----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:28:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.159185255000000 6.272797550000000 3.101689055000000 b 4.159185255000000 -6.272797550000000 3.101689055000000 c 4.159185255000000 6.272797550000000 -3.101689055000000 Atomic positions (fractional): *1 Si 0.31324714270949 0.29519158044353 0.48194443773405 28.085 2 Si 0.68675285729052 0.16869729502457 0.98194443773405 28.085 *3 Si 0.65645353672884 0.50224139634174 0.15421214038710 28.085 4 Si 0.31324714270949 0.83130270497543 0.01805556226595 28.085 5 Si 0.68675285729052 0.70480841955647 0.51805556226595 28.085 6 Si 0.84802925595463 0.50224139634174 0.34578785961290 28.085 7 Si 0.15197074404537 0.49775860365826 0.65421214038710 28.085 8 Si 0.34354646327116 0.49775860365826 0.84578785961290 28.085 *9 B 0.79746127545755 0.22339869958722 0.57406257587032 10.811 *10 B 0.38995807849213 0.11351958469295 0.49847514485421 10.811 11 B 0.88495556016126 0.10851706636208 0.99847514485421 10.811 12 B 0.61004192150787 0.88648041530705 0.50152485514579 10.811 13 B 0.20253872454245 0.77660130041277 0.42593742412968 10.811 14 B 0.61004192150787 0.10851706636208 0.72356150620082 10.811 *15 B 0.65582742483411 0.32987091460500 0.67705398516113 10.811 16 B 0.15281692944387 0.97877343967298 0.82294601483887 10.811 17 B 0.84718307055613 0.02122656032702 0.17705398516113 10.811 18 B 0.85066387628310 0.77660130041277 0.07406257587032 10.811 19 B 0.88495556016126 0.88648041530705 0.77643849379918 10.811 20 B 0.34417257516589 0.02122656032702 0.67404348977090 10.811 21 B 0.34417257516589 0.67012908539500 0.32294601483887 10.811 22 B 0.38995807849213 0.89148293363792 0.27643849379918 10.811 *23 B 0.70282390876535 0.77197561459734 0.93084829416801 10.811 24 B 0.34112732042932 0.77197561459734 0.56915170583199 10.811 25 B 0.15281692944387 0.32987091460500 0.17404348977089 10.811 26 B 0.11504443983874 0.89148293363792 0.00152485514579 10.811 27 B 0.65582742483411 0.97877343967298 0.32595651022910 10.811 28 B 0.29717609123465 0.22802438540266 0.06915170583199 10.811 29 B 0.65887267957068 0.22802438540266 0.43084829416801 10.811 30 B 0.11504443983874 0.11351958469295 0.22356150620082 10.811 31 B 0.14933612371690 0.22339869958722 0.92593742412968 10.811 32 B 0.84718307055613 0.67012908539500 0.82595651022910 10.811 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.318370509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.545595100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 6.203378109999999 Atomic positions (fractional): *1 Si 0.23194443773405 0.25000000000000 0.06324714270949 28.085 > 1 2 Si 0.23194443773405 0.75000000000000 0.93675285729052 28.085 > 2 *3 Si 0.00000000000000 0.15421214038710 0.50224139634174 28.085 > 3 4 Si 0.76805556226595 0.25000000000000 0.06324714270949 28.085 > 4 5 Si 0.76805556226595 0.75000000000000 0.93675285729052 28.085 > 5 6 Si 0.00000000000000 0.34578785961290 0.50224139634174 28.085 > 6 7 Si 0.00000000000000 0.65421214038710 0.49775860365826 28.085 > 7 8 Si 0.00000000000000 0.84578785961290 0.49775860365826 28.085 > 8 9 Si 0.73194443773405 0.75000000000000 0.56324714270948 28.085 > 1 10 Si 0.73194443773405 0.25000000000000 0.43675285729051 28.085 > 2 11 Si 0.50000000000000 0.65421214038710 0.00224139634174 28.085 > 3 12 Si 0.26805556226595 0.75000000000000 0.56324714270948 28.085 > 4 13 Si 0.26805556226595 0.25000000000000 0.43675285729051 28.085 > 5 14 Si 0.50000000000000 0.84578785961290 0.00224139634174 28.085 > 6 15 Si 0.50000000000000 0.15421214038710 0.99775860365826 28.085 > 7 16 Si 0.50000000000000 0.34578785961290 0.99775860365826 28.085 > 8 *17 B 0.00000000000000 0.57406257587032 0.22339869958722 10.811 > 9 *18 B 0.11101832552752 0.38745681932669 0.00250125916543 10.811 > 10 19 B 0.11101832552752 0.88745681932669 0.99749874083457 10.811 > 11 20 B 0.88898167447248 0.61254318067331 0.99749874083457 10.811 > 12 21 B 0.00000000000000 0.42593742412968 0.77660130041277 10.811 > 13 22 B 0.11101832552752 0.61254318067331 0.99749874083457 10.811 > 14 *23 B 0.17554873746601 0.50150524769512 0.15432217713899 10.811 > 15 24 B 0.32445126253399 0.49849475230488 0.65432217713899 10.811 > 16 25 B 0.67554873746601 0.50150524769512 0.34567782286101 10.811 > 17 26 B 0.00000000000000 0.07406257587032 0.77660130041277 10.811 > 18 27 B 0.88898167447248 0.88745681932669 0.99749874083457 10.811 > 19 28 B 0.17554873746601 0.49849475230488 0.84567782286101 10.811 > 20 29 B 0.82445126253399 0.49849475230488 0.84567782286101 10.811 > 21 30 B 0.88898167447248 0.38745681932669 0.00250125916543 10.811 > 22 *31 B 0.00000000000000 0.93084829416801 0.77197561459734 10.811 > 23 32 B 0.00000000000000 0.56915170583199 0.77197561459734 10.811 > 24 33 B 0.67554873746601 0.49849475230488 0.65432217713899 10.811 > 25 34 B 0.88898167447248 0.11254318067331 0.00250125916543 10.811 > 26 35 B 0.82445126253399 0.50150524769512 0.15432217713899 10.811 > 27 36 B 0.00000000000000 0.06915170583199 0.22802438540266 10.811 > 28 37 B 0.00000000000000 0.43084829416801 0.22802438540266 10.811 > 29 38 B 0.11101832552752 0.11254318067331 0.00250125916543 10.811 > 30 39 B 0.00000000000000 0.92593742412968 0.22339869958722 10.811 > 31 40 B 0.32445126253399 0.50150524769512 0.34567782286101 10.811 > 32 41 B 0.50000000000000 0.07406257587032 0.72339869958723 10.811 > 9 42 B 0.61101832552752 0.88745681932669 0.50250125916543 10.811 > 10 43 B 0.61101832552752 0.38745681932669 0.49749874083457 10.811 > 11 44 B 0.38898167447248 0.11254318067331 0.49749874083457 10.811 > 12 45 B 0.50000000000000 0.92593742412968 0.27660130041277 10.811 > 13 46 B 0.61101832552752 0.11254318067331 0.49749874083457 10.811 > 14 47 B 0.67554873746601 0.00150524769512 0.65432217713899 10.811 > 15 48 B 0.82445126253399 0.99849475230488 0.15432217713899 10.811 > 16 49 B 0.17554873746601 0.00150524769512 0.84567782286101 10.811 > 17 50 B 0.50000000000000 0.57406257587032 0.27660130041277 10.811 > 18 51 B 0.38898167447248 0.38745681932669 0.49749874083457 10.811 > 19 52 B 0.67554873746601 0.99849475230488 0.34567782286101 10.811 > 20 53 B 0.32445126253399 0.99849475230488 0.34567782286101 10.811 > 21 54 B 0.38898167447248 0.88745681932669 0.50250125916543 10.811 > 22 55 B 0.50000000000000 0.43084829416801 0.27197561459734 10.811 > 23 56 B 0.50000000000000 0.06915170583199 0.27197561459734 10.811 > 24 57 B 0.17554873746601 0.99849475230488 0.15432217713899 10.811 > 25 58 B 0.38898167447248 0.61254318067331 0.50250125916543 10.811 > 26 59 B 0.32445126253399 0.00150524769512 0.65432217713899 10.811 > 27 60 B 0.50000000000000 0.56915170583199 0.72802438540266 10.811 > 28 61 B 0.50000000000000 0.93084829416801 0.72802438540266 10.811 > 29 62 B 0.61101832552752 0.61254318067331 0.50250125916543 10.811 > 30 63 B 0.50000000000000 0.42593742412968 0.72339869958723 10.811 > 31 64 B 0.82445126253399 0.00150524769512 0.84567782286101 10.811 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.318370509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.545595100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.406756219999998 Atomic positions (fractional): *1 Si 0.23194443773405 0.25000000000000 0.03162357135474 28.085 > 1 2 Si 0.23194443773405 0.25000000000000 0.53162357135474 28.085 > 1 3 Si 0.23194443773405 0.75000000000000 0.46837642864526 28.085 > 2 4 Si 0.23194443773405 0.75000000000000 0.96837642864526 28.085 > 2 *5 Si 0.00000000000000 0.15421214038710 0.25112069817087 28.085 > 3 6 Si 0.00000000000000 0.15421214038710 0.75112069817087 28.085 > 3 7 Si 0.76805556226595 0.25000000000000 0.03162357135474 28.085 > 4 8 Si 0.76805556226595 0.25000000000000 0.53162357135474 28.085 > 4 9 Si 0.76805556226595 0.75000000000000 0.46837642864526 28.085 > 5 10 Si 0.76805556226595 0.75000000000000 0.96837642864526 28.085 > 5 11 Si 0.00000000000000 0.34578785961290 0.25112069817087 28.085 > 6 12 Si 0.00000000000000 0.34578785961290 0.75112069817087 28.085 > 6 13 Si 0.00000000000000 0.65421214038710 0.24887930182913 28.085 > 7 14 Si 0.00000000000000 0.65421214038710 0.74887930182913 28.085 > 7 15 Si 0.00000000000000 0.84578785961290 0.24887930182913 28.085 > 8 16 Si 0.00000000000000 0.84578785961290 0.74887930182913 28.085 > 8 17 Si 0.73194443773405 0.75000000000000 0.28162357135474 28.085 > 1 18 Si 0.73194443773405 0.75000000000000 0.78162357135474 28.085 > 1 19 Si 0.73194443773405 0.25000000000000 0.21837642864526 28.085 > 2 20 Si 0.73194443773405 0.25000000000000 0.71837642864526 28.085 > 2 21 Si 0.50000000000000 0.65421214038710 0.00112069817087 28.085 > 3 22 Si 0.50000000000000 0.65421214038710 0.50112069817087 28.085 > 3 23 Si 0.26805556226595 0.75000000000000 0.28162357135474 28.085 > 4 24 Si 0.26805556226595 0.75000000000000 0.78162357135474 28.085 > 4 25 Si 0.26805556226595 0.25000000000000 0.21837642864526 28.085 > 5 26 Si 0.26805556226595 0.25000000000000 0.71837642864526 28.085 > 5 27 Si 0.50000000000000 0.84578785961290 0.00112069817087 28.085 > 6 28 Si 0.50000000000000 0.84578785961290 0.50112069817087 28.085 > 6 29 Si 0.50000000000000 0.15421214038710 0.49887930182913 28.085 > 7 30 Si 0.50000000000000 0.15421214038710 0.99887930182913 28.085 > 7 31 Si 0.50000000000000 0.34578785961290 0.49887930182913 28.085 > 8 32 Si 0.50000000000000 0.34578785961290 0.99887930182913 28.085 > 8 *33 B 0.00000000000000 0.57406257587032 0.11169934979361 10.811 > 9 34 B 0.00000000000000 0.57406257587032 0.61169934979361 10.811 > 9 *35 B 0.11101832552752 0.38745681932669 0.00125062958272 10.811 > 10 36 B 0.11101832552752 0.38745681932669 0.50125062958272 10.811 > 10 37 B 0.11101832552752 0.88745681932669 0.49874937041728 10.811 > 11 38 B 0.11101832552752 0.88745681932669 0.99874937041728 10.811 > 11 39 B 0.88898167447248 0.61254318067331 0.49874937041728 10.811 > 12 40 B 0.88898167447248 0.61254318067331 0.99874937041728 10.811 > 12 41 B 0.00000000000000 0.42593742412968 0.38830065020639 10.811 > 13 42 B 0.00000000000000 0.42593742412968 0.88830065020639 10.811 > 13 43 B 0.11101832552752 0.61254318067331 0.49874937041728 10.811 > 14 44 B 0.11101832552752 0.61254318067331 0.99874937041728 10.811 > 14 *45 B 0.17554873746601 0.50150524769512 0.07716108856950 10.811 > 15 46 B 0.17554873746601 0.50150524769512 0.57716108856950 10.811 > 15 47 B 0.32445126253399 0.49849475230488 0.32716108856950 10.811 > 16 48 B 0.32445126253399 0.49849475230488 0.82716108856950 10.811 > 16 49 B 0.67554873746601 0.50150524769512 0.17283891143050 10.811 > 17 50 B 0.67554873746601 0.50150524769512 0.67283891143050 10.811 > 17 51 B 0.00000000000000 0.07406257587032 0.38830065020639 10.811 > 18 52 B 0.00000000000000 0.07406257587032 0.88830065020639 10.811 > 18 53 B 0.88898167447248 0.88745681932669 0.49874937041728 10.811 > 19 54 B 0.88898167447248 0.88745681932669 0.99874937041728 10.811 > 19 55 B 0.17554873746601 0.49849475230488 0.42283891143050 10.811 > 20 56 B 0.17554873746601 0.49849475230488 0.92283891143050 10.811 > 20 57 B 0.82445126253399 0.49849475230488 0.42283891143050 10.811 > 21 58 B 0.82445126253399 0.49849475230488 0.92283891143050 10.811 > 21 59 B 0.88898167447248 0.38745681932669 0.00125062958272 10.811 > 22 60 B 0.88898167447248 0.38745681932669 0.50125062958272 10.811 > 22 *61 B 0.00000000000000 0.93084829416801 0.38598780729867 10.811 > 23 62 B 0.00000000000000 0.93084829416801 0.88598780729867 10.811 > 23 63 B 0.00000000000000 0.56915170583199 0.38598780729867 10.811 > 24 64 B 0.00000000000000 0.56915170583199 0.88598780729867 10.811 > 24 65 B 0.67554873746601 0.49849475230488 0.32716108856950 10.811 > 25 66 B 0.67554873746601 0.49849475230488 0.82716108856950 10.811 > 25 67 B 0.88898167447248 0.11254318067331 0.00125062958272 10.811 > 26 68 B 0.88898167447248 0.11254318067331 0.50125062958272 10.811 > 26 69 B 0.82445126253399 0.50150524769512 0.07716108856950 10.811 > 27 70 B 0.82445126253399 0.50150524769512 0.57716108856950 10.811 > 27 71 B 0.00000000000000 0.06915170583199 0.11401219270133 10.811 > 28 72 B 0.00000000000000 0.06915170583199 0.61401219270133 10.811 > 28 73 B 0.00000000000000 0.43084829416801 0.11401219270133 10.811 > 29 74 B 0.00000000000000 0.43084829416801 0.61401219270133 10.811 > 29 75 B 0.11101832552752 0.11254318067331 0.00125062958272 10.811 > 30 76 B 0.11101832552752 0.11254318067331 0.50125062958272 10.811 > 30 77 B 0.00000000000000 0.92593742412968 0.11169934979361 10.811 > 31 78 B 0.00000000000000 0.92593742412968 0.61169934979361 10.811 > 31 79 B 0.32445126253399 0.50150524769512 0.17283891143050 10.811 > 32 80 B 0.32445126253399 0.50150524769512 0.67283891143050 10.811 > 32 81 B 0.50000000000000 0.07406257587032 0.36169934979361 10.811 > 9 82 B 0.50000000000000 0.07406257587032 0.86169934979361 10.811 > 9 83 B 0.61101832552752 0.88745681932669 0.25125062958272 10.811 > 10 84 B 0.61101832552752 0.88745681932669 0.75125062958272 10.811 > 10 85 B 0.61101832552752 0.38745681932669 0.24874937041728 10.811 > 11 86 B 0.61101832552752 0.38745681932669 0.74874937041728 10.811 > 11 87 B 0.38898167447248 0.11254318067331 0.24874937041728 10.811 > 12 88 B 0.38898167447248 0.11254318067331 0.74874937041728 10.811 > 12 89 B 0.50000000000000 0.92593742412968 0.13830065020639 10.811 > 13 90 B 0.50000000000000 0.92593742412968 0.63830065020639 10.811 > 13 91 B 0.61101832552752 0.11254318067331 0.24874937041728 10.811 > 14 92 B 0.61101832552752 0.11254318067331 0.74874937041728 10.811 > 14 93 B 0.67554873746601 0.00150524769512 0.32716108856950 10.811 > 15 94 B 0.67554873746601 0.00150524769512 0.82716108856950 10.811 > 15 95 B 0.82445126253399 0.99849475230488 0.07716108856950 10.811 > 16 96 B 0.82445126253399 0.99849475230488 0.57716108856950 10.811 > 16 97 B 0.17554873746601 0.00150524769512 0.42283891143050 10.811 > 17 98 B 0.17554873746601 0.00150524769512 0.92283891143050 10.811 > 17 99 B 0.50000000000000 0.57406257587032 0.13830065020639 10.811 > 18 100 B 0.50000000000000 0.57406257587032 0.63830065020639 10.811 > 18 101 B 0.38898167447248 0.38745681932669 0.24874937041728 10.811 > 19 102 B 0.38898167447248 0.38745681932669 0.74874937041728 10.811 > 19 103 B 0.67554873746601 0.99849475230488 0.17283891143050 10.811 > 20 104 B 0.67554873746601 0.99849475230488 0.67283891143050 10.811 > 20 105 B 0.32445126253399 0.99849475230488 0.17283891143050 10.811 > 21 106 B 0.32445126253399 0.99849475230488 0.67283891143050 10.811 > 21 107 B 0.38898167447248 0.88745681932669 0.25125062958272 10.811 > 22 108 B 0.38898167447248 0.88745681932669 0.75125062958272 10.811 > 22 109 B 0.50000000000000 0.43084829416801 0.13598780729867 10.811 > 23 110 B 0.50000000000000 0.43084829416801 0.63598780729867 10.811 > 23 111 B 0.50000000000000 0.06915170583199 0.13598780729867 10.811 > 24 112 B 0.50000000000000 0.06915170583199 0.63598780729867 10.811 > 24 113 B 0.17554873746601 0.99849475230488 0.07716108856950 10.811 > 25 114 B 0.17554873746601 0.99849475230488 0.57716108856950 10.811 > 25 115 B 0.38898167447248 0.61254318067331 0.25125062958272 10.811 > 26 116 B 0.38898167447248 0.61254318067331 0.75125062958272 10.811 > 26 117 B 0.32445126253399 0.00150524769512 0.32716108856950 10.811 > 27 118 B 0.32445126253399 0.00150524769512 0.82716108856950 10.811 > 27 119 B 0.50000000000000 0.56915170583199 0.36401219270133 10.811 > 28 120 B 0.50000000000000 0.56915170583199 0.86401219270133 10.811 > 28 121 B 0.50000000000000 0.93084829416801 0.36401219270133 10.811 > 29 122 B 0.50000000000000 0.93084829416801 0.86401219270133 10.811 > 29 123 B 0.61101832552752 0.61254318067331 0.25125062958272 10.811 > 30 124 B 0.61101832552752 0.61254318067331 0.75125062958272 10.811 > 30 125 B 0.50000000000000 0.42593742412968 0.36169934979361 10.811 > 31 126 B 0.50000000000000 0.42593742412968 0.86169934979361 10.811 > 31 127 B 0.82445126253399 0.00150524769512 0.42283891143050 10.811 > 32 128 B 0.82445126253399 0.00150524769512 0.92283891143050 10.811 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6324014 0.0000000 0.0000000 0.0000000 11.3611698 0.0000000 0.0000000 0.0000000 9.0913710 -------------------------- Born effective charges -------------------------- 1 Si 0.3617879 0.0000000 -0.6025006 0.0000000 -0.2177096 -0.0000000 0.0623023 -0.0000000 0.7308146 2 Si 0.3617879 0.0000000 0.6025006 0.0000000 -0.2177096 -0.0000000 -0.0623023 -0.0000000 0.7308146 3 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 -0.5323495 0.0000000 -0.5109383 0.9304316 4 Si 0.3617879 0.0000000 0.6025006 0.0000000 -0.2177096 -0.0000000 -0.0623023 -0.0000000 0.7308146 5 Si 0.3617879 0.0000000 -0.6025006 0.0000000 -0.2177096 -0.0000000 0.0623023 -0.0000000 0.7308146 6 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 0.5323495 0.0000000 0.5109383 0.9304316 7 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 0.5323495 0.0000000 0.5109383 0.9304316 8 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 -0.5323495 0.0000000 -0.5109383 0.9304316 9 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 0.5185716 0.0000000 0.3173376 -0.0733041 10 B -0.2706693 -1.4193488 0.2808285 0.0135421 0.2398818 -0.2475140 0.0241722 -0.1376545 -0.4676542 11 B -0.2706693 -1.4193488 -0.2808285 0.0135421 0.2398818 0.2475140 -0.0241722 0.1376545 -0.4676542 12 B -0.2706693 -1.4193488 0.2808285 0.0135421 0.2398818 -0.2475140 0.0241722 -0.1376545 -0.4676542 13 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 0.5185716 0.0000000 0.3173376 -0.0733041 14 B -0.2706693 1.4193488 -0.2808285 -0.0135421 0.2398818 -0.2475140 -0.0241722 -0.1376545 -0.4676542 15 B -0.0002559 -0.0983824 0.4642268 0.0801454 -0.4321488 -0.0167652 0.1726837 -0.0547077 -0.1314259 16 B -0.0002559 -0.0983824 -0.4642268 0.0801454 -0.4321488 0.0167652 -0.1726837 0.0547077 -0.1314259 17 B -0.0002559 -0.0983824 -0.4642268 0.0801454 -0.4321488 0.0167652 -0.1726837 0.0547077 -0.1314259 18 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 -0.5185716 0.0000000 -0.3173376 -0.0733041 19 B -0.2706693 1.4193488 0.2808285 -0.0135421 0.2398818 0.2475140 0.0241722 0.1376545 -0.4676542 20 B -0.0002559 0.0983824 -0.4642268 -0.0801454 -0.4321488 -0.0167652 -0.1726837 -0.0547077 -0.1314259 21 B -0.0002559 -0.0983824 0.4642268 0.0801454 -0.4321488 -0.0167652 0.1726837 -0.0547077 -0.1314259 22 B -0.2706693 1.4193488 -0.2808285 -0.0135421 0.2398818 -0.2475140 -0.0241722 -0.1376545 -0.4676542 23 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 0.5145853 0.0000000 0.2061455 -0.3897819 24 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 -0.5145853 0.0000000 -0.2061455 -0.3897819 25 B -0.0002559 0.0983824 0.4642268 -0.0801454 -0.4321488 0.0167652 0.1726837 0.0547077 -0.1314259 26 B -0.2706693 -1.4193488 -0.2808285 0.0135421 0.2398818 0.2475140 -0.0241722 0.1376545 -0.4676542 27 B -0.0002559 0.0983824 -0.4642268 -0.0801454 -0.4321488 -0.0167652 -0.1726837 -0.0547077 -0.1314259 28 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 0.5145853 0.0000000 0.2061455 -0.3897819 29 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 -0.5145853 0.0000000 -0.2061455 -0.3897819 30 B -0.2706693 1.4193488 0.2808285 -0.0135421 0.2398818 0.2475140 0.0241722 0.1376545 -0.4676542 31 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 -0.5185716 0.0000000 -0.3173376 -0.0733041 32 B -0.0002559 0.0983824 0.4642268 -0.0801454 -0.4321488 0.0167652 0.1726837 0.0547077 -0.1314259 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 24288/24288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2488 Number of blocks in projector: 2488 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 240 eigenvectors found. (2) Block: 500 / 576 (2) 242 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2450), data: False |-- (344, 338), data: True |-- (344, 338), data: True |-- (344, 338), data: True |-- (432, 428), data: True |-- (448, 442), data: True |-- (576, 566), data: False |-- (576, 566), data: False |-- (576, 16), data: (576, 26) @ (26, 16) |-- (76, 68), data: True |-- (250, 242), data: True |-- (250, 240), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.906 Solver_block: 200 / 480 - Time: 0.777 Solver_block: 300 / 480 - Time: 0.788 Solver_block: 400 / 480 - Time: 0.781 Solver_block: 480 / 480 - Time: 0.650 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.996 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 24288/24288 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2488 Number of blocks in projector: 2488 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: 576 Use submatrix version of eigh solver. (1) Block: 576 / 576 (2) Block: 250 / 576 (2) 240 eigenvectors found. (2) Block: 500 / 576 (2) 242 eigenvectors found. (2) Block: 576 / 576 (2) 68 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 448 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 432 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 344 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 344 Use standard eigh solver. Tree of FC basis block matrices: - (2488, 2450), data: False |-- (344, 338), data: True |-- (344, 338), data: True |-- (344, 338), data: True |-- (432, 428), data: True |-- (448, 442), data: True |-- (576, 566), data: False |-- (576, 566), data: False |-- (576, 16), data: (576, 26) @ (26, 16) |-- (76, 68), data: True |-- (250, 242), data: True |-- (250, 240), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:29:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:29:02]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.159185255000000 6.272797550000000 3.101689055000000 b 4.159185255000000 -6.272797550000000 3.101689055000000 c 4.159185255000000 6.272797550000000 -3.101689055000000 Atomic positions (fractional): 1 Si 0.31324714270949 0.29519158044353 0.48194443773405 28.085 2 Si 0.68675285729052 0.16869729502457 0.98194443773405 28.085 3 Si 0.65645353672884 0.50224139634174 0.15421214038710 28.085 4 Si 0.31324714270949 0.83130270497543 0.01805556226595 28.085 5 Si 0.68675285729052 0.70480841955647 0.51805556226595 28.085 6 Si 0.84802925595463 0.50224139634174 0.34578785961290 28.085 7 Si 0.15197074404537 0.49775860365826 0.65421214038710 28.085 8 Si 0.34354646327116 0.49775860365826 0.84578785961290 28.085 9 B 0.79746127545755 0.22339869958722 0.57406257587032 10.811 10 B 0.38995807849213 0.11351958469295 0.49847514485421 10.811 11 B 0.88495556016126 0.10851706636208 0.99847514485421 10.811 12 B 0.61004192150787 0.88648041530705 0.50152485514579 10.811 13 B 0.20253872454245 0.77660130041277 0.42593742412968 10.811 14 B 0.61004192150787 0.10851706636208 0.72356150620082 10.811 15 B 0.65582742483411 0.32987091460500 0.67705398516113 10.811 16 B 0.15281692944387 0.97877343967298 0.82294601483887 10.811 17 B 0.84718307055613 0.02122656032702 0.17705398516113 10.811 18 B 0.85066387628310 0.77660130041277 0.07406257587032 10.811 19 B 0.88495556016126 0.88648041530705 0.77643849379918 10.811 20 B 0.34417257516589 0.02122656032702 0.67404348977090 10.811 21 B 0.34417257516589 0.67012908539500 0.32294601483887 10.811 22 B 0.38995807849213 0.89148293363792 0.27643849379918 10.811 23 B 0.70282390876535 0.77197561459734 0.93084829416801 10.811 24 B 0.34112732042932 0.77197561459734 0.56915170583199 10.811 25 B 0.15281692944387 0.32987091460500 0.17404348977089 10.811 26 B 0.11504443983874 0.89148293363792 0.00152485514579 10.811 27 B 0.65582742483411 0.97877343967298 0.32595651022910 10.811 28 B 0.29717609123465 0.22802438540266 0.06915170583199 10.811 29 B 0.65887267957068 0.22802438540266 0.43084829416801 10.811 30 B 0.11504443983874 0.11351958469295 0.22356150620082 10.811 31 B 0.14933612371690 0.22339869958722 0.92593742412968 10.811 32 B 0.84718307055613 0.67012908539500 0.82595651022910 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.318370509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.545595100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.406756219999998 Atomic positions (fractional): 1 Si 0.23194443773405 0.25000000000000 0.03162357135474 28.085 > 1 2 Si 0.23194443773405 0.25000000000000 0.53162357135474 28.085 > 1 3 Si 0.23194443773405 0.75000000000000 0.46837642864526 28.085 > 3 4 Si 0.23194443773405 0.75000000000000 0.96837642864526 28.085 > 3 5 Si 0.00000000000000 0.15421214038710 0.25112069817087 28.085 > 5 6 Si 0.00000000000000 0.15421214038710 0.75112069817087 28.085 > 5 7 Si 0.76805556226595 0.25000000000000 0.03162357135474 28.085 > 7 8 Si 0.76805556226595 0.25000000000000 0.53162357135474 28.085 > 7 9 Si 0.76805556226595 0.75000000000000 0.46837642864526 28.085 > 9 10 Si 0.76805556226595 0.75000000000000 0.96837642864526 28.085 > 9 11 Si 0.00000000000000 0.34578785961290 0.25112069817087 28.085 > 11 12 Si 0.00000000000000 0.34578785961290 0.75112069817087 28.085 > 11 13 Si 0.00000000000000 0.65421214038710 0.24887930182913 28.085 > 13 14 Si 0.00000000000000 0.65421214038710 0.74887930182913 28.085 > 13 15 Si 0.00000000000000 0.84578785961290 0.24887930182913 28.085 > 15 16 Si 0.00000000000000 0.84578785961290 0.74887930182913 28.085 > 15 17 Si 0.73194443773405 0.75000000000000 0.28162357135474 28.085 > 1 18 Si 0.73194443773405 0.75000000000000 0.78162357135474 28.085 > 1 19 Si 0.73194443773405 0.25000000000000 0.21837642864526 28.085 > 3 20 Si 0.73194443773405 0.25000000000000 0.71837642864526 28.085 > 3 21 Si 0.50000000000000 0.65421214038710 0.00112069817087 28.085 > 5 22 Si 0.50000000000000 0.65421214038710 0.50112069817087 28.085 > 5 23 Si 0.26805556226595 0.75000000000000 0.28162357135474 28.085 > 7 24 Si 0.26805556226595 0.75000000000000 0.78162357135474 28.085 > 7 25 Si 0.26805556226595 0.25000000000000 0.21837642864526 28.085 > 9 26 Si 0.26805556226595 0.25000000000000 0.71837642864526 28.085 > 9 27 Si 0.50000000000000 0.84578785961290 0.00112069817087 28.085 > 11 28 Si 0.50000000000000 0.84578785961290 0.50112069817087 28.085 > 11 29 Si 0.50000000000000 0.15421214038710 0.49887930182913 28.085 > 13 30 Si 0.50000000000000 0.15421214038710 0.99887930182913 28.085 > 13 31 Si 0.50000000000000 0.34578785961290 0.49887930182913 28.085 > 15 32 Si 0.50000000000000 0.34578785961290 0.99887930182913 28.085 > 15 33 B 0.00000000000000 0.57406257587032 0.11169934979361 10.811 > 33 34 B 0.00000000000000 0.57406257587032 0.61169934979361 10.811 > 33 35 B 0.11101832552752 0.38745681932669 0.00125062958272 10.811 > 35 36 B 0.11101832552752 0.38745681932669 0.50125062958272 10.811 > 35 37 B 0.11101832552752 0.88745681932669 0.49874937041728 10.811 > 37 38 B 0.11101832552752 0.88745681932669 0.99874937041728 10.811 > 37 39 B 0.88898167447248 0.61254318067331 0.49874937041728 10.811 > 39 40 B 0.88898167447248 0.61254318067331 0.99874937041728 10.811 > 39 41 B 0.00000000000000 0.42593742412968 0.38830065020639 10.811 > 41 42 B 0.00000000000000 0.42593742412968 0.88830065020639 10.811 > 41 43 B 0.11101832552752 0.61254318067331 0.49874937041728 10.811 > 43 44 B 0.11101832552752 0.61254318067331 0.99874937041728 10.811 > 43 45 B 0.17554873746601 0.50150524769512 0.07716108856950 10.811 > 45 46 B 0.17554873746601 0.50150524769512 0.57716108856950 10.811 > 45 47 B 0.32445126253399 0.49849475230488 0.32716108856950 10.811 > 47 48 B 0.32445126253399 0.49849475230488 0.82716108856950 10.811 > 47 49 B 0.67554873746601 0.50150524769512 0.17283891143050 10.811 > 49 50 B 0.67554873746601 0.50150524769512 0.67283891143050 10.811 > 49 51 B 0.00000000000000 0.07406257587032 0.38830065020639 10.811 > 51 52 B 0.00000000000000 0.07406257587032 0.88830065020639 10.811 > 51 53 B 0.88898167447248 0.88745681932669 0.49874937041728 10.811 > 53 54 B 0.88898167447248 0.88745681932669 0.99874937041728 10.811 > 53 55 B 0.17554873746601 0.49849475230488 0.42283891143050 10.811 > 55 56 B 0.17554873746601 0.49849475230488 0.92283891143050 10.811 > 55 57 B 0.82445126253399 0.49849475230488 0.42283891143050 10.811 > 57 58 B 0.82445126253399 0.49849475230488 0.92283891143050 10.811 > 57 59 B 0.88898167447248 0.38745681932669 0.00125062958272 10.811 > 59 60 B 0.88898167447248 0.38745681932669 0.50125062958272 10.811 > 59 61 B 0.00000000000000 0.93084829416801 0.38598780729867 10.811 > 61 62 B 0.00000000000000 0.93084829416801 0.88598780729867 10.811 > 61 63 B 0.00000000000000 0.56915170583199 0.38598780729867 10.811 > 63 64 B 0.00000000000000 0.56915170583199 0.88598780729867 10.811 > 63 65 B 0.67554873746601 0.49849475230488 0.32716108856950 10.811 > 65 66 B 0.67554873746601 0.49849475230488 0.82716108856950 10.811 > 65 67 B 0.88898167447248 0.11254318067331 0.00125062958272 10.811 > 67 68 B 0.88898167447248 0.11254318067331 0.50125062958272 10.811 > 67 69 B 0.82445126253399 0.50150524769512 0.07716108856950 10.811 > 69 70 B 0.82445126253399 0.50150524769512 0.57716108856950 10.811 > 69 71 B 0.00000000000000 0.06915170583199 0.11401219270133 10.811 > 71 72 B 0.00000000000000 0.06915170583199 0.61401219270133 10.811 > 71 73 B 0.00000000000000 0.43084829416801 0.11401219270133 10.811 > 73 74 B 0.00000000000000 0.43084829416801 0.61401219270133 10.811 > 73 75 B 0.11101832552752 0.11254318067331 0.00125062958272 10.811 > 75 76 B 0.11101832552752 0.11254318067331 0.50125062958272 10.811 > 75 77 B 0.00000000000000 0.92593742412968 0.11169934979361 10.811 > 77 78 B 0.00000000000000 0.92593742412968 0.61169934979361 10.811 > 77 79 B 0.32445126253399 0.50150524769512 0.17283891143050 10.811 > 79 80 B 0.32445126253399 0.50150524769512 0.67283891143050 10.811 > 79 81 B 0.50000000000000 0.07406257587032 0.36169934979361 10.811 > 33 82 B 0.50000000000000 0.07406257587032 0.86169934979361 10.811 > 33 83 B 0.61101832552752 0.88745681932669 0.25125062958272 10.811 > 35 84 B 0.61101832552752 0.88745681932669 0.75125062958272 10.811 > 35 85 B 0.61101832552752 0.38745681932669 0.24874937041728 10.811 > 37 86 B 0.61101832552752 0.38745681932669 0.74874937041728 10.811 > 37 87 B 0.38898167447248 0.11254318067331 0.24874937041728 10.811 > 39 88 B 0.38898167447248 0.11254318067331 0.74874937041728 10.811 > 39 89 B 0.50000000000000 0.92593742412968 0.13830065020639 10.811 > 41 90 B 0.50000000000000 0.92593742412968 0.63830065020639 10.811 > 41 91 B 0.61101832552752 0.11254318067331 0.24874937041728 10.811 > 43 92 B 0.61101832552752 0.11254318067331 0.74874937041728 10.811 > 43 93 B 0.67554873746601 0.00150524769512 0.32716108856950 10.811 > 45 94 B 0.67554873746601 0.00150524769512 0.82716108856950 10.811 > 45 95 B 0.82445126253399 0.99849475230488 0.07716108856950 10.811 > 47 96 B 0.82445126253399 0.99849475230488 0.57716108856950 10.811 > 47 97 B 0.17554873746601 0.00150524769512 0.42283891143050 10.811 > 49 98 B 0.17554873746601 0.00150524769512 0.92283891143050 10.811 > 49 99 B 0.50000000000000 0.57406257587032 0.13830065020639 10.811 > 51 100 B 0.50000000000000 0.57406257587032 0.63830065020639 10.811 > 51 101 B 0.38898167447248 0.38745681932669 0.24874937041728 10.811 > 53 102 B 0.38898167447248 0.38745681932669 0.74874937041728 10.811 > 53 103 B 0.67554873746601 0.99849475230488 0.17283891143050 10.811 > 55 104 B 0.67554873746601 0.99849475230488 0.67283891143050 10.811 > 55 105 B 0.32445126253399 0.99849475230488 0.17283891143050 10.811 > 57 106 B 0.32445126253399 0.99849475230488 0.67283891143050 10.811 > 57 107 B 0.38898167447248 0.88745681932669 0.25125062958272 10.811 > 59 108 B 0.38898167447248 0.88745681932669 0.75125062958272 10.811 > 59 109 B 0.50000000000000 0.43084829416801 0.13598780729867 10.811 > 61 110 B 0.50000000000000 0.43084829416801 0.63598780729867 10.811 > 61 111 B 0.50000000000000 0.06915170583199 0.13598780729867 10.811 > 63 112 B 0.50000000000000 0.06915170583199 0.63598780729867 10.811 > 63 113 B 0.17554873746601 0.99849475230488 0.07716108856950 10.811 > 65 114 B 0.17554873746601 0.99849475230488 0.57716108856950 10.811 > 65 115 B 0.38898167447248 0.61254318067331 0.25125062958272 10.811 > 67 116 B 0.38898167447248 0.61254318067331 0.75125062958272 10.811 > 67 117 B 0.32445126253399 0.00150524769512 0.32716108856950 10.811 > 69 118 B 0.32445126253399 0.00150524769512 0.82716108856950 10.811 > 69 119 B 0.50000000000000 0.56915170583199 0.36401219270133 10.811 > 71 120 B 0.50000000000000 0.56915170583199 0.86401219270133 10.811 > 71 121 B 0.50000000000000 0.93084829416801 0.36401219270133 10.811 > 73 122 B 0.50000000000000 0.93084829416801 0.86401219270133 10.811 > 73 123 B 0.61101832552752 0.61254318067331 0.25125062958272 10.811 > 75 124 B 0.61101832552752 0.61254318067331 0.75125062958272 10.811 > 75 125 B 0.50000000000000 0.42593742412968 0.36169934979361 10.811 > 77 126 B 0.50000000000000 0.42593742412968 0.86169934979361 10.811 > 77 127 B 0.82445126253399 0.00150524769512 0.42283891143050 10.811 > 79 128 B 0.82445126253399 0.00150524769512 0.92283891143050 10.811 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 12.6324014 0.0000000 0.0000000 0.0000000 11.3611698 0.0000000 0.0000000 0.0000000 9.0913710 -------------------------- Born effective charges -------------------------- 1 Si 0.3617879 0.0000000 -0.6025006 0.0000000 -0.2177096 -0.0000000 0.0623023 -0.0000000 0.7308146 2 Si 0.3617879 0.0000000 0.6025006 0.0000000 -0.2177096 -0.0000000 -0.0623023 -0.0000000 0.7308146 3 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 -0.5323495 0.0000000 -0.5109383 0.9304316 4 Si 0.3617879 0.0000000 0.6025006 0.0000000 -0.2177096 -0.0000000 -0.0623023 -0.0000000 0.7308146 5 Si 0.3617879 0.0000000 -0.6025006 0.0000000 -0.2177096 -0.0000000 0.0623023 -0.0000000 0.7308146 6 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 0.5323495 0.0000000 0.5109383 0.9304316 7 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 0.5323495 0.0000000 0.5109383 0.9304316 8 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 -0.5323495 0.0000000 -0.5109383 0.9304316 9 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 0.5185716 0.0000000 0.3173376 -0.0733041 10 B -0.2706693 -1.4193488 0.2808285 0.0135421 0.2398818 -0.2475140 0.0241722 -0.1376545 -0.4676542 11 B -0.2706693 -1.4193488 -0.2808285 0.0135421 0.2398818 0.2475140 -0.0241722 0.1376545 -0.4676542 12 B -0.2706693 -1.4193488 0.2808285 0.0135421 0.2398818 -0.2475140 0.0241722 -0.1376545 -0.4676542 13 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 0.5185716 0.0000000 0.3173376 -0.0733041 14 B -0.2706693 1.4193488 -0.2808285 -0.0135421 0.2398818 -0.2475140 -0.0241722 -0.1376545 -0.4676542 15 B -0.0002559 -0.0983824 0.4642268 0.0801454 -0.4321488 -0.0167652 0.1726837 -0.0547077 -0.1314259 16 B -0.0002559 -0.0983824 -0.4642268 0.0801454 -0.4321488 0.0167652 -0.1726837 0.0547077 -0.1314259 17 B -0.0002559 -0.0983824 -0.4642268 0.0801454 -0.4321488 0.0167652 -0.1726837 0.0547077 -0.1314259 18 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 -0.5185716 0.0000000 -0.3173376 -0.0733041 19 B -0.2706693 1.4193488 0.2808285 -0.0135421 0.2398818 0.2475140 0.0241722 0.1376545 -0.4676542 20 B -0.0002559 0.0983824 -0.4642268 -0.0801454 -0.4321488 -0.0167652 -0.1726837 -0.0547077 -0.1314259 21 B -0.0002559 -0.0983824 0.4642268 0.0801454 -0.4321488 -0.0167652 0.1726837 -0.0547077 -0.1314259 22 B -0.2706693 1.4193488 -0.2808285 -0.0135421 0.2398818 -0.2475140 -0.0241722 -0.1376545 -0.4676542 23 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 0.5145853 0.0000000 0.2061455 -0.3897819 24 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 -0.5145853 0.0000000 -0.2061455 -0.3897819 25 B -0.0002559 0.0983824 0.4642268 -0.0801454 -0.4321488 0.0167652 0.1726837 0.0547077 -0.1314259 26 B -0.2706693 -1.4193488 -0.2808285 0.0135421 0.2398818 0.2475140 -0.0241722 0.1376545 -0.4676542 27 B -0.0002559 0.0983824 -0.4642268 -0.0801454 -0.4321488 -0.0167652 -0.1726837 -0.0547077 -0.1314259 28 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 0.5145853 0.0000000 0.2061455 -0.3897819 29 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 -0.5145853 0.0000000 -0.2061455 -0.3897819 30 B -0.2706693 1.4193488 0.2808285 -0.0135421 0.2398818 0.2475140 0.0241722 0.1376545 -0.4676542 31 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 -0.5185716 0.0000000 -0.3173376 -0.0733041 32 B -0.0002559 0.0983824 0.4642268 -0.0801454 -0.4321488 0.0167652 0.1726837 0.0547077 -0.1314259 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xz) 0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:29:33]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:29:33]------------------------- 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 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: Imma (74) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.159185255000000 6.272797550000000 3.101689055000000 b 4.159185255000000 -6.272797550000000 3.101689055000000 c 4.159185255000000 6.272797550000000 -3.101689055000000 Atomic positions (fractional): 1 Si 0.31324714270949 0.29519158044353 0.48194443773405 28.085 2 Si 0.68675285729052 0.16869729502457 0.98194443773405 28.085 3 Si 0.65645353672884 0.50224139634174 0.15421214038710 28.085 4 Si 0.31324714270949 0.83130270497543 0.01805556226595 28.085 5 Si 0.68675285729052 0.70480841955647 0.51805556226595 28.085 6 Si 0.84802925595463 0.50224139634174 0.34578785961290 28.085 7 Si 0.15197074404537 0.49775860365826 0.65421214038710 28.085 8 Si 0.34354646327116 0.49775860365826 0.84578785961290 28.085 9 B 0.79746127545755 0.22339869958722 0.57406257587032 10.811 10 B 0.38995807849213 0.11351958469295 0.49847514485421 10.811 11 B 0.88495556016126 0.10851706636208 0.99847514485421 10.811 12 B 0.61004192150787 0.88648041530705 0.50152485514579 10.811 13 B 0.20253872454245 0.77660130041277 0.42593742412968 10.811 14 B 0.61004192150787 0.10851706636208 0.72356150620082 10.811 15 B 0.65582742483411 0.32987091460500 0.67705398516113 10.811 16 B 0.15281692944387 0.97877343967298 0.82294601483887 10.811 17 B 0.84718307055613 0.02122656032702 0.17705398516113 10.811 18 B 0.85066387628310 0.77660130041277 0.07406257587032 10.811 19 B 0.88495556016126 0.88648041530705 0.77643849379918 10.811 20 B 0.34417257516589 0.02122656032702 0.67404348977090 10.811 21 B 0.34417257516589 0.67012908539500 0.32294601483887 10.811 22 B 0.38995807849213 0.89148293363792 0.27643849379918 10.811 23 B 0.70282390876535 0.77197561459734 0.93084829416801 10.811 24 B 0.34112732042932 0.77197561459734 0.56915170583199 10.811 25 B 0.15281692944387 0.32987091460500 0.17404348977089 10.811 26 B 0.11504443983874 0.89148293363792 0.00152485514579 10.811 27 B 0.65582742483411 0.97877343967298 0.32595651022910 10.811 28 B 0.29717609123465 0.22802438540266 0.06915170583199 10.811 29 B 0.65887267957068 0.22802438540266 0.43084829416801 10.811 30 B 0.11504443983874 0.11351958469295 0.22356150620082 10.811 31 B 0.14933612371690 0.22339869958722 0.92593742412968 10.811 32 B 0.84718307055613 0.67012908539500 0.82595651022910 10.811 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.318370509999999 0.000000000000000 0.000000000000000 b 0.000000000000000 12.545595100000000 0.000000000000000 c 0.000000000000000 0.000000000000000 12.406756219999998 Atomic positions (fractional): 1 Si 0.23194443773405 0.25000000000000 0.03162357135474 28.085 > 1 2 Si 0.23194443773405 0.25000000000000 0.53162357135474 28.085 > 1 3 Si 0.23194443773405 0.75000000000000 0.46837642864526 28.085 > 3 4 Si 0.23194443773405 0.75000000000000 0.96837642864526 28.085 > 3 5 Si 0.00000000000000 0.15421214038710 0.25112069817087 28.085 > 5 6 Si 0.00000000000000 0.15421214038710 0.75112069817087 28.085 > 5 7 Si 0.76805556226595 0.25000000000000 0.03162357135474 28.085 > 7 8 Si 0.76805556226595 0.25000000000000 0.53162357135474 28.085 > 7 9 Si 0.76805556226595 0.75000000000000 0.46837642864526 28.085 > 9 10 Si 0.76805556226595 0.75000000000000 0.96837642864526 28.085 > 9 11 Si 0.00000000000000 0.34578785961290 0.25112069817087 28.085 > 11 12 Si 0.00000000000000 0.34578785961290 0.75112069817087 28.085 > 11 13 Si 0.00000000000000 0.65421214038710 0.24887930182913 28.085 > 13 14 Si 0.00000000000000 0.65421214038710 0.74887930182913 28.085 > 13 15 Si 0.00000000000000 0.84578785961290 0.24887930182913 28.085 > 15 16 Si 0.00000000000000 0.84578785961290 0.74887930182913 28.085 > 15 17 Si 0.73194443773405 0.75000000000000 0.28162357135474 28.085 > 1 18 Si 0.73194443773405 0.75000000000000 0.78162357135474 28.085 > 1 19 Si 0.73194443773405 0.25000000000000 0.21837642864526 28.085 > 3 20 Si 0.73194443773405 0.25000000000000 0.71837642864526 28.085 > 3 21 Si 0.50000000000000 0.65421214038710 0.00112069817087 28.085 > 5 22 Si 0.50000000000000 0.65421214038710 0.50112069817087 28.085 > 5 23 Si 0.26805556226595 0.75000000000000 0.28162357135474 28.085 > 7 24 Si 0.26805556226595 0.75000000000000 0.78162357135474 28.085 > 7 25 Si 0.26805556226595 0.25000000000000 0.21837642864526 28.085 > 9 26 Si 0.26805556226595 0.25000000000000 0.71837642864526 28.085 > 9 27 Si 0.50000000000000 0.84578785961290 0.00112069817087 28.085 > 11 28 Si 0.50000000000000 0.84578785961290 0.50112069817087 28.085 > 11 29 Si 0.50000000000000 0.15421214038710 0.49887930182913 28.085 > 13 30 Si 0.50000000000000 0.15421214038710 0.99887930182913 28.085 > 13 31 Si 0.50000000000000 0.34578785961290 0.49887930182913 28.085 > 15 32 Si 0.50000000000000 0.34578785961290 0.99887930182913 28.085 > 15 33 B 0.00000000000000 0.57406257587032 0.11169934979361 10.811 > 33 34 B 0.00000000000000 0.57406257587032 0.61169934979361 10.811 > 33 35 B 0.11101832552752 0.38745681932669 0.00125062958272 10.811 > 35 36 B 0.11101832552752 0.38745681932669 0.50125062958272 10.811 > 35 37 B 0.11101832552752 0.88745681932669 0.49874937041728 10.811 > 37 38 B 0.11101832552752 0.88745681932669 0.99874937041728 10.811 > 37 39 B 0.88898167447248 0.61254318067331 0.49874937041728 10.811 > 39 40 B 0.88898167447248 0.61254318067331 0.99874937041728 10.811 > 39 41 B 0.00000000000000 0.42593742412968 0.38830065020639 10.811 > 41 42 B 0.00000000000000 0.42593742412968 0.88830065020639 10.811 > 41 43 B 0.11101832552752 0.61254318067331 0.49874937041728 10.811 > 43 44 B 0.11101832552752 0.61254318067331 0.99874937041728 10.811 > 43 45 B 0.17554873746601 0.50150524769512 0.07716108856950 10.811 > 45 46 B 0.17554873746601 0.50150524769512 0.57716108856950 10.811 > 45 47 B 0.32445126253399 0.49849475230488 0.32716108856950 10.811 > 47 48 B 0.32445126253399 0.49849475230488 0.82716108856950 10.811 > 47 49 B 0.67554873746601 0.50150524769512 0.17283891143050 10.811 > 49 50 B 0.67554873746601 0.50150524769512 0.67283891143050 10.811 > 49 51 B 0.00000000000000 0.07406257587032 0.38830065020639 10.811 > 51 52 B 0.00000000000000 0.07406257587032 0.88830065020639 10.811 > 51 53 B 0.88898167447248 0.88745681932669 0.49874937041728 10.811 > 53 54 B 0.88898167447248 0.88745681932669 0.99874937041728 10.811 > 53 55 B 0.17554873746601 0.49849475230488 0.42283891143050 10.811 > 55 56 B 0.17554873746601 0.49849475230488 0.92283891143050 10.811 > 55 57 B 0.82445126253399 0.49849475230488 0.42283891143050 10.811 > 57 58 B 0.82445126253399 0.49849475230488 0.92283891143050 10.811 > 57 59 B 0.88898167447248 0.38745681932669 0.00125062958272 10.811 > 59 60 B 0.88898167447248 0.38745681932669 0.50125062958272 10.811 > 59 61 B 0.00000000000000 0.93084829416801 0.38598780729867 10.811 > 61 62 B 0.00000000000000 0.93084829416801 0.88598780729867 10.811 > 61 63 B 0.00000000000000 0.56915170583199 0.38598780729867 10.811 > 63 64 B 0.00000000000000 0.56915170583199 0.88598780729867 10.811 > 63 65 B 0.67554873746601 0.49849475230488 0.32716108856950 10.811 > 65 66 B 0.67554873746601 0.49849475230488 0.82716108856950 10.811 > 65 67 B 0.88898167447248 0.11254318067331 0.00125062958272 10.811 > 67 68 B 0.88898167447248 0.11254318067331 0.50125062958272 10.811 > 67 69 B 0.82445126253399 0.50150524769512 0.07716108856950 10.811 > 69 70 B 0.82445126253399 0.50150524769512 0.57716108856950 10.811 > 69 71 B 0.00000000000000 0.06915170583199 0.11401219270133 10.811 > 71 72 B 0.00000000000000 0.06915170583199 0.61401219270133 10.811 > 71 73 B 0.00000000000000 0.43084829416801 0.11401219270133 10.811 > 73 74 B 0.00000000000000 0.43084829416801 0.61401219270133 10.811 > 73 75 B 0.11101832552752 0.11254318067331 0.00125062958272 10.811 > 75 76 B 0.11101832552752 0.11254318067331 0.50125062958272 10.811 > 75 77 B 0.00000000000000 0.92593742412968 0.11169934979361 10.811 > 77 78 B 0.00000000000000 0.92593742412968 0.61169934979361 10.811 > 77 79 B 0.32445126253399 0.50150524769512 0.17283891143050 10.811 > 79 80 B 0.32445126253399 0.50150524769512 0.67283891143050 10.811 > 79 81 B 0.50000000000000 0.07406257587032 0.36169934979361 10.811 > 33 82 B 0.50000000000000 0.07406257587032 0.86169934979361 10.811 > 33 83 B 0.61101832552752 0.88745681932669 0.25125062958272 10.811 > 35 84 B 0.61101832552752 0.88745681932669 0.75125062958272 10.811 > 35 85 B 0.61101832552752 0.38745681932669 0.24874937041728 10.811 > 37 86 B 0.61101832552752 0.38745681932669 0.74874937041728 10.811 > 37 87 B 0.38898167447248 0.11254318067331 0.24874937041728 10.811 > 39 88 B 0.38898167447248 0.11254318067331 0.74874937041728 10.811 > 39 89 B 0.50000000000000 0.92593742412968 0.13830065020639 10.811 > 41 90 B 0.50000000000000 0.92593742412968 0.63830065020639 10.811 > 41 91 B 0.61101832552752 0.11254318067331 0.24874937041728 10.811 > 43 92 B 0.61101832552752 0.11254318067331 0.74874937041728 10.811 > 43 93 B 0.67554873746601 0.00150524769512 0.32716108856950 10.811 > 45 94 B 0.67554873746601 0.00150524769512 0.82716108856950 10.811 > 45 95 B 0.82445126253399 0.99849475230488 0.07716108856950 10.811 > 47 96 B 0.82445126253399 0.99849475230488 0.57716108856950 10.811 > 47 97 B 0.17554873746601 0.00150524769512 0.42283891143050 10.811 > 49 98 B 0.17554873746601 0.00150524769512 0.92283891143050 10.811 > 49 99 B 0.50000000000000 0.57406257587032 0.13830065020639 10.811 > 51 100 B 0.50000000000000 0.57406257587032 0.63830065020639 10.811 > 51 101 B 0.38898167447248 0.38745681932669 0.24874937041728 10.811 > 53 102 B 0.38898167447248 0.38745681932669 0.74874937041728 10.811 > 53 103 B 0.67554873746601 0.99849475230488 0.17283891143050 10.811 > 55 104 B 0.67554873746601 0.99849475230488 0.67283891143050 10.811 > 55 105 B 0.32445126253399 0.99849475230488 0.17283891143050 10.811 > 57 106 B 0.32445126253399 0.99849475230488 0.67283891143050 10.811 > 57 107 B 0.38898167447248 0.88745681932669 0.25125062958272 10.811 > 59 108 B 0.38898167447248 0.88745681932669 0.75125062958272 10.811 > 59 109 B 0.50000000000000 0.43084829416801 0.13598780729867 10.811 > 61 110 B 0.50000000000000 0.43084829416801 0.63598780729867 10.811 > 61 111 B 0.50000000000000 0.06915170583199 0.13598780729867 10.811 > 63 112 B 0.50000000000000 0.06915170583199 0.63598780729867 10.811 > 63 113 B 0.17554873746601 0.99849475230488 0.07716108856950 10.811 > 65 114 B 0.17554873746601 0.99849475230488 0.57716108856950 10.811 > 65 115 B 0.38898167447248 0.61254318067331 0.25125062958272 10.811 > 67 116 B 0.38898167447248 0.61254318067331 0.75125062958272 10.811 > 67 117 B 0.32445126253399 0.00150524769512 0.32716108856950 10.811 > 69 118 B 0.32445126253399 0.00150524769512 0.82716108856950 10.811 > 69 119 B 0.50000000000000 0.56915170583199 0.36401219270133 10.811 > 71 120 B 0.50000000000000 0.56915170583199 0.86401219270133 10.811 > 71 121 B 0.50000000000000 0.93084829416801 0.36401219270133 10.811 > 73 122 B 0.50000000000000 0.93084829416801 0.86401219270133 10.811 > 73 123 B 0.61101832552752 0.61254318067331 0.25125062958272 10.811 > 75 124 B 0.61101832552752 0.61254318067331 0.75125062958272 10.811 > 75 125 B 0.50000000000000 0.42593742412968 0.36169934979361 10.811 > 77 126 B 0.50000000000000 0.42593742412968 0.86169934979361 10.811 > 77 127 B 0.82445126253399 0.00150524769512 0.42283891143050 10.811 > 79 128 B 0.82445126253399 0.00150524769512 0.92283891143050 10.811 > 79 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 12.6324014 0.0000000 0.0000000 0.0000000 11.3611698 0.0000000 0.0000000 0.0000000 9.0913710 -------------------------- Born effective charges -------------------------- 1 Si 0.3617879 0.0000000 -0.6025006 0.0000000 -0.2177096 -0.0000000 0.0623023 -0.0000000 0.7308146 2 Si 0.3617879 0.0000000 0.6025006 0.0000000 -0.2177096 -0.0000000 -0.0623023 -0.0000000 0.7308146 3 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 -0.5323495 0.0000000 -0.5109383 0.9304316 4 Si 0.3617879 0.0000000 0.6025006 0.0000000 -0.2177096 -0.0000000 -0.0623023 -0.0000000 0.7308146 5 Si 0.3617879 0.0000000 -0.6025006 0.0000000 -0.2177096 -0.0000000 0.0623023 -0.0000000 0.7308146 6 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 0.5323495 0.0000000 0.5109383 0.9304316 7 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 0.5323495 0.0000000 0.5109383 0.9304316 8 Si 2.3821804 0.0000000 0.0000000 0.0000000 1.6735784 -0.5323495 0.0000000 -0.5109383 0.9304316 9 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 0.5185716 0.0000000 0.3173376 -0.0733041 10 B -0.2706693 -1.4193488 0.2808285 0.0135421 0.2398818 -0.2475140 0.0241722 -0.1376545 -0.4676542 11 B -0.2706693 -1.4193488 -0.2808285 0.0135421 0.2398818 0.2475140 -0.0241722 0.1376545 -0.4676542 12 B -0.2706693 -1.4193488 0.2808285 0.0135421 0.2398818 -0.2475140 0.0241722 -0.1376545 -0.4676542 13 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 0.5185716 0.0000000 0.3173376 -0.0733041 14 B -0.2706693 1.4193488 -0.2808285 -0.0135421 0.2398818 -0.2475140 -0.0241722 -0.1376545 -0.4676542 15 B -0.0002559 -0.0983824 0.4642268 0.0801454 -0.4321488 -0.0167652 0.1726837 -0.0547077 -0.1314259 16 B -0.0002559 -0.0983824 -0.4642268 0.0801454 -0.4321488 0.0167652 -0.1726837 0.0547077 -0.1314259 17 B -0.0002559 -0.0983824 -0.4642268 0.0801454 -0.4321488 0.0167652 -0.1726837 0.0547077 -0.1314259 18 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 -0.5185716 0.0000000 -0.3173376 -0.0733041 19 B -0.2706693 1.4193488 0.2808285 -0.0135421 0.2398818 0.2475140 0.0241722 0.1376545 -0.4676542 20 B -0.0002559 0.0983824 -0.4642268 -0.0801454 -0.4321488 -0.0167652 -0.1726837 -0.0547077 -0.1314259 21 B -0.0002559 -0.0983824 0.4642268 0.0801454 -0.4321488 -0.0167652 0.1726837 -0.0547077 -0.1314259 22 B -0.2706693 1.4193488 -0.2808285 -0.0135421 0.2398818 -0.2475140 -0.0241722 -0.1376545 -0.4676542 23 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 0.5145853 0.0000000 0.2061455 -0.3897819 24 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 -0.5145853 0.0000000 -0.2061455 -0.3897819 25 B -0.0002559 0.0983824 0.4642268 -0.0801454 -0.4321488 0.0167652 0.1726837 0.0547077 -0.1314259 26 B -0.2706693 -1.4193488 -0.2808285 0.0135421 0.2398818 0.2475140 -0.0241722 0.1376545 -0.4676542 27 B -0.0002559 0.0983824 -0.4642268 -0.0801454 -0.4321488 -0.0167652 -0.1726837 -0.0547077 -0.1314259 28 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 0.5145853 0.0000000 0.2061455 -0.3897819 29 B -1.1623892 0.0000000 0.0000000 0.0000000 -0.6269552 -0.5145853 0.0000000 -0.2061455 -0.3897819 30 B -0.2706693 1.4193488 0.2808285 -0.0135421 0.2398818 0.2475140 0.0241722 0.1376545 -0.4676542 31 B -1.0397285 0.0000000 0.0000000 0.0000000 -0.4443798 -0.5185716 0.0000000 -0.3173376 -0.0733041 32 B -0.0002559 0.0983824 0.4642268 -0.0801454 -0.4321488 0.0167652 0.1726837 0.0547077 -0.1314259 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 4 48 ] Grid generation matrix: [ 0 6 6 ] [ 4 0 4 ] [ 8 8 0 ] 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: 0.60, Number of G-points: 297, Lambda: 0.21 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 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 5.398 ( 0.000 0.000 0.000) 0.000 5.502 ( 0.000 0.000 0.000) 0.000 5.518 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.657 ( 0.000 0.000 0.000) 0.000 6.802 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 7.032 ( 0.000 0.000 0.000) 0.000 7.557 ( 0.000 0.000 0.000) 0.000 7.631 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.382 ( 0.000 0.000 0.000) 0.000 8.582 ( 0.000 0.000 0.000) 0.000 8.672 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.326 ( 0.000 0.000 0.000) 0.000 10.042 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.429 ( 0.000 0.000 0.000) 0.000 10.693 ( 0.000 0.000 0.000) 0.000 11.175 ( 0.000 0.000 0.000) 0.000 11.587 ( 0.000 0.000 0.000) 0.000 12.236 ( 0.000 0.000 0.000) 0.000 12.495 ( 0.000 0.000 0.000) 0.000 12.898 ( 0.000 0.000 0.000) 0.000 13.430 ( 0.000 0.000 0.000) 0.000 13.442 ( 0.000 0.000 0.000) 0.000 13.500 ( 0.000 0.000 0.000) 0.000 13.527 ( 0.000 0.000 0.000) 0.000 13.793 ( 0.000 0.000 0.000) 0.000 13.975 ( 0.000 0.000 0.000) 0.000 14.274 ( 0.000 0.000 0.000) 0.000 14.920 ( 0.000 0.000 0.000) 0.000 15.737 ( 0.000 0.000 0.000) 0.000 15.897 ( 0.000 0.000 0.000) 0.000 16.050 ( 0.000 0.000 0.000) 0.000 16.175 ( 0.000 0.000 0.000) 0.000 16.451 ( 0.000 0.000 0.000) 0.000 16.565 ( 0.000 0.000 0.000) 0.000 16.984 ( 0.000 0.000 0.000) 0.000 17.435 ( 0.000 0.000 0.000) 0.000 17.496 ( 0.000 0.000 0.000) 0.000 17.751 ( 0.000 0.000 0.000) 0.000 18.678 ( 0.000 0.000 0.000) 0.000 18.819 ( 0.000 0.000 0.000) 0.000 18.976 ( 0.000 0.000 0.000) 0.000 19.200 ( 0.000 0.000 0.000) 0.000 19.460 ( 0.000 0.000 0.000) 0.000 19.637 ( 0.000 0.000 0.000) 0.000 20.741 ( 0.000 0.000 0.000) 0.000 21.096 ( 0.000 0.000 0.000) 0.000 21.207 ( 0.000 0.000 0.000) 0.000 21.432 ( 0.000 0.000 0.000) 0.000 21.697 ( 0.000 0.000 0.000) 0.000 22.004 ( 0.000 0.000 0.000) 0.000 22.155 ( 0.000 0.000 0.000) 0.000 22.156 ( 0.000 0.000 0.000) 0.000 22.396 ( 0.000 0.000 0.000) 0.000 22.432 ( 0.000 0.000 0.000) 0.000 22.529 ( 0.000 0.000 0.000) 0.000 22.784 ( 0.000 0.000 0.000) 0.000 22.823 ( 0.000 0.000 0.000) 0.000 23.153 ( 0.000 0.000 0.000) 0.000 23.158 ( 0.000 0.000 0.000) 0.000 23.507 ( 0.000 0.000 0.000) 0.000 24.005 ( 0.000 0.000 0.000) 0.000 24.073 ( 0.000 0.000 0.000) 0.000 24.280 ( 0.000 0.000 0.000) 0.000 24.307 ( 0.000 0.000 0.000) 0.000 24.404 ( 0.000 0.000 0.000) 0.000 25.600 ( 0.000 0.000 0.000) 0.000 25.943 ( 0.000 0.000 0.000) 0.000 26.162 ( 0.000 0.000 0.000) 0.000 26.262 ( 0.000 0.000 0.000) 0.000 26.505 ( 0.000 0.000 0.000) 0.000 26.569 ( 0.000 0.000 0.000) 0.000 26.742 ( 0.000 0.000 0.000) 0.000 27.124 ( 0.000 0.000 0.000) 0.000 27.284 ( 0.000 0.000 0.000) 0.000 27.302 ( 0.000 0.000 0.000) 0.000 27.316 ( 0.000 0.000 0.000) 0.000 27.458 ( 0.000 0.000 0.000) 0.000 27.713 ( 0.000 0.000 0.000) 0.000 27.909 ( 0.000 0.000 0.000) 0.000 28.059 ( 0.000 0.000 0.000) 0.000 29.255 ( 0.000 0.000 0.000) 0.000 29.332 ( 0.000 0.000 0.000) 0.000 29.497 ( 0.000 0.000 0.000) 0.000 29.502 ( 0.000 0.000 0.000) 0.000 31.702 ( 0.000 0.000 0.000) 0.000 31.873 ( 0.000 0.000 0.000) 0.000 31.960 ( 0.000 0.000 0.000) 0.000 32.353 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 59 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.116 ( -22.800 -13.291 -0.000) 26.391 4.116 ( 22.800 13.291 0.000) 26.391 4.387 ( -26.836 -15.736 -0.000) 31.109 4.387 ( 26.836 15.736 0.000) 31.109 5.412 ( -2.251 -0.874 0.000) 2.414 5.412 ( 2.251 0.874 -0.000) 2.414 6.163 ( 0.959 -22.988 -0.000) 23.008 6.163 ( -0.959 22.988 0.000) 23.008 7.042 ( -12.007 -40.047 -0.000) 41.808 7.042 ( 12.007 40.047 0.000) 41.808 7.553 ( -15.988 -9.223 -0.000) 18.457 7.553 ( 15.988 9.223 0.000) 18.457 8.499 ( -8.752 2.099 0.000) 9.001 8.499 ( 8.752 -2.099 -0.000) 9.001 8.796 ( 18.293 -12.248 -0.000) 22.015 8.796 ( -18.293 12.248 0.000) 22.015 9.212 ( 4.132 -13.502 -0.000) 14.120 9.212 ( -4.132 13.502 0.000) 14.120 9.956 ( -25.528 -2.781 0.000) 25.679 9.956 ( 25.528 2.781 -0.000) 25.679 10.162 ( -59.176 -1.553 0.000) 59.197 10.162 ( 59.176 1.553 -0.000) 59.197 10.493 ( 3.163 -16.992 -0.000) 17.284 10.493 ( -3.163 16.992 0.000) 17.284 10.837 ( -11.647 -14.772 -0.000) 18.811 10.837 ( 11.647 14.772 0.000) 18.811 11.643 ( -12.797 -13.342 -0.000) 18.488 11.643 ( 12.797 13.342 0.000) 18.488 12.962 ( 10.796 -32.013 -0.000) 33.784 12.962 ( -10.796 32.013 0.000) 33.784 13.542 ( 2.518 -8.351 -0.000) 8.723 13.542 ( -2.518 8.351 0.000) 8.723 14.628 ( -16.666 -0.498 0.000) 16.673 14.628 ( 16.666 0.498 -0.000) 16.673 14.783 ( -8.123 0.027 0.000) 8.123 14.783 ( 8.123 -0.027 -0.000) 8.123 15.029 ( -4.291 -1.998 0.000) 4.734 15.029 ( 4.291 1.998 -0.000) 4.734 16.451 ( -1.769 -12.407 -0.000) 12.533 16.451 ( 1.769 12.407 0.000) 12.533 17.061 ( -23.531 0.720 0.000) 23.542 17.061 ( 23.531 -0.720 -0.000) 23.542 17.421 ( -20.519 -0.119 0.000) 20.519 17.421 ( 20.519 0.119 -0.000) 20.519 17.963 ( -13.482 -1.538 0.000) 13.569 17.963 ( 13.482 1.538 -0.000) 13.569 18.317 ( -27.402 -8.722 0.000) 28.757 18.317 ( 27.402 8.722 -0.000) 28.757 19.301 ( 3.048 -4.571 -0.000) 5.494 19.301 ( -3.048 4.571 0.000) 5.494 20.102 ( -37.801 1.020 0.000) 37.815 20.102 ( 37.801 -1.020 -0.000) 37.815 20.350 ( -14.921 -0.238 0.000) 14.923 20.350 ( 14.921 0.238 -0.000) 14.923 20.875 ( 7.742 -7.716 -0.000) 10.931 20.875 ( -7.742 7.716 0.000) 10.931 22.037 ( -6.754 2.016 0.000) 7.048 22.037 ( 6.754 -2.016 -0.000) 7.048 22.159 ( -0.739 -2.544 -0.000) 2.649 22.159 ( 0.739 2.544 0.000) 2.649 22.451 ( -19.393 -0.018 0.000) 19.393 22.451 ( 19.393 0.018 -0.000) 19.393 22.630 ( -6.147 2.402 0.000) 6.599 22.630 ( 6.147 -2.402 -0.000) 6.599 22.783 ( -9.520 1.842 0.000) 9.696 22.783 ( 9.520 -1.842 -0.000) 9.696 22.938 ( -9.400 -0.080 0.000) 9.400 22.938 ( 9.400 0.080 -0.000) 9.400 24.326 ( 0.243 -0.324 -0.000) 0.405 24.326 ( -0.243 0.324 0.000) 0.405 24.376 ( 0.131 -3.294 -0.000) 3.297 24.376 ( -0.131 3.294 0.000) 3.297 25.842 ( -14.719 -2.710 0.000) 14.966 25.842 ( 14.719 2.710 -0.000) 14.966 25.965 ( -9.913 1.273 0.000) 9.995 25.965 ( 9.913 -1.273 -0.000) 9.995 26.079 ( -6.149 -0.528 0.000) 6.172 26.079 ( 6.149 0.528 -0.000) 6.172 26.547 ( 2.925 -2.012 -0.000) 3.550 26.547 ( -2.925 2.012 0.000) 3.550 27.275 ( -6.899 2.198 0.000) 7.241 27.275 ( 6.899 -2.198 -0.000) 7.241 27.413 ( -3.025 0.178 0.000) 3.030 27.413 ( 3.025 -0.178 -0.000) 3.030 27.525 ( -5.697 0.669 0.000) 5.737 27.525 ( 5.697 -0.669 -0.000) 5.737 27.954 ( -1.781 -0.616 0.000) 1.884 27.954 ( 1.781 0.616 -0.000) 1.884 29.328 ( -1.444 -2.151 -0.000) 2.590 29.328 ( 1.444 2.151 0.000) 2.590 29.452 ( -2.308 -0.198 0.000) 2.317 29.452 ( 2.308 0.198 -0.000) 2.317 31.822 ( 3.326 -1.707 -0.000) 3.738 31.822 ( -3.326 1.707 0.000) 3.738 32.155 ( -5.356 0.326 0.000) 5.366 32.155 ( 5.356 -0.326 -0.000) 5.366 ======================= Grid point 3 (3/84) ======================= q-point: ( 0.00 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.367 ( 25.468 8.794 16.272) 31.476 4.463 ( 29.879 10.716 25.045) 40.433 4.899 ( -7.887 -7.470 14.504) 18.121 5.024 ( -7.611 -13.523 1.499) 15.589 5.383 ( 2.555 6.633 0.298) 7.114 5.491 ( -1.691 1.703 2.885) 3.752 6.293 ( 11.259 10.643 6.492) 16.798 6.511 ( -2.701 7.596 13.285) 15.539 6.925 ( -8.950 4.190 -0.180) 9.884 7.438 ( 3.991 -14.740 -4.650) 15.963 7.839 ( 18.306 0.998 30.061) 35.210 7.921 ( -4.320 6.388 -10.701) 13.190 8.309 ( -7.730 14.763 4.514) 17.265 8.332 ( 2.059 -9.170 31.871) 33.228 8.926 ( -17.583 -19.247 -4.293) 26.420 9.294 ( -21.387 7.462 6.917) 23.684 9.568 ( 9.247 -7.311 9.209) 14.959 9.738 ( 8.180 -16.545 8.921) 20.500 9.805 ( -15.497 2.637 -2.734) 15.956 10.020 ( -6.852 6.247 14.139) 16.908 10.221 ( 11.037 -14.303 8.842) 20.114 10.426 ( 10.268 -1.089 1.301) 10.407 10.588 ( 8.690 7.186 3.722) 11.875 10.815 ( -15.009 -3.469 9.318) 18.004 11.101 ( 14.888 -8.353 16.181) 23.521 11.244 ( 10.451 0.513 4.058) 11.223 11.522 ( -10.101 5.448 14.935) 18.835 11.852 ( -5.856 -3.302 0.636) 6.753 12.291 ( -9.128 30.198 0.146) 31.548 12.789 ( -1.503 8.869 -22.018) 23.785 13.396 ( -5.043 -7.307 -9.127) 12.733 13.772 ( -2.796 -8.429 -6.310) 10.894 13.949 ( -13.480 6.915 -13.417) 20.238 14.274 ( 16.773 -5.453 -9.827) 20.190 14.636 ( 10.123 -0.333 -5.830) 11.686 14.795 ( -7.073 -7.521 -5.665) 11.777 15.116 ( -11.998 6.255 1.602) 13.625 15.267 ( 16.148 -1.066 10.988) 19.561 15.989 ( 0.951 6.752 -10.137) 12.217 16.402 ( -2.422 -9.499 -9.946) 13.965 17.234 ( 13.183 0.235 5.510) 14.290 17.269 ( -13.702 -1.355 6.846) 15.377 17.452 ( 3.444 0.232 -3.862) 5.180 17.454 ( -3.907 0.227 -3.650) 5.351 17.891 ( 19.871 5.109 -7.876) 21.977 18.023 ( 10.898 1.355 3.479) 11.519 18.053 ( -12.949 -1.193 -2.100) 13.172 18.153 ( -17.443 -4.011 -4.685) 18.501 19.280 ( 14.820 0.486 -13.257) 19.890 19.295 ( -11.737 -0.153 -9.406) 15.042 19.469 ( 2.421 4.218 4.210) 6.432 19.634 ( -2.886 -2.334 -1.680) 4.074 20.544 ( -5.151 6.564 0.095) 8.344 20.812 ( 5.852 -3.758 2.853) 7.517 21.160 ( 16.296 -0.462 5.021) 17.059 21.171 ( -24.996 -0.758 12.137) 27.797 21.828 ( 6.693 0.871 -3.001) 7.386 21.872 ( -3.345 -0.924 -4.783) 5.909 22.042 ( -2.080 1.824 -1.387) 3.095 22.137 ( 2.218 -1.863 -1.949) 3.491 22.536 ( -6.439 -0.060 -2.355) 6.856 22.549 ( -0.624 -0.382 -1.075) 1.301 22.564 ( -2.473 0.201 2.018) 3.198 22.582 ( 2.374 0.076 -0.163) 2.381 22.732 ( 2.917 -1.024 -0.236) 3.100 22.774 ( 6.041 -2.061 -1.558) 6.571 22.858 ( 9.895 1.103 -1.714) 10.102 22.894 ( -7.986 -0.229 -1.939) 8.221 24.049 ( 1.149 1.840 -6.704) 7.046 24.121 ( -1.234 -1.099 -6.877) 7.072 24.535 ( 1.634 0.818 5.529) 5.823 24.571 ( -0.731 -0.587 4.190) 4.294 25.891 ( 2.946 0.413 0.562) 3.027 25.932 ( 4.529 1.731 2.223) 5.334 25.961 ( -4.179 -2.135 0.478) 4.717 26.030 ( -8.574 -1.952 1.900) 8.996 26.090 ( 2.065 2.003 0.704) 2.962 26.150 ( 1.163 0.220 2.959) 3.187 26.361 ( -1.844 0.691 -6.195) 6.500 26.412 ( 2.227 -1.148 -7.183) 7.607 27.187 ( -6.213 1.766 -1.930) 6.741 27.288 ( 5.206 -2.374 -1.439) 5.900 27.465 ( 0.479 1.092 1.911) 2.252 27.505 ( 0.544 -0.851 1.657) 1.940 27.572 ( -0.072 1.617 4.537) 4.817 27.643 ( -0.103 -1.334 3.742) 3.974 27.905 ( 0.540 0.359 -0.065) 0.652 27.923 ( -2.022 -0.315 -1.295) 2.421 29.255 ( 0.769 0.608 -1.580) 1.860 29.290 ( -1.041 -0.800 -2.883) 3.168 29.426 ( -0.827 1.309 -0.926) 1.804 29.487 ( 1.193 -1.120 0.948) 1.891 31.821 ( -1.782 0.879 1.427) 2.446 31.867 ( 2.481 -0.909 0.769) 2.752 32.089 ( -3.931 0.284 -2.631) 4.739 32.103 ( 4.016 -0.290 -2.488) 4.733 ======================= Grid point 4 (4/84) ======================= q-point: ( 0.00 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.040 ( -0.000 -28.410 48.272) 56.012 3.051 ( -0.000 -26.702 52.451) 58.857 4.775 ( -0.000 -49.934 59.031) 77.318 5.129 ( 0.000 6.177 -5.837) 8.499 5.385 ( -0.000 -5.129 -1.585) 5.368 5.544 ( -0.000 0.090 0.874) 0.879 6.236 ( 0.000 3.716 -2.960) 4.750 6.713 ( -0.000 4.305 19.855) 20.316 6.956 ( -0.000 1.017 3.430) 3.578 7.128 ( -0.000 -1.692 15.625) 15.716 7.569 ( -0.000 -5.722 15.168) 16.211 8.131 ( 0.000 -5.859 -20.486) 21.307 8.149 ( -0.000 11.882 23.524) 26.355 8.227 ( 0.000 8.003 5.289) 9.592 8.349 ( -0.000 11.065 40.622) 42.102 8.517 ( -0.000 0.372 2.837) 2.862 9.406 ( -0.000 14.166 13.786) 19.767 9.551 ( -0.000 -5.752 12.344) 13.619 9.784 ( -0.000 4.985 17.793) 18.478 10.002 ( -0.000 -1.259 20.545) 20.583 10.194 ( 0.000 0.246 -5.413) 5.418 10.370 ( 0.000 -10.220 -11.864) 15.659 10.410 ( -0.000 3.475 2.393) 4.219 10.909 ( 0.000 20.170 -1.001) 20.195 11.761 ( -0.000 4.628 4.219) 6.263 11.888 ( 0.000 -12.614 -28.981) 31.608 12.255 ( 0.000 -8.627 -23.480) 25.015 12.312 ( 0.000 3.000 -21.763) 21.968 12.685 ( 0.000 -1.476 -27.967) 28.006 12.988 ( -0.000 -10.399 2.564) 10.711 13.508 ( 0.000 10.444 -5.734) 11.914 13.602 ( 0.000 19.258 8.458) 21.033 13.825 ( -0.000 -1.139 1.262) 1.700 14.136 ( -0.000 -3.302 0.649) 3.365 14.664 ( 0.000 -0.914 -34.290) 34.302 14.970 ( 0.000 -5.654 -11.482) 12.798 14.997 ( -0.000 0.960 22.301) 22.321 15.977 ( 0.000 -8.797 -7.033) 11.263 16.356 ( 0.000 -0.459 -9.262) 9.273 16.361 ( -0.000 4.935 3.928) 6.308 16.399 ( -0.000 1.505 7.050) 7.209 16.616 ( -0.000 -0.286 21.826) 21.827 16.712 ( 0.000 1.863 -4.673) 5.030 17.632 ( -0.000 -1.399 5.099) 5.287 17.761 ( -0.000 -0.637 -0.073) 0.641 18.355 ( -0.000 -1.409 33.973) 34.002 18.587 ( -0.000 -4.143 0.197) 4.148 18.630 ( 0.000 -0.732 -8.718) 8.749 19.070 ( -0.000 -0.090 3.577) 3.578 19.289 ( 0.000 2.542 -2.332) 3.450 19.361 ( -0.000 3.931 4.439) 5.929 19.857 ( -0.000 -0.156 4.312) 4.315 20.673 ( 0.000 -3.300 -5.866) 6.731 20.710 ( 0.000 -0.555 -22.640) 22.647 21.004 ( 0.000 8.442 0.302) 8.448 21.170 ( 0.000 3.372 -19.839) 20.124 21.580 ( -0.000 0.135 1.231) 1.239 21.787 ( 0.000 -1.963 -14.858) 14.988 21.977 ( 0.000 0.730 -6.742) 6.782 22.065 ( -0.000 -4.550 0.142) 4.552 22.146 ( 0.000 -0.647 -0.710) 0.961 22.369 ( 0.000 -1.677 -4.144) 4.470 22.555 ( -0.000 2.097 2.411) 3.196 22.827 ( 0.000 -0.108 -1.897) 1.900 23.114 ( -0.000 1.098 1.455) 1.823 23.136 ( 0.000 0.302 -0.425) 0.521 23.254 ( -0.000 -0.624 10.643) 10.661 23.484 ( 0.000 1.062 -1.086) 1.519 23.606 ( 0.000 -1.497 -7.449) 7.598 23.880 ( 0.000 -2.719 -6.168) 6.741 24.552 ( -0.000 -0.993 6.357) 6.434 24.573 ( -0.000 -0.961 7.050) 7.115 24.835 ( -0.000 -0.053 14.878) 14.878 25.563 ( 0.000 -1.431 -2.990) 3.315 26.039 ( -0.000 3.538 3.953) 5.304 26.128 ( 0.000 0.688 -1.506) 1.655 26.315 ( -0.000 0.853 2.605) 2.741 26.330 ( 0.000 0.951 -7.109) 7.172 26.426 ( 0.000 -2.023 -7.299) 7.574 26.583 ( 0.000 0.215 -5.424) 5.428 27.059 ( 0.000 2.531 -1.139) 2.775 27.341 ( -0.000 -1.068 0.766) 1.314 27.356 ( -0.000 -1.265 1.449) 1.924 27.450 ( -0.000 -0.364 5.207) 5.220 27.590 ( -0.000 -1.701 4.667) 4.967 27.810 ( -0.000 -0.243 3.912) 3.920 27.900 ( 0.000 0.755 0.107) 0.763 27.965 ( 0.000 1.582 -2.733) 3.158 29.221 ( 0.000 0.439 -1.276) 1.349 29.296 ( 0.000 -0.578 -2.648) 2.710 29.440 ( 0.000 0.890 -0.325) 0.947 29.512 ( 0.000 -0.909 -0.784) 1.200 31.780 ( -0.000 0.356 3.958) 3.974 31.891 ( -0.000 -1.396 -0.000) 1.396 31.942 ( 0.000 0.156 -0.658) 0.676 32.240 ( 0.000 -0.344 -5.361) 5.372 ======================= Grid point 5 (5/84) ======================= q-point: ( 0.00 -0.50 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( -0.000 -0.000 0.000) 0.000 4.377 ( -0.000 -0.000 0.000) 0.000 5.284 ( -0.000 -0.000 0.000) 0.000 5.492 ( 0.000 0.000 -0.000) 0.000 5.643 ( -0.000 -0.000 0.000) 0.000 5.817 ( 0.000 0.000 -0.000) 0.000 6.308 ( -0.000 0.000 0.000) 0.000 6.629 ( -0.000 -0.000 0.000) 0.000 7.261 ( -0.000 -0.000 -0.000) 0.000 7.400 ( -0.000 -0.000 0.000) 0.000 7.928 ( -0.000 -0.000 0.000) 0.000 8.076 ( -0.000 0.000 0.000) 0.000 8.157 ( -0.000 -0.000 0.000) 0.000 8.639 ( 0.000 0.000 -0.000) 0.000 9.375 ( -0.000 -0.000 0.000) 0.000 9.461 ( 0.000 -0.000 -0.000) 0.000 9.784 ( -0.000 -0.000 0.000) 0.000 10.064 ( -0.000 0.000 0.000) 0.000 10.214 ( -0.000 -0.000 -0.000) 0.000 10.288 ( -0.000 -0.000 0.000) 0.000 10.437 ( -0.000 -0.000 0.000) 0.000 10.576 ( -0.000 0.000 0.000) 0.000 10.743 ( 0.000 0.000 -0.000) 0.000 10.765 ( -0.000 0.000 0.000) 0.000 10.990 ( -0.000 -0.000 0.000) 0.000 11.014 ( 0.000 -0.000 -0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.812 ( -0.000 -0.000 0.000) 0.000 11.831 ( 0.000 -0.000 -0.000) 0.000 11.987 ( -0.000 -0.000 0.000) 0.000 13.411 ( -0.000 0.000 0.000) 0.000 13.902 ( -0.000 -0.000 0.000) 0.000 13.904 ( -0.000 -0.000 0.000) 0.000 13.940 ( -0.000 0.000 0.000) 0.000 14.201 ( 0.000 -0.000 -0.000) 0.000 14.647 ( -0.000 -0.000 0.000) 0.000 15.812 ( 0.000 -0.000 -0.000) 0.000 15.817 ( -0.000 -0.000 0.000) 0.000 16.022 ( 0.000 0.000 0.000) 0.000 16.109 ( -0.000 -0.000 0.000) 0.000 16.650 ( 0.000 -0.000 -0.000) 0.000 16.755 ( -0.000 0.000 0.000) 0.000 17.356 ( -0.000 -0.000 0.000) 0.000 17.503 ( 0.000 -0.000 -0.000) 0.000 18.058 ( -0.000 -0.000 0.000) 0.000 18.157 ( -0.000 0.000 0.000) 0.000 18.879 ( 0.000 0.000 -0.000) 0.000 18.937 ( -0.000 -0.000 0.000) 0.000 19.399 ( -0.000 -0.000 0.000) 0.000 19.444 ( 0.000 0.000 -0.000) 0.000 19.807 ( 0.000 0.000 -0.000) 0.000 19.871 ( -0.000 -0.000 0.000) 0.000 19.883 ( -0.000 -0.000 0.000) 0.000 19.944 ( -0.000 -0.000 0.000) 0.000 20.760 ( -0.000 0.000 0.000) 0.000 20.895 ( -0.000 -0.000 0.000) 0.000 21.390 ( -0.000 0.000 0.000) 0.000 21.451 ( -0.000 -0.000 0.000) 0.000 22.122 ( 0.000 0.000 0.000) 0.000 22.148 ( 0.000 -0.000 -0.000) 0.000 22.153 ( -0.000 -0.000 0.000) 0.000 22.163 ( -0.000 0.000 0.000) 0.000 22.648 ( 0.000 -0.000 -0.000) 0.000 22.679 ( -0.000 0.000 0.000) 0.000 23.105 ( -0.000 -0.000 0.000) 0.000 23.122 ( -0.000 -0.000 0.000) 0.000 23.432 ( -0.000 0.000 0.000) 0.000 23.513 ( -0.000 -0.000 0.000) 0.000 23.658 ( 0.000 -0.000 -0.000) 0.000 23.663 ( -0.000 0.000 0.000) 0.000 24.725 ( -0.000 -0.000 0.000) 0.000 24.787 ( -0.000 0.000 0.000) 0.000 25.256 ( -0.000 -0.000 0.000) 0.000 25.413 ( -0.000 -0.000 0.000) 0.000 26.035 ( -0.000 -0.000 0.000) 0.000 26.097 ( -0.000 -0.000 0.000) 0.000 26.134 ( 0.000 -0.000 -0.000) 0.000 26.222 ( -0.000 -0.000 0.000) 0.000 26.381 ( -0.000 -0.000 0.000) 0.000 26.447 ( -0.000 -0.000 0.000) 0.000 26.997 ( -0.000 -0.000 0.000) 0.000 27.342 ( -0.000 -0.000 0.000) 0.000 27.428 ( -0.000 -0.000 0.000) 0.000 27.593 ( -0.000 -0.000 0.000) 0.000 27.744 ( -0.000 -0.000 0.000) 0.000 27.868 ( -0.000 -0.000 0.000) 0.000 27.893 ( -0.000 -0.000 0.000) 0.000 27.931 ( -0.000 0.000 0.000) 0.000 29.174 ( -0.000 -0.000 0.000) 0.000 29.224 ( -0.000 -0.000 0.000) 0.000 29.436 ( -0.000 0.000 0.000) 0.000 29.502 ( -0.000 -0.000 0.000) 0.000 31.911 ( 0.000 0.000 0.000) 0.000 31.919 ( -0.000 -0.000 0.000) 0.000 31.991 ( -0.000 0.000 0.000) 0.000 31.993 ( 0.000 -0.000 -0.000) 0.000 ======================= Grid point 7 (6/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.585 ( 0.000 -0.000 0.000) 0.000 5.021 ( 0.000 -0.000 0.000) 0.000 5.282 ( -0.000 0.000 0.000) 0.000 5.313 ( 0.000 -0.000 0.000) 0.000 5.339 ( 0.000 -0.000 0.000) 0.000 5.999 ( 0.000 -0.000 0.000) 0.000 6.369 ( -0.000 0.000 0.000) 0.000 6.470 ( -0.000 0.000 -0.000) 0.000 6.571 ( 0.000 -0.000 0.000) 0.000 6.728 ( 0.000 -0.000 0.000) 0.000 7.802 ( 0.000 -0.000 0.000) 0.000 7.977 ( 0.000 -0.000 0.000) 0.000 8.828 ( 0.000 0.000 0.000) 0.000 9.181 ( -0.000 0.000 0.000) 0.000 9.665 ( 0.000 -0.000 0.000) 0.000 9.812 ( 0.000 0.000 0.000) 0.000 10.079 ( 0.000 -0.000 0.000) 0.000 10.126 ( -0.000 0.000 -0.000) 0.000 10.326 ( 0.000 -0.000 0.000) 0.000 10.384 ( -0.000 0.000 0.000) 0.000 10.425 ( 0.000 -0.000 -0.000) 0.000 10.518 ( 0.000 0.000 0.000) 0.000 10.561 ( -0.000 -0.000 -0.000) 0.000 10.732 ( 0.000 -0.000 -0.000) 0.000 11.064 ( 0.000 -0.000 0.000) 0.000 11.305 ( 0.000 -0.000 0.000) 0.000 11.368 ( -0.000 0.000 -0.000) 0.000 11.810 ( 0.000 -0.000 0.000) 0.000 12.357 ( -0.000 0.000 0.000) 0.000 12.600 ( 0.000 -0.000 0.000) 0.000 12.776 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 -0.000 -0.000) 0.000 13.848 ( -0.000 0.000 0.000) 0.000 14.153 ( -0.000 0.000 -0.000) 0.000 14.244 ( 0.000 -0.000 -0.000) 0.000 14.339 ( 0.000 -0.000 0.000) 0.000 15.263 ( 0.000 -0.000 0.000) 0.000 15.659 ( 0.000 -0.000 0.000) 0.000 15.716 ( 0.000 -0.000 0.000) 0.000 16.294 ( -0.000 0.000 0.000) 0.000 17.019 ( 0.000 -0.000 0.000) 0.000 17.056 ( 0.000 -0.000 0.000) 0.000 17.391 ( 0.000 -0.000 0.000) 0.000 17.454 ( 0.000 -0.000 0.000) 0.000 17.821 ( 0.000 -0.000 0.000) 0.000 18.048 ( -0.000 0.000 0.000) 0.000 18.115 ( 0.000 -0.000 0.000) 0.000 18.245 ( -0.000 0.000 0.000) 0.000 18.921 ( -0.000 0.000 0.000) 0.000 19.029 ( 0.000 -0.000 0.000) 0.000 19.622 ( 0.000 -0.000 0.000) 0.000 19.644 ( -0.000 0.000 0.000) 0.000 20.461 ( 0.000 -0.000 0.000) 0.000 20.879 ( 0.000 -0.000 0.000) 0.000 21.061 ( 0.000 -0.000 0.000) 0.000 21.289 ( 0.000 -0.000 0.000) 0.000 21.848 ( 0.000 -0.000 0.000) 0.000 22.025 ( 0.000 -0.000 0.000) 0.000 22.172 ( -0.000 0.000 -0.000) 0.000 22.191 ( 0.000 -0.000 -0.000) 0.000 22.291 ( 0.000 -0.000 0.000) 0.000 22.319 ( -0.000 0.000 0.000) 0.000 22.650 ( -0.000 0.000 0.000) 0.000 22.688 ( 0.000 -0.000 0.000) 0.000 22.712 ( -0.000 0.000 0.000) 0.000 22.781 ( 0.000 -0.000 0.000) 0.000 22.792 ( -0.000 0.000 0.000) 0.000 22.858 ( 0.000 -0.000 0.000) 0.000 23.864 ( 0.000 -0.000 0.000) 0.000 23.960 ( 0.000 -0.000 0.000) 0.000 24.673 ( 0.000 0.000 0.000) 0.000 24.683 ( 0.000 -0.000 0.000) 0.000 25.867 ( -0.000 0.000 0.000) 0.000 25.982 ( -0.000 0.000 0.000) 0.000 26.024 ( 0.000 -0.000 0.000) 0.000 26.041 ( 0.000 -0.000 0.000) 0.000 26.057 ( -0.000 0.000 0.000) 0.000 26.185 ( -0.000 0.000 0.000) 0.000 26.218 ( 0.000 -0.000 0.000) 0.000 26.265 ( 0.000 -0.000 0.000) 0.000 27.123 ( 0.000 -0.000 0.000) 0.000 27.268 ( 0.000 -0.000 0.000) 0.000 27.513 ( 0.000 -0.000 0.000) 0.000 27.532 ( -0.000 0.000 0.000) 0.000 27.685 ( 0.000 -0.000 0.000) 0.000 27.716 ( 0.000 0.000 0.000) 0.000 27.884 ( 0.000 -0.000 0.000) 0.000 27.983 ( 0.000 0.000 0.000) 0.000 29.214 ( 0.000 -0.000 0.000) 0.000 29.216 ( 0.000 -0.000 0.000) 0.000 29.376 ( -0.000 0.000 0.000) 0.000 29.525 ( 0.000 -0.000 0.000) 0.000 31.871 ( 0.000 -0.000 0.000) 0.000 31.905 ( 0.000 -0.000 0.000) 0.000 31.999 ( 0.000 -0.000 0.000) 0.000 32.030 ( 0.000 -0.000 0.000) 0.000 ======================= Grid point 11 (7/84) ======================= q-point: (-0.02 -0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 32.948 38.640 -38.393) 63.661 2.440 ( 31.681 43.157 -36.575) 64.838 3.837 ( 52.695 64.232 -61.090) 103.124 5.278 ( -1.630 -5.219 7.463) 9.252 5.432 ( -0.283 -2.596 -0.248) 2.623 5.554 ( -1.684 1.325 3.106) 3.773 5.829 ( -31.788 -0.412 -6.994) 32.551 6.520 ( -1.558 -11.047 -5.329) 12.364 6.699 ( -12.506 3.649 -15.523) 20.265 6.946 ( 8.974 -8.623 -2.978) 12.797 7.613 ( 20.098 -0.977 -3.298) 20.390 7.808 ( 3.795 -5.159 -8.808) 10.891 8.021 ( 0.884 1.602 -2.651) 3.221 8.206 ( 35.527 -5.414 -8.327) 36.890 8.475 ( -3.443 1.007 13.806) 14.264 8.748 ( 14.186 -6.716 -21.512) 26.629 9.150 ( 27.939 -14.768 -2.765) 31.723 9.324 ( -5.085 9.080 -10.214) 14.582 9.482 ( -5.514 2.498 -14.893) 16.076 9.935 ( -1.603 -23.406 10.366) 25.649 10.202 ( -4.467 -1.105 1.832) 4.953 10.356 ( 0.902 -6.210 -5.529) 8.364 10.469 ( -5.494 14.921 4.332) 16.479 10.879 ( -4.483 -19.323 0.985) 19.861 11.500 ( -10.562 -2.538 -2.782) 11.213 12.088 ( -25.542 9.948 4.397) 27.762 12.255 ( -29.989 4.571 8.540) 31.514 12.645 ( -9.092 19.771 4.068) 22.138 12.850 ( -21.442 -4.498 15.765) 26.991 13.129 ( 1.240 -11.804 8.623) 14.671 13.548 ( -1.536 2.051 2.597) 3.648 13.637 ( 4.385 -7.861 -0.200) 9.004 13.909 ( 7.433 -2.128 7.581) 10.829 14.111 ( 9.417 8.341 -1.857) 12.716 14.570 ( 3.948 -1.552 -15.649) 16.214 14.973 ( 3.069 -1.453 2.303) 4.103 15.354 ( -13.693 1.429 20.802) 24.945 15.783 ( -20.622 3.195 -5.070) 21.475 16.254 ( -5.982 4.191 5.851) 9.359 16.367 ( 12.785 0.467 -13.502) 18.601 16.492 ( 21.498 0.163 -5.697) 22.240 16.722 ( 4.407 -8.794 6.900) 12.015 16.887 ( 16.887 1.120 7.796) 18.634 17.594 ( 4.297 2.454 -2.961) 5.766 17.695 ( -6.357 -0.001 -0.768) 6.403 17.811 ( 4.928 0.978 -12.155) 13.153 18.617 ( -13.959 0.629 3.454) 14.393 18.774 ( 13.290 1.866 -0.820) 13.446 19.131 ( 9.816 1.461 -3.329) 10.468 19.228 ( -6.478 -1.309 0.597) 6.636 19.278 ( -2.685 -6.383 -1.683) 7.126 19.810 ( 7.267 1.979 -6.995) 10.279 20.696 ( -7.433 2.755 6.534) 10.273 20.865 ( -15.253 0.994 14.025) 20.745 20.991 ( -1.008 -8.490 0.442) 8.561 21.547 ( 10.112 -1.179 3.710) 10.835 21.761 ( 14.006 -2.929 2.493) 14.524 22.035 ( -1.871 2.304 6.514) 7.159 22.054 ( -1.196 2.090 4.512) 5.114 22.161 ( -0.646 -0.337 1.904) 2.038 22.227 ( -3.313 1.439 4.163) 5.512 22.489 ( -2.269 1.180 -1.380) 2.906 22.536 ( -5.240 -0.083 -3.853) 6.505 22.565 ( -5.594 0.611 -3.718) 6.745 22.820 ( -3.822 0.406 -0.901) 3.948 23.060 ( -8.323 -0.365 -0.010) 8.331 23.109 ( -3.725 -1.201 0.301) 3.925 23.330 ( -13.592 1.988 1.167) 13.786 24.031 ( 10.937 0.348 11.197) 15.656 24.127 ( 7.386 1.313 6.745) 10.088 24.407 ( -1.300 1.042 -5.616) 5.858 24.434 ( 1.814 1.037 -6.909) 7.218 24.800 ( 23.917 -0.027 -11.774) 26.658 25.665 ( 5.705 1.677 1.103) 6.048 25.955 ( -0.086 -2.938 -3.542) 4.603 26.119 ( -2.071 -1.741 -0.129) 2.709 26.269 ( -1.362 -0.830 -0.652) 1.723 26.456 ( 0.768 -1.091 4.257) 4.461 26.531 ( -2.339 1.324 4.464) 5.210 26.608 ( -6.977 -0.175 2.993) 7.594 27.109 ( 3.150 -3.178 0.477) 4.500 27.332 ( 1.130 -0.105 -1.177) 1.634 27.380 ( 2.281 0.279 -3.154) 3.902 27.399 ( 2.450 -0.867 2.767) 3.796 27.503 ( -0.344 1.463 -3.170) 3.508 27.729 ( -2.795 0.741 -2.149) 3.603 27.899 ( 0.150 -0.591 0.805) 1.010 28.012 ( -0.457 -1.755 1.976) 2.682 29.251 ( 0.528 0.215 0.970) 1.125 29.346 ( 0.623 0.777 1.737) 2.003 29.437 ( -0.479 -2.205 -0.178) 2.263 29.516 ( -1.274 1.274 0.680) 1.926 31.737 ( 1.814 -0.506 -1.761) 2.578 31.880 ( -1.143 1.657 -0.027) 2.013 31.980 ( 2.478 -0.136 0.567) 2.546 32.300 ( -2.599 0.351 2.840) 3.865 ======================= Grid point 12 (8/84) ======================= q-point: (-0.02 -0.10 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.098 ( -40.324 -27.853 -24.405) 54.749 3.272 ( -46.575 -24.265 -24.582) 57.985 4.948 ( -27.531 -24.334 -19.536) 41.615 5.146 ( 6.452 -6.327 -16.710) 18.997 5.222 ( 6.896 6.373 0.050) 9.390 5.427 ( -1.041 -1.376 -5.073) 5.359 5.588 ( -3.891 -5.475 -1.653) 6.917 6.331 ( 13.752 -8.234 -19.745) 25.432 6.613 ( -1.792 10.624 -9.891) 14.626 7.222 ( -16.412 12.680 0.248) 20.742 7.597 ( 13.764 4.254 3.286) 14.776 7.801 ( -5.679 -2.099 -8.044) 10.068 8.403 ( 0.283 -0.658 12.695) 12.716 8.518 ( -10.724 -11.192 10.527) 18.737 8.836 ( -19.719 5.524 -11.111) 23.298 9.041 ( -24.416 11.071 -11.702) 29.251 9.244 ( 5.879 -2.701 -18.980) 20.053 9.453 ( -15.734 -7.325 -13.523) 22.002 9.651 ( -14.555 22.408 0.713) 26.729 9.827 ( 7.851 36.318 -0.903) 37.168 10.169 ( -1.803 0.993 2.614) 3.328 10.289 ( 12.095 -13.413 4.602) 18.638 10.405 ( -6.072 -5.535 -4.551) 9.392 10.803 ( 1.650 14.823 0.803) 14.936 11.240 ( 14.704 -2.936 3.005) 15.292 11.428 ( 47.259 0.437 -3.362) 47.381 11.565 ( 23.209 -8.051 -10.632) 26.767 12.235 ( 25.001 2.091 2.887) 25.254 12.524 ( 14.248 -29.303 2.294) 32.664 13.161 ( -1.580 4.307 13.028) 13.812 13.473 ( 3.421 -0.976 -1.305) 3.789 13.708 ( -2.900 11.175 -2.550) 11.824 14.146 ( -15.346 3.150 10.618) 18.926 14.378 ( -14.506 -2.999 4.645) 15.524 14.726 ( -9.764 -1.431 -8.045) 12.732 14.923 ( 15.386 2.293 17.832) 23.664 15.068 ( 6.270 1.513 0.832) 6.504 15.351 ( 19.057 -3.342 -4.650) 19.899 16.174 ( 1.695 -6.391 6.779) 9.470 16.677 ( 3.811 10.950 7.488) 13.802 16.710 ( -19.925 0.248 -10.209) 22.390 16.992 ( -25.387 0.007 -4.985) 25.872 17.408 ( -27.387 -3.945 12.795) 30.485 17.484 ( 14.498 0.280 -2.010) 14.639 17.720 ( -7.293 -2.426 -2.882) 8.208 17.809 ( 3.683 -1.501 -5.149) 6.506 18.294 ( 16.137 -0.128 -0.233) 16.140 18.891 ( 22.662 5.143 6.300) 24.077 19.159 ( -23.466 -0.474 9.598) 25.357 19.292 ( -4.696 -4.486 -6.005) 8.845 19.331 ( -3.914 2.292 -3.192) 5.546 20.118 ( -22.545 0.606 -13.640) 26.357 20.340 ( 23.430 -0.418 21.844) 32.037 20.676 ( 6.370 -4.617 1.777) 8.065 20.976 ( 0.221 6.889 0.253) 6.897 21.495 ( 29.502 0.204 -9.016) 30.850 21.879 ( -6.797 0.909 -2.291) 7.230 22.004 ( 1.132 -1.193 8.282) 8.444 22.051 ( -3.838 -1.602 0.959) 4.268 22.112 ( -4.570 0.411 0.587) 4.626 22.222 ( -5.767 0.841 -3.035) 6.571 22.495 ( -8.656 1.515 6.029) 10.657 22.623 ( -4.484 -0.089 1.803) 4.834 22.679 ( -8.329 -0.531 0.840) 8.388 22.740 ( 2.607 -1.064 -1.314) 3.107 22.821 ( 14.866 -0.132 -1.119) 14.909 22.970 ( 11.636 1.089 1.623) 11.799 23.078 ( 9.136 -2.469 1.123) 9.530 24.156 ( -2.941 -1.130 7.986) 8.585 24.231 ( -2.958 0.291 6.123) 6.806 24.402 ( -0.578 -1.367 -5.135) 5.346 24.476 ( -1.803 0.366 -5.277) 5.588 25.357 ( -28.528 -0.244 -6.109) 29.176 25.814 ( -8.234 -1.444 0.846) 8.402 25.962 ( -0.988 2.547 -3.507) 4.445 26.067 ( 2.799 1.229 -0.063) 3.057 26.206 ( 4.807 -0.155 -0.491) 4.835 26.343 ( 16.055 0.932 0.721) 16.098 26.484 ( -2.007 1.228 4.210) 4.823 26.515 ( 2.361 -1.871 4.241) 5.202 27.195 ( -5.252 2.516 0.605) 5.855 27.362 ( 3.718 0.479 2.039) 4.267 27.373 ( -1.244 -0.269 -0.641) 1.425 27.443 ( -3.738 -0.030 -2.181) 4.328 27.489 ( 1.121 -0.955 -3.414) 3.718 27.645 ( 5.247 -0.439 -2.456) 5.810 27.911 ( -0.929 0.217 1.262) 1.582 27.994 ( 1.437 1.312 1.742) 2.612 29.264 ( -0.802 -0.759 0.975) 1.473 29.359 ( -0.241 0.565 2.472) 2.547 29.432 ( -0.278 1.122 -0.949) 1.496 29.484 ( 1.792 -0.949 0.412) 2.069 31.788 ( -3.147 0.823 -1.046) 3.417 31.847 ( 2.089 -1.429 -0.289) 2.548 32.049 ( -4.314 0.192 0.896) 4.410 32.228 ( 4.381 -0.304 2.280) 4.948 ======================= Grid point 13 (9/84) ======================= q-point: (-0.02 0.15 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.728 ( -24.440 -33.424 16.548) 44.590 3.861 ( -32.031 -32.386 22.755) 50.918 4.915 ( 23.910 8.142 2.359) 25.368 5.034 ( 26.300 8.758 9.910) 29.439 5.410 ( -0.021 -1.152 1.798) 2.136 5.511 ( 3.975 -0.609 3.451) 5.299 6.192 ( -10.114 -2.490 3.948) 11.139 6.280 ( -19.414 -30.696 27.512) 45.564 6.674 ( -9.473 -21.481 19.974) 30.825 6.925 ( -12.064 16.656 -1.005) 20.591 7.504 ( 5.262 4.619 -1.692) 7.203 7.797 ( 0.048 2.662 0.801) 2.780 8.376 ( 1.307 2.367 -8.749) 9.157 8.625 ( -22.574 8.824 16.037) 29.063 8.698 ( 7.670 10.881 -8.415) 15.749 8.825 ( -28.701 8.191 -1.898) 29.907 9.097 ( -8.615 13.902 3.741) 16.778 9.242 ( -19.364 13.846 10.786) 26.134 9.374 ( 5.580 -3.130 20.401) 21.381 9.589 ( -13.287 -2.570 13.007) 18.770 10.165 ( -0.469 -0.255 -1.668) 1.752 10.446 ( -1.142 12.459 -0.778) 12.535 10.611 ( 3.615 -14.710 -1.866) 15.262 10.761 ( 3.368 -22.791 -0.113) 23.039 11.174 ( 12.383 6.008 5.060) 14.664 11.419 ( 52.560 -0.106 -0.549) 52.563 11.769 ( 19.476 -7.978 4.800) 21.587 12.106 ( 30.240 9.234 -3.478) 31.809 12.730 ( -10.159 33.730 -0.674) 35.233 13.048 ( 2.508 -16.803 -6.292) 18.116 13.512 ( -0.629 8.308 -2.060) 8.583 13.638 ( 6.346 -12.599 -2.595) 14.343 14.069 ( -16.414 4.291 -14.357) 22.225 14.436 ( -11.170 -2.349 -0.253) 11.417 14.767 ( -6.420 -3.653 -2.057) 7.668 14.906 ( 10.425 -0.568 -13.544) 17.101 15.051 ( 10.152 -0.052 -0.185) 10.153 15.406 ( 19.136 -1.964 8.466) 21.017 16.349 ( 0.462 -9.896 -7.075) 12.174 16.428 ( 3.688 12.165 -6.736) 14.386 16.713 ( -19.170 -0.856 10.799) 22.019 16.994 ( -25.176 -0.184 4.569) 25.588 17.468 ( -14.679 -1.161 -10.823) 18.274 17.483 ( 4.191 -0.627 -2.641) 4.993 17.793 ( -8.354 -4.331 3.037) 9.887 17.851 ( 1.398 -2.845 5.488) 6.338 18.295 ( 17.303 0.074 -0.155) 17.304 18.742 ( 21.694 9.436 -5.397) 24.265 19.162 ( -21.051 -0.001 -7.410) 22.317 19.276 ( -3.696 2.964 4.752) 6.711 19.402 ( -7.936 -5.688 6.574) 11.771 20.106 ( -19.514 0.514 10.553) 22.191 20.342 ( 23.511 0.291 -22.989) 32.884 20.779 ( 4.086 -2.763 0.666) 4.978 20.789 ( -2.250 8.875 -0.628) 9.177 21.489 ( 25.958 0.322 5.929) 26.628 21.856 ( -3.328 1.429 4.135) 5.497 22.028 ( -3.439 -0.911 -6.142) 7.098 22.064 ( -7.475 -0.095 -3.416) 8.219 22.142 ( 0.805 -3.144 -0.511) 3.286 22.203 ( -3.250 0.947 3.026) 4.540 22.482 ( -6.219 -0.126 -4.329) 7.578 22.589 ( -4.104 2.268 -2.244) 5.198 22.719 ( -5.638 -2.530 -1.747) 6.422 22.771 ( 2.220 -1.930 0.768) 3.040 22.824 ( 13.805 -0.151 1.216) 13.859 22.961 ( 8.786 -0.274 -0.931) 8.840 23.126 ( 11.704 -2.165 -1.739) 12.029 24.181 ( -3.856 -1.007 -8.201) 9.118 24.221 ( -1.698 0.564 -6.290) 6.539 24.436 ( -0.832 -1.794 4.604) 5.011 24.466 ( 0.031 0.586 5.954) 5.983 25.365 ( -29.230 -0.471 5.793) 29.803 25.849 ( -7.488 -1.807 -0.541) 7.722 25.911 ( -1.736 2.364 3.025) 4.214 26.035 ( 1.725 1.767 0.644) 2.552 26.194 ( 4.299 1.258 0.756) 4.543 26.331 ( 15.212 0.312 -0.172) 15.216 26.455 ( -1.837 1.529 -4.087) 4.735 26.559 ( 2.870 -2.293 -4.667) 5.939 27.133 ( -6.070 3.447 -0.465) 6.996 27.365 ( -0.118 -0.537 -0.115) 0.562 27.387 ( 1.519 -1.522 0.049) 2.151 27.440 ( -3.127 0.402 2.271) 3.886 27.512 ( 1.755 -1.211 3.799) 4.356 27.654 ( 5.388 -0.438 1.519) 5.615 27.902 ( -1.781 0.558 -0.996) 2.116 27.962 ( 0.657 1.741 -1.622) 2.468 29.283 ( -1.476 -0.984 -1.421) 2.273 29.335 ( 0.936 1.610 -1.768) 2.568 29.421 ( -1.201 0.056 0.568) 1.330 29.499 ( 2.182 -0.618 -0.164) 2.274 31.769 ( -2.705 1.064 1.204) 3.146 31.883 ( 2.456 -2.041 0.019) 3.194 32.044 ( -4.243 0.269 -0.946) 4.356 32.236 ( 4.431 -0.405 -2.266) 4.993 ======================= Grid point 14 (10/84) ======================= q-point: (-0.02 0.15 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.829 ( 40.588 -0.000 48.738) 63.425 1.956 ( 46.376 -0.000 45.931) 65.272 3.169 ( 66.440 -0.000 78.983) 103.211 5.322 ( -0.876 0.000 -4.974) 5.050 5.497 ( -1.667 0.000 1.357) 2.149 5.522 ( -0.906 -0.000 -11.479) 11.514 5.835 ( -31.138 0.000 6.086) 31.728 6.602 ( -17.712 0.000 17.067) 24.597 6.688 ( 2.412 -0.000 1.359) 2.768 7.041 ( 10.528 -0.000 2.974) 10.941 7.614 ( 20.569 -0.000 5.647) 21.330 7.855 ( 16.810 -0.000 15.603) 22.935 8.033 ( -16.863 0.000 -7.304) 18.377 8.271 ( 32.395 -0.000 9.334) 33.713 8.430 ( -0.196 -0.000 -14.590) 14.592 8.828 ( 18.149 -0.000 24.971) 30.870 9.199 ( -8.965 0.000 9.710) 13.216 9.352 ( 36.989 -0.000 -5.140) 37.344 9.454 ( -7.222 0.000 17.330) 18.775 10.013 ( 4.141 -0.000 -6.073) 7.350 10.200 ( -6.029 0.000 -4.630) 7.602 10.352 ( -6.335 0.000 -1.683) 6.555 10.668 ( 1.399 -0.000 -3.751) 4.003 11.086 ( -7.501 0.000 -0.395) 7.511 11.519 ( -13.448 0.000 -0.540) 13.459 11.978 ( -24.012 0.000 -2.319) 24.124 12.103 ( -17.555 0.000 -0.478) 17.562 12.443 ( -24.555 0.000 -5.886) 25.251 12.911 ( -24.676 0.000 -16.818) 29.862 13.148 ( -0.122 -0.000 -18.045) 18.045 13.570 ( -4.710 0.000 2.971) 5.569 13.844 ( -0.124 0.000 0.815) 0.824 13.894 ( 21.780 -0.000 0.333) 21.782 13.970 ( 6.224 -0.000 -1.404) 6.380 14.588 ( 2.235 0.000 16.267) 16.419 14.999 ( 4.667 -0.000 0.198) 4.671 15.327 ( -12.791 0.000 -23.012) 26.328 15.744 ( -19.044 0.000 4.632) 19.599 16.212 ( -8.698 0.000 -6.973) 11.148 16.365 ( 13.390 -0.000 14.062) 19.417 16.491 ( 21.517 -0.000 6.006) 22.339 16.810 ( 23.676 -0.000 -7.105) 24.719 16.882 ( -2.758 0.000 -7.255) 7.762 17.569 ( 4.401 -0.000 3.180) 5.430 17.695 ( -6.406 0.000 0.659) 6.440 17.802 ( 4.882 -0.000 11.476) 12.471 18.611 ( -14.056 0.000 -3.126) 14.399 18.751 ( 13.885 -0.000 -0.739) 13.905 19.115 ( 8.671 -0.000 3.498) 9.350 19.235 ( -3.001 0.000 0.877) 3.126 19.350 ( -6.433 0.000 -0.593) 6.460 19.789 ( 8.476 -0.000 8.613) 12.084 20.662 ( -6.365 0.000 -5.137) 8.180 20.855 ( -16.859 0.000 -15.868) 23.151 21.080 ( -1.542 0.000 -0.202) 1.555 21.559 ( 10.370 -0.000 -2.263) 10.614 21.800 ( 12.686 -0.000 -4.810) 13.567 22.000 ( -0.316 0.000 -1.736) 1.764 22.037 ( -0.547 -0.000 -8.447) 8.465 22.163 ( 0.921 -0.000 -1.069) 1.411 22.213 ( -4.241 0.000 -5.471) 6.922 22.476 ( 5.651 -0.000 -1.562) 5.863 22.525 ( -22.799 0.000 10.461) 25.084 22.573 ( 3.476 -0.000 0.898) 3.590 22.819 ( -4.078 0.000 0.908) 4.178 23.064 ( -8.604 0.000 -0.020) 8.604 23.124 ( -2.731 0.000 -0.095) 2.733 23.306 ( -15.226 0.000 -1.358) 15.286 24.029 ( 10.701 -0.000 -11.273) 15.543 24.111 ( 8.502 -0.000 -6.598) 10.762 24.396 ( -1.586 0.000 5.743) 5.958 24.423 ( 2.313 -0.000 6.765) 7.150 24.801 ( 24.018 -0.000 11.864) 26.788 25.647 ( 5.698 -0.000 -1.095) 5.802 25.988 ( 0.024 0.000 3.853) 3.853 26.137 ( -2.226 0.000 -0.393) 2.261 26.279 ( -2.011 0.000 -0.004) 2.011 26.468 ( 0.792 -0.000 -4.342) 4.414 26.516 ( -0.713 0.000 -4.326) 4.384 26.611 ( -8.382 0.000 -3.151) 8.955 27.144 ( 2.808 -0.000 -0.776) 2.913 27.332 ( 1.074 -0.000 1.324) 1.704 27.377 ( 2.306 -0.000 3.290) 4.018 27.431 ( 2.704 -0.000 -7.293) 7.778 27.488 ( 0.033 0.000 2.812) 2.813 27.718 ( -2.234 0.000 2.678) 3.488 27.903 ( -0.089 -0.000 -0.703) 0.709 28.030 ( -0.608 0.000 -2.052) 2.141 29.249 ( 0.238 -0.000 -0.841) 0.875 29.335 ( 1.200 -0.000 -1.206) 1.701 29.475 ( -0.816 0.000 -1.256) 1.498 29.489 ( -1.112 0.000 0.122) 1.119 31.743 ( 1.964 -0.000 1.699) 2.597 31.863 ( -1.062 0.000 0.151) 1.072 31.981 ( 2.508 -0.000 -0.543) 2.566 32.296 ( -2.556 0.000 -2.813) 3.801 ======================= Grid point 15 (11/84) ======================= q-point: (-0.02 0.40 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.989 ( 8.343 -11.001 29.409) 32.489 4.184 ( 15.350 -1.498 39.609) 42.505 5.085 ( -1.702 3.332 4.944) 6.200 5.358 ( -1.091 -12.126 3.820) 12.760 5.513 ( 3.901 -6.354 2.950) 8.018 5.654 ( 10.536 -19.241 9.506) 23.908 5.968 ( -15.815 0.335 -3.155) 16.131 6.912 ( -0.428 -3.214 -3.961) 5.119 7.061 ( 4.360 13.307 8.867) 16.575 7.506 ( -10.635 0.252 -3.758) 11.282 7.617 ( -17.996 -3.476 -12.097) 21.961 7.941 ( 17.055 -17.937 -2.546) 24.881 8.529 ( 5.666 -1.042 46.114) 46.473 8.831 ( 12.273 18.152 18.098) 28.419 9.044 ( 16.259 10.781 16.481) 25.538 9.154 ( 12.305 12.493 20.921) 27.297 9.562 ( -2.654 6.139 35.681) 36.302 9.831 ( -5.834 -17.196 -8.164) 19.910 9.982 ( -1.761 5.880 8.090) 10.155 10.016 ( -3.202 3.136 -2.461) 5.113 10.195 ( 1.431 -5.172 0.111) 5.368 10.522 ( 3.082 -1.491 8.804) 9.446 10.661 ( 2.195 -1.730 21.711) 21.890 10.922 ( 5.008 15.849 10.315) 19.562 11.130 ( -10.073 -8.317 -17.792) 22.073 11.529 ( 3.044 -4.494 -36.229) 36.633 11.795 ( -9.248 5.930 -11.887) 16.186 12.025 ( -5.424 0.484 -18.011) 18.816 12.171 ( 7.493 -7.197 -8.218) 13.247 13.010 ( 2.000 24.420 -35.241) 42.922 13.110 ( -0.838 -17.985 -0.987) 18.031 13.816 ( 0.352 -6.474 -5.407) 8.442 13.853 ( -1.086 10.074 8.479) 13.212 13.976 ( 1.277 1.936 1.654) 2.849 14.299 ( -1.960 -2.925 -3.031) 4.645 14.723 ( -2.035 -2.127 -13.738) 14.050 15.303 ( -7.281 1.198 17.484) 18.977 15.797 ( -9.060 -5.890 -3.863) 11.476 15.887 ( -10.449 -3.884 -10.634) 15.406 16.382 ( -2.731 10.919 -6.829) 13.165 16.797 ( 14.626 -0.052 5.922) 15.779 16.866 ( 15.483 -2.073 7.326) 17.254 17.104 ( 4.756 -0.254 17.276) 17.920 17.631 ( -3.271 1.445 -4.747) 5.944 17.857 ( 3.416 -2.904 8.934) 9.996 18.223 ( -23.385 -2.974 8.756) 25.146 18.353 ( -4.471 0.437 -8.730) 9.818 18.960 ( -23.278 4.819 -11.842) 26.558 18.993 ( -3.801 -1.908 8.708) 9.691 19.442 ( -2.223 0.030 0.349) 2.250 19.517 ( 10.270 -3.235 11.383) 15.669 19.833 ( -17.740 0.093 -19.759) 26.554 20.146 ( 24.242 1.390 11.371) 26.812 20.611 ( 1.279 -5.334 -5.308) 7.633 20.987 ( -1.676 6.843 -0.272) 7.051 21.045 ( 18.713 3.055 -16.830) 25.353 21.510 ( 1.533 -1.974 -10.484) 10.778 21.601 ( 9.663 0.939 -9.255) 13.413 22.043 ( 1.057 -0.333 3.293) 3.474 22.075 ( 1.872 -2.402 0.916) 3.180 22.195 ( 5.801 0.517 3.754) 6.929 22.359 ( 8.027 -1.625 -5.192) 9.697 22.639 ( 1.537 2.887 3.914) 5.101 22.746 ( -0.873 -0.167 -4.060) 4.156 23.023 ( -17.520 0.911 6.145) 18.588 23.079 ( -6.978 -0.234 1.506) 7.143 23.098 ( -9.799 0.651 1.657) 9.960 23.258 ( -16.522 -1.819 -2.549) 16.816 23.749 ( 9.343 -0.472 -1.220) 9.434 23.897 ( 7.464 -0.531 -4.545) 8.755 24.651 ( -1.506 0.067 4.893) 5.120 24.684 ( -1.371 -1.393 5.015) 5.383 25.282 ( 15.272 0.760 9.829) 18.178 25.570 ( 8.310 -1.611 -3.737) 9.253 26.057 ( -0.668 0.405 -1.920) 2.073 26.108 ( -1.823 2.215 2.120) 3.567 26.189 ( 0.139 0.905 -6.299) 6.366 26.259 ( -1.746 -1.909 -6.171) 6.692 26.358 ( -1.564 0.860 2.212) 2.842 26.451 ( -2.908 -0.484 -3.760) 4.778 27.063 ( 2.788 1.460 -1.624) 3.541 27.357 ( -0.497 -0.667 0.518) 0.980 27.366 ( -0.714 -0.279 0.349) 0.843 27.560 ( 1.082 -0.042 4.024) 4.167 27.680 ( -0.078 -1.399 3.816) 4.065 27.850 ( -4.582 0.788 -0.369) 4.664 27.902 ( 0.766 0.900 2.803) 3.042 27.919 ( 0.321 -0.062 -1.388) 1.426 29.204 ( 0.431 0.712 -0.831) 1.176 29.242 ( 0.100 -0.279 -2.511) 2.528 29.424 ( -0.223 -1.395 -0.980) 1.719 29.503 ( -0.420 0.820 0.601) 1.100 31.870 ( -0.352 0.375 4.189) 4.220 31.887 ( -0.571 -0.909 0.376) 1.137 31.955 ( 2.046 0.306 0.144) 2.074 32.107 ( -1.067 -0.331 -5.977) 6.080 ======================= Grid point 16 (12/84) ======================= q-point: (-0.02 0.40 -0.73) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.522 ( -7.722 1.005 0.974) 7.847 4.910 ( -5.779 -14.667 -0.416) 15.770 5.141 ( 7.130 -9.409 9.889) 15.400 5.438 ( 5.071 2.938 0.660) 5.898 5.539 ( 6.050 2.430 2.301) 6.914 5.806 ( 20.307 -0.911 21.067) 29.275 6.257 ( -8.777 4.743 -0.283) 9.981 6.623 ( -7.368 5.491 1.985) 9.401 6.906 ( 13.790 -1.657 -8.166) 16.112 7.169 ( 2.383 16.617 -16.391) 23.463 7.423 ( -2.734 3.823 -7.065) 8.485 8.266 ( -16.377 -19.750 -4.393) 26.030 8.451 ( 4.590 12.421 3.420) 13.676 9.043 ( -15.935 11.147 12.934) 23.355 9.094 ( -5.915 -9.797 42.967) 44.465 9.287 ( -5.575 -10.062 49.417) 50.738 9.552 ( -9.365 9.140 5.916) 14.361 9.720 ( -6.122 -12.991 21.129) 25.547 10.089 ( -2.988 -2.496 1.917) 4.340 10.200 ( -2.719 4.616 11.326) 12.529 10.468 ( 15.142 -5.839 -5.008) 16.984 10.485 ( -0.913 -15.823 19.275) 24.954 10.707 ( -2.752 0.932 2.753) 4.002 11.097 ( 15.210 3.899 -12.140) 19.848 11.310 ( -3.627 -7.193 4.571) 9.263 11.441 ( 2.505 -11.887 -10.253) 15.897 11.678 ( -1.422 5.511 5.632) 8.007 11.891 ( 4.960 15.599 -22.599) 27.904 12.104 ( -0.399 8.499 -13.066) 15.592 12.359 ( -12.269 -4.137 -16.239) 20.769 12.741 ( -9.823 28.468 10.798) 31.993 13.716 ( 1.260 1.754 8.365) 8.639 13.937 ( 1.648 -6.839 2.474) 7.457 14.328 ( -10.299 -3.239 -17.220) 20.325 14.371 ( 10.065 -5.694 -9.203) 14.779 14.697 ( 12.486 -2.760 -13.649) 18.704 15.099 ( 0.688 3.727 11.206) 11.829 15.740 ( 7.115 -3.673 -1.675) 8.181 15.868 ( 5.182 6.335 -7.296) 10.965 16.270 ( 2.528 -10.034 -6.051) 11.987 16.969 ( -5.413 0.674 0.852) 5.521 17.187 ( -15.333 1.274 1.200) 15.433 17.253 ( -6.404 -1.496 11.465) 13.217 17.480 ( 5.307 0.965 -1.635) 5.637 18.046 ( 4.017 -3.211 4.012) 6.523 18.104 ( -2.657 -2.485 3.756) 5.229 18.156 ( 27.088 4.888 -13.208) 30.531 18.214 ( 5.656 1.135 -3.686) 6.846 19.010 ( 0.155 -0.954 1.251) 1.580 19.280 ( 13.153 1.041 -14.552) 19.642 19.584 ( 1.902 1.998 3.049) 4.111 19.672 ( 1.086 -0.228 0.473) 1.206 20.478 ( -5.687 6.789 3.942) 9.694 20.862 ( 1.077 -3.894 -0.346) 4.055 20.893 ( -26.554 -1.131 14.153) 30.111 21.137 ( -5.394 2.617 -9.771) 11.463 21.662 ( -5.106 -1.632 -5.691) 7.818 21.785 ( -14.420 2.232 -9.632) 17.484 22.112 ( 1.304 -2.538 -1.449) 3.200 22.195 ( -4.308 0.566 -3.670) 5.687 22.324 ( -8.191 0.781 6.034) 10.204 22.507 ( 15.574 -0.518 8.358) 17.683 22.561 ( 2.132 1.167 1.802) 3.025 22.653 ( -8.535 -0.924 -1.902) 8.793 22.804 ( 3.119 -2.286 -1.579) 4.177 22.894 ( 12.047 -0.831 0.236) 12.078 22.936 ( 11.242 -2.031 -1.826) 11.569 23.017 ( 11.552 0.888 -3.544) 12.116 23.914 ( -3.591 -0.417 -4.335) 5.644 23.958 ( -2.277 1.075 -4.048) 4.767 24.644 ( 0.287 -0.368 3.653) 3.682 24.675 ( 2.541 0.208 3.457) 4.295 25.626 ( -18.239 -0.572 4.658) 18.833 25.823 ( -11.389 -0.134 -2.149) 11.591 25.986 ( 0.278 1.470 2.374) 2.806 26.020 ( 0.848 1.147 1.043) 1.767 26.162 ( 0.248 -0.393 -4.722) 4.745 26.275 ( 2.014 0.131 -3.234) 3.812 26.311 ( 2.310 -0.802 -2.292) 3.351 26.338 ( 8.791 0.040 -0.735) 8.821 27.066 ( -4.121 1.664 0.669) 4.495 27.348 ( 4.406 -2.042 -2.142) 5.308 27.406 ( -3.953 0.376 0.275) 3.980 27.623 ( 0.638 -1.589 3.356) 3.767 27.677 ( 4.059 0.497 2.291) 4.687 27.702 ( 1.988 1.019 0.422) 2.273 27.876 ( -1.634 1.028 0.399) 1.971 27.942 ( -0.039 -0.554 2.399) 2.462 29.212 ( -1.147 -0.389 -1.525) 1.947 29.241 ( 0.570 0.124 -1.784) 1.877 29.402 ( -0.263 1.775 -0.246) 1.811 29.520 ( 1.062 -1.583 -0.220) 1.919 31.846 ( -0.097 0.476 2.863) 2.904 31.912 ( 1.259 -0.788 -0.050) 1.487 31.985 ( -2.457 0.340 -0.917) 2.645 32.095 ( 1.822 -0.355 -4.309) 4.692 ======================= Grid point 17 (13/84) ======================= q-point: (-0.02 -0.35 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.143 ( -18.449 0.000 -22.398) 29.018 4.563 ( -21.659 0.000 -50.097) 54.579 5.106 ( -0.680 0.000 5.070) 5.115 5.241 ( -1.301 0.000 -1.140) 1.730 5.521 ( 22.362 -0.000 -4.584) 22.827 5.578 ( 0.293 -0.000 -5.440) 5.448 5.767 ( -25.725 0.000 -7.195) 26.712 6.790 ( 5.278 -0.000 -0.616) 5.314 7.114 ( 21.580 -0.000 4.412) 22.027 7.339 ( 10.577 -0.000 33.077) 34.727 7.593 ( -17.058 0.000 -10.771) 20.174 7.898 ( -5.016 0.000 10.981) 12.072 8.694 ( -10.925 0.000 -50.716) 51.880 9.323 ( -3.298 0.000 -8.890) 9.482 9.359 ( 3.025 -0.000 -43.747) 43.852 9.466 ( 9.283 -0.000 3.070) 9.778 9.552 ( -11.371 0.000 -16.879) 20.352 9.672 ( -17.702 0.000 4.415) 18.245 10.050 ( 4.178 -0.000 -7.034) 8.181 10.126 ( -5.575 0.000 1.585) 5.796 10.156 ( -11.296 0.000 -19.715) 22.722 10.490 ( 4.743 -0.000 -1.298) 4.918 10.705 ( -2.607 0.000 -11.047) 11.351 10.827 ( 4.179 -0.000 11.376) 12.119 11.320 ( -13.947 0.000 -18.126) 22.871 11.432 ( 8.965 -0.000 13.666) 16.344 11.674 ( 6.093 -0.000 29.175) 29.804 11.831 ( 9.331 -0.000 16.585) 19.030 12.235 ( 0.159 -0.000 -10.133) 10.134 12.715 ( 10.118 -0.000 -12.942) 16.428 13.371 ( 9.397 -0.000 47.363) 48.287 13.613 ( -0.004 -0.000 -5.488) 5.488 13.910 ( -2.275 0.000 -0.406) 2.311 14.096 ( -0.429 0.000 -1.713) 1.766 14.231 ( -3.624 0.000 2.176) 4.227 14.685 ( 1.213 0.000 16.852) 16.896 15.318 ( -7.046 0.000 -15.519) 17.044 15.458 ( 16.423 -0.000 0.749) 16.440 15.742 ( 1.108 -0.000 7.481) 7.563 16.406 ( 5.456 -0.000 7.540) 9.307 16.960 ( -8.767 0.000 -0.355) 8.774 17.220 ( -6.414 0.000 -10.986) 12.722 17.233 ( -14.409 0.000 -1.743) 14.514 17.543 ( 6.393 -0.000 1.492) 6.565 17.871 ( 4.173 -0.000 -3.185) 5.249 17.964 ( -3.591 0.000 -5.374) 6.463 18.250 ( 7.996 -0.000 3.422) 8.697 18.422 ( 27.098 -0.000 15.412) 31.174 18.918 ( 0.060 -0.000 -0.883) 0.885 19.322 ( 9.621 -0.000 9.472) 13.501 19.570 ( -0.857 0.000 -5.727) 5.790 19.646 ( 2.864 -0.000 3.236) 4.321 20.518 ( 2.541 -0.000 2.783) 3.769 20.683 ( -22.090 0.000 -9.890) 24.203 21.029 ( -0.860 0.000 0.640) 1.071 21.327 ( -5.103 0.000 8.342) 9.779 21.556 ( -7.316 0.000 5.268) 9.016 21.945 ( -17.088 0.000 10.396) 20.002 22.053 ( -0.897 0.000 -1.792) 2.004 22.117 ( -6.808 0.000 3.463) 7.638 22.362 ( -4.506 0.000 -7.771) 8.982 22.524 ( -8.415 0.000 3.474) 9.103 22.544 ( 18.926 -0.000 -12.113) 22.470 22.710 ( -1.062 0.000 -1.091) 1.523 22.734 ( 1.749 -0.000 1.347) 2.207 22.834 ( 16.712 -0.000 2.718) 16.932 22.930 ( 10.235 -0.000 -1.200) 10.305 23.002 ( 6.562 -0.000 1.795) 6.803 23.868 ( -3.579 0.000 3.572) 5.056 23.998 ( -2.758 0.000 4.789) 5.526 24.624 ( 0.785 -0.000 -5.183) 5.242 24.656 ( 0.266 -0.000 -3.133) 3.144 25.656 ( -19.131 0.000 -6.448) 20.189 25.746 ( -9.910 0.000 1.578) 10.035 26.032 ( 1.510 -0.000 1.331) 2.013 26.106 ( 0.822 -0.000 -0.569) 0.999 26.177 ( 4.149 -0.000 3.698) 5.558 26.200 ( 0.735 0.000 5.906) 5.952 26.309 ( 3.449 -0.000 0.973) 3.584 26.359 ( 5.781 -0.000 0.829) 5.840 27.140 ( -2.989 0.000 3.012) 4.244 27.292 ( 3.441 -0.000 -0.526) 3.481 27.406 ( -3.535 0.000 -0.394) 3.557 27.573 ( 0.466 -0.000 -3.527) 3.558 27.667 ( -0.078 -0.000 -4.117) 4.118 27.748 ( 5.357 -0.000 0.717) 5.404 27.916 ( 0.443 -0.000 2.265) 2.308 27.930 ( -0.905 0.000 -3.558) 3.671 29.216 ( -0.291 0.000 0.603) 0.670 29.248 ( -0.171 0.000 2.793) 2.798 29.395 ( 0.542 -0.000 1.304) 1.412 29.510 ( -0.059 -0.000 -1.062) 1.064 31.863 ( 0.813 -0.000 -1.022) 1.305 31.875 ( -0.506 0.000 -2.494) 2.545 32.006 ( -2.564 0.000 0.528) 2.618 32.073 ( 1.890 -0.000 4.484) 4.866 ======================= Grid point 18 (14/84) ======================= q-point: (-0.02 -0.35 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.244 ( 10.380 12.956 -14.761) 22.215 4.369 ( 9.469 15.702 -12.877) 22.406 5.070 ( -1.896 4.120 -11.022) 11.918 5.510 ( 1.068 -0.237 0.943) 1.444 5.530 ( -2.167 5.170 -4.112) 6.952 5.929 ( -6.851 1.451 5.943) 9.185 6.261 ( 2.997 23.317 -4.378) 23.913 6.762 ( -3.284 -15.342 -8.306) 17.752 6.984 ( -1.250 1.476 4.656) 5.042 7.536 ( -2.971 -0.683 6.210) 6.918 7.576 ( -15.250 -4.796 -2.163) 16.132 8.101 ( 0.837 -11.120 7.913) 13.674 8.510 ( 5.314 6.213 -17.299) 19.134 8.599 ( 22.444 -6.677 -9.696) 25.344 8.910 ( 8.229 2.280 -40.023) 40.924 8.989 ( 12.412 -1.344 -38.284) 40.268 9.464 ( 0.711 0.712 -42.374) 42.386 9.759 ( -0.589 -16.742 -14.857) 22.392 9.945 ( 2.082 0.415 11.885) 12.073 10.221 ( -1.874 4.200 -10.280) 11.262 10.310 ( -4.682 11.107 2.402) 12.291 10.548 ( 3.197 5.304 -8.279) 10.339 10.597 ( -3.838 -3.386 -5.224) 7.313 10.891 ( 11.436 12.093 -19.255) 25.452 11.235 ( -7.746 2.663 21.568) 23.071 11.601 ( 2.137 -4.896 30.564) 31.027 11.764 ( -6.996 8.431 11.307) 15.744 11.975 ( -7.718 -4.638 17.817) 19.963 12.240 ( 6.478 -1.828 12.978) 14.620 12.487 ( 3.391 -25.056 37.328) 45.085 13.245 ( 3.455 -23.713 -13.922) 27.714 13.620 ( -1.099 7.985 -13.434) 15.667 13.863 ( -0.658 0.730 -1.432) 1.736 14.091 ( 3.043 6.222 11.086) 13.071 14.384 ( -1.845 5.635 9.838) 11.486 14.792 ( -4.679 5.007 14.731) 16.247 15.271 ( -9.678 -1.799 -17.292) 19.897 15.875 ( -14.529 1.964 7.912) 16.660 16.052 ( -2.282 8.793 6.116) 10.951 16.160 ( -2.544 -7.391 8.494) 11.544 16.786 ( 18.004 -0.755 -6.811) 19.265 16.903 ( 10.615 1.248 -6.460) 12.489 17.116 ( 4.433 1.009 -17.448) 18.031 17.600 ( -3.099 -1.604 4.808) 5.941 17.926 ( 3.144 3.732 -8.123) 9.476 18.288 ( -20.080 2.798 -6.053) 21.158 18.347 ( -9.303 0.219 5.342) 10.730 18.825 ( -21.586 -8.254 10.785) 25.502 19.034 ( -3.753 1.962 -8.119) 9.157 19.441 ( -2.016 -0.142 -0.030) 2.021 19.591 ( 9.051 3.683 -9.072) 13.334 19.826 ( -19.057 -0.616 18.895) 26.843 20.112 ( 26.947 -1.790 -13.343) 30.123 20.700 ( 4.889 -0.137 3.981) 6.306 20.832 ( 0.671 -5.500 1.031) 5.636 20.986 ( 13.661 -1.994 13.241) 19.129 21.543 ( 5.985 0.281 10.223) 11.850 21.591 ( 4.241 0.746 9.986) 10.875 22.046 ( 3.814 0.116 -4.381) 5.810 22.136 ( -0.339 3.112 1.693) 3.559 22.177 ( 4.889 -1.221 -2.423) 5.591 22.401 ( 8.004 2.310 5.473) 9.968 22.578 ( 1.611 -2.725 -3.800) 4.945 22.766 ( -1.134 2.030 3.840) 4.490 23.011 ( -15.701 -0.100 -4.523) 16.340 23.074 ( -4.939 -0.255 -0.217) 4.950 23.097 ( -13.876 0.187 -4.052) 14.456 23.290 ( -14.566 1.111 2.983) 14.910 23.764 ( 9.173 0.989 1.455) 9.340 23.904 ( 5.982 0.056 5.057) 7.833 24.654 ( -1.491 0.244 -4.545) 4.789 24.712 ( -1.765 1.317 -4.270) 4.804 25.271 ( 14.946 -0.254 -9.343) 17.627 25.599 ( 8.753 0.923 3.899) 9.626 26.026 ( 0.257 -2.665 -2.184) 3.455 26.077 ( -2.061 -0.788 0.054) 2.207 26.168 ( -0.015 -0.981 5.601) 5.686 26.296 ( -1.683 1.552 6.359) 6.758 26.340 ( -0.724 -0.713 -1.881) 2.138 26.461 ( -3.731 0.506 3.227) 4.959 27.028 ( 2.902 -1.749 0.210) 3.395 27.355 ( 1.451 -0.634 -0.371) 1.626 27.394 ( -3.075 2.141 0.554) 3.788 27.571 ( 1.248 1.188 -3.422) 3.831 27.703 ( -0.483 0.716 -3.130) 3.247 27.830 ( -4.742 -1.190 -0.107) 4.890 27.877 ( 0.916 -1.541 -1.686) 2.461 27.924 ( 0.627 0.444 -0.673) 1.022 29.191 ( 0.746 -0.422 1.114) 1.406 29.248 ( -0.257 0.291 2.309) 2.341 29.431 ( 0.228 -1.166 -0.490) 1.285 29.505 ( -0.854 1.453 0.869) 1.896 31.860 ( -0.453 -0.524 -4.234) 4.290 31.910 ( -0.668 1.277 0.161) 1.450 31.947 ( 1.994 -0.429 0.045) 2.040 32.116 ( -1.043 0.462 5.964) 6.072 ======================= Grid point 19 (15/84) ======================= q-point: (-0.04 -0.21 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 196 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.158 ( 19.487 19.905 -23.637) 36.533 4.292 ( 21.815 27.685 -18.408) 39.764 4.924 ( -7.866 -4.883 -0.202) 9.260 5.331 ( -29.108 -2.388 -15.877) 33.243 5.450 ( 0.891 2.925 -3.065) 4.329 5.551 ( -5.469 -0.347 -1.285) 5.629 6.248 ( 10.619 6.190 -2.491) 12.541 6.760 ( 1.410 -1.805 -4.827) 5.343 6.959 ( -3.174 -5.325 -3.468) 7.104 7.286 ( 14.735 30.349 -28.271) 44.017 7.504 ( 4.774 -8.631 -11.049) 14.811 8.031 ( 5.371 -7.742 -22.726) 24.602 8.185 ( -2.682 8.139 4.760) 9.803 8.461 ( -8.839 -16.036 4.532) 18.863 8.866 ( 19.378 -9.324 -7.188) 22.674 8.991 ( 22.210 -7.733 -14.861) 27.819 9.144 ( 9.694 -4.366 -3.514) 11.198 9.545 ( 13.290 -7.310 -16.011) 22.055 9.811 ( -10.002 4.406 -19.596) 22.438 9.976 ( 7.960 -2.743 -16.267) 18.317 10.170 ( 3.451 -5.666 -6.087) 9.003 10.470 ( -3.264 12.720 0.098) 13.132 10.487 ( -3.589 -1.311 2.459) 4.544 10.855 ( 10.600 16.430 -9.600) 21.782 11.258 ( -7.718 1.587 -2.191) 8.179 11.379 ( -34.612 -4.616 3.909) 35.137 11.919 ( -16.122 2.366 -6.692) 17.615 11.993 ( -20.874 -6.126 5.339) 22.400 12.615 ( 7.854 -4.254 15.190) 17.622 12.867 ( -2.372 -8.901 11.072) 14.403 13.373 ( 6.470 -19.376 10.711) 23.065 13.545 ( -1.331 12.532 4.089) 13.249 13.876 ( 6.748 -4.610 2.584) 8.571 14.394 ( 4.296 10.206 8.629) 14.039 14.509 ( -9.946 3.664 13.184) 16.917 14.825 ( 0.519 -2.628 0.719) 2.774 15.053 ( -0.953 -0.947 -0.940) 1.640 15.559 ( -18.946 5.382 -6.585) 20.767 16.179 ( -1.786 7.916 9.356) 12.385 16.261 ( -5.626 -8.976 9.041) 13.927 16.966 ( 13.374 0.879 -13.351) 18.918 17.108 ( 23.345 -0.326 -4.336) 23.747 17.156 ( 23.173 0.366 12.554) 26.358 17.506 ( -10.797 -0.931 -0.951) 10.879 17.873 ( 4.977 4.305 -4.774) 8.130 17.956 ( -3.453 2.973 -4.875) 6.673 18.280 ( -12.303 -0.455 1.499) 12.403 18.566 ( -27.027 -7.765 12.202) 30.654 19.029 ( 9.832 1.376 5.091) 11.157 19.383 ( 1.405 -0.959 -4.261) 4.588 19.547 ( 2.268 4.814 -6.864) 8.685 19.836 ( -21.774 -2.170 21.415) 30.617 20.394 ( 26.869 -2.141 -13.658) 30.217 20.762 ( -1.088 5.370 0.947) 5.560 20.810 ( 4.227 -8.406 -2.020) 9.623 21.417 ( -0.533 -3.075 9.690) 10.180 21.817 ( 0.169 2.138 11.949) 12.140 21.992 ( 7.406 -2.521 4.154) 8.858 22.029 ( -3.706 1.843 -5.544) 6.918 22.167 ( -3.950 0.921 -5.038) 6.468 22.302 ( 6.857 -0.616 -4.098) 8.012 22.353 ( -0.696 1.295 3.814) 4.088 22.575 ( 2.187 -2.457 -0.374) 3.310 22.676 ( 8.777 1.869 2.417) 9.294 22.778 ( -3.270 1.864 0.262) 3.773 22.855 ( -12.528 0.342 -1.695) 12.647 22.936 ( -10.804 0.950 1.534) 10.953 23.081 ( -11.438 1.280 2.669) 11.815 24.016 ( 5.501 1.110 7.512) 9.377 24.093 ( 1.730 -0.987 6.188) 6.501 24.536 ( 0.390 1.096 -5.270) 5.397 24.581 ( -1.243 0.040 -5.351) 5.493 25.500 ( 23.782 0.145 -6.920) 24.769 25.833 ( 8.928 1.825 0.987) 9.166 25.977 ( 1.129 -2.720 -3.128) 4.296 26.041 ( -2.552 -1.235 0.214) 2.843 26.210 ( -4.016 -0.793 -0.302) 4.105 26.323 ( -10.210 1.052 1.316) 10.348 26.352 ( 0.608 -1.617 4.778) 5.081 26.435 ( -3.363 1.358 6.927) 7.819 27.120 ( 5.266 -3.100 0.776) 6.160 27.339 ( -4.126 2.084 1.733) 4.936 27.400 ( 3.321 0.221 -0.682) 3.397 27.514 ( 1.489 0.487 -4.464) 4.731 27.604 ( -1.449 1.207 -4.664) 5.031 27.694 ( -5.409 -0.783 -2.141) 5.870 27.886 ( 1.461 -0.315 0.267) 1.518 27.930 ( -0.352 -1.248 1.021) 1.650 29.246 ( 1.290 0.341 2.043) 2.440 29.290 ( -0.743 -0.535 2.535) 2.695 29.432 ( 0.936 -1.012 -0.479) 1.460 29.493 ( -1.755 1.289 0.434) 2.220 31.804 ( 1.700 -0.879 -2.322) 3.009 31.885 ( -1.872 1.626 -0.190) 2.487 32.019 ( 3.556 -0.341 1.443) 3.853 32.172 ( -3.437 0.437 3.904) 5.220 ======================= Grid point 20 (16/84) ======================= q-point: (-0.04 -0.21 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.965 ( -22.369 0.000 -61.065) 65.033 2.977 ( -21.564 0.000 -51.001) 55.372 4.623 ( -32.837 0.000 -51.310) 60.918 5.237 ( -0.238 0.000 2.761) 2.771 5.324 ( -2.868 0.000 6.866) 7.441 5.533 ( 1.126 -0.000 -2.221) 2.490 5.947 ( 26.502 -0.000 -4.041) 26.808 6.851 ( 7.183 -0.000 -5.550) 9.077 6.916 ( -11.051 0.000 -24.678) 27.040 7.160 ( -5.372 0.000 -11.809) 12.974 7.748 ( -21.318 0.000 -3.634) 21.625 7.955 ( 18.215 -0.000 -2.516) 18.388 8.032 ( 2.272 0.000 23.157) 23.268 8.426 ( 5.261 -0.000 -42.020) 42.348 8.576 ( -25.487 0.000 -20.461) 32.684 9.098 ( -34.734 0.000 -0.646) 34.740 9.478 ( -1.303 -0.000 -17.980) 18.027 9.579 ( -2.593 0.000 -13.309) 13.559 9.864 ( 8.305 -0.000 -17.458) 19.333 9.941 ( -12.877 0.000 -10.612) 16.686 10.060 ( 5.220 -0.000 7.476) 9.118 10.301 ( 5.529 -0.000 3.697) 6.651 10.585 ( -1.960 0.000 2.924) 3.520 11.082 ( 5.176 -0.000 -0.469) 5.197 11.361 ( 20.247 -0.000 15.465) 25.478 11.972 ( 16.098 -0.000 13.838) 21.228 12.014 ( -2.411 0.000 -5.476) 5.983 12.292 ( 6.161 -0.000 14.752) 15.987 12.483 ( 14.400 -0.000 23.752) 27.777 12.789 ( 3.771 -0.000 9.008) 9.766 13.598 ( 2.342 -0.000 -0.353) 2.368 13.838 ( -2.242 0.000 -1.007) 2.458 13.936 ( -8.193 0.000 -2.599) 8.595 14.043 ( 1.322 -0.000 -4.796) 4.975 14.644 ( 4.635 0.000 43.103) 43.351 14.863 ( 2.116 -0.000 -3.849) 4.392 15.011 ( -1.845 0.000 -7.159) 7.393 15.795 ( 12.561 -0.000 0.829) 12.589 16.039 ( 11.943 -0.000 8.715) 14.784 16.646 ( -18.856 0.000 -7.436) 20.270 16.703 ( 0.846 0.000 8.051) 8.095 16.705 ( -13.865 0.000 -7.697) 15.858 16.730 ( -11.091 0.000 -11.230) 15.783 17.665 ( -4.420 0.000 -6.325) 7.717 17.700 ( 5.433 -0.000 0.599) 5.466 18.026 ( 12.376 -0.000 -9.427) 15.558 18.514 ( 9.630 -0.000 6.486) 11.611 18.813 ( -8.393 0.000 -6.324) 10.509 19.188 ( 14.187 -0.000 5.823) 15.335 19.237 ( -14.147 0.000 -9.608) 17.101 19.385 ( 0.184 -0.000 -3.672) 3.676 19.974 ( -13.998 0.000 -8.970) 16.625 20.328 ( 23.190 -0.000 25.192) 34.241 20.653 ( 3.182 -0.000 5.053) 5.972 21.073 ( 1.940 -0.000 0.482) 1.999 21.390 ( -10.394 0.000 13.090) 16.714 21.759 ( 0.414 0.000 14.918) 14.924 21.773 ( -16.238 0.000 2.483) 16.427 22.016 ( -0.383 0.000 -0.523) 0.648 22.036 ( -5.512 0.000 5.664) 7.903 22.163 ( -2.737 0.000 -0.008) 2.737 22.427 ( -6.727 0.000 3.329) 7.506 22.606 ( -2.717 0.000 -2.406) 3.630 22.764 ( 16.852 -0.000 -7.733) 18.542 22.840 ( 13.919 -0.000 -4.357) 14.585 23.065 ( 7.257 -0.000 -0.180) 7.259 23.119 ( 3.235 -0.000 0.413) 3.261 23.274 ( 16.610 -0.000 1.735) 16.701 23.833 ( -11.863 0.000 7.465) 14.017 23.989 ( -8.385 0.000 5.464) 10.008 24.523 ( 2.121 -0.000 -6.927) 7.244 24.553 ( -1.237 0.000 -6.040) 6.165 25.057 ( -19.253 0.000 -12.665) 23.045 25.613 ( -6.330 0.000 2.284) 6.729 26.072 ( 0.540 -0.000 -3.940) 3.976 26.113 ( 1.946 -0.000 2.106) 2.868 26.294 ( 2.993 -0.000 -1.049) 3.172 26.346 ( -0.622 0.000 7.299) 7.326 26.403 ( 0.248 0.000 6.100) 6.105 26.531 ( 5.585 -0.000 4.403) 7.112 27.119 ( -2.990 0.000 1.702) 3.441 27.345 ( -0.818 0.000 1.479) 1.691 27.358 ( -0.632 0.000 -0.947) 1.139 27.464 ( -1.579 0.000 -4.936) 5.183 27.571 ( 0.025 -0.000 -4.788) 4.788 27.797 ( 1.900 -0.000 -4.875) 5.232 27.887 ( 1.048 -0.000 0.753) 1.291 27.979 ( 0.371 0.000 2.872) 2.896 29.228 ( -0.193 0.000 1.050) 1.067 29.297 ( -0.734 0.000 2.533) 2.637 29.442 ( 0.667 -0.000 1.884) 1.999 29.495 ( 0.520 -0.000 -0.603) 0.796 31.794 ( -1.098 0.000 -3.368) 3.542 31.868 ( 0.829 -0.000 -0.358) 0.903 31.967 ( -2.257 0.000 0.741) 2.376 32.216 ( 1.988 -0.000 4.957) 5.341 ======================= Grid point 21 (17/84) ======================= q-point: (-0.04 0.04 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.900 ( -49.049 -41.948 -0.000) 64.540 1.972 ( -41.358 -51.185 -0.000) 65.806 3.160 ( -65.683 -87.554 -0.000) 109.453 5.383 ( 0.554 1.085 0.000) 1.218 5.409 ( 3.282 8.230 0.000) 8.860 5.622 ( 0.296 2.360 0.000) 2.378 5.724 ( 37.380 1.008 -0.000) 37.394 6.440 ( 19.143 -4.890 -0.000) 19.758 6.537 ( -0.358 14.506 0.000) 14.510 6.925 ( -11.366 7.771 0.000) 13.768 7.633 ( -38.175 7.339 0.000) 38.874 7.662 ( -2.741 -6.761 -0.000) 7.295 8.026 ( 8.611 4.250 -0.000) 9.603 8.158 ( -42.709 2.852 0.000) 42.804 8.412 ( -12.625 6.565 0.000) 14.230 8.658 ( 6.289 1.455 -0.000) 6.456 9.161 ( -33.485 22.310 0.000) 40.237 9.198 ( 12.699 -8.471 -0.000) 15.265 9.340 ( 5.427 -6.436 -0.000) 8.419 10.139 ( 6.392 43.422 0.000) 43.890 10.185 ( -1.696 -8.790 -0.000) 8.952 10.251 ( 1.465 -0.467 -0.000) 1.538 10.513 ( 5.111 -15.669 -0.000) 16.481 10.890 ( 4.409 19.298 0.000) 19.795 11.456 ( 7.534 3.633 -0.000) 8.364 12.139 ( 35.072 -9.713 -0.000) 36.392 12.336 ( 31.931 -8.518 -0.000) 33.048 12.685 ( 15.000 -19.869 -0.000) 24.895 13.029 ( 27.797 3.965 -0.000) 28.079 13.196 ( -6.704 24.859 0.000) 25.747 13.592 ( 7.480 -12.901 -0.000) 14.913 13.635 ( -2.242 5.800 0.000) 6.218 14.018 ( -9.403 1.580 0.000) 9.534 14.161 ( -18.859 -11.001 -0.000) 21.834 14.316 ( -6.519 2.726 0.000) 7.066 14.982 ( -5.116 0.160 0.000) 5.119 15.635 ( 21.116 -0.543 -0.000) 21.123 15.664 ( 18.495 -2.023 -0.000) 18.605 16.203 ( -14.554 0.485 0.000) 14.562 16.332 ( 7.248 -4.612 -0.000) 8.591 16.431 ( -21.794 -0.580 0.000) 21.802 16.794 ( -3.146 9.923 0.000) 10.410 16.995 ( -22.568 -3.170 0.000) 22.790 17.564 ( -4.122 -2.680 -0.000) 4.917 17.657 ( -12.553 0.524 0.000) 12.564 17.688 ( 5.793 -0.109 -0.000) 5.794 18.652 ( 15.868 -0.923 -0.000) 15.894 18.782 ( -13.018 0.230 0.000) 13.020 19.097 ( -8.575 -1.925 0.000) 8.788 19.209 ( -1.696 1.110 0.000) 2.027 19.284 ( 9.699 7.463 0.000) 12.238 19.729 ( -4.876 -3.836 -0.000) 6.204 20.742 ( 3.609 -3.536 -0.000) 5.053 20.979 ( 2.404 8.823 0.000) 9.145 21.061 ( 12.697 -0.406 -0.000) 12.704 21.559 ( -13.841 0.032 0.000) 13.841 21.823 ( -12.710 4.931 0.000) 13.633 22.066 ( -0.356 -4.456 -0.000) 4.470 22.149 ( 1.443 -0.687 -0.000) 1.599 22.174 ( -0.614 -0.714 -0.000) 0.941 22.221 ( 42.630 -0.207 -0.000) 42.630 22.445 ( -3.150 -0.334 0.000) 3.168 22.529 ( -6.749 -2.449 0.000) 7.180 22.553 ( -3.572 0.372 0.000) 3.592 22.807 ( 3.691 -0.424 -0.000) 3.715 23.060 ( 8.751 0.391 -0.000) 8.759 23.112 ( 3.606 1.049 -0.000) 3.756 23.343 ( 13.031 -1.836 -0.000) 13.159 24.219 ( -8.840 -0.372 0.000) 8.848 24.240 ( -7.815 -1.498 0.000) 7.957 24.295 ( 0.110 -0.999 -0.000) 1.005 24.325 ( -0.489 -0.949 -0.000) 1.067 24.656 ( -27.551 -0.082 0.000) 27.551 25.676 ( -5.554 -1.692 0.000) 5.806 25.915 ( 0.135 2.640 0.000) 2.643 26.115 ( 2.067 2.249 0.000) 3.054 26.265 ( 1.224 1.397 0.000) 1.857 26.500 ( -0.759 1.143 0.000) 1.372 26.578 ( 2.879 -1.242 -0.000) 3.136 26.641 ( 7.576 0.222 -0.000) 7.579 27.113 ( -3.174 3.454 0.000) 4.691 27.317 ( -1.253 0.006 0.000) 1.253 27.347 ( -2.674 -0.364 0.000) 2.698 27.437 ( -2.335 3.647 0.000) 4.331 27.474 ( -0.466 -0.377 -0.000) 0.599 27.709 ( 3.501 -0.886 -0.000) 3.612 27.909 ( -0.556 0.691 0.000) 0.886 28.033 ( 0.534 1.805 0.000) 1.882 29.261 ( -0.528 -0.337 -0.000) 0.626 29.364 ( -0.849 -1.380 -0.000) 1.620 29.435 ( 0.885 3.004 0.000) 3.132 29.523 ( 1.306 -1.259 -0.000) 1.814 31.719 ( -2.108 0.554 0.000) 2.179 31.880 ( 1.229 -1.779 -0.000) 2.162 31.985 ( -2.569 0.103 0.000) 2.571 32.329 ( 2.832 -0.354 -0.000) 2.854 ======================= Grid point 22 (18/84) ======================= q-point: (-0.04 0.04 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.846 ( 45.403 32.731 0.000) 55.971 2.971 ( 54.044 23.140 -0.000) 58.790 4.641 ( 71.497 49.801 0.000) 87.132 5.005 ( -31.172 -5.493 0.000) 31.652 5.252 ( -12.883 -13.602 -0.000) 18.734 5.374 ( -0.745 1.025 0.000) 1.267 5.561 ( -3.217 0.548 0.000) 3.263 6.114 ( -11.912 14.575 0.000) 18.824 6.540 ( 0.298 -15.378 -0.000) 15.381 7.227 ( 17.051 -11.303 -0.000) 20.457 7.638 ( -14.512 -5.019 0.000) 15.355 7.737 ( 4.850 6.664 0.000) 8.242 8.536 ( 6.739 -2.234 -0.000) 7.099 8.666 ( 21.323 -10.270 -0.000) 23.668 8.754 ( -15.315 7.987 0.000) 17.273 8.858 ( 45.714 0.676 -0.000) 45.719 9.030 ( 1.835 1.710 0.000) 2.508 9.250 ( 19.120 8.793 -0.000) 21.045 9.656 ( 12.112 -24.428 -0.000) 27.266 9.885 ( -19.204 -50.425 -0.000) 53.958 10.213 ( 3.838 -0.522 -0.000) 3.873 10.331 ( -2.529 16.096 0.000) 16.294 10.349 ( 0.700 8.497 0.000) 8.525 10.814 ( -2.127 -14.750 -0.000) 14.903 11.270 ( -10.458 -5.484 0.000) 11.809 11.385 ( -57.595 1.747 0.000) 57.622 11.454 ( -28.310 15.833 0.000) 32.437 12.257 ( -25.623 1.126 0.000) 25.648 12.550 ( -20.299 29.194 0.000) 35.557 13.301 ( 3.673 -15.725 -0.000) 16.148 13.448 ( -4.900 8.391 0.000) 9.717 13.678 ( 2.770 -10.522 -0.000) 10.881 14.283 ( 16.774 -2.721 -0.000) 16.993 14.496 ( 11.127 -1.115 -0.000) 11.183 14.548 ( 17.199 10.062 0.000) 19.926 15.067 ( -0.651 -2.821 -0.000) 2.895 15.167 ( -21.432 1.314 0.000) 21.472 15.263 ( -19.380 -1.670 0.000) 19.452 16.249 ( -1.420 6.631 0.000) 6.781 16.594 ( 23.159 -0.579 -0.000) 23.166 16.759 ( -2.743 -11.535 -0.000) 11.856 16.940 ( 25.833 0.063 -0.000) 25.833 17.461 ( -16.136 0.137 0.000) 16.137 17.569 ( 29.661 7.001 -0.000) 30.476 17.696 ( 9.528 1.874 -0.000) 9.711 17.721 ( -7.729 -0.074 0.000) 7.729 18.289 ( -17.932 0.349 0.000) 17.936 18.954 ( -20.584 -5.297 0.000) 21.255 19.224 ( 2.561 3.555 0.000) 4.381 19.296 ( 4.812 -3.230 -0.000) 5.795 19.300 ( 36.525 -0.740 -0.000) 36.533 19.936 ( 16.063 1.453 -0.000) 16.129 20.616 ( -10.571 4.175 0.000) 11.366 20.712 ( -18.054 0.312 0.000) 18.056 20.981 ( -0.510 -6.769 -0.000) 6.788 21.310 ( -44.108 1.081 0.000) 44.121 21.879 ( 14.668 -1.353 -0.000) 14.731 22.048 ( 6.667 1.522 -0.000) 6.839 22.103 ( -3.461 1.099 0.000) 3.631 22.124 ( 9.706 -0.451 -0.000) 9.716 22.193 ( 1.043 -0.802 -0.000) 1.316 22.547 ( 6.708 -2.409 -0.000) 7.128 22.658 ( 7.062 -1.113 -0.000) 7.149 22.701 ( 10.015 2.985 -0.000) 10.450 22.707 ( -5.766 0.862 0.000) 5.830 22.809 ( -15.586 0.129 0.000) 15.586 22.988 ( -10.245 -1.506 0.000) 10.355 23.091 ( -9.774 2.807 0.000) 10.169 24.291 ( -0.170 1.825 0.000) 1.833 24.298 ( 1.849 0.621 -0.000) 1.950 24.335 ( 0.502 0.804 0.000) 0.948 24.385 ( 5.265 -1.329 -0.000) 5.430 25.289 ( 31.189 0.421 -0.000) 31.192 25.825 ( 8.543 1.287 -0.000) 8.640 25.920 ( 0.583 -2.289 -0.000) 2.362 26.064 ( -2.576 -1.564 -0.000) 3.014 26.202 ( -4.863 -0.049 0.000) 4.863 26.351 ( -17.732 -1.076 0.000) 17.764 26.528 ( 2.134 -1.277 -0.000) 2.487 26.560 ( -2.292 1.997 0.000) 3.040 27.201 ( 5.382 -2.579 -0.000) 5.968 27.356 ( 2.565 -0.103 -0.000) 2.567 27.393 ( -5.624 -1.181 0.000) 5.747 27.422 ( 4.681 0.270 -0.000) 4.689 27.454 ( -2.051 0.472 0.000) 2.105 27.620 ( -5.303 0.845 0.000) 5.370 27.925 ( 1.094 -0.300 -0.000) 1.135 28.013 ( -1.588 -1.354 -0.000) 2.087 29.275 ( 0.789 0.904 0.000) 1.200 29.395 ( 2.155 0.774 -0.000) 2.290 29.410 ( -1.615 -2.640 -0.000) 3.095 29.489 ( -1.958 0.931 0.000) 2.168 31.778 ( 3.549 -0.914 -0.000) 3.665 31.844 ( -2.270 1.538 0.000) 2.742 32.058 ( 4.565 -0.164 -0.000) 4.568 32.252 ( -4.720 0.302 0.000) 4.730 ======================= Grid point 23 (19/84) ======================= q-point: (-0.04 0.29 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.559 ( 35.237 -0.000 46.852) 58.624 3.591 ( 36.703 -0.000 30.227) 47.548 5.148 ( 5.988 -0.000 8.277) 10.216 5.243 ( 0.414 -0.000 -1.327) 1.390 5.405 ( -22.630 0.000 3.970) 22.976 5.501 ( -2.086 0.000 3.033) 3.681 5.565 ( 28.733 -0.000 14.998) 32.412 6.664 ( -11.469 0.000 13.966) 18.072 7.041 ( -0.926 0.000 18.716) 18.738 7.427 ( 19.655 -0.000 5.227) 20.338 7.712 ( -2.616 0.000 21.358) 21.518 7.934 ( -6.310 0.000 -23.075) 23.922 8.110 ( 2.010 -0.000 -10.544) 10.734 8.353 ( 3.604 0.000 38.880) 39.047 9.138 ( 28.433 -0.000 14.398) 31.871 9.495 ( -2.883 0.000 -1.973) 3.494 9.540 ( -8.572 0.000 9.227) 12.594 9.711 ( 11.261 -0.000 23.796) 26.326 9.795 ( 22.500 -0.000 -7.338) 23.666 9.925 ( -8.164 0.000 1.171) 8.248 10.129 ( -6.670 0.000 0.075) 6.671 10.330 ( 18.504 -0.000 11.959) 22.032 10.610 ( -0.765 0.000 -1.215) 1.436 10.998 ( 0.149 0.000 9.682) 9.683 11.019 ( -12.874 0.000 -7.559) 14.929 11.493 ( -28.662 0.000 1.376) 28.695 11.848 ( -17.241 0.000 18.426) 25.234 12.127 ( -10.563 0.000 -1.003) 10.610 12.160 ( -16.071 0.000 -10.838) 19.384 12.710 ( -3.213 0.000 -19.990) 20.247 13.543 ( -2.527 0.000 2.700) 3.698 13.883 ( 1.682 -0.000 1.719) 2.405 14.087 ( 7.253 -0.000 -1.466) 7.400 14.128 ( 2.355 -0.000 -20.632) 20.766 14.468 ( -5.235 0.000 -23.639) 24.212 14.898 ( 4.971 -0.000 0.518) 4.998 15.072 ( 4.380 -0.000 4.770) 6.475 15.393 ( -22.861 0.000 5.251) 23.456 15.931 ( -1.976 0.000 -10.110) 10.301 16.599 ( -5.531 0.000 -10.790) 12.125 16.961 ( 13.343 -0.000 13.006) 18.633 17.101 ( 24.031 -0.000 -11.740) 26.746 17.125 ( 22.828 -0.000 7.182) 23.931 17.535 ( -10.875 0.000 1.824) 11.027 17.777 ( 5.035 -0.000 5.001) 7.097 17.880 ( -3.549 0.000 3.851) 5.237 18.291 ( -11.422 0.000 -0.878) 11.455 18.740 ( -28.675 0.000 -13.773) 31.811 18.972 ( 10.869 -0.000 -5.984) 12.408 19.400 ( 0.199 -0.000 1.064) 1.083 19.410 ( 2.783 -0.000 9.165) 9.578 19.886 ( -18.945 0.000 -19.828) 27.423 20.435 ( 28.297 -0.000 14.351) 31.728 20.574 ( -4.583 0.000 -2.680) 5.309 21.038 ( -0.652 0.000 -0.382) 0.756 21.501 ( -1.927 0.000 -7.446) 7.691 21.757 ( 0.584 -0.000 -12.741) 12.754 22.011 ( 1.114 -0.000 4.079) 4.228 22.031 ( 0.721 -0.000 0.492) 0.873 22.159 ( -4.829 0.000 6.522) 8.116 22.302 ( 14.197 -0.000 -4.272) 14.826 22.349 ( -0.312 0.000 1.239) 1.277 22.576 ( 6.830 -0.000 -1.730) 7.045 22.691 ( 5.825 -0.000 0.526) 5.848 22.749 ( -3.157 0.000 0.135) 3.160 22.847 ( -14.235 0.000 1.185) 14.284 22.940 ( -15.390 0.000 -2.117) 15.534 23.031 ( -5.702 0.000 -1.043) 5.796 23.984 ( 4.059 -0.000 -7.427) 8.463 24.109 ( 3.455 -0.000 -6.028) 6.947 24.505 ( 0.189 0.000 6.192) 6.195 24.576 ( 0.702 -0.000 4.537) 4.591 25.507 ( 23.556 -0.000 7.993) 24.875 25.775 ( 8.705 -0.000 -1.311) 8.803 26.064 ( -2.785 0.000 -1.350) 3.095 26.068 ( 0.477 -0.000 3.042) 3.079 26.206 ( -5.762 0.000 0.183) 5.765 26.322 ( -9.392 0.000 -3.825) 10.141 26.387 ( -1.303 0.000 -5.796) 5.941 26.395 ( -1.655 0.000 -4.155) 4.473 27.196 ( 4.321 -0.000 -2.136) 4.821 27.307 ( -4.322 0.000 -2.214) 4.856 27.391 ( 2.854 -0.000 1.029) 3.034 27.501 ( 1.759 -0.000 3.408) 3.835 27.568 ( -0.427 0.000 5.163) 5.181 27.717 ( -5.023 0.000 3.819) 6.310 27.889 ( 0.793 -0.000 -0.223) 0.824 27.963 ( -1.255 0.000 -2.380) 2.691 29.235 ( 0.522 -0.000 -1.145) 1.258 29.309 ( 0.239 -0.000 -3.027) 3.036 29.427 ( -0.808 0.000 -1.664) 1.850 29.487 ( -0.083 0.000 1.215) 1.217 31.827 ( 2.147 -0.000 2.018) 2.946 31.844 ( -1.454 0.000 0.798) 1.658 32.028 ( 3.647 -0.000 -1.313) 3.876 32.161 ( -3.398 0.000 -3.946) 5.207 ======================= Grid point 24 (20/84) ======================= q-point: (-0.04 0.29 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.849 ( -11.043 -31.657 26.164) 42.528 3.902 ( -15.115 -38.106 27.704) 49.478 5.011 ( 1.640 2.981 -3.950) 5.213 5.448 ( 0.523 -2.716 4.272) 5.090 5.539 ( 0.992 -0.112 -1.098) 1.484 5.948 ( 15.715 -7.501 4.495) 17.984 6.105 ( -0.306 -29.383 13.309) 32.258 6.571 ( -7.170 9.028 12.975) 17.357 6.878 ( -12.160 -3.415 42.683) 44.513 7.163 ( 8.745 -7.890 3.312) 12.235 7.584 ( 1.215 17.049 3.990) 17.551 7.964 ( 0.999 0.807 27.680) 27.710 8.198 ( -7.298 -0.344 -4.158) 8.406 8.265 ( -15.080 -1.978 2.443) 15.404 8.406 ( -18.840 4.194 20.522) 28.172 8.726 ( -16.825 11.606 3.110) 20.675 8.978 ( 2.951 17.286 4.838) 18.191 9.496 ( 3.676 3.130 14.182) 14.981 9.792 ( -9.139 8.567 28.976) 31.568 9.917 ( 1.490 3.157 22.742) 23.009 10.119 ( -1.096 1.853 -2.828) 3.555 10.443 ( 0.356 11.453 1.199) 11.521 10.624 ( 0.741 -15.705 1.132) 15.763 10.780 ( 2.977 -24.536 -5.938) 25.419 11.471 ( 13.116 2.455 -1.847) 13.471 11.963 ( 21.025 2.863 -17.847) 27.727 12.159 ( 5.933 -7.956 -11.633) 15.291 12.389 ( 11.579 3.791 -20.127) 23.527 12.496 ( 0.941 12.189 -9.228) 15.317 12.857 ( -3.066 14.675 -6.600) 16.380 13.257 ( -4.222 19.393 -14.919) 24.829 13.537 ( -1.619 -8.326 -2.608) 8.874 13.834 ( 0.891 -0.856 0.465) 1.320 14.257 ( -5.432 -6.170 -3.212) 8.825 14.698 ( 4.984 -5.790 -19.325) 20.780 14.841 ( 5.601 1.987 11.194) 12.674 15.113 ( 1.109 -3.037 -5.594) 6.461 15.939 ( 17.846 -3.736 1.119) 18.267 16.225 ( 2.266 -6.780 -9.663) 12.020 16.359 ( 2.744 6.371 -9.461) 11.731 16.634 ( -21.557 0.316 7.595) 22.858 16.731 ( -9.662 -0.953 19.364) 21.661 16.803 ( -10.903 -0.115 0.837) 10.936 17.657 ( 3.424 0.523 -1.191) 3.662 17.783 ( -2.355 -3.654 5.934) 7.356 18.096 ( 12.302 -2.948 10.764) 16.610 18.517 ( 10.096 -0.158 -7.587) 12.630 18.904 ( -4.973 -2.351 5.458) 7.749 18.991 ( 14.197 9.770 -5.828) 18.193 19.330 ( -16.146 -2.932 10.964) 19.736 19.350 ( -5.738 -0.190 8.413) 10.185 19.943 ( -11.366 1.309 5.181) 12.559 20.321 ( 24.385 0.453 -26.072) 35.701 20.740 ( -0.873 8.475 -1.442) 8.641 20.839 ( 2.213 -0.906 -0.218) 2.401 21.284 ( -11.385 3.669 -14.379) 18.704 21.736 ( -12.929 0.589 -3.650) 13.447 21.830 ( -0.536 -2.004 -12.923) 13.089 21.990 ( -3.129 0.946 -3.043) 4.466 22.149 ( 0.360 -2.697 -0.083) 2.722 22.195 ( -2.984 -2.205 -3.024) 4.787 22.495 ( -6.986 -2.609 -3.691) 8.321 22.525 ( -1.351 2.377 1.413) 3.077 22.780 ( 15.888 -1.060 6.307) 17.127 22.870 ( 13.059 -2.068 3.920) 13.790 23.056 ( 7.104 0.294 0.458) 7.125 23.083 ( 4.850 0.348 -0.192) 4.866 23.338 ( 12.330 -1.443 -1.924) 12.562 23.851 ( -11.616 -1.010 -7.266) 13.738 24.019 ( -5.247 -0.693 -6.218) 8.166 24.543 ( 1.173 -0.805 5.849) 6.020 24.600 ( 0.687 -1.663 6.472) 6.717 25.050 ( -19.048 0.129 12.213) 22.627 25.665 ( -6.810 -1.471 -2.579) 7.429 25.960 ( -0.427 3.713 3.728) 5.279 26.088 ( 1.856 1.383 -0.099) 2.317 26.268 ( 1.988 1.134 -0.732) 2.403 26.327 ( -1.119 1.050 -4.148) 4.423 26.446 ( 2.487 -2.024 -7.040) 7.736 26.531 ( 4.577 0.265 -3.783) 5.944 27.032 ( -3.245 3.223 -0.123) 4.575 27.342 ( -1.325 0.851 0.786) 1.760 27.410 ( 1.759 -3.488 -0.967) 4.024 27.479 ( -1.499 -0.829 5.226) 5.499 27.625 ( 0.607 -1.989 4.431) 4.895 27.789 ( 3.152 0.545 2.935) 4.341 27.867 ( -0.077 1.153 -0.337) 1.204 27.930 ( -0.294 1.841 -1.403) 2.333 29.223 ( -0.931 0.101 -1.829) 2.055 29.301 ( 0.334 0.094 -2.650) 2.673 29.420 ( -0.281 1.082 0.597) 1.267 29.523 ( 1.156 -1.364 -0.840) 1.976 31.779 ( -0.825 0.592 3.479) 3.624 31.915 ( 1.056 -1.878 -0.347) 2.182 31.960 ( -2.155 0.265 -0.881) 2.343 32.228 ( 2.010 -0.448 -4.968) 5.378 ======================= Grid point 25 (21/84) ======================= q-point: (-0.04 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.344 ( -3.534 3.155 -7.709) 9.048 4.674 ( -11.348 -17.578 -9.393) 22.935 5.261 ( 1.456 -1.241 -6.215) 6.503 5.510 ( 4.635 2.959 -3.355) 6.442 5.599 ( -3.659 0.045 -11.083) 11.672 5.877 ( 10.114 -6.572 2.363) 12.291 5.982 ( -8.967 24.590 -25.385) 36.462 6.787 ( -1.182 -1.646 8.035) 8.287 7.066 ( 10.501 8.699 21.673) 25.606 7.228 ( 1.651 -1.698 -3.782) 4.462 7.623 ( 27.545 0.446 -1.347) 27.582 7.814 ( -21.358 17.988 5.917) 28.544 8.740 ( 7.578 -18.168 5.025) 20.317 8.939 ( -26.810 -12.062 1.682) 29.447 9.368 ( -1.065 10.980 25.252) 27.557 9.555 ( -4.966 -4.189 -14.927) 16.279 9.702 ( -2.981 0.739 11.192) 11.606 9.918 ( -5.912 -0.895 -0.121) 5.981 10.315 ( -3.683 7.427 -34.421) 35.405 10.406 ( 2.967 -8.109 -4.253) 9.625 10.474 ( 7.851 -8.223 -12.774) 17.100 10.592 ( 0.242 -0.500 -5.228) 5.257 10.760 ( -1.062 5.878 5.248) 7.952 10.844 ( -2.530 -6.538 -9.414) 11.737 10.946 ( 7.046 -0.495 -6.683) 9.724 11.186 ( -2.349 -13.899 5.936) 15.295 11.693 ( -7.419 8.035 14.609) 18.249 11.733 ( 6.152 0.836 -6.076) 8.687 11.944 ( -8.136 10.450 8.075) 15.511 12.065 ( -13.554 -10.417 32.468) 36.693 13.110 ( 0.218 22.575 14.155) 26.647 13.848 ( -3.561 3.029 -11.657) 12.560 13.887 ( 0.097 1.752 2.221) 2.830 14.053 ( -1.556 -4.112 7.121) 8.369 14.353 ( 4.131 -11.312 -7.538) 14.208 14.597 ( 7.337 -1.495 -9.085) 11.773 15.588 ( 15.684 1.039 15.379) 21.991 15.653 ( 9.374 -1.134 -15.443) 18.101 15.807 ( 2.770 8.292 -2.949) 9.226 16.292 ( 3.991 -10.970 1.772) 11.807 16.858 ( -16.109 0.719 0.714) 16.141 16.973 ( -15.441 0.222 -1.806) 15.548 17.375 ( -0.372 -1.116 -5.897) 6.013 17.482 ( 1.020 0.578 6.773) 6.874 18.060 ( -1.662 0.991 -9.891) 10.078 18.174 ( -0.619 -0.821 7.160) 7.234 18.438 ( 25.945 5.166 -11.585) 28.880 18.666 ( 31.700 -3.649 15.915) 35.658 19.226 ( 10.982 0.984 -14.020) 17.836 19.278 ( 8.709 -0.847 12.286) 15.084 19.647 ( 1.611 0.857 -2.013) 2.717 19.678 ( 2.310 1.153 -0.701) 2.675 20.425 ( -20.117 1.643 4.277) 20.632 20.464 ( -25.843 1.600 -7.797) 27.041 20.726 ( -14.731 2.158 11.698) 18.934 20.980 ( 1.753 -5.195 0.477) 5.504 21.401 ( -4.473 1.711 -0.467) 4.812 21.506 ( -3.830 -1.409 -0.696) 4.140 22.074 ( -0.486 1.012 -0.866) 1.418 22.121 ( 1.285 -0.519 -2.848) 3.167 22.240 ( -9.038 1.547 6.382) 11.171 22.311 ( -8.279 -1.000 -6.678) 10.684 22.645 ( -1.084 0.290 5.412) 5.527 22.731 ( -0.188 -2.949 -4.817) 5.651 23.054 ( 6.914 -1.104 0.377) 7.012 23.079 ( 4.628 -0.420 0.181) 4.650 23.186 ( 19.096 0.869 2.875) 19.331 23.217 ( 17.325 0.532 -4.169) 17.828 23.771 ( -5.855 -0.514 -2.072) 6.232 23.829 ( -7.887 0.789 1.038) 7.994 24.703 ( 1.198 0.034 -0.078) 1.201 24.755 ( 2.861 0.230 -1.456) 3.218 25.408 ( -11.885 -1.775 1.091) 12.066 25.514 ( -11.395 2.098 -1.683) 11.708 26.027 ( -0.139 0.849 1.143) 1.431 26.085 ( 1.390 -0.099 2.401) 2.776 26.122 ( 0.542 -0.038 2.404) 2.464 26.210 ( 1.691 -0.085 -3.146) 3.573 26.378 ( 0.322 0.083 2.432) 2.455 26.417 ( 3.441 -0.394 -2.350) 4.185 27.030 ( -2.359 -0.306 1.582) 2.857 27.354 ( -1.583 0.282 0.630) 1.727 27.391 ( 3.261 -0.215 -1.999) 3.831 27.620 ( -0.957 -1.260 -1.702) 2.324 27.724 ( 0.101 1.438 -0.186) 1.453 27.828 ( 4.627 -0.496 1.226) 4.813 27.876 ( -0.370 1.361 1.792) 2.281 27.956 ( -0.658 -1.125 -0.783) 1.520 29.187 ( -0.653 -0.484 0.791) 1.134 29.221 ( 0.175 0.077 -0.616) 0.645 29.406 ( 0.140 1.924 0.660) 2.039 29.520 ( 0.433 -1.501 -1.016) 1.864 31.894 ( 0.587 0.514 -0.073) 0.784 31.921 ( 0.713 -0.504 -0.755) 1.154 31.990 ( -0.468 0.352 5.246) 5.279 32.008 ( -0.629 -0.358 -5.132) 5.183 ======================= Grid point 26 (22/84) ======================= q-point: (-0.04 0.54 -0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.491 ( 9.931 -5.184 4.944) 12.245 4.871 ( 6.889 12.446 4.124) 14.811 5.229 ( -1.243 3.379 2.347) 4.298 5.427 ( -3.888 -4.807 3.893) 7.306 5.592 ( -11.680 -4.177 -2.311) 12.618 5.759 ( 7.288 5.443 17.814) 20.002 6.207 ( 13.624 -15.724 14.817) 25.542 6.770 ( -8.853 -5.722 -17.707) 20.607 6.821 ( -8.389 -8.175 -9.698) 15.207 7.083 ( -17.196 -7.754 -3.434) 19.174 7.320 ( 2.028 14.998 5.276) 16.028 8.210 ( 15.591 -2.805 -0.203) 15.842 8.558 ( -6.653 6.888 -6.560) 11.608 9.325 ( 3.836 -12.941 -14.631) 19.906 9.505 ( 15.356 17.862 -2.690) 23.709 9.659 ( 5.060 0.885 1.392) 5.322 9.797 ( 6.430 5.739 2.716) 9.036 10.049 ( 7.159 -0.958 -0.751) 7.262 10.245 ( -11.073 9.407 0.276) 14.532 10.348 ( -2.802 8.859 7.121) 11.707 10.408 ( 1.924 -4.452 26.225) 26.669 10.593 ( 0.088 -1.517 -0.677) 1.664 10.804 ( -2.149 -13.284 -8.966) 16.170 10.858 ( 4.586 -6.433 15.265) 17.188 10.902 ( 3.425 5.150 -0.928) 6.254 11.199 ( -0.455 13.776 -7.764) 15.820 11.522 ( -14.204 -2.934 8.112) 16.618 11.852 ( 7.998 -8.511 4.571) 12.541 12.201 ( 13.841 -1.370 -15.280) 20.662 12.316 ( 9.206 11.951 -24.149) 28.474 13.089 ( -1.713 -23.205 -7.511) 24.450 13.889 ( 1.383 -2.011 -0.882) 2.595 13.894 ( -0.717 -1.922 8.463) 8.708 14.092 ( 2.652 4.599 -4.011) 6.653 14.229 ( -7.444 8.955 10.503) 15.682 14.408 ( -10.105 1.456 1.449) 10.312 15.365 ( -5.089 -4.296 -12.171) 13.874 15.592 ( 3.205 3.947 13.440) 14.369 15.751 ( -2.178 -7.486 1.421) 7.925 16.205 ( -3.470 10.410 -0.592) 10.989 17.078 ( 2.434 0.192 3.204) 4.028 17.156 ( -1.223 -1.340 -4.842) 5.170 17.388 ( 0.840 0.383 4.083) 4.186 17.456 ( -1.401 0.312 -4.659) 4.875 17.962 ( -15.057 -3.414 4.927) 16.207 18.099 ( -0.253 -0.135 3.963) 3.973 18.130 ( -12.824 1.840 -3.713) 13.477 18.200 ( 0.848 1.708 -4.471) 4.861 19.034 ( -7.932 -1.762 8.254) 11.583 19.112 ( -7.755 1.018 -8.120) 11.274 19.638 ( 0.116 -1.361 -0.751) 1.558 19.659 ( -0.351 -0.896 1.331) 1.642 20.537 ( 0.420 -6.867 -2.421) 7.293 20.823 ( 4.918 2.229 4.160) 6.816 21.007 ( 6.449 0.186 2.638) 6.970 21.132 ( 14.294 3.317 -8.355) 16.886 21.593 ( 15.500 -1.252 6.067) 16.692 21.698 ( 17.556 1.340 -7.512) 19.143 22.078 ( -0.404 1.167 1.617) 2.035 22.133 ( 2.522 -1.114 1.648) 3.212 22.446 ( 9.115 -1.086 -5.312) 10.606 22.491 ( 7.909 0.460 5.168) 9.459 22.663 ( -0.561 0.324 -1.351) 1.498 22.679 ( -13.624 0.486 -3.989) 14.204 22.778 ( -8.938 1.252 1.088) 9.090 22.791 ( -16.025 1.021 6.234) 17.225 22.953 ( -8.173 0.203 -0.051) 8.175 22.971 ( -8.832 -0.314 -0.199) 8.840 23.857 ( 2.756 -0.687 1.184) 3.077 23.929 ( 2.528 0.027 -1.255) 2.822 24.682 ( -0.701 0.228 0.272) 0.785 24.706 ( -1.851 -0.664 0.495) 2.028 25.685 ( 14.044 1.294 -0.800) 14.126 25.780 ( 13.725 -1.288 1.712) 13.891 26.022 ( -1.517 -0.396 -0.679) 1.708 26.056 ( -0.303 0.063 -2.336) 2.356 26.113 ( -0.456 -0.421 -1.210) 1.360 26.185 ( -0.469 -0.260 2.562) 2.617 26.311 ( -6.804 0.635 0.502) 6.852 26.338 ( -4.119 0.145 -0.754) 4.190 27.091 ( 3.466 -0.537 -1.773) 3.930 27.308 ( -4.536 1.006 1.610) 4.917 27.411 ( 4.182 -0.246 -0.101) 4.190 27.631 ( -1.287 0.405 1.768) 2.224 27.709 ( -3.965 0.110 -0.488) 3.996 27.721 ( -1.423 -0.369 -1.083) 1.826 27.892 ( 0.771 -1.432 -1.093) 1.959 27.967 ( 0.364 1.210 0.568) 1.385 29.201 ( 0.669 0.494 -0.437) 0.939 29.217 ( -0.242 0.014 0.320) 0.401 29.403 ( -0.104 -2.223 -0.413) 2.264 29.511 ( -0.444 1.703 0.646) 1.875 31.882 ( -0.519 -0.489 -0.282) 0.767 31.907 ( -0.595 0.486 0.778) 1.094 31.999 ( 0.394 -0.413 -2.713) 2.772 32.020 ( 0.515 0.420 2.626) 2.709 ======================= Grid point 27 (23/84) ======================= q-point: (-0.06 -0.31 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.564 ( -8.470 -6.264 -6.216) 12.232 4.933 ( -8.437 9.450 -5.506) 13.813 5.111 ( 5.639 -1.388 -13.670) 14.853 5.177 ( -11.014 1.146 -12.834) 16.951 5.419 ( -1.869 -8.691 -3.620) 9.598 5.597 ( -3.072 -0.096 -11.074) 11.493 6.370 ( -13.114 -9.118 -3.870) 16.434 6.632 ( 5.527 1.425 1.570) 5.919 6.838 ( 12.761 -8.854 5.159) 16.366 7.230 ( 5.188 -6.042 23.584) 24.892 7.434 ( -4.159 11.075 10.435) 15.775 8.313 ( -0.362 5.824 -3.711) 6.915 8.600 ( 6.703 -2.557 4.795) 8.629 9.081 ( -5.742 4.902 -55.963) 56.470 9.334 ( 12.158 -10.729 -8.810) 18.454 9.416 ( 7.741 4.753 -40.875) 41.872 9.722 ( -5.905 10.933 -4.140) 13.097 9.751 ( 8.021 -2.476 -1.430) 8.515 9.926 ( -16.673 11.550 -10.589) 22.880 10.229 ( -3.256 9.768 1.720) 10.439 10.334 ( -0.037 -4.443 -3.216) 5.485 10.519 ( -1.516 5.874 -12.842) 14.203 10.704 ( -7.082 -8.569 -5.422) 12.369 10.928 ( 8.006 -6.786 -2.447) 10.777 11.219 ( -5.514 4.339 3.792) 7.976 11.381 ( -3.575 12.410 -0.537) 12.926 11.736 ( -3.900 -8.154 31.656) 32.921 11.854 ( -0.746 -5.066 -9.793) 11.051 12.115 ( 8.195 -7.410 -11.882) 16.225 12.650 ( 14.922 4.656 5.326) 16.514 12.971 ( 11.256 -13.619 12.901) 21.877 13.722 ( 2.155 -3.279 -5.662) 6.889 13.903 ( -0.970 3.428 0.293) 3.575 14.141 ( -10.372 4.669 2.987) 11.760 14.419 ( -12.741 0.415 15.220) 19.853 14.546 ( 8.645 5.127 17.987) 20.604 15.232 ( 12.331 -6.683 -8.213) 16.253 15.511 ( -14.295 4.681 -12.016) 19.252 15.806 ( -0.754 -7.075 7.022) 9.996 16.233 ( 0.256 9.853 5.936) 11.506 17.215 ( -1.501 -0.641 12.629) 12.734 17.234 ( 3.793 -0.571 14.204) 14.713 17.363 ( -7.248 -0.313 -2.274) 7.603 17.391 ( 7.040 1.194 -4.421) 8.398 17.834 ( -0.826 -3.401 -1.022) 3.646 18.000 ( 2.226 3.089 -0.295) 3.819 18.095 ( -5.726 -1.485 -3.111) 6.683 18.185 ( 3.980 2.128 -3.095) 5.473 19.036 ( -9.423 -1.941 8.814) 13.048 19.105 ( 9.192 0.951 7.886) 12.148 19.589 ( 1.021 -2.151 -4.948) 5.491 19.644 ( -1.322 0.027 -1.086) 1.711 20.541 ( 2.290 -7.016 0.243) 7.385 20.837 ( -1.349 4.333 -0.398) 4.556 21.143 ( -5.273 -2.009 4.402) 7.157 21.278 ( 8.093 3.137 0.887) 8.725 21.844 ( -15.332 -0.818 -2.246) 15.517 21.904 ( 15.813 1.681 -6.592) 17.215 22.068 ( 2.012 -1.235 -4.817) 5.364 22.123 ( -0.985 0.573 -1.527) 1.905 22.408 ( 9.198 0.032 7.618) 11.943 22.452 ( -10.840 0.782 7.030) 12.944 22.633 ( 6.047 -0.101 -2.981) 6.742 22.639 ( -3.692 0.023 -2.705) 4.577 22.731 ( -4.831 0.309 -0.901) 4.924 22.754 ( -2.422 0.060 0.961) 2.606 22.830 ( -4.041 1.024 1.327) 4.375 22.848 ( 5.682 0.592 2.271) 6.148 23.932 ( -1.195 -1.825 4.473) 4.976 24.000 ( 1.392 0.983 4.617) 4.922 24.635 ( -1.064 -0.484 -3.954) 4.123 24.649 ( 0.423 0.098 -3.219) 3.248 25.880 ( -0.597 -0.824 0.604) 1.183 25.951 ( 1.897 2.650 0.717) 3.337 25.994 ( -3.439 -1.193 -2.533) 4.435 26.061 ( 3.135 1.456 -0.349) 3.474 26.097 ( 2.172 -3.371 -0.093) 4.011 26.192 ( -3.572 0.649 -0.719) 3.701 26.249 ( 0.839 -0.150 4.115) 4.202 26.285 ( 0.441 0.759 4.155) 4.246 27.154 ( 3.735 -1.878 1.165) 4.340 27.259 ( -3.356 2.319 1.291) 4.279 27.501 ( 0.312 -0.766 -1.471) 1.687 27.525 ( -1.231 0.298 -0.539) 1.377 27.667 ( 0.181 -0.357 -3.980) 4.000 27.686 ( 0.540 0.435 -0.634) 0.940 27.905 ( 1.116 -0.644 0.503) 1.383 27.937 ( -0.529 0.632 -2.598) 2.726 29.224 ( -0.313 -0.014 1.278) 1.316 29.236 ( 0.437 0.469 2.201) 2.292 29.409 ( 0.452 -2.082 0.670) 2.233 29.501 ( -0.681 1.629 -0.459) 1.824 31.854 ( 0.724 -0.629 -1.690) 1.943 31.886 ( -1.136 0.632 -1.075) 1.687 32.034 ( 2.361 -0.359 2.548) 3.492 32.053 ( -2.369 0.371 2.296) 3.320 ======================= Grid point 28 (24/84) ======================= q-point: (-0.06 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.951 ( 0.000 13.234 -33.019) 35.573 3.978 ( 0.000 -2.199 -41.254) 41.313 5.109 ( 0.000 -4.793 -5.343) 7.178 5.393 ( 0.000 7.190 -3.448) 7.974 5.417 ( 0.000 40.597 -16.044) 43.652 5.568 ( 0.000 -1.481 -1.147) 1.873 6.136 ( -0.000 -7.778 6.858) 10.370 6.890 ( -0.000 -1.573 3.934) 4.236 7.056 ( 0.000 -0.192 -10.352) 10.353 7.601 ( -0.000 0.849 13.596) 13.622 7.714 ( 0.000 14.327 2.231) 14.499 8.010 ( 0.000 11.032 -24.565) 26.928 8.247 ( -0.000 -12.689 -4.293) 13.395 8.759 ( 0.000 -0.885 -35.978) 35.989 8.822 ( 0.000 -6.842 -34.730) 35.398 9.063 ( -0.000 -24.730 -13.161) 28.014 9.592 ( 0.000 -8.198 -34.610) 35.568 9.881 ( 0.000 14.608 -3.174) 14.949 10.031 ( -0.000 -0.635 9.144) 9.166 10.052 ( -0.000 -2.926 5.144) 5.918 10.178 ( 0.000 4.193 -2.501) 4.883 10.460 ( 0.000 5.272 -16.788) 17.596 10.626 ( 0.000 -1.517 -28.298) 28.339 10.902 ( -0.000 -19.220 -0.537) 19.228 11.311 ( -0.000 11.757 26.726) 29.197 11.443 ( -0.000 -3.877 35.482) 35.693 11.930 ( -0.000 6.205 9.213) 11.108 11.931 ( -0.000 -2.450 13.544) 13.763 12.187 ( -0.000 2.781 19.721) 19.916 12.948 ( -0.000 -24.353 51.819) 57.256 13.133 ( 0.000 15.663 -8.478) 17.811 13.810 ( -0.000 2.957 3.403) 4.508 13.870 ( 0.000 0.582 -2.300) 2.373 13.951 ( -0.000 -8.629 -4.346) 9.662 14.322 ( 0.000 1.343 0.610) 1.475 14.746 ( -0.000 3.143 12.122) 12.523 15.429 ( 0.000 -0.090 -20.358) 20.358 15.846 ( 0.000 9.057 4.186) 9.978 16.128 ( -0.000 0.017 13.355) 13.355 16.376 ( -0.000 -11.578 2.175) 11.780 16.572 ( 0.000 -1.280 -8.406) 8.503 16.685 ( 0.000 4.148 -1.506) 4.413 17.052 ( 0.000 0.474 -20.140) 20.145 17.660 ( -0.000 -1.839 4.530) 4.889 17.825 ( 0.000 3.402 -8.221) 8.897 18.395 ( -0.000 -0.770 11.891) 11.916 18.632 ( 0.000 5.823 -4.145) 7.147 19.086 ( 0.000 2.390 -35.613) 35.693 19.178 ( -0.000 -2.892 -1.283) 3.164 19.207 ( 0.000 -1.562 -1.311) 2.040 19.465 ( 0.000 -0.540 -4.091) 4.127 19.913 ( 0.000 -1.737 -1.500) 2.295 20.221 ( -0.000 0.857 24.126) 24.141 20.444 ( -0.000 0.432 19.917) 19.921 20.802 ( -0.000 1.618 12.885) 12.986 21.009 ( -0.000 -7.299 0.012) 7.299 21.484 ( -0.000 -0.178 8.508) 8.509 21.526 ( -0.000 1.461 8.355) 8.481 22.016 ( 0.000 -1.041 -7.508) 7.580 22.068 ( 0.000 3.691 -0.249) 3.699 22.144 ( 0.000 0.083 -0.691) 0.696 22.267 ( -0.000 1.370 5.994) 6.149 22.623 ( 0.000 -2.829 -4.371) 5.207 22.753 ( -0.000 0.132 5.128) 5.130 23.118 ( -0.000 -0.812 0.235) 0.846 23.130 ( -0.000 -0.343 0.280) 0.443 23.453 ( -0.000 -0.876 1.655) 1.873 23.478 ( 0.000 0.142 -10.724) 10.725 23.517 ( -0.000 1.448 1.849) 2.348 23.762 ( -0.000 1.969 5.732) 6.061 24.666 ( 0.000 0.737 -4.577) 4.636 24.711 ( 0.000 0.515 -6.097) 6.119 25.107 ( 0.000 -0.318 -11.940) 11.944 25.481 ( -0.000 1.344 5.203) 5.374 26.064 ( -0.000 -0.839 2.260) 2.411 26.129 ( 0.000 -2.171 -2.635) 3.414 26.187 ( -0.000 -0.767 6.294) 6.341 26.277 ( -0.000 1.913 6.832) 7.094 26.372 ( 0.000 -1.347 -2.773) 3.083 26.477 ( -0.000 1.017 4.673) 4.782 27.033 ( -0.000 -1.615 1.368) 2.117 27.350 ( -0.000 -0.329 0.064) 0.336 27.386 ( 0.000 1.664 -1.699) 2.378 27.548 ( 0.000 -0.107 -4.171) 4.172 27.680 ( 0.000 1.665 -3.791) 4.140 27.893 ( 0.000 -0.916 -2.977) 3.115 27.902 ( -0.000 -0.546 0.001) 0.546 27.912 ( -0.000 -0.347 1.801) 1.834 29.199 ( -0.000 -0.941 0.872) 1.283 29.241 ( -0.000 0.556 2.393) 2.457 29.426 ( -0.000 1.115 0.961) 1.472 29.508 ( 0.000 -0.580 -0.448) 0.733 31.876 ( 0.000 -0.333 -5.568) 5.578 31.893 ( 0.000 0.947 -0.225) 0.973 31.931 ( -0.000 -0.280 0.359) 0.455 32.118 ( -0.000 0.322 6.554) 6.562 ======================= Grid point 29 (25/84) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.357 ( 0.000 -0.000 -67.743) 67.743 1.436 ( 0.000 -0.000 -69.727) 69.727 2.361 ( 0.000 -0.000 -110.963) 110.963 5.330 ( -0.000 0.000 5.448) 5.448 5.437 ( -0.000 0.000 6.980) 6.980 5.513 ( 0.000 -0.000 -1.109) 1.109 6.265 ( 0.000 -0.000 -2.020) 2.020 6.641 ( -0.000 0.000 2.612) 2.612 6.884 ( 0.000 -0.000 -5.290) 5.290 6.983 ( 0.000 -0.000 -2.638) 2.638 7.202 ( 0.000 -0.000 -14.713) 14.713 7.768 ( 0.000 -0.000 -22.736) 22.736 7.792 ( 0.000 -0.000 -15.862) 15.862 8.365 ( -0.000 0.000 1.405) 1.405 8.431 ( 0.000 -0.000 -9.149) 9.149 8.432 ( -0.000 0.000 14.043) 14.043 8.846 ( 0.000 -0.000 -22.869) 22.869 9.300 ( 0.000 -0.000 -4.555) 4.555 9.524 ( 0.000 -0.000 -17.982) 17.982 9.978 ( -0.000 0.000 6.256) 6.256 10.260 ( -0.000 0.000 4.044) 4.044 10.416 ( -0.000 0.000 1.394) 1.394 10.650 ( -0.000 0.000 3.944) 3.944 11.163 ( -0.000 0.000 1.078) 1.078 11.659 ( 0.000 -0.000 -6.584) 6.584 12.254 ( 0.000 -0.000 -0.673) 0.673 12.272 ( -0.000 0.000 20.752) 20.752 12.745 ( -0.000 0.000 14.765) 14.765 13.153 ( -0.000 0.000 20.748) 20.748 13.185 ( -0.000 0.000 22.279) 22.279 13.626 ( 0.000 -0.000 -9.311) 9.311 13.632 ( 0.000 -0.000 -0.081) 0.081 13.839 ( -0.000 0.000 5.368) 5.368 13.933 ( 0.000 -0.000 -8.600) 8.600 14.571 ( 0.000 -0.000 -20.860) 20.860 14.950 ( -0.000 0.000 0.270) 0.270 15.447 ( -0.000 0.000 26.637) 26.637 15.960 ( 0.000 -0.000 -1.292) 1.292 16.217 ( 0.000 -0.000 -15.328) 15.328 16.257 ( 0.000 -0.000 -4.854) 4.854 16.387 ( -0.000 0.000 3.285) 3.285 16.503 ( -0.000 0.000 5.402) 5.402 16.912 ( -0.000 0.000 6.971) 6.971 17.521 ( 0.000 -0.000 -3.337) 3.337 17.720 ( 0.000 -0.000 -24.877) 24.877 17.756 ( 0.000 -0.000 -0.397) 0.397 18.602 ( -0.000 0.000 4.949) 4.949 18.768 ( -0.000 0.000 5.038) 5.038 19.015 ( 0.000 -0.000 -2.455) 2.455 19.237 ( 0.000 -0.000 -3.401) 3.401 19.443 ( -0.000 0.000 1.615) 1.615 19.719 ( 0.000 -0.000 -6.868) 6.868 20.715 ( -0.000 0.000 2.615) 2.615 21.072 ( -0.000 0.000 13.115) 13.115 21.097 ( 0.000 -0.000 -0.005) 0.005 21.488 ( 0.000 -0.000 -5.085) 5.085 21.559 ( -0.000 0.000 13.052) 13.052 22.007 ( 0.000 -0.000 -0.305) 0.305 22.042 ( -0.000 0.000 10.756) 10.756 22.151 ( -0.000 0.000 0.485) 0.485 22.217 ( -0.000 0.000 13.446) 13.446 22.412 ( -0.000 0.000 2.006) 2.006 22.540 ( 0.000 -0.000 -1.131) 1.131 22.834 ( 0.000 -0.000 -0.682) 0.682 22.971 ( 0.000 -0.000 -11.256) 11.256 23.151 ( -0.000 0.000 0.613) 0.613 23.158 ( 0.000 -0.000 -0.646) 0.646 23.505 ( -0.000 0.000 0.237) 0.237 23.802 ( -0.000 0.000 12.603) 12.603 23.980 ( -0.000 0.000 6.718) 6.718 24.400 ( 0.000 -0.000 -6.827) 6.827 24.449 ( 0.000 -0.000 -4.203) 4.203 24.516 ( 0.000 -0.000 -15.924) 15.924 25.588 ( -0.000 0.000 1.255) 1.255 25.988 ( 0.000 -0.000 -4.007) 4.007 26.161 ( -0.000 0.000 0.412) 0.412 26.278 ( 0.000 -0.000 -1.633) 1.633 26.460 ( -0.000 0.000 4.326) 4.326 26.523 ( -0.000 0.000 4.425) 4.425 26.694 ( -0.000 0.000 4.338) 4.338 27.113 ( -0.000 0.000 1.004) 1.004 27.292 ( 0.000 -0.000 -0.841) 0.841 27.323 ( 0.000 -0.000 -1.728) 1.728 27.353 ( 0.000 -0.000 -3.552) 3.552 27.490 ( 0.000 -0.000 -3.092) 3.092 27.736 ( 0.000 -0.000 -2.347) 2.347 27.908 ( -0.000 0.000 0.091) 0.091 28.036 ( -0.000 0.000 2.123) 2.123 29.247 ( -0.000 0.000 0.821) 0.821 29.322 ( -0.000 0.000 1.023) 1.023 29.485 ( -0.000 0.000 1.368) 1.368 29.500 ( -0.000 0.000 0.126) 0.126 31.723 ( 0.000 -0.000 -2.032) 2.032 31.873 ( 0.000 -0.000 -0.070) 0.070 31.955 ( -0.000 0.000 0.466) 0.466 32.322 ( -0.000 0.000 3.012) 3.012 ======================= Grid point 30 (26/84) ======================= q-point: (-0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.253 ( -24.780 -12.846 -12.999) 30.790 4.253 ( 24.780 12.846 -12.999) 30.790 4.545 ( -23.899 -15.113 -12.404) 30.878 4.545 ( 23.899 15.113 -12.404) 30.878 5.442 ( -2.662 -1.391 -2.346) 3.811 5.442 ( 2.662 1.391 -2.346) 3.811 6.296 ( 5.684 -18.279 -12.400) 22.807 6.296 ( -5.684 18.279 -12.400) 22.807 7.104 ( -1.327 -32.696 -5.511) 33.184 7.104 ( 1.327 32.696 -5.511) 33.184 7.570 ( -20.158 -12.816 -4.885) 24.381 7.570 ( 20.158 12.816 -4.885) 24.381 8.405 ( -6.809 -3.630 9.644) 12.351 8.405 ( 6.809 3.630 9.644) 12.351 8.972 ( 10.393 -19.615 -14.189) 26.346 8.972 ( -10.393 19.615 -14.189) 26.346 9.240 ( 4.335 -11.222 -4.466) 12.833 9.240 ( -4.335 11.222 -4.466) 12.833 9.913 ( -24.421 -1.476 0.768) 24.477 9.913 ( 24.421 1.476 0.768) 24.477 10.249 ( -27.422 -0.059 -3.394) 27.631 10.249 ( 27.422 0.059 -3.394) 27.631 10.519 ( -3.432 -1.971 -5.200) 6.535 10.519 ( 3.432 1.971 -5.200) 6.535 10.918 ( -12.772 -12.659 -7.488) 19.479 10.918 ( 12.772 12.659 -7.488) 19.479 11.661 ( -10.692 -13.056 -1.595) 16.950 11.661 ( 10.692 13.056 -1.595) 16.950 12.933 ( 8.414 -27.269 3.464) 28.747 12.933 ( -8.414 27.269 3.464) 28.747 13.542 ( 2.849 -10.510 0.664) 10.909 13.542 ( -2.849 10.510 0.664) 10.909 14.450 ( -20.200 3.239 16.879) 26.522 14.450 ( 20.200 -3.239 16.879) 26.522 14.717 ( -11.622 -1.715 1.643) 11.862 14.717 ( 11.622 1.715 1.643) 11.862 15.123 ( -10.814 -1.197 -5.204) 12.060 15.123 ( 10.814 1.197 -5.204) 12.060 16.366 ( -2.138 -11.836 7.702) 14.282 16.366 ( 2.138 11.836 7.702) 14.282 17.122 ( -20.296 -0.017 -5.287) 20.973 17.122 ( 20.296 0.017 -5.287) 20.973 17.446 ( -18.223 -0.030 -2.086) 18.342 17.446 ( 18.223 0.030 -2.086) 18.342 17.991 ( -12.506 -1.531 -2.557) 12.857 17.991 ( 12.506 1.531 -2.557) 12.857 18.227 ( -28.349 -7.770 8.701) 30.655 18.227 ( 28.349 7.770 8.701) 30.655 19.341 ( 1.646 -3.104 -3.034) 4.642 19.341 ( -1.646 3.104 -3.034) 4.642 19.770 ( -27.553 -2.091 19.028) 33.550 19.770 ( 27.553 2.091 19.028) 33.550 20.601 ( -17.752 3.465 -10.454) 20.891 20.601 ( 17.752 -3.465 -10.454) 20.891 20.945 ( -17.209 4.327 -8.329) 19.602 20.945 ( 17.209 -4.327 -8.329) 19.602 21.974 ( -4.029 1.446 5.879) 7.272 21.974 ( 4.029 -1.446 5.879) 7.272 22.132 ( 0.162 -2.643 2.283) 3.496 22.132 ( -0.162 2.643 2.283) 3.496 22.483 ( -17.703 0.163 -2.969) 17.951 22.483 ( 17.703 -0.163 -2.969) 17.951 22.620 ( -3.405 -0.108 1.321) 3.654 22.620 ( 3.405 0.108 1.321) 3.654 22.758 ( -8.709 1.955 1.886) 9.123 22.758 ( 8.709 -1.955 1.886) 9.123 22.921 ( -9.287 -0.509 1.521) 9.425 22.921 ( 9.287 0.509 1.521) 9.425 24.227 ( -0.661 -1.904 6.489) 6.794 24.227 ( 0.661 1.904 6.489) 6.794 24.456 ( -0.913 -1.853 -4.771) 5.199 24.456 ( 0.913 1.853 -4.771) 5.199 25.874 ( -14.770 -2.241 -2.684) 15.178 25.874 ( 14.770 2.241 -2.684) 15.178 25.964 ( -5.293 1.257 -0.001) 5.440 25.964 ( 5.293 -1.257 -0.001) 5.440 26.096 ( -3.609 -0.859 -1.537) 4.015 26.096 ( 3.609 0.859 -1.537) 4.015 26.502 ( 2.691 -1.883 4.401) 5.492 26.502 ( -2.691 1.883 4.401) 5.492 27.263 ( -6.180 2.176 1.124) 6.648 27.263 ( 6.180 -2.176 1.124) 6.648 27.440 ( -2.924 -0.310 -2.324) 3.748 27.440 ( 2.924 0.310 -2.324) 3.748 27.545 ( -4.356 -0.325 -2.105) 4.849 27.545 ( 4.356 0.325 -2.105) 4.849 27.939 ( -1.600 -0.681 1.352) 2.202 27.939 ( 1.600 0.681 1.352) 2.202 29.312 ( -1.286 -1.709 1.556) 2.645 29.312 ( 1.286 1.709 1.556) 2.645 29.455 ( -1.697 -0.052 -0.205) 1.710 29.455 ( 1.697 0.052 -0.205) 1.710 31.827 ( 2.947 -1.547 -0.531) 3.370 31.827 ( -2.947 1.547 -0.531) 3.370 32.139 ( -4.998 0.345 1.552) 5.245 32.139 ( 4.998 -0.345 1.552) 5.245 ======================= Grid point 32 (27/84) ======================= q-point: (-0.06 0.19 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.936 ( 42.224 14.939 17.116) 47.948 4.130 ( 33.527 12.691 14.261) 38.581 4.648 ( -10.053 -12.820 9.343) 18.781 4.940 ( -16.481 -20.571 6.873) 27.241 5.376 ( 1.838 4.825 0.702) 5.210 5.436 ( -2.052 1.940 2.784) 3.966 5.936 ( -2.173 14.364 21.621) 26.048 6.323 ( 23.100 26.436 6.939) 35.786 6.686 ( 4.608 -7.810 14.980) 17.511 7.450 ( 4.419 1.768 1.313) 4.937 7.504 ( 6.952 -13.179 -1.726) 15.000 7.870 ( -5.338 -8.398 9.088) 13.476 8.268 ( -13.430 18.325 -0.564) 22.726 8.373 ( -1.831 2.164 -13.295) 13.593 8.868 ( -19.340 -3.596 12.513) 23.314 9.130 ( 0.191 -4.738 6.328) 7.907 9.404 ( -9.029 -23.322 4.097) 25.342 9.586 ( -8.418 -18.974 4.844) 21.316 9.820 ( -9.136 -0.794 -0.330) 9.177 9.899 ( -17.649 9.350 0.943) 19.995 10.131 ( 1.686 -9.089 -1.640) 9.388 10.279 ( 34.982 6.244 9.226) 36.713 10.559 ( -6.272 -1.010 9.790) 11.670 10.603 ( 2.466 -2.416 2.086) 4.033 10.889 ( 11.597 -10.230 5.091) 16.281 11.147 ( -3.132 -5.602 4.540) 7.861 11.346 ( 11.732 16.326 4.099) 20.518 11.837 ( -13.256 -4.670 1.000) 14.090 12.219 ( -14.588 38.829 3.758) 41.649 13.188 ( 0.964 0.464 -13.877) 13.918 13.426 ( -1.560 0.374 1.514) 2.206 13.772 ( 3.627 -10.240 1.446) 10.959 14.397 ( -19.110 1.394 -20.189) 27.834 14.509 ( 20.069 -2.043 -12.254) 23.604 14.685 ( -4.052 -0.304 -0.351) 4.079 14.842 ( 2.703 -7.729 -0.882) 8.236 15.078 ( 12.026 3.232 7.094) 14.332 15.122 ( -6.969 1.158 0.519) 7.084 16.173 ( 1.300 6.746 -7.305) 10.028 16.598 ( -3.498 -9.991 -8.684) 13.692 17.124 ( 19.864 -0.206 4.600) 20.390 17.129 ( -19.541 -0.697 6.485) 20.601 17.446 ( 12.882 -0.033 2.078) 13.049 17.447 ( -12.797 -0.044 1.952) 12.945 17.954 ( 14.467 2.012 2.279) 14.783 18.012 ( -10.184 -0.594 2.236) 10.443 18.077 ( 24.776 6.317 -6.352) 26.346 18.358 ( -28.958 -4.860 -9.747) 30.938 19.276 ( -2.216 2.997 5.507) 6.650 19.389 ( -0.063 -1.589 -0.145) 1.597 19.736 ( 29.748 1.220 -22.522) 37.332 19.811 ( -24.730 -1.662 -15.601) 29.287 20.510 ( -12.786 4.552 5.060) 14.485 20.653 ( 22.163 -1.558 14.478) 26.519 20.864 ( -25.751 2.724 14.164) 29.516 21.035 ( 10.066 -3.406 4.455) 11.523 21.937 ( -5.199 1.505 -5.553) 7.754 22.009 ( 4.443 -1.437 -6.278) 7.824 22.087 ( 1.514 1.756 -2.411) 3.345 22.184 ( 1.746 -2.240 -2.323) 3.669 22.480 ( -16.905 0.121 2.777) 17.132 22.489 ( 15.508 -0.329 3.266) 15.851 22.591 ( -3.909 0.911 -0.681) 4.071 22.660 ( -0.246 -1.536 -3.291) 3.640 22.737 ( -4.561 -0.048 -0.794) 4.630 22.811 ( 9.216 -2.853 -1.518) 9.766 22.899 ( 11.300 1.601 -2.114) 11.607 22.924 ( -7.040 0.108 -1.012) 7.113 24.185 ( 0.429 1.937 -6.510) 6.806 24.257 ( -0.170 -1.031 -6.142) 6.230 24.423 ( 1.398 1.212 5.387) 5.696 24.489 ( -0.494 -1.336 3.751) 4.012 25.834 ( 12.609 1.351 3.198) 13.078 25.926 ( -21.183 -1.509 2.206) 21.351 25.934 ( 1.997 0.260 -0.725) 2.140 26.003 ( 2.869 -2.143 1.110) 3.749 26.072 ( 4.093 1.263 0.758) 4.350 26.097 ( -3.622 0.838 1.807) 4.134 26.470 ( -2.181 1.088 -4.142) 4.806 26.537 ( 3.103 -1.469 -4.618) 5.754 27.224 ( -7.860 1.322 -1.583) 8.126 27.312 ( 5.976 -2.189 -0.844) 6.420 27.430 ( 1.986 0.490 1.346) 2.449 27.448 ( -1.610 -0.375 3.201) 3.603 27.518 ( -0.803 1.267 1.171) 1.903 27.563 ( 1.726 -0.557 3.289) 3.756 27.928 ( 0.583 0.375 -1.477) 1.632 27.952 ( -2.675 -0.585 -1.358) 3.056 29.282 ( 0.902 1.164 -0.976) 1.766 29.344 ( -1.584 -1.289 -2.272) 3.055 29.443 ( -0.820 0.489 -0.622) 1.140 29.465 ( 1.467 -0.358 1.173) 1.912 31.799 ( -2.548 1.086 0.736) 2.866 31.856 ( 3.452 -1.160 0.299) 3.654 32.133 ( -4.931 0.250 -1.582) 5.185 32.145 ( 5.057 -0.242 -1.514) 5.284 ======================= Grid point 33 (28/84) ======================= q-point: (-0.06 0.19 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.989 ( -0.000 -47.238 48.490) 67.696 2.089 ( -0.000 -49.706 47.714) 68.901 3.242 ( -0.000 -81.422 75.266) 110.880 5.281 ( 0.000 4.800 -7.840) 9.193 5.417 ( 0.000 1.203 -0.798) 1.443 5.549 ( -0.000 -2.387 -1.526) 2.833 6.257 ( -0.000 0.656 0.547) 0.854 6.516 ( 0.000 11.522 1.818) 11.664 6.860 ( 0.000 8.185 3.793) 9.021 6.965 ( -0.000 -5.501 10.015) 11.426 7.212 ( -0.000 -0.366 16.870) 16.874 7.711 ( -0.000 6.992 15.165) 16.700 7.751 ( -0.000 0.655 14.106) 14.121 8.228 ( 0.000 13.057 -0.902) 13.088 8.441 ( -0.000 -1.245 7.677) 7.778 8.526 ( 0.000 -1.046 -15.286) 15.321 8.820 ( -0.000 2.835 23.188) 23.360 9.401 ( -0.000 -8.812 3.710) 9.561 9.535 ( -0.000 -0.811 16.192) 16.213 9.943 ( 0.000 16.455 -11.575) 20.118 10.262 ( 0.000 2.913 -1.802) 3.426 10.340 ( 0.000 9.213 5.446) 10.703 10.522 ( -0.000 -14.014 -4.135) 14.612 10.931 ( 0.000 21.117 -0.982) 21.140 11.614 ( -0.000 3.264 7.021) 7.742 12.407 ( 0.000 -12.117 -20.451) 23.771 12.563 ( -0.000 -20.526 -6.632) 21.571 12.702 ( 0.000 2.577 -14.605) 14.830 13.033 ( 0.000 16.966 -3.517) 17.327 13.229 ( 0.000 -1.643 -23.760) 23.816 13.446 ( 0.000 5.288 -1.196) 5.421 13.616 ( 0.000 2.717 -1.164) 2.956 13.856 ( 0.000 -1.905 -4.675) 5.048 14.031 ( -0.000 -6.262 7.688) 9.916 14.548 ( -0.000 2.251 21.377) 21.495 14.929 ( 0.000 0.542 -0.471) 0.718 15.493 ( 0.000 -1.998 -28.443) 28.513 16.032 ( -0.000 -5.452 2.578) 6.031 16.218 ( -0.000 -0.043 15.595) 15.595 16.246 ( -0.000 0.194 5.154) 5.158 16.385 ( 0.000 -0.367 -4.589) 4.604 16.515 ( 0.000 -1.189 -6.037) 6.153 16.824 ( 0.000 7.978 -4.920) 9.373 17.543 ( -0.000 -2.228 3.443) 4.101 17.727 ( -0.000 -0.795 23.822) 23.835 17.759 ( -0.000 -0.322 1.789) 1.818 18.625 ( 0.000 -2.005 -3.564) 4.089 18.778 ( 0.000 -0.929 -5.189) 5.272 19.020 ( -0.000 -0.407 2.028) 2.069 19.229 ( -0.000 1.141 4.220) 4.372 19.370 ( 0.000 6.767 -1.853) 7.016 19.752 ( -0.000 -3.031 5.287) 6.094 20.752 ( 0.000 -3.159 -2.491) 4.023 20.997 ( 0.000 9.536 0.366) 9.543 21.083 ( 0.000 -1.083 -13.437) 13.480 21.487 ( -0.000 0.067 5.124) 5.124 21.506 ( 0.000 4.564 -12.361) 13.177 22.054 ( 0.000 -0.978 -10.288) 10.334 22.064 ( -0.000 -4.817 -0.082) 4.818 22.162 ( -0.000 -1.064 -0.601) 1.222 22.224 ( 0.000 -0.748 -14.160) 14.179 22.433 ( 0.000 -1.940 -2.135) 2.884 22.523 ( 0.000 1.288 0.826) 1.530 22.835 ( -0.000 -0.291 0.575) 0.644 22.961 ( -0.000 0.162 11.979) 11.981 23.141 ( 0.000 0.611 0.146) 0.628 23.159 ( 0.000 0.082 0.043) 0.092 23.499 ( 0.000 0.528 -0.474) 0.710 23.809 ( 0.000 -0.586 -12.049) 12.063 24.014 ( 0.000 -3.127 -6.887) 7.564 24.415 ( -0.000 -1.457 6.967) 7.118 24.455 ( -0.000 -0.632 4.142) 4.190 24.521 ( -0.000 -0.394 15.629) 15.634 25.606 ( 0.000 -1.623 -1.319) 2.091 25.959 ( -0.000 3.055 3.376) 4.553 26.141 ( 0.000 1.907 0.110) 1.910 26.273 ( -0.000 0.497 1.503) 1.584 26.449 ( 0.000 1.076 -4.295) 4.428 26.550 ( 0.000 -2.413 -4.596) 5.190 26.682 ( 0.000 1.220 -3.933) 4.118 27.076 ( 0.000 3.423 -0.521) 3.463 27.322 ( -0.000 0.011 1.256) 1.256 27.330 ( -0.000 -3.468 0.699) 3.537 27.357 ( -0.000 -0.307 3.598) 3.611 27.507 ( -0.000 -1.631 3.171) 3.566 27.755 ( -0.000 -1.060 1.318) 1.691 27.899 ( 0.000 0.902 -0.041) 0.903 28.016 ( 0.000 1.909 -2.051) 2.802 29.245 ( 0.000 0.062 -0.959) 0.961 29.340 ( 0.000 -1.184 -1.663) 2.041 29.443 ( 0.000 2.453 -0.090) 2.455 29.530 ( -0.000 -1.320 -0.747) 1.517 31.719 ( -0.000 0.370 2.035) 2.068 31.892 ( -0.000 -1.727 -0.055) 1.728 31.954 ( 0.000 0.087 -0.488) 0.496 32.327 ( 0.000 -0.363 -3.082) 3.103 ======================= Grid point 34 (29/84) ======================= q-point: (-0.06 0.44 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.139 ( -0.000 -17.747 15.222) 23.381 4.264 ( -0.000 -14.974 14.467) 20.821 5.089 ( -0.000 -4.687 11.846) 12.740 5.497 ( -0.000 -1.376 -0.731) 1.558 5.559 ( -0.000 -2.796 3.903) 4.801 6.000 ( 0.000 4.546 -10.450) 11.396 6.203 ( -0.000 -32.091 7.040) 32.854 6.792 ( 0.000 9.458 -6.382) 11.410 7.040 ( -0.000 1.561 7.607) 7.765 7.590 ( 0.000 1.554 -1.745) 2.337 7.775 ( 0.000 22.587 9.581) 24.535 8.109 ( -0.000 -11.406 3.873) 12.046 8.186 ( 0.000 2.326 -0.018) 2.326 8.596 ( -0.000 7.329 6.586) 9.854 8.717 ( -0.000 2.040 34.414) 34.474 8.897 ( -0.000 -11.709 57.697) 58.873 9.456 ( -0.000 1.182 42.010) 42.027 9.780 ( -0.000 19.437 14.087) 24.005 9.921 ( 0.000 4.095 -14.949) 15.499 10.206 ( -0.000 -0.813 14.599) 14.622 10.414 ( -0.000 -17.009 -7.935) 18.769 10.468 ( -0.000 6.139 20.715) 21.606 10.663 ( -0.000 -6.489 -2.195) 6.850 10.766 ( -0.000 -14.402 17.472) 22.643 11.391 ( 0.000 1.323 -30.125) 30.154 11.476 ( 0.000 -2.851 -31.513) 31.642 11.925 ( 0.000 -2.355 -12.211) 12.436 12.001 ( 0.000 0.316 -15.488) 15.491 12.180 ( 0.000 3.627 -17.907) 18.271 12.424 ( 0.000 25.993 -45.264) 52.197 13.210 ( 0.000 24.387 15.987) 29.161 13.624 ( -0.000 -5.630 13.721) 14.831 13.879 ( -0.000 -0.178 1.966) 1.974 14.053 ( 0.000 -5.948 -11.165) 12.651 14.395 ( 0.000 -5.804 -9.524) 11.153 14.839 ( 0.000 -6.477 -14.483) 15.865 15.425 ( -0.000 0.361 21.090) 21.093 16.078 ( -0.000 -9.850 -5.713) 11.387 16.129 ( 0.000 -0.034 -13.676) 13.676 16.140 ( 0.000 7.851 -2.608) 8.273 16.543 ( -0.000 1.411 8.103) 8.225 16.750 ( -0.000 -2.472 2.125) 3.259 17.068 ( -0.000 -1.125 20.309) 20.340 17.628 ( 0.000 1.415 -5.076) 5.270 17.897 ( -0.000 -3.586 8.079) 8.839 18.376 ( 0.000 1.182 -13.021) 13.075 18.766 ( -0.000 -6.709 5.894) 8.931 19.042 ( 0.000 9.116 -5.336) 10.563 19.145 ( -0.000 -3.196 35.682) 35.825 19.209 ( -0.000 -0.628 9.115) 9.136 19.456 ( -0.000 0.324 4.149) 4.161 19.867 ( 0.000 2.661 -0.171) 2.666 20.244 ( 0.000 -1.245 -22.731) 22.765 20.425 ( 0.000 2.198 -23.926) 24.027 20.777 ( 0.000 9.636 -2.244) 9.894 20.908 ( 0.000 -3.108 -2.074) 3.737 21.467 ( 0.000 1.267 -7.367) 7.475 21.570 ( 0.000 -2.535 -10.692) 10.988 21.990 ( -0.000 1.471 7.502) 7.644 22.133 ( 0.000 0.300 -1.017) 1.060 22.162 ( -0.000 -4.188 -0.671) 4.242 22.301 ( 0.000 -1.930 -6.343) 6.630 22.562 ( -0.000 2.865 3.920) 4.855 22.775 ( 0.000 -2.259 -4.855) 5.355 23.105 ( 0.000 0.298 0.026) 0.299 23.123 ( 0.000 0.274 -0.085) 0.287 23.442 ( 0.000 0.327 -0.957) 1.011 23.482 ( -0.000 -0.257 9.742) 9.745 23.537 ( 0.000 -0.480 -2.580) 2.624 23.807 ( 0.000 -2.249 -6.787) 7.150 24.676 ( -0.000 -0.149 4.486) 4.489 24.734 ( -0.000 -1.679 4.877) 5.158 25.102 ( -0.000 0.095 11.589) 11.589 25.503 ( 0.000 -0.569 -5.355) 5.385 26.024 ( -0.000 2.973 2.073) 3.625 26.099 ( 0.000 0.788 0.264) 0.831 26.169 ( 0.000 0.994 -5.877) 5.960 26.315 ( 0.000 -1.801 -6.982) 7.210 26.343 ( -0.000 1.412 2.484) 2.857 26.497 ( 0.000 -0.847 -3.668) 3.764 26.998 ( 0.000 1.621 -0.064) 1.623 27.340 ( 0.000 0.735 0.214) 0.766 27.427 ( -0.000 -2.368 0.082) 2.370 27.558 ( -0.000 -1.200 3.475) 3.676 27.707 ( -0.000 -0.776 3.147) 3.241 27.866 ( 0.000 1.711 1.125) 2.048 27.888 ( 0.000 0.780 0.502) 0.928 27.909 ( -0.000 -0.129 0.988) 0.996 29.183 ( 0.000 0.541 -1.020) 1.155 29.251 ( 0.000 -0.405 -2.348) 2.382 29.429 ( 0.000 1.148 0.524) 1.262 29.514 ( 0.000 -1.447 -1.011) 1.765 31.868 ( -0.000 0.461 5.593) 5.612 31.916 ( -0.000 -1.168 -0.443) 1.250 31.924 ( 0.000 0.242 -0.482) 0.540 32.126 ( 0.000 -0.446 -6.566) 6.581 ======================= Grid point 35 (30/84) ======================= q-point: (-0.06 0.44 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.499 ( 11.876 -0.000 7.888) 14.257 5.047 ( 25.014 -0.000 32.065) 40.667 5.089 ( -3.159 0.000 -5.152) 6.043 5.217 ( -2.401 0.000 8.087) 8.436 5.279 ( 2.665 -0.000 0.693) 2.753 5.585 ( 1.810 -0.000 12.347) 12.479 6.287 ( 23.041 -0.000 5.088) 23.596 6.664 ( -6.998 0.000 5.616) 8.973 6.718 ( -14.688 0.000 -10.780) 18.220 7.115 ( -11.025 0.000 -37.063) 38.668 7.808 ( -13.462 0.000 -1.075) 13.505 7.939 ( 16.655 -0.000 2.927) 16.910 8.815 ( -3.269 0.000 19.582) 19.853 9.193 ( -12.716 0.000 0.705) 12.736 9.276 ( -1.045 0.000 34.214) 34.230 9.377 ( -1.410 0.000 44.224) 44.246 9.686 ( -9.109 0.000 -1.681) 9.263 9.941 ( 21.390 -0.000 13.533) 25.312 9.983 ( -1.780 0.000 12.045) 12.176 10.262 ( -2.271 0.000 4.565) 5.099 10.370 ( -7.153 0.000 -8.858) 11.385 10.497 ( 20.052 -0.000 5.518) 20.797 10.726 ( -0.024 0.000 14.736) 14.736 10.828 ( 3.801 -0.000 -3.777) 5.358 11.273 ( 3.229 -0.000 0.324) 3.246 11.564 ( 5.602 -0.000 -25.514) 26.122 11.659 ( -8.051 0.000 -7.573) 11.053 11.742 ( 11.847 -0.000 -2.246) 12.058 12.037 ( -17.016 0.000 22.675) 28.350 12.487 ( -11.733 0.000 18.082) 21.555 13.024 ( -23.224 0.000 -36.375) 43.157 13.627 ( 1.738 -0.000 7.549) 7.747 13.955 ( 2.345 -0.000 0.500) 2.398 14.190 ( 8.960 -0.000 -4.470) 10.013 14.433 ( 14.768 -0.000 -13.744) 20.175 14.605 ( -7.783 0.000 -18.642) 20.201 15.158 ( -11.918 0.000 8.461) 14.616 15.560 ( 15.137 -0.000 13.240) 20.110 15.734 ( 0.468 -0.000 -7.222) 7.237 16.341 ( -0.176 -0.000 -5.501) 5.504 17.210 ( 12.204 -0.000 -11.606) 16.842 17.223 ( -15.606 0.000 -15.529) 22.016 17.359 ( 7.503 -0.000 2.054) 7.779 17.406 ( -6.943 0.000 4.536) 8.293 17.798 ( -0.010 0.000 1.427) 1.427 18.032 ( -2.044 0.000 0.516) 2.108 18.080 ( 6.275 -0.000 3.136) 7.015 18.208 ( -3.890 0.000 2.947) 4.880 19.013 ( 9.627 -0.000 -9.016) 13.190 19.114 ( -9.212 0.000 -7.705) 12.010 19.564 ( -0.863 0.000 5.547) 5.614 19.642 ( 1.270 -0.000 0.133) 1.277 20.465 ( -2.645 0.000 -0.370) 2.671 20.878 ( 1.716 -0.000 0.384) 1.759 21.124 ( 4.001 -0.000 -5.054) 6.446 21.312 ( -8.254 0.000 -0.320) 8.260 21.836 ( 16.275 -0.000 1.687) 16.362 21.924 ( -18.823 0.000 8.157) 20.515 22.054 ( 1.284 -0.000 5.443) 5.593 22.126 ( -1.330 0.000 0.115) 1.335 22.414 ( -14.054 0.000 -7.340) 15.856 22.457 ( 16.735 -0.000 -7.104) 18.181 22.632 ( -12.130 0.000 3.677) 12.675 22.638 ( 9.501 -0.000 1.854) 9.680 22.742 ( 5.490 -0.000 0.247) 5.496 22.743 ( 5.440 -0.000 -1.240) 5.580 22.848 ( -8.467 0.000 -2.756) 8.904 22.855 ( 4.760 -0.000 0.232) 4.766 23.911 ( 1.067 -0.000 -4.487) 4.613 24.010 ( -1.364 0.000 -4.678) 4.873 24.629 ( 1.203 -0.000 4.062) 4.236 24.650 ( -0.297 0.000 3.033) 3.048 25.873 ( -0.045 -0.000 -0.678) 0.680 25.979 ( 5.824 -0.000 2.229) 6.236 26.001 ( -1.978 0.000 -0.348) 2.009 26.037 ( -7.812 0.000 0.904) 7.864 26.081 ( 0.925 -0.000 -1.005) 1.366 26.194 ( 3.361 -0.000 0.776) 3.449 26.252 ( -1.458 0.000 -3.652) 3.932 26.293 ( -0.035 -0.000 -4.224) 4.224 27.135 ( -3.973 0.000 -1.137) 4.132 27.284 ( 3.462 -0.000 -1.415) 3.741 27.491 ( -0.286 0.000 1.844) 1.866 27.528 ( 1.532 -0.000 0.406) 1.585 27.663 ( -0.468 0.000 4.662) 4.685 27.691 ( -0.507 0.000 -0.080) 0.514 27.898 ( -1.360 0.000 -1.167) 1.792 27.944 ( 0.485 -0.000 3.195) 3.232 29.225 ( 0.556 -0.000 -1.009) 1.152 29.242 ( -0.785 0.000 -2.324) 2.453 29.386 ( -0.326 0.000 -1.006) 1.058 29.518 ( 0.708 -0.000 0.643) 0.957 31.848 ( -0.636 0.000 1.813) 1.921 31.893 ( 1.219 -0.000 0.943) 1.542 32.030 ( -2.358 0.000 -2.601) 3.511 32.056 ( 2.369 -0.000 -2.245) 3.264 ======================= Grid point 36 (31/84) ======================= q-point: (-0.08 -0.42 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.439 ( -9.647 0.000 -7.457) 12.193 5.050 ( 0.748 -0.000 0.183) 0.770 5.278 ( -0.259 -0.000 -3.321) 3.331 5.341 ( 0.214 -0.000 -16.646) 16.648 5.521 ( 16.324 -0.000 4.587) 16.956 5.865 ( -9.363 0.000 -26.845) 28.431 5.981 ( -19.648 0.000 -14.548) 24.448 6.671 ( 15.356 -0.000 28.394) 32.280 6.744 ( 1.515 -0.000 4.954) 5.181 7.017 ( 27.077 -0.000 4.240) 27.407 7.657 ( -13.111 0.000 12.741) 18.282 7.854 ( -12.465 0.000 -14.398) 19.044 8.849 ( 3.838 -0.000 9.373) 10.128 9.172 ( -0.836 0.000 13.926) 13.951 9.567 ( -11.449 0.000 4.014) 12.132 9.832 ( 1.282 -0.000 7.661) 7.768 9.888 ( -12.699 0.000 -16.745) 21.016 10.004 ( -18.774 0.000 11.625) 22.081 10.358 ( 8.593 -0.000 4.667) 9.778 10.390 ( 2.783 -0.000 11.388) 11.723 10.415 ( -4.209 -0.000 -42.557) 42.765 10.483 ( 3.712 -0.000 -25.438) 25.707 10.697 ( 9.248 -0.000 24.212) 25.918 10.714 ( -1.418 -0.000 -14.446) 14.516 11.032 ( -2.632 -0.000 -20.238) 20.409 11.415 ( 4.523 -0.000 21.438) 21.910 11.504 ( 13.815 -0.000 -2.806) 14.097 11.693 ( -9.930 0.000 -12.737) 16.151 12.141 ( -18.596 0.000 19.851) 27.201 12.508 ( -9.830 0.000 29.619) 31.208 12.798 ( 1.394 0.000 11.492) 11.576 13.843 ( -0.698 -0.000 -5.375) 5.420 13.865 ( 1.075 -0.000 -5.760) 5.859 14.139 ( -1.923 0.000 -2.314) 3.008 14.379 ( 4.653 -0.000 8.156) 9.389 14.389 ( 11.949 -0.000 -16.682) 20.520 15.320 ( 7.309 -0.000 12.043) 14.087 15.635 ( -4.486 0.000 -14.558) 15.234 15.674 ( 1.597 -0.000 -0.976) 1.872 16.319 ( 3.658 -0.000 0.612) 3.709 17.082 ( -3.356 0.000 -8.498) 9.136 17.136 ( 2.397 -0.000 10.680) 10.946 17.393 ( -0.086 -0.000 -6.081) 6.082 17.461 ( 0.575 0.000 6.836) 6.860 17.925 ( 14.575 -0.000 -4.316) 15.200 18.092 ( -1.904 0.000 -6.449) 6.724 18.152 ( 13.356 -0.000 4.525) 14.102 18.221 ( 0.365 0.000 5.403) 5.415 19.014 ( 8.233 -0.000 -8.701) 11.979 19.122 ( 7.754 -0.000 8.430) 11.454 19.621 ( 0.026 0.000 0.635) 0.636 19.647 ( 0.373 -0.000 -1.444) 1.492 20.463 ( -0.114 0.000 2.741) 2.743 20.836 ( -8.207 0.000 -5.718) 10.002 21.017 ( -2.299 0.000 -0.356) 2.326 21.168 ( -14.769 0.000 8.863) 17.225 21.579 ( -15.876 0.000 -6.698) 17.231 21.713 ( -17.710 0.000 8.922) 19.830 22.105 ( -2.476 0.000 -3.373) 4.184 22.107 ( 0.082 -0.000 -1.202) 1.205 22.435 ( -9.602 0.000 5.372) 11.002 22.494 ( -7.311 0.000 -5.226) 8.987 22.668 ( -0.402 0.000 1.444) 1.499 22.683 ( 16.780 -0.000 5.559) 17.677 22.797 ( 4.747 -0.000 -0.788) 4.812 22.800 ( 19.196 -0.000 -9.241) 21.304 22.961 ( 7.661 -0.000 -1.495) 7.805 22.962 ( 8.015 -0.000 1.996) 8.259 23.848 ( -1.789 0.000 -1.470) 2.315 23.930 ( -3.218 0.000 1.579) 3.584 24.689 ( 0.546 -0.000 0.184) 0.576 24.693 ( 2.045 -0.000 -1.268) 2.406 25.706 ( -13.111 0.000 2.550) 13.356 25.759 ( -14.790 0.000 -3.889) 15.292 26.017 ( -0.074 0.000 0.978) 0.980 26.055 ( 1.479 -0.000 3.765) 4.045 26.109 ( 1.068 -0.000 0.943) 1.425 26.182 ( 0.560 -0.000 -3.164) 3.213 26.320 ( 6.651 -0.000 -1.137) 6.748 26.338 ( 3.957 -0.000 1.356) 4.183 27.084 ( -2.836 0.000 2.400) 3.715 27.321 ( 4.001 -0.000 -2.214) 4.573 27.408 ( -4.285 0.000 0.216) 4.290 27.637 ( 2.201 -0.000 -2.730) 3.507 27.711 ( -0.442 0.000 0.331) 0.552 27.716 ( 4.960 -0.000 2.014) 5.354 27.876 ( -0.715 0.000 1.410) 1.581 27.979 ( -0.385 0.000 -0.568) 0.687 29.209 ( -0.673 0.000 0.791) 1.039 29.215 ( 0.173 -0.000 -0.586) 0.611 29.378 ( 0.252 -0.000 0.322) 0.409 29.529 ( 0.365 -0.000 -0.694) 0.784 31.877 ( 0.507 -0.000 0.179) 0.537 31.912 ( 0.603 -0.000 -0.882) 1.068 31.995 ( -0.369 0.000 2.734) 2.759 32.024 ( -0.539 0.000 -2.610) 2.665 ======================= Grid point 37 (32/84) ======================= q-point: (-0.08 0.58 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 102 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.407 ( 9.596 0.000 -0.000) 9.596 4.464 ( 7.801 -0.000 -0.000) 7.801 5.249 ( -3.123 0.000 -0.000) 3.123 5.501 ( 0.752 -0.000 0.000) 0.752 5.635 ( -0.435 0.000 -0.000) 0.435 5.780 ( -3.649 -0.000 0.000) 3.649 6.319 ( 1.590 -0.000 -0.000) 1.590 6.732 ( 8.499 -0.000 -0.000) 8.499 7.191 ( -6.597 0.000 0.000) 6.597 7.241 ( -12.322 0.000 -0.000) 12.322 7.626 ( -20.845 0.000 -0.000) 20.845 7.994 ( -0.115 0.000 -0.000) 0.115 8.650 ( 25.228 -0.000 -0.000) 25.228 8.653 ( 5.977 0.000 -0.000) 5.977 9.465 ( 7.424 -0.000 -0.000) 7.424 9.466 ( 1.631 0.000 0.000) 1.631 9.867 ( 6.420 0.000 -0.000) 6.420 10.008 ( -4.646 -0.000 -0.000) 4.646 10.125 ( -7.280 0.000 0.000) 7.280 10.286 ( -1.019 0.000 -0.000) 1.019 10.472 ( 3.165 0.000 -0.000) 3.165 10.591 ( 0.952 -0.000 -0.000) 0.952 10.756 ( 1.336 0.000 0.000) 1.336 10.803 ( 3.814 0.000 -0.000) 3.814 11.002 ( 0.770 0.000 -0.000) 0.770 11.016 ( 0.367 0.000 0.000) 0.367 11.760 ( -0.610 0.000 -0.000) 0.610 11.849 ( 9.458 -0.000 0.000) 9.458 11.863 ( -1.687 0.000 -0.000) 1.687 12.066 ( 10.785 0.000 0.000) 10.785 13.422 ( 1.154 -0.000 -0.000) 1.154 13.860 ( -0.777 0.000 -0.000) 0.777 13.936 ( -1.745 0.000 -0.000) 1.745 13.998 ( 4.684 -0.000 -0.000) 4.684 14.167 ( -2.207 0.000 0.000) 2.207 14.577 ( -6.909 0.000 -0.000) 6.909 15.607 ( -13.649 0.000 0.000) 13.649 15.635 ( -11.642 -0.000 -0.000) 11.642 15.997 ( -2.690 -0.000 -0.000) 2.690 16.069 ( -4.013 0.000 -0.000) 4.013 16.866 ( 15.563 0.000 -0.000) 15.563 16.976 ( 16.010 -0.000 -0.000) 16.010 17.362 ( 0.603 0.000 -0.000) 0.603 17.489 ( -1.342 0.000 0.000) 1.342 18.074 ( 1.539 -0.000 0.000) 1.539 18.162 ( 0.505 0.000 -0.000) 0.505 18.535 ( -28.493 -0.000 0.000) 28.493 18.587 ( -29.927 0.000 -0.000) 29.927 19.244 ( -10.585 -0.000 0.000) 10.585 19.262 ( -8.726 0.000 -0.000) 8.726 19.657 ( -1.104 0.000 -0.000) 1.104 19.694 ( -2.747 0.000 -0.000) 2.747 20.442 ( 25.922 0.000 0.000) 25.922 20.483 ( 28.305 0.000 -0.000) 28.305 20.798 ( 6.250 0.000 -0.000) 6.250 20.875 ( -0.957 0.000 -0.000) 0.957 21.429 ( 4.448 -0.000 -0.000) 4.448 21.482 ( 3.815 0.000 -0.000) 3.815 22.090 ( -1.700 -0.000 -0.000) 1.700 22.112 ( 0.490 0.000 0.000) 0.490 22.271 ( 8.754 0.000 0.000) 8.754 22.286 ( 8.607 -0.000 -0.000) 8.607 22.661 ( 1.159 0.000 0.000) 1.159 22.682 ( 0.185 -0.000 -0.000) 0.185 23.042 ( -7.406 0.000 -0.000) 7.406 23.072 ( -5.237 0.000 -0.000) 5.237 23.197 ( -17.940 0.000 0.000) 17.940 23.222 ( -17.510 0.000 -0.000) 17.510 23.766 ( 6.144 -0.000 0.000) 6.144 23.838 ( 7.755 0.000 -0.000) 7.755 24.704 ( -1.587 0.000 -0.000) 1.587 24.758 ( -2.284 -0.000 -0.000) 2.284 25.389 ( 11.990 0.000 -0.000) 11.990 25.536 ( 11.034 0.000 -0.000) 11.034 26.038 ( 0.418 0.000 -0.000) 0.418 26.083 ( -1.759 0.000 -0.000) 1.759 26.121 ( -0.656 0.000 0.000) 0.656 26.208 ( -1.159 0.000 -0.000) 1.159 26.379 ( -0.587 -0.000 -0.000) 0.587 26.412 ( -3.596 0.000 -0.000) 3.596 27.026 ( 2.745 0.000 -0.000) 2.745 27.358 ( 1.663 0.000 -0.000) 1.663 27.389 ( -3.699 0.000 -0.000) 3.699 27.606 ( 1.224 0.000 -0.000) 1.224 27.740 ( -0.407 0.000 -0.000) 0.407 27.823 ( -4.649 0.000 -0.000) 4.649 27.898 ( 0.755 0.000 -0.000) 0.755 27.937 ( 0.438 -0.000 -0.000) 0.438 29.181 ( 0.630 0.000 -0.000) 0.630 29.222 ( -0.201 0.000 -0.000) 0.201 29.437 ( 0.172 -0.000 -0.000) 0.172 29.494 ( -0.697 0.000 -0.000) 0.697 31.905 ( -0.564 -0.000 -0.000) 0.564 31.911 ( -0.739 0.000 -0.000) 0.739 31.998 ( 0.601 -0.000 -0.000) 0.601 31.999 ( 0.494 0.000 0.000) 0.494 ======================= Grid point 39 (33/84) ======================= q-point: (-0.08 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.237 ( 20.525 25.938 -41.823) 53.322 3.262 ( 18.913 25.010 -47.793) 57.161 5.015 ( 14.988 26.137 -29.383) 42.085 5.169 ( 7.366 6.138 -6.539) 11.606 5.423 ( 5.249 7.906 -0.717) 9.517 5.538 ( -0.759 0.363 -1.633) 1.837 5.956 ( -25.152 0.952 -4.368) 25.546 6.802 ( 7.216 -9.770 -21.716) 24.882 6.910 ( -1.439 2.671 -7.449) 8.043 7.092 ( -0.135 -3.661 -14.121) 14.589 7.783 ( 7.629 -1.506 -8.198) 11.299 7.948 ( -4.481 1.114 -6.933) 8.330 8.104 ( -1.716 6.252 18.021) 19.152 8.326 ( 3.146 -6.970 -26.624) 27.700 8.523 ( 24.167 -5.971 -24.805) 35.142 8.970 ( 28.257 -11.174 -2.271) 30.470 9.387 ( -0.569 -15.804 -7.816) 17.641 9.523 ( -1.249 -0.773 -9.269) 9.384 9.837 ( 0.159 -0.197 -21.293) 21.294 10.025 ( 2.683 -1.091 -21.209) 21.406 10.146 ( -1.110 4.400 1.097) 4.669 10.311 ( -4.665 5.428 9.694) 12.049 10.441 ( 1.801 0.567 -2.126) 2.843 10.860 ( -4.088 -19.324 0.403) 19.756 11.447 ( -17.928 5.203 10.427) 21.382 11.998 ( -20.145 0.235 15.645) 25.508 12.034 ( 1.130 2.876 1.673) 3.514 12.388 ( 1.035 5.147 23.022) 23.613 12.487 ( -16.247 2.257 19.571) 25.536 12.965 ( -3.036 11.453 1.129) 11.902 13.504 ( -0.944 -7.787 5.437) 9.544 13.666 ( 5.700 -19.264 -4.722) 20.637 13.838 ( 2.453 -0.800 0.102) 2.582 14.142 ( 1.595 5.276 1.465) 5.703 14.635 ( -4.524 0.491 30.708) 31.043 14.866 ( -3.880 -0.367 -7.147) 8.141 15.048 ( 1.544 3.233 0.629) 3.638 15.848 ( -15.842 4.588 -0.335) 16.497 16.085 ( -7.690 4.783 9.489) 13.117 16.549 ( 1.318 -9.598 8.946) 13.187 16.644 ( 21.509 -0.586 -8.520) 23.143 16.720 ( 9.838 0.269 -18.921) 21.328 16.785 ( 9.602 1.944 0.299) 9.801 17.664 ( 0.423 -0.153 -2.081) 2.129 17.722 ( -1.516 2.184 -3.387) 4.306 18.046 ( -12.355 1.894 -9.909) 15.950 18.514 ( -9.736 0.070 6.760) 11.853 18.848 ( 7.274 2.943 -5.926) 9.833 19.142 ( -14.764 -4.902 6.417) 16.828 19.265 ( 15.634 2.612 -10.251) 18.877 19.367 ( 1.342 -1.297 -5.402) 5.715 19.965 ( 13.218 -0.802 -7.880) 15.410 20.327 ( -23.591 -0.110 25.537) 34.766 20.703 ( -2.495 4.431 4.363) 6.700 20.990 ( -1.300 -8.049 0.018) 8.153 21.356 ( 10.817 -3.080 13.560) 17.618 21.751 ( 11.395 -0.803 5.501) 12.679 21.790 ( 3.455 1.743 11.487) 12.121 22.005 ( 1.917 -0.572 2.608) 3.287 22.082 ( 3.120 3.504 2.195) 5.180 22.169 ( 2.586 0.607 0.635) 2.731 22.447 ( 6.771 1.900 3.486) 7.850 22.577 ( 2.287 -2.486 -2.178) 4.019 22.767 ( -15.535 0.346 -6.753) 16.943 22.844 ( -14.456 0.566 -4.755) 15.229 23.062 ( -7.246 -0.278 -0.288) 7.257 23.102 ( -4.270 -1.290 0.427) 4.481 23.300 ( -14.783 2.078 1.738) 15.029 23.837 ( 11.794 0.447 7.365) 13.912 24.001 ( 7.501 0.983 5.701) 9.472 24.529 ( -1.673 0.552 -6.488) 6.723 24.568 ( 0.584 1.357 -6.300) 6.471 25.054 ( 19.092 -0.263 -12.475) 22.808 25.631 ( 6.460 1.601 2.300) 7.042 26.033 ( -0.397 -3.285 -3.681) 4.950 26.108 ( -1.887 -0.629 1.308) 2.381 26.291 ( -2.278 -0.766 -0.726) 2.511 26.341 ( 0.721 -0.418 6.163) 6.219 26.412 ( -1.329 1.087 6.765) 6.980 26.533 ( -5.200 0.083 4.189) 6.679 27.092 ( 3.121 -2.454 1.219) 4.153 27.355 ( 0.946 -0.322 -0.851) 1.313 27.359 ( -0.215 1.497 0.871) 1.745 27.467 ( 1.591 0.358 -4.894) 5.158 27.588 ( -0.221 1.548 -4.810) 5.058 27.796 ( -2.311 -0.140 -4.266) 4.854 27.883 ( -0.716 -0.456 0.695) 1.097 27.964 ( -0.190 -1.367 2.496) 2.852 29.226 ( 0.487 -0.166 1.308) 1.405 29.299 ( 0.278 0.183 2.775) 2.795 29.438 ( -0.130 -0.538 0.279) 0.620 29.501 ( -0.925 0.680 0.506) 1.255 31.790 ( 1.014 -0.436 -3.408) 3.582 31.882 ( -0.898 1.332 -0.151) 1.613 31.965 ( 2.224 -0.194 0.779) 2.364 32.220 ( -1.999 0.336 4.969) 5.367 ======================= Grid point 40 (34/84) ======================= q-point: (-0.08 -0.17 -0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.757 ( -29.615 -17.556 -37.594) 50.976 3.807 ( -33.424 -19.832 -27.883) 47.832 5.065 ( 3.349 7.606 1.459) 8.437 5.338 ( -2.822 -7.744 -2.420) 8.590 5.371 ( 25.336 2.026 -9.722) 27.213 5.531 ( 3.030 -1.895 -0.879) 3.680 5.810 ( -28.274 -23.926 -14.208) 39.670 6.730 ( 11.021 -4.407 -13.519) 17.990 7.021 ( -3.926 -0.419 -23.830) 24.155 7.221 ( -12.545 15.558 0.195) 19.987 7.642 ( 2.665 5.191 -16.483) 17.485 8.003 ( 3.608 -5.998 13.354) 15.077 8.245 ( -8.166 7.803 -26.338) 28.658 8.381 ( -3.575 -17.920 1.121) 18.308 9.080 ( -27.383 7.461 -10.467) 30.249 9.195 ( 6.395 21.208 -3.699) 22.458 9.545 ( -13.051 17.122 -2.492) 21.673 9.683 ( -7.310 -0.808 -6.058) 9.528 9.700 ( -0.736 0.894 -18.437) 18.473 9.950 ( 4.359 -1.681 -1.094) 4.798 10.185 ( 5.755 -7.891 1.763) 9.925 10.348 ( -8.006 10.368 -20.060) 23.958 10.485 ( -5.142 -8.796 -4.395) 11.096 10.823 ( -4.226 14.848 -5.837) 16.505 11.151 ( 10.759 -9.509 5.919) 15.531 11.463 ( 30.728 3.154 0.385) 30.892 11.864 ( 16.577 -1.445 -17.007) 23.794 12.105 ( 17.419 4.067 10.050) 20.518 12.399 ( 1.892 -17.518 15.981) 23.787 12.869 ( 5.703 -12.511 8.516) 16.173 13.465 ( 2.638 5.959 3.977) 7.634 13.756 ( -2.529 14.210 -1.533) 14.515 13.980 ( -11.313 5.925 4.965) 13.701 14.212 ( 0.104 -6.682 16.167) 17.494 14.473 ( 5.210 -0.636 17.271) 18.051 14.874 ( -2.284 2.137 0.079) 3.129 15.069 ( -2.498 0.445 -3.973) 4.715 15.449 ( 20.434 -4.982 -5.085) 21.638 16.001 ( 2.243 -6.839 9.710) 12.087 16.487 ( 5.091 10.057 10.421) 15.351 16.959 ( -13.383 0.051 -13.182) 18.785 17.111 ( -23.674 -0.174 1.068) 23.698 17.136 ( -22.929 -1.304 4.751) 23.453 17.525 ( 11.007 0.884 -1.566) 11.153 17.802 ( -4.866 -2.528 -5.000) 7.421 17.903 ( 3.398 -2.131 -4.172) 5.787 18.288 ( 11.626 0.304 1.098) 11.682 18.693 ( 28.339 4.593 13.434) 31.697 18.995 ( -10.441 -1.859 5.803) 12.089 19.396 ( -0.677 0.385 -2.060) 2.202 19.453 ( -2.725 -3.986 -8.681) 9.934 19.873 ( 19.675 1.351 20.128) 28.179 20.424 ( -27.967 1.044 -14.098) 31.336 20.636 ( 3.741 -5.660 2.078) 7.096 20.973 ( -0.807 6.293 -0.072) 6.345 21.475 ( 1.516 2.423 8.099) 8.589 21.776 ( -0.422 -1.736 12.483) 12.610 22.008 ( 1.517 -0.225 -4.424) 4.682 22.028 ( -5.345 0.821 2.056) 5.785 22.157 ( 5.778 -0.055 -7.199) 9.231 22.304 ( -12.543 -0.203 2.235) 12.742 22.343 ( 1.393 0.277 -0.570) 1.530 22.596 ( -4.982 -1.106 1.543) 5.331 22.667 ( -7.351 1.580 0.080) 7.520 22.754 ( 2.945 -0.621 0.050) 3.010 22.849 ( 13.761 -0.206 -1.312) 13.825 22.932 ( 13.428 0.423 1.849) 13.561 23.050 ( 8.249 -1.585 1.650) 8.560 23.994 ( -4.670 -0.957 7.445) 8.840 24.106 ( -2.855 0.352 6.058) 6.707 24.515 ( -0.256 -0.920 -5.925) 6.001 24.578 ( -0.110 -0.167 -4.800) 4.804 25.502 ( -23.581 0.288 -7.536) 24.758 25.795 ( -8.741 -1.769 1.058) 8.981 26.034 ( -0.537 2.743 -3.065) 4.149 26.058 ( 2.799 0.554 0.972) 3.014 26.219 ( 4.897 -0.439 -0.528) 4.945 26.312 ( 8.993 0.349 3.536) 9.669 26.380 ( -0.235 1.017 4.950) 5.059 26.408 ( 3.898 -1.273 5.361) 6.749 27.174 ( -4.787 2.081 1.581) 5.454 27.311 ( 4.419 -0.672 2.061) 4.922 27.395 ( -3.185 -0.275 -0.960) 3.338 27.505 ( -1.734 -0.353 -3.646) 4.053 27.579 ( 0.708 -1.039 -5.061) 5.214 27.710 ( 5.246 0.635 -3.318) 6.240 27.889 ( -0.920 0.038 0.227) 0.948 27.953 ( 0.979 0.930 2.004) 2.416 29.239 ( -0.749 -0.342 1.410) 1.633 29.302 ( 0.131 0.590 3.038) 3.097 29.436 ( 0.103 -0.611 0.582) 0.850 29.482 ( 0.708 0.271 -0.423) 0.868 31.820 ( -2.017 0.647 -2.118) 2.995 31.856 ( 1.578 -1.146 -0.622) 2.047 32.025 ( -3.622 0.251 1.351) 3.873 32.164 ( 3.413 -0.315 3.937) 5.220 ======================= Grid point 41 (35/84) ======================= q-point: (-0.08 0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 118 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.562 ( -39.588 -33.921 -0.000) 52.133 3.567 ( -26.430 -37.370 -0.000) 45.772 4.862 ( 36.700 8.582 -0.000) 37.690 4.950 ( 21.629 12.676 0.000) 25.069 5.386 ( 0.244 -0.188 -0.000) 0.308 5.457 ( 0.297 -4.451 -0.000) 4.461 6.005 ( -30.789 -55.739 -0.000) 63.677 6.148 ( -0.116 22.527 0.000) 22.527 6.477 ( -12.412 -26.408 -0.000) 29.179 6.941 ( -11.468 17.832 0.000) 21.201 7.521 ( 3.209 6.264 0.000) 7.038 7.815 ( 3.443 0.101 -0.000) 3.444 8.411 ( -18.310 12.023 0.000) 21.904 8.469 ( 0.790 5.610 0.000) 5.666 8.838 ( -43.309 3.112 0.000) 43.420 8.862 ( 9.765 7.361 0.000) 12.228 8.995 ( -18.701 21.125 0.000) 28.213 9.134 ( 12.179 -7.874 -0.000) 14.502 9.158 ( -21.763 21.394 0.000) 30.517 9.476 ( -4.797 -8.492 -0.000) 9.753 10.187 ( -1.428 1.052 0.000) 1.774 10.463 ( -1.226 16.464 0.000) 16.509 10.600 ( -4.197 -15.804 -0.000) 16.352 10.789 ( 10.972 -26.348 -0.000) 28.541 11.110 ( 14.643 9.142 0.000) 17.263 11.424 ( 60.027 -2.350 -0.000) 60.073 11.722 ( 19.789 -7.982 -0.000) 21.338 12.138 ( 33.409 9.233 -0.000) 34.661 12.731 ( -10.448 37.773 0.000) 39.191 13.111 ( 3.512 -19.698 -0.000) 20.008 13.525 ( 0.081 6.677 0.000) 6.677 13.656 ( 9.040 -12.115 -0.000) 15.116 14.234 ( -17.559 2.101 0.000) 17.685 14.467 ( -12.664 1.613 0.000) 12.766 14.748 ( -14.551 -9.586 -0.000) 17.425 15.028 ( 4.114 0.116 -0.000) 4.115 15.200 ( 20.763 -1.870 -0.000) 20.847 15.211 ( 20.660 3.203 -0.000) 20.907 16.441 ( 0.937 -12.043 -0.000) 12.080 16.501 ( 2.824 12.864 0.000) 13.171 16.578 ( -23.166 0.951 0.000) 23.185 16.946 ( -25.736 -0.466 0.000) 25.740 17.464 ( 15.681 -0.136 -0.000) 15.682 17.694 ( -26.915 -3.327 0.000) 27.120 17.720 ( 7.627 -0.012 -0.000) 7.627 17.771 ( -13.176 -6.778 0.000) 14.817 18.295 ( 19.233 -0.115 -0.000) 19.234 18.794 ( 19.653 10.314 -0.000) 22.194 19.224 ( -3.896 3.580 0.000) 5.291 19.283 ( -36.642 0.881 0.000) 36.653 19.304 ( -4.065 -3.943 -0.000) 5.663 19.971 ( -13.465 -1.861 0.000) 13.593 20.707 ( 13.311 2.222 -0.000) 13.495 20.707 ( 11.005 -4.216 -0.000) 11.785 20.805 ( 2.561 8.731 0.000) 9.099 21.334 ( 40.950 -1.116 -0.000) 40.965 21.845 ( -12.699 1.945 0.000) 12.847 22.054 ( -18.199 0.841 0.000) 18.218 22.131 ( 2.996 -1.510 -0.000) 3.355 22.153 ( -0.677 -3.215 -0.000) 3.285 22.176 ( 0.920 0.736 0.000) 1.178 22.515 ( -4.673 0.831 0.000) 4.747 22.628 ( -5.889 1.323 0.000) 6.036 22.742 ( 5.828 -2.719 -0.000) 6.431 22.757 ( -8.630 -2.079 0.000) 8.877 22.810 ( 15.090 0.004 -0.000) 15.090 22.971 ( 8.047 0.117 -0.000) 8.048 23.145 ( 11.617 -2.454 -0.000) 11.874 24.314 ( -1.154 -0.829 -0.000) 1.421 24.327 ( -0.146 -1.340 -0.000) 1.348 24.346 ( -3.017 2.396 0.000) 3.853 24.364 ( -1.045 -2.064 -0.000) 2.314 25.300 ( -32.088 -0.563 0.000) 32.093 25.856 ( -7.385 -1.664 0.000) 7.571 25.875 ( -1.317 2.028 0.000) 2.418 26.026 ( 0.992 2.036 0.000) 2.265 26.186 ( 4.425 1.440 -0.000) 4.654 26.333 ( 16.614 0.618 -0.000) 16.625 26.498 ( -1.923 1.596 0.000) 2.499 26.608 ( 2.901 -2.540 -0.000) 3.855 27.138 ( -6.418 3.469 0.000) 7.296 27.355 ( -2.569 -0.080 0.000) 2.570 27.394 ( 4.430 -1.433 -0.000) 4.656 27.422 ( -4.406 0.385 0.000) 4.423 27.470 ( 2.538 -0.965 -0.000) 2.715 27.639 ( 5.322 -0.830 -0.000) 5.386 27.914 ( -1.998 0.717 0.000) 2.122 27.980 ( 0.774 1.748 0.000) 1.911 29.298 ( -1.536 -1.333 -0.000) 2.033 29.355 ( 1.166 2.674 0.000) 2.918 29.413 ( -1.459 -0.926 -0.000) 1.728 29.500 ( 2.354 -0.263 -0.000) 2.369 31.756 ( -3.061 1.142 0.000) 3.267 31.883 ( 2.662 -2.203 -0.000) 3.456 32.054 ( -4.489 0.244 0.000) 4.495 32.259 ( 4.778 -0.393 -0.000) 4.794 ======================= Grid point 42 (36/84) ======================= q-point: (-0.08 0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.249 ( 61.634 -0.000 -0.000) 61.634 1.410 ( 68.846 -0.000 -0.000) 68.846 2.158 ( 104.553 -0.000 -0.000) 104.553 5.387 ( -1.037 0.000 0.000) 1.037 5.482 ( -2.092 0.000 0.000) 2.092 5.706 ( -5.078 0.000 0.000) 5.078 5.737 ( -36.231 0.000 0.000) 36.231 6.382 ( -23.035 0.000 0.000) 23.035 6.689 ( 1.259 -0.000 -0.000) 1.259 7.009 ( 12.252 -0.000 -0.000) 12.252 7.578 ( 2.070 -0.000 -0.000) 2.070 7.691 ( 45.903 -0.000 -0.000) 45.903 8.124 ( -19.501 0.000 0.000) 19.501 8.206 ( 44.345 -0.000 -0.000) 44.345 8.528 ( 6.539 -0.000 -0.000) 6.539 8.586 ( 0.444 -0.000 -0.000) 0.444 9.090 ( -15.133 0.000 0.000) 15.133 9.275 ( -6.942 0.000 0.000) 6.942 9.503 ( 29.320 -0.000 -0.000) 29.320 10.078 ( 4.068 -0.000 -0.000) 4.068 10.245 ( -5.424 0.000 0.000) 5.424 10.370 ( -5.486 0.000 0.000) 5.486 10.708 ( 1.240 -0.000 -0.000) 1.240 11.090 ( -8.439 0.000 0.000) 8.439 11.503 ( -7.819 0.000 0.000) 7.819 12.017 ( -36.982 0.000 0.000) 36.982 12.095 ( -16.326 0.000 0.000) 16.326 12.513 ( -33.426 0.000 0.000) 33.426 13.091 ( -30.336 0.000 0.000) 30.336 13.429 ( -4.623 0.000 0.000) 4.623 13.437 ( -0.499 0.000 0.000) 0.499 13.804 ( 1.140 -0.000 -0.000) 1.140 13.900 ( 26.706 -0.000 -0.000) 26.706 14.075 ( 9.110 -0.000 -0.000) 9.110 14.344 ( 6.078 -0.000 -0.000) 6.078 14.989 ( 5.760 -0.000 -0.000) 5.760 15.613 ( -12.781 0.000 0.000) 12.781 15.631 ( -20.995 0.000 0.000) 20.995 16.208 ( 14.653 -0.000 -0.000) 14.653 16.288 ( -9.453 0.000 0.000) 9.453 16.425 ( 22.075 -0.000 -0.000) 22.075 16.904 ( 27.039 -0.000 -0.000) 27.039 16.960 ( -2.316 0.000 0.000) 2.316 17.537 ( 4.287 -0.000 -0.000) 4.287 17.663 ( 13.426 -0.000 -0.000) 13.426 17.687 ( -6.867 0.000 0.000) 6.867 18.642 ( -15.834 0.000 0.000) 15.834 18.785 ( 13.535 -0.000 -0.000) 13.535 19.074 ( 7.746 -0.000 -0.000) 7.746 19.218 ( 0.537 -0.000 -0.000) 0.537 19.363 ( -8.541 0.000 0.000) 8.541 19.687 ( 5.960 -0.000 -0.000) 5.960 20.702 ( -3.972 0.000 0.000) 3.972 21.043 ( -14.507 0.000 0.000) 14.507 21.082 ( -1.357 0.000 0.000) 1.357 21.560 ( 13.928 -0.000 -0.000) 13.928 21.895 ( 12.385 -0.000 -0.000) 12.385 22.003 ( 0.297 -0.000 -0.000) 0.297 22.142 ( -1.481 0.000 0.000) 1.481 22.163 ( -2.498 0.000 0.000) 2.498 22.222 ( -39.145 0.000 0.000) 39.145 22.446 ( 5.328 -0.000 -0.000) 5.328 22.491 ( 5.137 -0.000 -0.000) 5.137 22.565 ( 3.825 -0.000 -0.000) 3.825 22.805 ( -3.898 0.000 0.000) 3.898 23.065 ( -9.196 0.000 0.000) 9.196 23.125 ( -2.582 0.000 0.000) 2.582 23.322 ( -14.480 0.000 0.000) 14.480 24.219 ( 7.260 -0.000 -0.000) 7.260 24.220 ( 10.581 -0.000 -0.000) 10.581 24.287 ( -0.652 0.000 0.000) 0.652 24.313 ( 0.571 -0.000 -0.000) 0.571 24.656 ( 27.751 -0.000 -0.000) 27.751 25.658 ( 5.605 -0.000 -0.000) 5.605 25.944 ( 0.112 -0.000 -0.000) 0.112 26.139 ( -2.229 0.000 0.000) 2.229 26.286 ( -3.050 0.000 0.000) 3.050 26.512 ( 0.822 -0.000 -0.000) 0.822 26.562 ( -0.772 0.000 0.000) 0.772 26.645 ( -9.557 0.000 0.000) 9.557 27.151 ( 2.703 -0.000 -0.000) 2.703 27.317 ( 1.428 -0.000 -0.000) 1.428 27.343 ( 2.617 -0.000 -0.000) 2.617 27.452 ( -0.655 0.000 0.000) 0.655 27.575 ( -5.159 0.000 0.000) 5.159 27.691 ( -2.447 0.000 0.000) 2.447 27.911 ( 0.395 -0.000 -0.000) 0.395 28.052 ( -0.684 0.000 0.000) 0.684 29.258 ( 0.247 -0.000 -0.000) 0.247 29.346 ( 1.435 -0.000 -0.000) 1.435 29.488 ( -1.411 0.000 0.000) 1.411 29.488 ( -0.795 0.000 0.000) 0.795 31.726 ( 2.282 -0.000 -0.000) 2.282 31.861 ( -1.145 0.000 0.000) 1.145 31.987 ( 2.598 -0.000 -0.000) 2.598 32.325 ( -2.752 0.000 0.000) 2.752 ======================= Grid point 44 (37/84) ======================= q-point: (-0.08 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.452 ( -5.444 -7.497 6.118) 11.103 4.834 ( -6.387 -24.124 11.722) 27.571 4.947 ( 11.536 -8.652 5.406) 15.400 5.255 ( 28.969 4.869 23.105) 37.373 5.450 ( 2.027 4.235 2.540) 5.338 5.495 ( 7.597 4.326 2.304) 9.041 6.165 ( -9.060 5.097 13.691) 17.191 6.568 ( -6.898 11.947 1.880) 13.923 6.989 ( 17.345 -2.262 0.579) 17.502 7.293 ( -16.071 10.975 4.177) 19.904 7.778 ( -9.501 0.865 -12.089) 15.400 8.161 ( 7.947 6.474 24.818) 26.851 8.208 ( -1.963 -28.031 22.381) 35.924 8.416 ( 4.554 -5.383 12.089) 13.995 8.547 ( -15.213 1.842 -2.819) 15.582 8.815 ( -24.920 7.570 10.135) 27.946 9.273 ( -30.267 -0.174 17.757) 35.092 9.512 ( -6.768 -5.278 12.478) 15.144 9.744 ( -13.066 10.431 19.405) 25.614 9.963 ( 3.829 -7.990 20.090) 21.957 10.206 ( -4.757 -7.108 3.430) 9.216 10.444 ( -8.602 -1.436 9.670) 13.022 10.740 ( 17.024 -5.307 -8.467) 19.740 11.113 ( -3.846 -7.419 6.859) 10.811 11.310 ( 36.269 1.585 -7.822) 37.137 11.396 ( 4.175 -14.567 5.995) 16.297 11.787 ( 23.537 11.196 -5.900) 26.724 11.911 ( 5.595 16.253 17.108) 24.252 12.113 ( -2.012 23.247 -0.719) 23.345 12.788 ( 0.496 7.154 -27.670) 28.584 13.216 ( -12.739 -4.748 -28.652) 31.714 13.631 ( -4.695 5.214 -2.875) 7.583 13.879 ( 0.763 -4.602 2.428) 5.259 14.550 ( -7.614 -5.968 -1.745) 9.831 14.627 ( 15.346 -5.750 -14.716) 22.025 14.769 ( -5.574 3.192 -0.926) 6.490 15.050 ( 6.759 -1.039 -2.939) 7.443 15.649 ( 20.368 -3.475 9.625) 22.795 16.036 ( 3.761 8.010 -9.580) 13.041 16.406 ( 2.643 -8.803 -7.077) 11.601 16.996 ( -13.025 -1.982 12.819) 18.382 17.102 ( -22.904 0.279 5.000) 23.445 17.153 ( -23.448 0.458 -15.271) 27.986 17.490 ( 10.252 0.645 0.390) 10.280 17.956 ( -5.718 -3.448 4.543) 8.076 18.009 ( 4.160 -2.088 5.368) 7.105 18.270 ( 13.184 0.523 -1.850) 13.324 18.409 ( 24.785 6.966 -10.223) 27.700 19.049 ( -9.522 -0.610 -4.438) 10.523 19.361 ( -1.706 1.088 6.465) 6.775 19.624 ( -1.212 -2.652 4.261) 5.163 19.795 ( 24.349 1.706 -23.629) 33.972 20.335 ( -21.484 3.470 10.944) 24.359 20.652 ( -15.401 5.107 7.282) 17.785 20.863 ( 1.677 -3.239 0.121) 3.649 21.365 ( -0.375 1.900 -11.214) 11.380 21.853 ( 0.018 -1.354 -11.494) 11.573 21.942 ( -6.421 2.165 -3.786) 7.762 22.068 ( 3.785 -1.625 7.404) 8.473 22.190 ( 1.559 -1.202 0.006) 1.968 22.285 ( -3.672 0.849 5.231) 6.448 22.382 ( 1.788 -1.295 -3.844) 4.433 22.534 ( -2.422 1.410 0.891) 2.940 22.710 ( -8.146 -1.237 -2.898) 8.734 22.822 ( 5.224 -2.271 -0.160) 5.699 22.860 ( 11.164 -0.131 1.853) 11.317 22.969 ( 8.014 -2.030 -0.885) 8.314 23.096 ( 13.915 -0.216 -3.787) 14.422 24.033 ( -3.970 -0.426 -7.178) 8.214 24.071 ( -2.563 0.926 -6.779) 7.306 24.555 ( -0.391 -0.719 4.701) 4.772 24.579 ( 2.414 0.199 5.697) 6.191 25.508 ( -24.102 -0.485 6.765) 25.039 25.860 ( -9.371 -0.854 -1.474) 9.524 25.931 ( -1.967 1.810 2.996) 4.015 26.012 ( 2.396 1.378 0.150) 2.768 26.208 ( 3.913 -0.705 1.426) 4.224 26.313 ( 4.118 1.816 -3.028) 5.425 26.345 ( 6.229 -0.658 -2.057) 6.593 26.460 ( 2.398 -1.000 -8.089) 8.496 27.063 ( -5.553 2.321 -0.253) 6.024 27.378 ( -0.522 -1.151 -0.387) 1.322 27.410 ( 1.395 -1.076 -0.955) 2.004 27.523 ( -1.147 -0.462 5.547) 5.684 27.614 ( 3.626 0.350 3.953) 5.375 27.689 ( 3.939 -0.365 1.286) 4.159 27.877 ( -2.347 0.488 -0.469) 2.443 27.909 ( -0.197 0.822 0.115) 0.853 29.253 ( -1.348 -0.431 -2.311) 2.710 29.279 ( 0.525 0.630 -1.844) 2.018 29.411 ( -0.591 0.806 -0.608) 1.170 29.519 ( 1.717 -1.061 0.333) 2.046 31.789 ( -1.384 0.605 2.496) 2.917 31.915 ( 2.154 -1.155 -0.256) 2.458 32.013 ( -3.490 0.237 -1.530) 3.818 32.180 ( 3.451 -0.306 -3.861) 5.188 ======================= Grid point 45 (38/84) ======================= q-point: (-0.10 0.48 -0.65) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.419 ( -1.433 -3.581 -1.263) 4.059 4.741 ( -10.289 -19.976 -0.074) 22.470 5.255 ( 3.652 -10.544 7.794) 13.611 5.505 ( 1.860 -1.356 -0.096) 2.304 5.617 ( 2.897 -2.680 5.799) 7.014 6.020 ( -0.594 -9.170 -8.623) 12.602 6.342 ( 13.570 13.637 6.785) 20.400 6.573 ( 2.331 1.583 10.364) 10.740 6.945 ( -1.469 5.852 -19.629) 20.535 7.189 ( -2.870 20.607 6.714) 21.862 7.646 ( 20.546 3.153 -0.491) 20.793 7.825 ( -21.386 8.388 -6.328) 23.828 8.596 ( -2.748 -8.745 12.080) 15.164 8.717 ( -8.519 -5.384 16.625) 19.441 8.887 ( -11.034 -5.821 26.549) 29.334 9.216 ( -1.340 -10.927 49.758) 50.962 9.388 ( -7.013 16.130 6.338) 18.696 9.597 ( -3.959 -9.337 42.431) 43.626 9.992 ( -5.681 -2.348 -8.577) 10.552 10.228 ( 4.563 7.711 22.710) 24.413 10.385 ( -4.227 -14.825 23.297) 27.935 10.569 ( -6.604 -0.081 15.009) 16.398 10.913 ( 17.594 -16.305 -12.200) 26.912 11.121 ( -6.467 -8.250 4.086) 11.251 11.338 ( 4.834 -8.767 -18.277) 20.839 11.471 ( 1.450 4.035 -18.508) 18.998 11.784 ( 6.862 13.292 -28.902) 32.544 11.945 ( -2.205 -1.399 -13.882) 14.126 12.043 ( 0.328 9.275 -28.511) 29.983 12.169 ( -8.501 9.068 -23.719) 26.779 12.601 ( -4.837 32.207 25.517) 41.373 13.752 ( 1.671 -1.282 8.607) 8.861 13.919 ( -3.530 -4.593 2.737) 6.407 14.173 ( -3.661 -2.108 -13.726) 14.361 14.503 ( 2.311 -5.364 -10.986) 12.442 14.909 ( 7.851 -5.632 -12.976) 16.179 15.241 ( 11.775 1.081 16.741) 20.496 15.866 ( 5.915 3.361 -6.661) 9.521 15.987 ( 7.888 2.372 -12.089) 14.628 16.326 ( 3.032 -10.589 -5.242) 12.198 16.775 ( -19.734 0.348 6.637) 20.823 16.915 ( -7.434 -0.070 6.894) 10.139 17.142 ( -4.426 -1.391 17.948) 18.538 17.570 ( 3.238 1.228 -5.376) 6.395 17.994 ( -3.456 -2.719 7.600) 8.781 18.306 ( 5.224 0.426 -9.658) 10.989 18.378 ( 24.840 -2.175 10.199) 26.940 18.659 ( 19.163 7.338 -8.980) 22.399 19.065 ( 3.849 -1.097 8.040) 8.981 19.437 ( 1.958 0.241 -0.252) 1.988 19.648 ( -5.910 -1.844 5.172) 8.067 19.808 ( 20.946 1.036 -18.896) 28.229 20.081 ( -29.675 1.254 16.004) 33.739 20.576 ( -4.047 6.973 3.699) 8.871 20.808 ( -14.131 0.559 -13.217) 19.357 20.989 ( -2.695 -1.670 -3.616) 4.809 21.527 ( -8.521 1.057 -10.849) 13.835 21.621 ( -0.982 -1.462 -9.900) 10.056 22.048 ( -6.965 -0.037 5.357) 8.787 22.151 ( -4.344 1.038 -0.317) 4.477 22.186 ( 2.548 -1.670 -3.031) 4.297 22.440 ( -7.446 -1.373 -5.917) 9.609 22.542 ( -2.355 0.842 4.308) 4.982 22.820 ( 2.106 -2.847 -3.421) 4.924 23.020 ( 15.464 -0.902 4.176) 16.044 23.070 ( 6.018 0.436 1.296) 6.171 23.102 ( 12.304 -0.423 2.453) 12.554 23.300 ( 13.167 0.020 -3.285) 13.571 23.786 ( -9.471 -1.109 -1.543) 9.660 23.898 ( -3.788 0.626 -5.745) 6.910 24.658 ( 1.127 -0.159 4.142) 4.296 24.733 ( 2.885 -0.733 3.486) 4.584 25.272 ( -15.082 -0.284 9.598) 17.879 25.605 ( -9.243 0.159 -4.734) 10.386 25.973 ( -0.598 2.165 3.790) 4.406 26.063 ( 2.191 0.665 0.077) 2.291 26.155 ( -0.388 0.332 -5.124) 5.149 26.306 ( 1.136 0.399 -2.646) 2.907 26.342 ( 0.586 -0.805 -2.313) 2.518 26.470 ( 4.174 -0.349 -2.566) 4.912 27.000 ( -2.334 0.981 1.341) 2.865 27.339 ( -1.870 0.774 0.810) 2.180 27.438 ( 3.272 -1.939 -2.462) 4.531 27.605 ( -1.045 -1.974 3.790) 4.399 27.704 ( 0.267 0.637 1.165) 1.354 27.808 ( 5.272 0.888 1.231) 5.486 27.846 ( -1.217 1.379 0.994) 2.091 27.935 ( -0.789 -0.536 2.393) 2.576 29.189 ( -0.941 -0.185 -1.127) 1.480 29.251 ( 0.383 0.077 -2.023) 2.061 29.399 ( -0.044 1.495 0.037) 1.496 29.539 ( 0.756 -1.493 -0.754) 1.835 31.851 ( 0.556 0.367 4.267) 4.319 31.932 ( 0.640 -0.869 -0.695) 1.283 31.940 ( -1.830 0.275 -0.238) 1.866 32.124 ( 1.013 -0.325 -5.941) 6.036 ======================= Grid point 46 (39/84) ======================= q-point: (-0.10 0.48 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.264 ( 17.244 -11.721 18.227) 27.694 4.556 ( 21.330 0.626 33.464) 39.689 5.060 ( -0.349 3.710 4.573) 5.899 5.337 ( -2.241 -7.743 0.912) 8.112 5.557 ( -2.155 0.885 4.767) 5.305 5.567 ( -15.896 -3.920 4.335) 16.936 5.982 ( 19.261 -19.234 7.027) 28.113 6.835 ( -7.458 -3.061 0.183) 8.063 7.146 ( -17.808 -3.940 -4.295) 18.738 7.227 ( 7.910 21.074 1.839) 22.584 7.412 ( -6.590 -5.459 -28.093) 29.367 8.249 ( 9.610 -14.465 -1.294) 17.415 8.613 ( 3.555 8.581 15.138) 17.761 8.951 ( 5.005 10.789 49.279) 50.693 9.422 ( 14.426 10.864 21.989) 28.454 9.485 ( 3.474 7.360 31.248) 32.291 9.559 ( 13.376 3.911 1.057) 13.976 9.651 ( -7.914 -10.164 -1.674) 12.990 9.917 ( -6.062 1.850 -3.656) 7.317 10.062 ( 9.061 8.747 16.919) 21.092 10.245 ( 4.397 -6.558 2.108) 8.172 10.529 ( -2.201 0.025 5.060) 5.518 10.664 ( -0.392 0.827 8.974) 9.021 10.984 ( -1.767 -11.572 -10.373) 15.641 11.173 ( 14.650 8.928 18.982) 25.586 11.427 ( -16.024 1.152 -3.331) 16.407 11.678 ( 1.390 -1.982 -38.601) 38.676 11.865 ( -5.982 -1.320 -10.333) 12.012 12.276 ( -1.919 -3.154 8.753) 9.500 12.907 ( -10.092 2.850 -1.332) 10.571 13.116 ( -2.294 -2.121 -24.387) 24.587 13.785 ( -3.175 0.496 2.819) 4.274 13.878 ( 2.746 0.590 -3.207) 4.263 13.999 ( 2.798 2.854 2.115) 4.522 14.270 ( 0.983 -2.466 -6.900) 7.393 14.671 ( -3.648 1.178 -17.078) 17.503 15.283 ( 6.042 3.352 14.566) 16.122 15.511 ( -14.359 -4.962 -0.797) 15.213 15.819 ( -1.503 -7.536 -7.355) 10.637 16.294 ( -4.929 9.981 -7.771) 13.576 16.974 ( 8.116 -0.895 0.183) 8.167 17.214 ( 8.190 0.329 8.507) 11.814 17.233 ( 12.754 0.121 4.465) 13.513 17.530 ( -6.426 1.163 -1.495) 6.699 17.898 ( -3.981 -2.640 3.545) 5.948 17.987 ( 3.141 -2.237 4.947) 6.272 18.243 ( -8.193 0.641 -3.668) 9.000 18.382 ( -26.843 3.865 -15.070) 31.026 18.942 ( -0.035 -1.967 0.806) 2.126 19.318 ( -10.137 0.476 -10.286) 14.449 19.598 ( 0.592 -2.497 4.925) 5.554 19.644 ( -2.564 0.301 -1.925) 3.220 20.582 ( -0.823 -5.562 -1.731) 5.883 20.684 ( 19.574 -0.122 9.474) 21.746 20.981 ( 3.728 4.408 0.678) 5.812 21.291 ( 5.347 3.354 -8.688) 10.738 21.576 ( 6.775 -1.857 -5.466) 8.901 21.908 ( 16.726 3.096 -9.992) 19.727 22.049 ( -0.345 -0.081 1.218) 1.269 22.147 ( 6.737 -2.240 -3.612) 7.966 22.358 ( 4.820 0.458 7.681) 9.080 22.514 ( -5.382 0.545 4.571) 7.083 22.565 ( -5.310 -1.451 3.415) 6.478 22.681 ( 2.297 2.457 1.285) 3.600 22.736 ( -1.812 -0.410 -1.419) 2.337 22.840 ( -16.332 -0.641 -2.788) 16.580 22.923 ( -10.338 0.464 1.263) 10.425 23.011 ( -7.925 -0.708 -2.204) 8.256 23.879 ( 4.176 -0.951 -3.559) 5.568 23.995 ( 2.286 0.368 -4.759) 5.293 24.628 ( -0.470 -0.315 4.737) 4.770 24.663 ( -0.866 -0.604 3.421) 3.580 25.637 ( 18.240 1.255 5.229) 19.017 25.774 ( 10.851 -2.111 -0.796) 11.083 26.032 ( -2.226 0.070 -1.113) 2.490 26.078 ( -0.429 2.108 1.077) 2.405 26.187 ( -0.632 1.094 -5.282) 5.431 26.209 ( -3.399 -2.397 -3.730) 5.587 26.307 ( -3.403 0.186 -1.246) 3.628 26.355 ( -6.103 0.403 -0.969) 6.193 27.133 ( 3.868 0.822 -2.276) 4.562 27.290 ( -4.309 -0.141 0.011) 4.311 27.409 ( 3.709 -0.177 0.379) 3.733 27.578 ( -0.148 -0.514 3.336) 3.379 27.672 ( -0.677 -0.458 3.707) 3.796 27.742 ( -5.113 0.608 -0.298) 5.157 27.916 ( 0.217 0.224 -0.441) 0.540 27.925 ( 0.473 0.249 1.977) 2.048 29.214 ( 0.541 0.213 -0.916) 1.085 29.243 ( -0.112 0.299 -2.570) 2.589 29.418 ( -0.364 -1.953 -0.969) 2.211 29.496 ( -0.132 1.355 0.791) 1.575 31.870 ( 0.426 0.473 2.539) 2.618 31.871 ( -0.880 -0.781 0.863) 1.459 32.003 ( 2.545 0.351 -0.591) 2.636 32.077 ( -1.881 -0.351 -4.457) 4.850 ======================= Grid point 47 (40/84) ======================= q-point: (-0.10 -0.27 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( 16.699 3.010 -11.357) 20.418 4.584 ( 10.567 13.987 -8.244) 19.372 5.024 ( -1.779 1.532 -11.428) 11.667 5.460 ( -6.752 2.705 -1.958) 7.532 5.538 ( 0.907 0.132 -2.735) 2.884 5.686 ( -14.766 7.468 -7.801) 18.293 6.331 ( 6.992 8.097 -5.825) 12.182 6.791 ( 4.408 -12.779 -3.764) 14.032 6.899 ( -8.153 -2.922 6.216) 10.661 7.302 ( -12.323 4.597 8.313) 15.560 7.555 ( 6.306 8.528 13.489) 17.159 7.964 ( -10.685 -18.270 11.361) 24.021 8.774 ( 14.883 7.398 -18.848) 25.129 8.938 ( 8.364 -2.743 -25.401) 26.883 9.119 ( 13.652 -4.553 -33.769) 36.708 9.301 ( 17.232 -11.673 -19.640) 28.617 9.469 ( -1.221 5.594 -38.421) 38.845 9.816 ( 6.616 -15.093 -9.597) 19.070 9.982 ( 0.261 7.068 6.335) 9.495 10.004 ( -15.025 18.067 3.405) 23.744 10.346 ( 4.507 3.487 -8.536) 10.263 10.486 ( -3.477 -4.722 -8.103) 10.002 10.665 ( 6.479 2.638 -9.470) 11.773 11.128 ( 2.331 0.927 4.851) 5.461 11.165 ( 6.863 8.635 -1.186) 11.094 11.358 ( -19.043 -4.377 -0.456) 19.545 11.776 ( -0.566 -0.151 13.954) 13.967 11.893 ( 4.050 7.687 14.396) 16.815 12.299 ( -0.872 -2.877 7.710) 8.275 12.486 ( -4.302 -22.163 24.443) 33.274 13.342 ( 5.861 -22.895 -7.891) 24.915 13.560 ( -4.549 13.992 -8.636) 17.061 13.884 ( 3.359 -2.322 -1.864) 4.489 14.149 ( -0.313 12.162 10.757) 16.240 14.312 ( -1.693 1.845 9.684) 10.002 14.659 ( -8.662 0.503 16.441) 18.590 15.194 ( 3.331 -5.192 -12.818) 14.225 15.632 ( -10.785 6.483 0.885) 12.614 16.007 ( -1.788 5.508 6.630) 8.804 16.082 ( -4.807 -4.865 8.357) 10.799 16.980 ( 6.994 -0.276 -0.241) 7.004 17.209 ( 12.920 -0.562 -3.325) 13.353 17.231 ( 8.320 0.331 -9.871) 12.914 17.503 ( -6.054 -1.326 1.517) 6.381 17.968 ( -3.769 4.114 -4.002) 6.866 18.044 ( 2.589 3.224 -4.127) 5.842 18.226 ( -10.494 -1.180 5.144) 11.747 18.281 ( -23.938 -5.781 12.990) 27.842 18.982 ( -0.050 1.819 -0.921) 2.039 19.302 ( -11.449 -1.050 12.275) 16.818 19.622 ( -1.641 -1.398 -0.939) 2.352 19.652 ( -0.677 1.797 -2.613) 3.243 20.613 ( 11.815 -4.608 -6.453) 14.230 20.750 ( -0.784 6.717 0.306) 6.769 20.897 ( 16.052 -2.477 -7.065) 17.712 21.209 ( 5.604 -4.346 9.415) 11.787 21.621 ( 5.781 2.390 5.714) 8.473 21.842 ( 15.476 -3.302 9.682) 18.552 22.066 ( -1.252 1.699 -0.043) 2.110 22.187 ( 5.896 1.439 4.007) 7.272 22.343 ( 6.072 -0.995 -7.167) 9.446 22.505 ( -12.041 -0.276 -7.565) 14.223 22.582 ( -2.600 -0.305 -0.815) 2.741 22.642 ( 6.400 -0.589 -0.186) 6.430 22.758 ( -2.158 1.870 1.520) 3.235 22.863 ( -15.013 1.685 2.497) 15.312 22.919 ( -10.314 0.118 -1.065) 10.369 23.022 ( -10.135 0.257 3.011) 10.576 23.900 ( 4.918 0.964 3.727) 6.246 23.981 ( 1.482 -0.996 4.581) 4.917 24.635 ( -0.238 0.430 -4.075) 4.105 24.674 ( -1.816 0.332 -3.617) 4.061 25.621 ( 18.071 -0.220 -4.618) 18.653 25.810 ( 11.224 1.265 1.200) 11.359 26.020 ( -3.154 -1.526 -0.571) 3.550 26.042 ( 1.038 -1.183 -1.159) 1.955 26.165 ( -0.562 -0.818 4.255) 4.369 26.255 ( -2.429 2.018 4.495) 5.493 26.303 ( -2.926 -0.059 1.086) 3.121 26.344 ( -7.401 -0.566 1.148) 7.511 27.105 ( 4.524 -1.942 0.622) 4.962 27.308 ( -4.951 1.667 1.223) 5.365 27.410 ( 3.992 -0.036 -0.354) 4.008 27.594 ( 0.013 1.178 -3.076) 3.294 27.679 ( -2.137 0.150 -2.618) 3.383 27.724 ( -4.220 -1.090 -0.616) 4.402 27.900 ( 1.232 -1.175 -1.379) 2.191 27.930 ( -0.038 0.587 -0.808) 0.999 29.209 ( 0.963 -0.142 1.400) 1.705 29.241 ( -0.523 0.049 2.141) 2.204 29.440 ( 0.665 -1.236 -0.325) 1.441 29.483 ( -1.257 1.434 0.501) 1.972 31.858 ( 0.268 -0.678 -2.718) 2.814 31.892 ( -1.076 1.116 -0.397) 1.600 31.994 ( 2.499 -0.485 0.751) 2.654 32.086 ( -1.854 0.498 4.386) 4.788 ======================= Grid point 48 (41/84) ======================= q-point: (-0.10 -0.27 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.873 ( -7.608 0.000 -34.630) 35.456 4.217 ( -12.215 0.000 -61.805) 63.000 5.040 ( -8.105 0.000 -0.348) 8.112 5.224 ( -0.504 0.000 -1.468) 1.553 5.347 ( -12.195 0.000 -8.870) 15.079 5.584 ( 0.144 -0.000 -2.765) 2.768 5.979 ( 20.894 -0.000 0.772) 20.908 6.871 ( 2.754 -0.000 2.090) 3.457 7.255 ( -15.213 0.000 -10.903) 18.717 7.512 ( 6.149 -0.000 27.323) 28.007 7.562 ( 21.883 -0.000 -9.525) 23.866 7.686 ( -12.178 0.000 10.150) 15.853 8.520 ( -5.565 -0.000 -54.936) 55.217 9.035 ( -22.358 0.000 -15.096) 26.978 9.143 ( -22.535 0.000 -17.082) 28.278 9.442 ( 5.170 -0.000 -52.952) 53.203 9.511 ( 0.592 0.000 5.393) 5.426 9.628 ( 5.716 -0.000 16.143) 17.125 10.029 ( -2.775 -0.000 -22.875) 23.043 10.117 ( 1.854 -0.000 -1.073) 2.142 10.131 ( 2.255 -0.000 11.260) 11.483 10.493 ( -4.347 0.000 -23.935) 24.326 10.661 ( -1.413 -0.000 -11.297) 11.385 10.983 ( 10.846 -0.000 19.930) 22.690 11.152 ( -2.138 0.000 -8.460) 8.726 11.498 ( 0.605 0.000 35.458) 35.463 11.877 ( 9.152 -0.000 15.340) 17.863 12.019 ( 6.931 -0.000 21.208) 22.312 12.058 ( -12.954 0.000 5.327) 14.006 12.871 ( 5.297 -0.000 -8.682) 10.170 13.397 ( -4.747 0.000 59.523) 59.712 13.610 ( -0.395 0.000 -2.438) 2.470 13.874 ( -1.162 0.000 -1.656) 2.023 14.115 ( 0.812 -0.000 -2.032) 2.189 14.261 ( 4.218 -0.000 -11.326) 12.086 14.701 ( 0.808 0.000 13.601) 13.625 15.315 ( 6.251 -0.000 -17.630) 18.706 15.726 ( 4.039 -0.000 3.615) 5.421 15.856 ( 16.370 -0.000 10.839) 19.633 16.514 ( 4.374 -0.000 7.428) 8.620 16.782 ( -11.836 0.000 -5.446) 13.028 16.846 ( -20.210 0.000 -8.923) 22.092 17.102 ( -4.956 0.000 -17.304) 17.999 17.648 ( 3.813 -0.000 5.159) 6.415 17.825 ( -4.085 0.000 -9.618) 10.450 18.190 ( 22.730 -0.000 -8.000) 24.097 18.358 ( 4.134 -0.000 8.592) 9.535 18.971 ( 3.853 -0.000 -9.435) 10.192 19.009 ( 23.744 -0.000 12.191) 26.690 19.444 ( 2.837 -0.000 -0.096) 2.838 19.481 ( -10.505 0.000 -12.075) 16.005 19.833 ( 17.281 -0.000 20.211) 26.592 20.161 ( -23.424 0.000 -10.825) 25.804 20.551 ( -0.235 0.000 5.581) 5.586 21.059 ( 2.267 -0.000 0.948) 2.458 21.079 ( -19.836 0.000 17.499) 26.452 21.488 ( -1.136 0.000 10.543) 10.604 21.612 ( -10.671 0.000 9.089) 14.017 22.032 ( -0.692 0.000 -1.121) 1.318 22.056 ( -2.157 0.000 -3.851) 4.414 22.199 ( -6.172 0.000 -4.149) 7.437 22.343 ( -7.972 0.000 5.072) 9.449 22.672 ( -1.600 0.000 -4.112) 4.412 22.747 ( 0.905 -0.000 4.106) 4.204 23.037 ( 21.184 -0.000 -8.857) 22.961 23.071 ( 5.872 -0.000 -0.340) 5.882 23.111 ( 6.168 -0.000 -0.230) 6.172 23.235 ( 18.255 -0.000 2.316) 18.402 23.745 ( -9.394 0.000 1.124) 9.461 23.890 ( -8.018 0.000 4.346) 9.120 24.658 ( -0.040 -0.000 -4.064) 4.064 24.662 ( 2.872 -0.000 -6.274) 6.900 25.292 ( -15.631 0.000 -10.414) 18.783 25.551 ( -8.048 0.000 4.034) 9.002 26.059 ( 1.034 -0.000 2.801) 2.985 26.137 ( 1.778 -0.000 -2.215) 2.840 26.199 ( -0.244 0.000 6.197) 6.202 26.234 ( 1.773 -0.000 6.489) 6.727 26.367 ( 2.088 -0.000 -2.232) 3.056 26.445 ( 2.344 -0.000 3.942) 4.586 27.078 ( -2.572 0.000 2.178) 3.370 27.349 ( 1.711 -0.000 -1.449) 2.242 27.365 ( -0.871 0.000 0.273) 0.913 27.562 ( -0.847 0.000 -4.549) 4.627 27.662 ( -0.287 -0.000 -3.749) 3.760 27.858 ( 4.597 -0.000 0.422) 4.616 27.911 ( -0.820 0.000 -4.132) 4.213 27.919 ( -0.093 0.000 3.067) 3.068 29.213 ( -0.066 0.000 0.321) 0.328 29.239 ( -0.532 0.000 2.900) 2.949 29.406 ( 0.472 -0.000 1.544) 1.615 29.513 ( 0.221 -0.000 -1.096) 1.118 31.874 ( 0.310 -0.000 -4.169) 4.181 31.877 ( 0.528 -0.000 -0.594) 0.795 31.958 ( -2.070 0.000 -0.222) 2.082 32.104 ( 1.075 -0.000 5.978) 6.074 ======================= Grid point 51 (42/84) ======================= q-point: (-0.10 0.23 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.767 ( 50.036 -0.000 29.525) 58.098 3.013 ( 54.259 -0.000 24.785) 59.651 4.575 ( 64.108 -0.000 39.183) 75.134 5.173 ( -23.069 0.000 10.697) 25.428 5.293 ( -2.165 0.000 -3.545) 4.153 5.448 ( -3.096 0.000 2.244) 3.824 5.536 ( -1.223 0.000 -5.146) 5.289 6.226 ( -19.884 0.000 24.900) 31.865 6.736 ( 2.639 -0.000 5.534) 6.131 7.376 ( 20.764 -0.000 1.122) 20.794 7.652 ( -16.639 0.000 -3.640) 17.033 7.755 ( 2.719 -0.000 13.337) 13.611 8.346 ( 6.016 -0.000 -13.471) 14.754 8.427 ( -2.332 0.000 -16.449) 16.614 8.892 ( 24.359 -0.000 8.807) 25.902 9.186 ( 21.969 -0.000 24.840) 33.161 9.228 ( -12.419 0.000 16.579) 20.715 9.321 ( 29.241 -0.000 14.969) 32.850 9.932 ( 17.124 -0.000 -4.316) 17.660 10.009 ( -13.542 0.000 -4.978) 14.428 10.173 ( -10.701 0.000 -5.173) 11.885 10.254 ( 23.686 -0.000 -4.166) 24.049 10.674 ( -2.327 0.000 -3.493) 4.197 10.882 ( -11.776 0.000 3.767) 12.364 11.143 ( -22.509 0.000 -5.300) 23.124 11.416 ( -45.198 0.000 5.224) 45.499 11.505 ( -20.180 0.000 14.188) 24.668 12.031 ( -16.923 0.000 5.010) 17.649 12.340 ( -28.673 0.000 -6.073) 29.309 13.146 ( -0.063 -0.000 -17.313) 17.314 13.486 ( -3.421 0.000 3.186) 4.675 13.851 ( 0.975 -0.000 1.229) 1.569 14.182 ( 14.405 -0.000 -8.013) 16.483 14.340 ( 19.821 -0.000 -5.639) 20.607 14.707 ( 9.919 -0.000 12.483) 15.944 14.956 ( -21.817 0.000 -18.669) 28.714 15.092 ( 3.478 -0.000 -1.473) 3.776 15.306 ( -22.130 0.000 2.844) 22.312 16.109 ( -1.890 0.000 -6.874) 7.130 16.713 ( 20.177 -0.000 10.193) 22.605 16.801 ( -4.233 0.000 -8.194) 9.223 16.993 ( 25.192 -0.000 5.028) 25.689 17.357 ( 28.054 -0.000 -11.231) 30.219 17.488 ( -14.433 0.000 2.389) 14.629 17.697 ( 7.349 -0.000 2.661) 7.816 17.793 ( -4.577 0.000 4.703) 6.563 18.292 ( -15.744 0.000 0.476) 15.751 18.942 ( -22.625 0.000 -6.376) 23.506 19.149 ( 25.358 -0.000 -10.865) 27.588 19.247 ( 2.750 -0.000 6.024) 6.622 19.357 ( 3.441 -0.000 2.198) 4.083 20.125 ( 24.735 -0.000 15.474) 29.176 20.333 ( -24.131 0.000 -21.641) 32.414 20.626 ( -7.269 0.000 -2.749) 7.772 21.045 ( -1.460 0.000 -0.352) 1.502 21.497 ( -30.893 0.000 10.396) 32.595 21.889 ( 8.608 -0.000 1.641) 8.763 21.991 ( -1.554 0.000 -8.468) 8.610 22.030 ( 0.693 -0.000 -0.812) 1.067 22.121 ( 6.663 -0.000 -0.564) 6.686 22.231 ( 6.588 -0.000 2.905) 7.200 22.524 ( 11.083 -0.000 -8.333) 13.866 22.597 ( 5.807 -0.000 -0.465) 5.825 22.688 ( 7.683 -0.000 -0.078) 7.684 22.730 ( -3.759 0.000 1.579) 4.077 22.819 ( -15.113 0.000 1.145) 15.156 22.990 ( -15.584 0.000 -2.377) 15.764 23.045 ( -5.190 0.000 -0.393) 5.205 24.144 ( 2.309 -0.000 -7.817) 8.150 24.233 ( 3.539 -0.000 -6.094) 7.047 24.388 ( 0.549 0.000 5.309) 5.337 24.480 ( 2.603 -0.000 4.964) 5.605 25.355 ( 28.182 -0.000 6.313) 28.880 25.798 ( 8.645 -0.000 -1.013) 8.704 25.993 ( 0.730 -0.000 3.768) 3.838 26.079 ( -3.187 0.000 -0.276) 3.199 26.200 ( -5.508 0.000 0.201) 5.511 26.356 ( -16.798 0.000 -0.776) 16.816 26.494 ( -1.456 0.000 -4.161) 4.408 26.498 ( 2.085 -0.000 -4.262) 4.744 27.222 ( 4.923 -0.000 -0.685) 4.970 27.369 ( 2.566 -0.000 1.019) 2.761 27.373 ( -6.509 0.000 -3.634) 7.454 27.442 ( 4.018 -0.000 2.288) 4.623 27.479 ( -1.048 0.000 3.164) 3.333 27.640 ( -5.141 0.000 2.903) 5.905 27.912 ( 0.806 -0.000 -1.324) 1.550 28.008 ( -1.739 0.000 -1.817) 2.515 29.256 ( 0.537 -0.000 -0.835) 0.993 29.362 ( 1.149 -0.000 -2.120) 2.411 29.456 ( -1.019 0.000 -1.140) 1.529 29.463 ( -1.086 0.000 1.148) 1.580 31.797 ( 3.317 -0.000 0.951) 3.450 31.832 ( -1.931 0.000 0.398) 1.972 32.051 ( 4.340 -0.000 -0.869) 4.426 32.225 ( -4.348 0.000 -2.280) 4.910 ======================= Grid point 52 (43/84) ======================= q-point: (-0.10 0.23 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.250 ( -20.371 -48.531 29.205) 60.193 3.341 ( -19.632 -46.004 27.561) 57.109 5.134 ( 3.621 3.833 -6.376) 8.274 5.323 ( -6.593 -25.898 12.814) 29.637 5.437 ( -12.472 -30.324 19.185) 37.990 5.618 ( -7.793 -22.164 5.519) 24.134 5.823 ( 31.274 0.351 7.927) 32.265 6.199 ( 0.207 19.687 5.775) 20.518 6.673 ( -6.570 12.283 -0.439) 13.937 6.853 ( 11.101 -4.606 21.776) 24.872 7.483 ( -12.658 13.228 5.997) 19.266 7.734 ( -2.867 0.285 -0.705) 2.966 8.069 ( -20.936 -1.343 9.798) 23.154 8.113 ( -32.673 2.779 3.890) 33.020 8.431 ( 2.266 3.814 -8.696) 9.763 8.607 ( -10.545 5.959 15.040) 19.310 8.870 ( -14.254 12.193 11.760) 22.139 9.221 ( 8.367 35.212 -2.933) 36.311 9.494 ( 5.196 -5.298 13.370) 15.291 9.546 ( 1.899 -2.828 6.097) 6.984 10.165 ( 1.122 2.066 -1.415) 2.744 10.437 ( 0.356 18.556 -0.332) 18.562 10.562 ( -2.846 -15.903 3.654) 16.564 10.895 ( 4.606 -25.034 -3.970) 25.762 11.422 ( 11.089 4.632 3.964) 12.654 12.186 ( 15.479 14.435 1.504) 21.218 12.311 ( 33.231 -2.654 -10.205) 34.864 12.597 ( -0.225 18.116 -6.697) 19.316 12.755 ( 31.336 6.853 -12.776) 34.527 13.044 ( -2.463 -12.685 -7.159) 14.773 13.497 ( -1.396 7.422 -4.830) 8.964 13.693 ( -5.996 -5.737 -13.436) 15.792 13.873 ( 0.464 -0.324 -4.472) 4.508 14.255 ( -7.541 -6.061 1.990) 9.877 14.538 ( -8.633 1.292 12.507) 15.252 14.994 ( -0.244 -4.284 -3.668) 5.645 15.359 ( 13.970 0.750 -17.321) 22.265 15.846 ( 21.856 -2.914 7.434) 23.269 16.325 ( -7.245 -0.952 8.600) 11.285 16.438 ( -2.556 -5.264 -1.299) 5.994 16.482 ( -11.563 2.859 1.754) 12.040 16.531 ( -6.523 4.276 -0.908) 7.852 16.918 ( -24.411 -1.611 -10.338) 26.559 17.655 ( -1.872 -2.863 1.277) 3.651 17.699 ( 3.648 -0.893 2.061) 4.284 17.841 ( -4.790 -1.963 13.747) 14.689 18.634 ( 14.394 -0.976 -3.969) 14.963 18.808 ( -12.231 -1.357 3.404) 12.768 19.062 ( 8.731 11.802 -1.134) 14.725 19.173 ( -12.579 -1.804 3.965) 13.312 19.227 ( -0.127 0.992 3.784) 3.914 19.857 ( -4.804 -2.398 3.508) 6.414 20.706 ( 4.570 7.036 -5.859) 10.233 20.796 ( 5.115 4.334 -3.365) 7.501 20.900 ( 11.788 -1.540 -11.079) 16.251 21.514 ( -9.948 2.023 -6.843) 12.243 21.711 ( -15.654 1.922 1.036) 15.805 22.068 ( 1.003 -1.379 -9.261) 9.417 22.107 ( 7.736 -1.315 -4.178) 8.890 22.158 ( 0.807 -1.172 -0.919) 1.694 22.265 ( 2.073 -2.042 -2.543) 3.864 22.504 ( 4.843 0.566 2.301) 5.392 22.534 ( 0.869 -1.815 0.871) 2.193 22.606 ( 7.226 -2.341 3.714) 8.456 22.847 ( 3.490 -2.491 0.813) 4.364 23.052 ( 7.898 0.328 0.034) 7.905 23.088 ( 4.471 0.675 -0.274) 4.530 23.369 ( 11.004 -1.615 -1.104) 11.176 24.044 ( -11.169 -0.944 -11.194) 15.841 24.154 ( -4.751 -1.148 -7.043) 8.573 24.432 ( 0.735 -1.270 5.297) 5.497 24.460 ( -0.449 -1.434 7.260) 7.414 24.801 ( -23.888 -0.073 11.552) 26.535 25.703 ( -5.839 -1.814 -1.226) 6.235 25.888 ( -0.616 3.422 3.071) 4.639 26.074 ( 1.673 2.541 1.155) 3.254 26.251 ( 1.526 0.822 0.869) 1.939 26.429 ( -0.810 1.542 -4.101) 4.456 26.551 ( 6.436 -0.226 -3.181) 7.182 26.614 ( 2.649 -1.001 -3.898) 4.818 27.032 ( -3.688 4.141 0.102) 5.546 27.326 ( -1.471 0.449 0.771) 1.720 27.385 ( -1.995 -0.192 3.407) 3.953 27.430 ( 0.540 -3.559 -0.787) 3.684 27.541 ( 0.850 -2.064 3.424) 4.087 27.742 ( 3.064 -0.592 1.559) 3.489 27.876 ( -0.748 1.677 -0.503) 1.904 27.967 ( 0.038 2.463 -1.825) 3.066 29.257 ( -1.045 -0.357 -1.321) 1.722 29.348 ( 0.403 0.958 -1.967) 2.224 29.407 ( -0.276 0.382 0.736) 0.874 29.536 ( 1.391 -0.778 -0.410) 1.646 31.725 ( -1.521 0.651 1.815) 2.456 31.922 ( 1.308 -2.334 -0.270) 2.690 31.976 ( -2.384 0.175 -0.624) 2.471 32.308 ( 2.615 -0.432 -2.831) 3.878 ======================= Grid point 53 (44/84) ======================= q-point: (-0.12 0.38 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.733 ( -0.000 -38.718 34.618) 51.937 3.744 ( -0.000 -39.761 24.051) 46.470 5.022 ( 0.000 3.772 -4.263) 5.692 5.457 ( -0.000 -1.779 4.244) 4.601 5.545 ( 0.000 -0.455 -1.871) 1.926 5.961 ( -0.000 -58.253 26.131) 63.845 6.164 ( 0.000 2.942 -5.844) 6.543 6.560 ( -0.000 9.892 30.589) 32.149 6.840 ( -0.000 6.747 22.670) 23.653 7.262 ( -0.000 -9.594 1.098) 9.656 7.548 ( -0.000 16.902 15.394) 22.861 7.882 ( -0.000 5.657 15.905) 16.881 8.126 ( -0.000 1.467 21.044) 21.095 8.137 ( -0.000 9.215 29.969) 31.354 8.240 ( 0.000 -4.740 -8.391) 9.637 8.505 ( 0.000 0.537 -0.415) 0.678 9.030 ( 0.000 17.412 2.144) 17.543 9.601 ( -0.000 3.878 3.838) 5.456 9.634 ( -0.000 9.770 40.474) 41.637 9.930 ( -0.000 3.778 20.888) 21.227 10.111 ( 0.000 4.461 -5.482) 7.068 10.453 ( 0.000 14.671 0.484) 14.679 10.615 ( -0.000 -17.514 4.204) 18.012 10.827 ( -0.000 -25.071 -8.338) 26.421 11.650 ( 0.000 6.039 1.764) 6.291 12.119 ( 0.000 -7.164 -30.743) 31.567 12.296 ( 0.000 -3.072 -22.404) 22.614 12.340 ( 0.000 7.408 -10.930) 13.204 12.646 ( 0.000 5.411 -26.606) 27.151 12.799 ( 0.000 22.110 -0.217) 22.111 13.217 ( 0.000 18.389 -13.992) 23.107 13.513 ( -0.000 -8.529 -1.243) 8.619 13.852 ( -0.000 -1.274 -0.259) 1.300 14.201 ( -0.000 -3.711 -1.204) 3.901 14.732 ( 0.000 -5.764 -23.740) 24.430 14.970 ( -0.000 1.684 23.863) 23.923 15.086 ( 0.000 -5.480 -11.218) 12.485 16.173 ( -0.000 -2.631 -0.899) 2.780 16.254 ( 0.000 -2.634 -9.567) 9.923 16.368 ( 0.000 -0.732 -10.204) 10.230 16.379 ( -0.000 0.617 7.445) 7.470 16.625 ( -0.000 -0.534 22.434) 22.440 16.681 ( -0.000 1.018 3.440) 3.588 17.667 ( -0.000 -1.767 1.387) 2.246 17.779 ( -0.000 -1.256 3.042) 3.292 18.398 ( -0.000 -2.834 33.037) 33.158 18.641 ( 0.000 -0.259 -8.243) 8.247 18.680 ( -0.000 -4.610 2.411) 5.203 19.069 ( -0.000 0.868 2.982) 3.105 19.142 ( 0.000 9.770 -2.134) 10.001 19.332 ( -0.000 0.201 6.756) 6.759 19.859 ( -0.000 -0.033 1.241) 1.242 20.685 ( 0.000 6.264 -3.663) 7.257 20.724 ( 0.000 -0.797 -22.979) 22.993 20.838 ( 0.000 3.718 -1.357) 3.957 21.095 ( 0.000 3.429 -16.788) 17.134 21.577 ( -0.000 0.195 0.816) 0.839 21.830 ( 0.000 -2.127 -13.786) 13.949 21.960 ( 0.000 0.941 -8.300) 8.353 22.155 ( 0.000 -0.955 -0.739) 1.207 22.174 ( -0.000 -4.952 -0.723) 5.004 22.411 ( 0.000 -2.332 -4.505) 5.072 22.511 ( 0.000 1.990 1.146) 2.297 22.846 ( 0.000 -2.097 -1.955) 2.867 23.095 ( -0.000 0.616 1.639) 1.751 23.128 ( 0.000 0.503 -0.411) 0.649 23.275 ( -0.000 -1.359 10.159) 10.250 23.466 ( 0.000 0.667 -1.257) 1.423 23.631 ( 0.000 -0.868 -7.089) 7.142 23.942 ( 0.000 -3.153 -6.844) 7.535 24.567 ( -0.000 -0.578 5.691) 5.720 24.609 ( -0.000 -2.378 7.141) 7.526 24.834 ( -0.000 0.159 14.716) 14.717 25.592 ( 0.000 -1.167 -3.386) 3.582 25.957 ( -0.000 4.287 3.885) 5.786 26.107 ( 0.000 1.321 -0.040) 1.322 26.297 ( -0.000 0.855 2.037) 2.210 26.305 ( 0.000 1.456 -6.859) 7.011 26.470 ( 0.000 -2.142 -7.792) 8.081 26.577 ( 0.000 0.426 -4.038) 4.060 26.998 ( 0.000 3.138 0.050) 3.139 27.330 ( -0.000 1.194 0.826) 1.452 27.427 ( -0.000 -4.577 -0.050) 4.577 27.463 ( -0.000 -0.875 5.432) 5.502 27.631 ( -0.000 -2.171 4.266) 4.787 27.813 ( -0.000 0.047 2.905) 2.905 27.877 ( 0.000 1.515 0.491) 1.592 27.925 ( 0.000 2.270 -1.892) 2.955 29.213 ( 0.000 0.287 -1.751) 1.774 29.304 ( 0.000 -0.127 -2.678) 2.681 29.418 ( 0.000 1.155 0.588) 1.296 29.535 ( 0.000 -1.371 -0.991) 1.691 31.771 ( -0.000 0.490 3.983) 4.013 31.926 ( -0.000 -1.921 -0.481) 1.980 31.938 ( 0.000 0.184 -0.810) 0.830 32.249 ( 0.000 -0.449 -5.370) 5.389 ======================= Grid point 54 (45/84) ======================= q-point: (-0.12 0.38 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.285 ( 27.013 -0.000 13.122) 30.032 4.319 ( 39.414 -0.000 34.459) 52.353 4.980 ( -6.598 0.000 11.128) 12.937 5.239 ( -1.077 0.000 -5.704) 5.804 5.258 ( 1.144 -0.000 1.456) 1.851 5.456 ( -2.127 0.000 4.091) 4.611 6.185 ( 26.760 -0.000 6.317) 27.496 6.398 ( -14.595 0.000 22.613) 26.914 6.903 ( -7.904 0.000 -4.353) 9.024 7.700 ( -19.594 0.000 -13.037) 23.535 7.847 ( 17.088 -0.000 41.622) 44.993 7.891 ( 20.146 -0.000 5.760) 20.953 7.931 ( -11.565 0.000 -17.050) 20.602 8.439 ( 1.458 0.000 36.351) 36.380 9.179 ( -21.239 0.000 6.937) 22.343 9.253 ( -15.690 0.000 -5.246) 16.543 9.730 ( 23.167 -0.000 5.957) 23.921 9.731 ( -11.184 0.000 13.004) 17.151 9.743 ( -18.589 0.000 -3.980) 19.011 10.137 ( -9.554 0.000 6.581) 11.601 10.313 ( 34.920 -0.000 11.022) 36.618 10.510 ( 0.904 -0.000 -3.837) 3.942 10.517 ( -5.656 0.000 4.301) 7.106 10.864 ( -2.587 0.000 1.245) 2.871 11.187 ( 14.271 -0.000 10.273) 17.584 11.241 ( 16.062 -0.000 23.997) 28.877 11.458 ( -18.153 0.000 17.239) 25.035 11.874 ( -11.831 0.000 -0.837) 11.860 11.883 ( -11.426 0.000 6.215) 13.007 12.680 ( -0.011 -0.000 -28.402) 28.402 13.512 ( -0.484 0.000 4.580) 4.605 13.800 ( -24.461 0.000 -36.294) 43.768 13.910 ( 1.277 -0.000 2.737) 3.020 14.328 ( 15.793 -0.000 -8.832) 18.094 14.649 ( 10.805 -0.000 -6.349) 12.532 14.915 ( -5.722 0.000 -11.102) 12.490 15.011 ( -11.137 0.000 4.470) 12.000 15.274 ( 16.822 -0.000 13.762) 21.734 15.921 ( 0.726 -0.000 -10.273) 10.298 16.505 ( -2.906 0.000 -9.924) 10.341 17.232 ( 12.840 -0.000 5.247) 13.871 17.286 ( -13.325 0.000 6.955) 15.031 17.450 ( -3.974 0.000 -3.867) 5.545 17.450 ( 3.821 -0.000 -4.295) 5.748 17.835 ( 18.201 -0.000 -6.419) 19.300 18.009 ( 11.493 -0.000 3.344) 11.969 18.064 ( -11.407 0.000 -0.652) 11.425 18.196 ( -18.440 0.000 -6.075) 19.415 19.274 ( 16.868 -0.000 -15.248) 22.738 19.297 ( -11.728 0.000 -8.967) 14.763 19.423 ( 1.630 -0.000 6.164) 6.376 19.657 ( -2.968 0.000 -2.826) 4.098 20.473 ( -5.583 0.000 -0.277) 5.590 20.847 ( 6.947 -0.000 3.477) 7.768 21.166 ( 15.646 -0.000 2.991) 15.930 21.179 ( -28.225 0.000 14.166) 31.580 21.819 ( 7.546 -0.000 -2.461) 7.938 21.882 ( -3.033 0.000 -4.957) 5.811 22.023 ( -1.982 0.000 -1.455) 2.459 22.156 ( 2.412 -0.000 -2.376) 3.386 22.538 ( -14.074 0.000 -0.654) 14.090 22.553 ( 2.930 -0.000 -2.468) 3.831 22.568 ( -13.211 0.000 -1.783) 13.331 22.573 ( 14.457 -0.000 3.807) 14.950 22.753 ( 3.422 -0.000 0.124) 3.424 22.786 ( 11.819 -0.000 -3.913) 12.450 22.852 ( 7.463 -0.000 -0.001) 7.463 22.895 ( -7.613 0.000 -1.833) 7.831 24.028 ( 0.960 -0.000 -6.682) 6.751 24.132 ( -1.117 0.000 -6.926) 7.015 24.526 ( 1.835 -0.000 5.730) 6.017 24.576 ( -0.560 0.000 3.861) 3.902 25.894 ( -1.649 0.000 -1.353) 2.133 25.905 ( 10.208 -0.000 4.375) 11.106 26.001 ( -12.379 0.000 2.374) 12.604 26.025 ( -1.264 0.000 -1.323) 1.830 26.086 ( -0.687 0.000 0.302) 0.750 26.138 ( 2.850 -0.000 4.247) 5.115 26.355 ( -1.760 0.000 -5.859) 6.117 26.424 ( 2.336 -0.000 -7.441) 7.799 27.168 ( -6.725 0.000 -2.108) 7.047 27.315 ( 5.405 -0.000 -1.426) 5.590 27.451 ( 0.463 -0.000 1.869) 1.925 27.517 ( 1.502 -0.000 0.656) 1.640 27.553 ( -1.046 0.000 5.717) 5.812 27.657 ( 0.132 0.000 3.795) 3.798 27.902 ( 0.298 -0.000 0.142) 0.330 27.926 ( -2.415 0.000 -1.598) 2.895 29.249 ( 0.804 -0.000 -1.233) 1.472 29.299 ( -1.276 0.000 -3.063) 3.318 29.412 ( -0.606 0.000 -1.413) 1.537 29.499 ( 1.217 -0.000 1.273) 1.761 31.812 ( -1.632 0.000 1.552) 2.252 31.876 ( 2.618 -0.000 0.618) 2.690 32.086 ( -3.911 0.000 -2.657) 4.728 32.106 ( 4.030 -0.000 -2.455) 4.719 ======================= Grid point 55 (46/84) ======================= q-point: (-0.12 -0.37 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 100 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.629 ( 0.000 -4.444 0.000) 4.444 4.937 ( 0.000 8.100 0.000) 8.100 5.224 ( -0.000 -0.768 0.000) 0.768 5.344 ( 0.000 0.658 0.000) 0.658 5.463 ( 0.000 -9.019 0.000) 9.019 5.876 ( 0.000 10.295 0.000) 10.295 6.477 ( 0.000 -9.247 0.000) 9.247 6.573 ( 0.000 -5.142 0.000) 5.142 6.642 ( -0.000 -9.946 -0.000) 9.946 6.933 ( 0.000 -18.704 0.000) 18.704 7.361 ( 0.000 21.214 0.000) 21.214 8.362 ( -0.000 37.710 0.000) 37.710 8.506 ( 0.000 -30.934 0.000) 30.934 9.345 ( -0.000 -15.088 0.000) 15.088 9.671 ( 0.000 22.484 0.000) 22.484 9.713 ( 0.000 -4.630 0.000) 4.630 9.966 ( 0.000 6.606 0.000) 6.606 10.005 ( -0.000 7.478 -0.000) 7.478 10.180 ( 0.000 2.521 0.000) 2.521 10.297 ( 0.000 12.039 0.000) 12.039 10.433 ( 0.000 -3.091 0.000) 3.091 10.587 ( -0.000 -2.720 -0.000) 2.720 10.773 ( -0.000 -13.627 0.000) 13.627 10.914 ( 0.000 9.031 0.000) 9.031 11.025 ( 0.000 -14.906 0.000) 14.906 11.235 ( 0.000 0.066 -0.000) 0.066 11.246 ( -0.000 7.097 0.000) 7.097 11.948 ( 0.000 -7.091 0.000) 7.091 12.375 ( 0.000 -0.397 0.000) 0.397 12.393 ( 0.000 15.691 0.000) 15.691 13.065 ( 0.000 -24.370 0.000) 24.370 13.876 ( -0.000 1.942 -0.000) 1.942 13.913 ( 0.000 -6.759 0.000) 6.759 14.124 ( -0.000 8.323 0.000) 8.323 14.138 ( 0.000 1.420 -0.000) 1.420 14.280 ( 0.000 6.267 0.000) 6.267 15.338 ( 0.000 -7.077 0.000) 7.077 15.659 ( 0.000 5.602 0.000) 5.602 15.730 ( 0.000 -7.142 0.000) 7.142 16.178 ( -0.000 10.550 0.000) 10.550 17.032 ( 0.000 -1.160 0.000) 1.160 17.064 ( 0.000 -0.344 0.000) 0.344 17.397 ( 0.000 -0.577 0.000) 0.577 17.439 ( 0.000 1.299 0.000) 1.299 17.854 ( 0.000 -3.146 0.000) 3.146 18.014 ( -0.000 3.190 0.000) 3.190 18.130 ( 0.000 -1.492 0.000) 1.492 18.222 ( -0.000 2.126 0.000) 2.126 18.945 ( -0.000 -2.046 0.000) 2.046 19.018 ( 0.000 1.039 0.000) 1.039 19.640 ( 0.000 -1.518 0.000) 1.518 19.656 ( -0.000 -0.879 0.000) 0.879 20.538 ( 0.000 -7.140 0.000) 7.140 20.840 ( 0.000 4.317 0.000) 4.317 21.085 ( 0.000 -2.588 0.000) 2.588 21.251 ( 0.000 3.608 0.000) 3.608 21.864 ( 0.000 -1.612 0.000) 1.612 21.982 ( 0.000 3.396 0.000) 3.396 22.178 ( 0.000 -0.332 0.000) 0.332 22.229 ( -0.000 -3.373 -0.000) 3.373 22.251 ( 0.000 2.851 0.000) 2.851 22.326 ( -0.000 0.390 0.000) 0.390 22.653 ( -0.000 -0.370 0.000) 0.370 22.683 ( 0.000 0.557 0.000) 0.557 22.730 ( -0.000 -1.524 0.000) 1.524 22.778 ( -0.000 0.074 -0.000) 0.074 22.782 ( 0.000 0.935 0.000) 0.935 22.830 ( 0.000 2.307 0.000) 2.307 23.884 ( 0.000 -1.833 0.000) 1.833 23.951 ( 0.000 0.924 0.000) 0.924 24.677 ( -0.000 -0.375 0.000) 0.375 24.684 ( 0.000 -0.079 0.000) 0.079 25.875 ( -0.000 -0.814 0.000) 0.814 25.942 ( 0.000 2.505 0.000) 2.505 26.024 ( 0.000 -0.363 0.000) 0.363 26.051 ( 0.000 0.605 0.000) 0.605 26.094 ( 0.000 -3.393 0.000) 3.393 26.198 ( -0.000 -1.244 -0.000) 1.244 26.200 ( 0.000 1.679 0.000) 1.679 26.257 ( 0.000 0.916 0.000) 0.916 27.142 ( 0.000 -1.824 0.000) 1.824 27.244 ( 0.000 2.211 0.000) 2.211 27.517 ( 0.000 -0.356 0.000) 0.356 27.530 ( -0.000 0.190 0.000) 0.190 27.688 ( 0.000 -0.351 0.000) 0.351 27.711 ( 0.000 0.485 0.000) 0.485 27.900 ( 0.000 -1.522 0.000) 1.522 27.970 ( 0.000 1.260 0.000) 1.260 29.211 ( -0.000 0.215 0.000) 0.215 29.211 ( 0.000 0.347 -0.000) 0.347 29.402 ( -0.000 -2.386 0.000) 2.386 29.506 ( 0.000 1.815 0.000) 1.815 31.876 ( 0.000 -0.478 0.000) 0.478 31.900 ( 0.000 0.479 0.000) 0.479 32.003 ( 0.000 -0.439 0.000) 0.439 32.026 ( 0.000 0.444 0.000) 0.444 ======================= Grid point 57 (47/84) ======================= q-point: (-0.12 -0.37 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.334 ( 0.000 3.220 -8.474) 9.065 4.521 ( -0.000 -20.143 -11.409) 23.149 5.276 ( 0.000 -0.316 -6.701) 6.709 5.559 ( 0.000 -2.978 -3.800) 4.828 5.585 ( 0.000 2.557 -7.733) 8.145 5.872 ( 0.000 31.463 -32.606) 45.311 5.983 ( -0.000 -13.582 6.769) 15.175 6.778 ( -0.000 -5.736 6.569) 8.721 7.165 ( -0.000 6.862 12.927) 14.635 7.327 ( 0.000 5.364 -5.477) 7.666 7.503 ( -0.000 23.821 16.295) 28.861 8.124 ( -0.000 2.198 4.346) 4.870 8.379 ( -0.000 -13.701 -6.998) 15.385 8.910 ( -0.000 -21.288 7.084) 22.435 9.358 ( -0.000 11.830 32.014) 34.130 9.486 ( 0.000 -3.807 -27.150) 27.416 9.679 ( -0.000 5.379 20.399) 21.097 9.845 ( 0.000 -3.237 -3.012) 4.421 10.270 ( 0.000 8.917 -34.966) 36.085 10.432 ( -0.000 -8.792 -4.938) 10.083 10.561 ( -0.000 0.783 3.603) 3.687 10.602 ( 0.000 -8.552 -32.266) 33.380 10.769 ( -0.000 2.508 16.327) 16.519 10.809 ( 0.000 -7.023 -13.320) 15.058 11.054 ( -0.000 -12.236 -7.782) 14.501 11.128 ( -0.000 -6.222 -1.579) 6.419 11.592 ( -0.000 7.830 23.706) 24.965 11.820 ( 0.000 -0.479 -2.024) 2.080 11.826 ( -0.000 -0.783 34.371) 34.380 11.931 ( -0.000 5.578 4.663) 7.270 13.108 ( -0.000 22.881 17.372) 28.729 13.800 ( 0.000 4.030 -7.642) 8.639 13.896 ( 0.000 0.530 -0.031) 0.531 14.029 ( -0.000 -4.042 4.660) 6.169 14.393 ( -0.000 -11.406 -5.208) 12.539 14.673 ( 0.000 -2.195 -10.458) 10.686 15.811 ( 0.000 0.121 -14.635) 14.635 15.816 ( -0.000 0.035 14.860) 14.860 15.834 ( 0.000 8.406 -2.619) 8.805 16.330 ( -0.000 -11.327 1.128) 11.383 16.635 ( -0.000 1.499 2.889) 3.255 16.760 ( 0.000 -0.391 -4.706) 4.722 17.371 ( 0.000 -1.325 -6.726) 6.856 17.493 ( -0.000 0.861 7.546) 7.595 18.042 ( 0.000 1.168 -11.542) 11.601 18.168 ( -0.000 -0.767 8.843) 8.876 18.739 ( 0.000 7.129 -5.899) 9.254 19.048 ( -0.000 -4.791 7.946) 9.278 19.392 ( 0.000 0.482 -7.561) 7.576 19.454 ( -0.000 -0.689 6.770) 6.805 19.776 ( 0.000 1.816 -30.336) 30.390 19.846 ( -0.000 2.212 8.425) 8.711 19.899 ( -0.000 -1.588 29.667) 29.709 19.974 ( 0.000 -1.662 -6.199) 6.417 20.642 ( -0.000 6.396 5.176) 8.228 21.004 ( -0.000 -5.713 0.462) 5.732 21.362 ( -0.000 1.713 1.429) 2.231 21.474 ( 0.000 -1.398 -2.552) 2.910 22.081 ( 0.000 2.321 -1.087) 2.563 22.126 ( -0.000 1.081 7.709) 7.785 22.177 ( 0.000 -0.932 -2.574) 2.738 22.185 ( 0.000 -1.069 -8.142) 8.212 22.633 ( -0.000 0.329 6.117) 6.125 22.728 ( 0.000 -3.052 -5.497) 6.288 23.112 ( -0.000 -0.601 0.303) 0.673 23.125 ( -0.000 -0.152 0.232) 0.278 23.433 ( -0.000 -0.119 0.286) 0.310 23.505 ( 0.000 0.676 -0.412) 0.791 23.639 ( -0.000 0.920 6.640) 6.703 23.677 ( 0.000 -0.587 -8.974) 8.993 24.718 ( 0.000 0.501 -0.231) 0.552 24.793 ( 0.000 -0.490 -1.541) 1.617 25.275 ( -0.000 -1.869 0.348) 1.901 25.386 ( 0.000 2.492 -0.767) 2.607 26.026 ( -0.000 0.709 1.471) 1.633 26.097 ( -0.000 -0.021 1.670) 1.670 26.130 ( -0.000 0.284 3.418) 3.430 26.233 ( 0.000 -0.793 -3.737) 3.820 26.374 ( -0.000 0.533 3.016) 3.063 26.451 ( 0.000 -0.289 -2.519) 2.535 27.005 ( -0.000 -0.638 1.410) 1.547 27.340 ( -0.000 0.213 0.822) 0.850 27.426 ( 0.000 0.151 -2.221) 2.227 27.609 ( 0.000 -1.511 -1.702) 2.276 27.724 ( 0.000 1.741 -0.243) 1.758 27.857 ( -0.000 0.686 2.106) 2.215 27.895 ( -0.000 -0.149 0.697) 0.713 27.945 ( -0.000 -0.944 -0.511) 1.074 29.179 ( -0.000 -0.451 0.916) 1.021 29.223 ( 0.000 0.089 -0.727) 0.732 29.408 ( 0.000 1.784 0.739) 1.931 29.525 ( 0.000 -1.407 -1.122) 1.800 31.901 ( 0.000 0.527 -0.583) 0.786 31.930 ( -0.000 -0.515 -0.257) 0.576 31.984 ( -0.000 0.307 6.526) 6.534 32.000 ( 0.000 -0.309 -6.514) 6.521 ======================= Grid point 58 (48/84) ======================= q-point: (-0.12 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.730 ( 0.000 -0.000 -68.302) 68.302 2.769 ( 0.000 -0.000 -61.135) 61.135 4.239 ( 0.000 -0.000 -66.361) 66.361 5.234 ( -0.000 0.000 3.171) 3.171 5.289 ( -0.000 0.000 6.269) 6.269 5.545 ( 0.000 -0.000 -1.904) 1.904 6.280 ( -0.000 0.000 0.890) 0.890 6.751 ( 0.000 -0.000 -16.931) 16.931 6.935 ( -0.000 0.000 0.204) 0.204 7.143 ( 0.000 -0.000 -17.909) 17.909 7.497 ( 0.000 -0.000 -11.164) 11.164 8.055 ( -0.000 0.000 22.070) 22.070 8.250 ( 0.000 -0.000 -27.998) 27.998 8.344 ( 0.000 -0.000 -0.591) 0.591 8.483 ( 0.000 -0.000 -45.880) 45.880 8.520 ( 0.000 -0.000 -2.882) 2.882 9.476 ( 0.000 -0.000 -13.827) 13.827 9.527 ( 0.000 -0.000 -32.901) 32.901 9.830 ( -0.000 0.000 2.007) 2.007 9.943 ( 0.000 -0.000 -19.868) 19.868 10.117 ( -0.000 0.000 10.558) 10.558 10.357 ( -0.000 0.000 5.230) 5.230 10.562 ( -0.000 0.000 3.177) 3.177 11.140 ( -0.000 0.000 0.878) 0.878 11.739 ( -0.000 0.000 29.982) 29.982 11.812 ( 0.000 -0.000 -6.934) 6.934 12.129 ( -0.000 0.000 19.112) 19.112 12.358 ( -0.000 0.000 21.517) 21.517 12.645 ( -0.000 0.000 28.484) 28.484 12.831 ( -0.000 0.000 4.708) 4.708 13.623 ( -0.000 0.000 1.066) 1.066 13.813 ( 0.000 -0.000 -1.705) 1.705 13.860 ( 0.000 -0.000 -11.356) 11.356 14.067 ( 0.000 -0.000 -4.595) 4.595 14.668 ( -0.000 0.000 48.195) 48.195 14.902 ( -0.000 0.000 5.589) 5.589 15.007 ( 0.000 -0.000 -21.698) 21.698 15.883 ( -0.000 0.000 7.392) 7.392 16.351 ( -0.000 0.000 8.859) 8.859 16.398 ( 0.000 -0.000 -8.855) 8.855 16.430 ( 0.000 -0.000 -6.794) 6.794 16.613 ( 0.000 -0.000 -21.594) 21.594 16.736 ( -0.000 0.000 9.538) 9.538 17.618 ( 0.000 -0.000 -6.381) 6.381 17.754 ( -0.000 0.000 1.120) 1.120 18.342 ( 0.000 -0.000 -34.713) 34.713 18.541 ( -0.000 0.000 0.755) 0.755 18.621 ( -0.000 0.000 9.389) 9.389 19.069 ( 0.000 -0.000 -3.580) 3.580 19.301 ( 0.000 -0.000 -0.960) 0.960 19.415 ( 0.000 -0.000 -0.303) 0.303 19.855 ( 0.000 -0.000 -5.639) 5.639 20.633 ( -0.000 0.000 5.805) 5.805 20.704 ( -0.000 0.000 22.484) 22.484 21.095 ( -0.000 0.000 0.210) 0.210 21.207 ( -0.000 0.000 20.938) 20.938 21.582 ( 0.000 -0.000 -1.586) 1.586 21.764 ( -0.000 0.000 15.426) 15.426 21.985 ( -0.000 0.000 6.161) 6.161 22.015 ( 0.000 -0.000 -0.502) 0.502 22.139 ( -0.000 0.000 0.478) 0.478 22.351 ( -0.000 0.000 3.974) 3.974 22.579 ( 0.000 -0.000 -2.814) 2.814 22.828 ( -0.000 0.000 1.811) 1.811 23.129 ( 0.000 -0.000 -1.647) 1.647 23.138 ( -0.000 0.000 0.590) 0.590 23.249 ( 0.000 -0.000 -10.572) 10.572 23.499 ( -0.000 0.000 0.349) 0.349 23.586 ( -0.000 0.000 8.327) 8.327 23.850 ( -0.000 0.000 5.870) 5.870 24.539 ( 0.000 -0.000 -6.675) 6.675 24.565 ( 0.000 -0.000 -6.937) 6.937 24.834 ( 0.000 -0.000 -15.040) 15.040 25.547 ( -0.000 0.000 2.903) 2.903 26.079 ( 0.000 -0.000 -4.464) 4.464 26.134 ( -0.000 0.000 2.433) 2.433 26.325 ( 0.000 -0.000 -2.842) 2.842 26.340 ( -0.000 0.000 7.197) 7.197 26.403 ( -0.000 0.000 7.175) 7.175 26.585 ( -0.000 0.000 6.063) 6.063 27.086 ( -0.000 0.000 1.615) 1.615 27.318 ( 0.000 -0.000 -1.762) 1.762 27.354 ( 0.000 -0.000 -1.021) 1.021 27.447 ( 0.000 -0.000 -5.340) 5.340 27.572 ( 0.000 -0.000 -4.601) 4.601 27.807 ( 0.000 -0.000 -4.516) 4.516 27.907 ( 0.000 -0.000 -0.041) 0.041 27.982 ( -0.000 0.000 3.044) 3.044 29.226 ( -0.000 0.000 1.020) 1.020 29.288 ( -0.000 0.000 2.336) 2.336 29.450 ( -0.000 0.000 2.000) 2.000 29.501 ( 0.000 -0.000 -0.337) 0.337 31.784 ( 0.000 -0.000 -3.946) 3.946 31.876 ( 0.000 -0.000 -0.215) 0.215 31.943 ( -0.000 0.000 0.611) 0.611 32.236 ( -0.000 0.000 5.335) 5.335 ======================= Grid point 59 (49/84) ======================= q-point: (-0.12 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.570 ( -12.393 -6.021 -14.550) 20.039 4.570 ( 12.393 6.021 -14.550) 20.039 4.799 ( -15.209 -5.027 -14.398) 21.538 4.799 ( 15.209 5.027 -14.398) 21.538 5.485 ( -2.458 -2.726 -2.065) 4.211 5.485 ( 2.458 2.726 -2.065) 4.211 6.515 ( -9.416 -4.982 -6.027) 12.240 6.515 ( 9.416 4.982 -6.027) 12.240 7.152 ( 13.019 -15.463 2.595) 20.380 7.152 ( -13.019 15.463 2.595) 20.380 7.981 ( -22.569 -12.021 -24.138) 35.163 7.981 ( 22.569 12.021 -24.138) 35.163 8.170 ( -0.298 -7.227 -1.667) 7.423 8.170 ( 0.298 7.227 -1.667) 7.423 9.140 ( 1.157 -27.754 -3.891) 28.049 9.140 ( -1.157 27.754 -3.891) 28.049 9.469 ( -20.286 6.132 -13.203) 24.969 9.469 ( 20.286 -6.132 -13.203) 24.969 9.970 ( 3.140 -7.924 -4.199) 9.502 9.970 ( -3.140 7.924 -4.199) 9.502 10.271 ( 7.606 -14.318 -2.879) 16.466 10.271 ( -7.606 14.318 -2.879) 16.466 10.708 ( -22.692 -5.651 -10.833) 25.772 10.708 ( 22.692 5.651 -10.833) 25.772 11.125 ( -10.653 -8.223 -11.872) 17.945 11.125 ( 10.653 8.223 -11.872) 17.945 11.713 ( -1.293 -10.324 -4.630) 11.389 11.713 ( 1.293 10.324 -4.630) 11.389 12.769 ( -2.724 -14.574 15.066) 21.138 12.769 ( 2.724 14.574 15.066) 21.138 13.485 ( 4.393 -16.420 4.687) 17.632 13.485 ( -4.393 16.420 4.687) 17.632 14.123 ( 3.854 -3.914 11.848) 13.059 14.123 ( -3.854 3.914 11.848) 13.059 14.671 ( -12.176 -3.719 5.040) 13.693 14.671 ( 12.176 3.719 5.040) 13.693 15.220 ( -14.264 3.702 -5.703) 15.802 15.220 ( 14.264 -3.702 -5.703) 15.802 16.178 ( -1.728 -11.513 9.953) 15.317 16.178 ( 1.728 11.513 9.953) 15.317 17.244 ( -13.799 -0.903 -6.203) 15.156 17.244 ( 13.799 0.903 -6.203) 15.156 17.456 ( -5.396 -0.088 3.474) 6.418 17.456 ( 5.396 0.088 3.474) 6.418 18.002 ( -20.069 -4.653 8.737) 22.377 18.002 ( 20.069 4.653 8.737) 22.377 18.066 ( -11.173 -3.373 -2.536) 11.944 18.066 ( 11.173 3.373 -2.536) 11.944 19.290 ( -13.165 -0.390 10.710) 16.976 19.290 ( 13.165 0.390 10.710) 16.976 19.564 ( -2.873 -4.558 -1.009) 5.482 19.564 ( 2.873 4.558 -1.009) 5.482 20.696 ( 4.122 -7.355 -1.293) 8.530 20.696 ( -4.122 7.355 -1.293) 8.530 21.157 ( -23.665 -0.287 -8.633) 25.192 21.157 ( 23.665 0.287 -8.633) 25.192 21.850 ( -4.776 -1.196 4.067) 6.386 21.850 ( 4.776 1.196 4.067) 6.386 22.089 ( 1.008 -2.341 1.455) 2.934 22.089 ( -1.008 2.341 1.455) 2.934 22.541 ( -8.379 -0.131 1.303) 8.480 22.541 ( 8.379 0.131 1.303) 8.480 22.574 ( -8.763 0.095 -0.329) 8.770 22.574 ( 8.763 -0.095 -0.329) 8.770 22.733 ( -2.501 -0.323 0.431) 2.559 22.733 ( 2.501 0.323 0.431) 2.559 22.882 ( -9.289 -0.952 2.226) 9.600 22.882 ( 9.289 0.952 2.226) 9.600 24.090 ( -1.665 -1.890 6.777) 7.230 24.090 ( 1.665 1.890 6.777) 7.230 24.554 ( -1.225 -0.982 -4.922) 5.166 24.554 ( 1.225 0.982 -4.922) 5.166 25.914 ( -12.627 -0.882 -0.433) 12.665 25.914 ( 12.627 0.882 -0.433) 12.665 25.981 ( -5.788 -2.461 -2.176) 6.655 25.981 ( 5.788 2.461 -2.176) 6.655 26.133 ( 0.067 -1.633 -1.874) 2.487 26.133 ( -0.067 1.633 -1.874) 2.487 26.384 ( 2.051 -1.506 6.695) 7.162 26.384 ( -2.051 1.506 6.695) 7.162 27.234 ( -1.799 -0.194 1.622) 2.431 27.234 ( 1.799 0.194 1.622) 2.431 27.487 ( -3.915 -0.474 -1.981) 4.413 27.487 ( 3.915 0.474 -1.981) 4.413 27.609 ( -1.688 -1.634 -3.868) 4.525 27.609 ( 1.688 1.634 -3.868) 4.525 27.915 ( -1.209 -0.496 0.634) 1.453 27.915 ( 1.209 0.496 0.634) 1.453 29.271 ( -0.994 -0.922 2.309) 2.678 29.271 ( 0.994 0.922 2.309) 2.678 29.458 ( 0.400 -1.482 -0.086) 1.537 29.458 ( -0.400 1.482 -0.086) 1.537 31.844 ( 2.127 -1.258 -1.110) 2.709 31.844 ( -2.127 1.258 -1.110) 2.709 32.096 ( -3.978 0.403 2.563) 4.749 32.096 ( 3.978 -0.403 2.563) 4.749 ======================= Grid point 61 (50/84) ======================= q-point: (-0.12 0.13 0.37) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.762 ( 44.813 17.056 -0.000) 47.949 3.955 ( 40.344 12.850 -0.000) 42.341 4.550 ( -11.322 -15.306 -0.000) 19.039 4.835 ( -24.252 -24.179 -0.000) 34.246 5.365 ( 0.155 3.562 0.000) 3.565 5.399 ( 0.106 2.557 0.000) 2.560 5.707 ( 5.369 19.519 0.000) 20.244 6.225 ( 29.721 35.028 0.000) 45.938 6.559 ( 1.873 -15.612 -0.000) 15.724 7.465 ( 1.647 1.490 0.000) 2.221 7.515 ( 8.479 -12.653 -0.000) 15.231 7.796 ( -7.647 -7.243 -0.000) 10.533 8.256 ( -18.587 18.936 0.000) 26.534 8.532 ( -0.956 -1.625 -0.000) 1.886 8.702 ( -21.790 6.268 0.000) 22.674 9.035 ( 15.062 -8.548 -0.000) 17.319 9.390 ( -26.091 -38.430 -0.000) 46.450 9.541 ( -10.362 -14.771 -0.000) 18.043 9.848 ( -16.642 7.882 0.000) 18.414 9.876 ( 2.424 1.569 0.000) 2.887 10.169 ( 44.972 5.631 -0.000) 45.323 10.218 ( -39.589 -3.345 0.000) 39.730 10.378 ( 9.885 -8.799 -0.000) 13.234 10.602 ( 14.397 6.236 -0.000) 15.689 10.843 ( 6.778 -13.256 -0.000) 14.888 11.098 ( -5.419 -7.584 -0.000) 9.321 11.310 ( 18.001 19.169 0.000) 26.296 11.824 ( -15.755 -4.811 0.000) 16.473 12.178 ( -15.481 41.058 0.000) 43.880 13.336 ( 0.007 -6.777 -0.000) 6.777 13.392 ( -1.233 6.715 0.000) 6.827 13.758 ( 5.137 -11.854 -0.000) 12.919 14.625 ( 7.235 -0.594 -0.000) 7.259 14.634 ( -22.893 -0.172 0.000) 22.893 14.765 ( 9.091 1.568 -0.000) 9.225 14.773 ( 14.785 0.627 -0.000) 14.798 15.022 ( 0.483 -0.694 -0.000) 0.846 15.094 ( -3.532 -3.537 -0.000) 4.999 16.252 ( 1.326 6.900 0.000) 7.027 16.702 ( -2.186 -11.265 -0.000) 11.475 17.048 ( -23.980 0.583 0.000) 23.987 17.074 ( 23.114 -0.445 -0.000) 23.118 17.420 ( 20.757 -0.017 -0.000) 20.757 17.424 ( -20.269 -0.167 0.000) 20.269 17.929 ( 15.045 1.702 -0.000) 15.141 17.985 ( -12.399 -0.655 0.000) 12.416 18.143 ( 25.645 7.755 -0.000) 26.792 18.461 ( -27.921 -5.273 0.000) 28.415 19.215 ( -2.436 3.593 0.000) 4.341 19.380 ( 3.048 -2.994 -0.000) 4.272 20.089 ( -38.838 0.356 0.000) 38.840 20.129 ( 40.133 -1.499 -0.000) 40.161 20.336 ( 18.678 0.957 -0.000) 18.702 20.343 ( -15.664 0.775 0.000) 15.683 20.726 ( -12.613 6.189 0.000) 14.049 20.999 ( 3.565 -4.250 -0.000) 5.548 21.999 ( -7.259 1.543 0.000) 7.421 22.071 ( 5.711 -1.312 -0.000) 5.860 22.119 ( 2.722 1.448 -0.000) 3.084 22.212 ( 0.768 -2.374 -0.000) 2.496 22.451 ( -19.697 0.030 0.000) 19.697 22.451 ( 18.789 -0.078 -0.000) 18.789 22.595 ( -5.282 1.068 0.000) 5.389 22.686 ( 6.780 -2.877 -0.000) 7.365 22.756 ( -10.415 0.829 0.000) 10.448 22.826 ( 8.808 -2.276 -0.000) 9.097 22.926 ( 12.409 1.072 -0.000) 12.455 22.933 ( -7.458 0.383 0.000) 7.468 24.290 ( 0.089 2.746 0.000) 2.747 24.327 ( 1.113 0.045 -0.000) 1.114 24.342 ( 0.027 0.248 0.000) 0.249 24.436 ( 0.108 -2.322 -0.000) 2.324 25.798 ( 14.347 1.572 -0.000) 14.433 25.897 ( -20.802 -2.252 0.000) 20.923 25.946 ( -4.844 0.217 0.000) 4.849 25.987 ( 9.219 -0.768 -0.000) 9.251 26.066 ( 5.457 0.551 -0.000) 5.485 26.079 ( -7.039 0.667 0.000) 7.070 26.514 ( -2.302 1.209 0.000) 2.600 26.585 ( 3.371 -1.542 -0.000) 3.707 27.242 ( -8.569 1.037 0.000) 8.631 27.321 ( 6.290 -2.078 -0.000) 6.624 27.411 ( -2.311 -0.030 0.000) 2.311 27.416 ( 3.364 -0.137 -0.000) 3.367 27.506 ( -5.686 0.994 0.000) 5.773 27.530 ( 5.895 0.097 -0.000) 5.896 27.945 ( 0.711 0.301 -0.000) 0.772 27.968 ( -2.928 -0.604 0.000) 2.990 29.292 ( 0.906 1.381 0.000) 1.651 29.370 ( -2.265 -1.855 -0.000) 2.927 29.446 ( 2.801 0.289 -0.000) 2.816 29.452 ( -1.560 0.195 0.000) 1.572 31.792 ( -2.820 1.167 0.000) 3.052 31.853 ( 3.793 -1.266 -0.000) 3.999 32.149 ( -5.284 0.241 0.000) 5.289 32.161 ( 5.425 -0.223 -0.000) 5.430 ======================= Grid point 62 (51/84) ======================= q-point: (-0.12 0.13 -0.13) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.304 ( -0.000 -64.108 -0.000) 64.108 1.402 ( -0.000 -69.535 -0.000) 69.535 2.442 ( -0.000 -120.589 -0.000) 120.589 5.388 ( 0.000 1.520 0.000) 1.520 5.407 ( 0.000 6.347 0.000) 6.347 5.576 ( -0.000 -2.850 -0.000) 2.850 6.244 ( -0.000 -0.985 -0.000) 0.985 6.513 ( 0.000 14.153 0.000) 14.153 6.809 ( -0.000 -1.102 -0.000) 1.102 6.815 ( 0.000 7.801 0.000) 7.801 7.019 ( 0.000 1.794 0.000) 1.794 7.558 ( 0.000 6.020 0.000) 6.020 7.672 ( -0.000 -10.544 -0.000) 10.544 8.239 ( 0.000 1.878 0.000) 1.878 8.239 ( 0.000 13.709 0.000) 13.709 8.618 ( 0.000 4.733 0.000) 4.733 8.768 ( 0.000 4.788 0.000) 4.788 9.354 ( -0.000 -2.257 -0.000) 2.257 9.368 ( -0.000 -9.686 -0.000) 9.686 10.165 ( -0.000 -11.980 -0.000) 11.980 10.192 ( 0.000 39.812 0.000) 39.812 10.279 ( 0.000 3.378 0.000) 3.378 10.561 ( -0.000 -14.867 -0.000) 14.867 10.942 ( 0.000 21.500 0.000) 21.500 11.538 ( 0.000 2.872 0.000) 2.872 12.616 ( -0.000 -26.293 -0.000) 26.293 12.628 ( -0.000 -12.118 -0.000) 12.118 12.850 ( 0.000 2.920 0.000) 2.920 13.053 ( 0.000 32.061 0.000) 32.061 13.517 ( -0.000 -5.866 -0.000) 5.866 13.554 ( -0.000 -4.842 -0.000) 4.842 13.590 ( 0.000 1.075 0.000) 1.075 13.913 ( -0.000 -8.519 -0.000) 8.519 13.950 ( 0.000 2.464 0.000) 2.464 14.257 ( 0.000 1.594 0.000) 1.594 14.918 ( -0.000 -0.480 -0.000) 0.480 15.895 ( -0.000 -2.456 -0.000) 2.456 15.904 ( -0.000 -0.724 -0.000) 0.724 16.048 ( 0.000 0.254 0.000) 0.254 16.186 ( -0.000 -0.998 -0.000) 0.998 16.459 ( -0.000 -0.601 -0.000) 0.601 16.586 ( -0.000 -2.108 -0.000) 2.108 16.876 ( 0.000 9.967 0.000) 9.967 17.430 ( 0.000 0.406 0.000) 0.406 17.524 ( -0.000 -2.836 -0.000) 2.836 17.753 ( -0.000 -0.147 -0.000) 0.147 18.680 ( -0.000 -0.094 -0.000) 0.094 18.831 ( -0.000 -1.108 -0.000) 1.108 18.991 ( -0.000 -1.210 -0.000) 1.210 19.183 ( 0.000 2.036 0.000) 2.036 19.390 ( 0.000 6.499 0.000) 6.499 19.689 ( -0.000 -4.746 -0.000) 4.746 20.778 ( -0.000 -3.146 -0.000) 3.146 20.993 ( 0.000 10.054 0.000) 10.054 21.222 ( -0.000 -1.459 -0.000) 1.459 21.431 ( 0.000 0.129 0.000) 0.129 21.635 ( 0.000 5.056 0.000) 5.056 22.066 ( -0.000 -4.998 -0.000) 4.998 22.162 ( -0.000 -0.565 -0.000) 0.565 22.167 ( -0.000 -1.142 -0.000) 1.142 22.415 ( -0.000 -1.873 -0.000) 1.873 22.456 ( -0.000 -2.216 -0.000) 2.216 22.516 ( 0.000 0.914 0.000) 0.914 22.785 ( -0.000 -0.087 -0.000) 0.087 22.825 ( -0.000 -0.408 -0.000) 0.408 23.139 ( 0.000 0.784 0.000) 0.784 23.163 ( -0.000 -0.016 -0.000) 0.016 23.504 ( 0.000 0.348 0.000) 0.348 24.000 ( 0.000 0.375 0.000) 0.375 24.111 ( -0.000 -3.587 -0.000) 3.587 24.294 ( -0.000 -1.146 -0.000) 1.146 24.319 ( -0.000 -0.846 -0.000) 0.846 24.412 ( -0.000 -0.818 -0.000) 0.818 25.619 ( -0.000 -1.695 -0.000) 1.695 25.924 ( 0.000 3.185 0.000) 3.185 26.137 ( 0.000 2.394 0.000) 2.394 26.257 ( 0.000 0.367 0.000) 0.367 26.493 ( 0.000 1.092 0.000) 1.092 26.598 ( -0.000 -2.575 -0.000) 2.575 26.725 ( 0.000 1.626 0.000) 1.626 27.081 ( 0.000 3.896 0.000) 3.896 27.306 ( -0.000 -0.186 -0.000) 0.186 27.318 ( -0.000 -0.254 -0.000) 0.254 27.324 ( -0.000 -3.887 -0.000) 3.887 27.474 ( -0.000 -1.542 -0.000) 1.542 27.749 ( -0.000 -0.510 -0.000) 0.510 27.900 ( 0.000 0.963 0.000) 0.963 28.038 ( 0.000 1.953 0.000) 1.953 29.255 ( -0.000 -0.061 -0.000) 0.061 29.359 ( -0.000 -1.288 -0.000) 1.288 29.444 ( 0.000 3.112 0.000) 3.112 29.537 ( -0.000 -1.352 -0.000) 1.352 31.698 ( 0.000 0.374 0.000) 0.374 31.892 ( -0.000 -1.848 -0.000) 1.848 31.959 ( 0.000 0.063 0.000) 0.063 32.359 ( -0.000 -0.290 -0.000) 0.290 ======================= Grid point 64 (52/84) ======================= q-point: (-0.15 0.27 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.306 ( -3.404 -19.611 6.825) 21.042 4.481 ( -12.398 -24.586 20.842) 34.533 4.823 ( 26.908 -2.983 8.809) 28.470 4.904 ( 21.349 -0.694 9.624) 23.428 5.411 ( 1.449 1.202 2.177) 2.878 5.447 ( 6.975 6.617 2.625) 9.966 5.813 ( -5.227 20.726 14.246) 25.687 6.551 ( -2.048 14.559 0.545) 14.712 6.783 ( 8.021 -10.675 14.746) 19.893 7.157 ( -34.511 4.004 6.257) 35.301 7.695 ( 1.669 -14.918 3.569) 15.429 7.754 ( 7.537 -11.569 6.946) 15.456 8.344 ( -1.862 13.019 -2.184) 13.332 8.362 ( 10.185 0.773 -3.097) 10.673 8.505 ( -11.864 1.353 7.987) 14.366 8.740 ( -28.855 -6.741 -5.215) 30.087 8.992 ( -40.686 2.006 7.036) 41.339 9.117 ( -28.718 2.834 15.385) 32.703 9.511 ( 1.796 -6.937 19.420) 20.700 9.621 ( -5.915 -4.932 2.537) 8.108 10.181 ( -2.221 -1.587 0.261) 2.742 10.308 ( -6.022 0.481 3.594) 7.030 10.864 ( 11.702 -4.635 -3.534) 13.073 11.009 ( 5.197 -3.375 4.486) 7.650 11.263 ( 9.930 -5.543 4.566) 12.254 11.440 ( 55.078 -2.239 -3.961) 55.266 11.625 ( -11.315 22.731 7.830) 26.572 11.903 ( 34.473 9.491 -3.129) 35.892 12.136 ( 12.722 13.740 -0.576) 18.734 13.195 ( -0.281 1.570 -12.341) 12.444 13.406 ( -0.489 0.892 0.898) 1.357 13.850 ( 3.817 -7.046 -1.902) 8.236 13.993 ( -18.377 2.752 -19.602) 27.009 14.472 ( -10.074 -1.526 4.107) 10.986 14.859 ( -12.912 -3.559 -4.686) 14.190 14.928 ( 19.509 -1.665 -14.002) 24.071 15.079 ( 7.692 -2.710 -0.059) 8.156 15.428 ( 21.961 -0.232 11.336) 24.715 16.215 ( 2.598 7.607 -7.092) 10.720 16.528 ( -5.483 -5.484 -4.122) 8.783 16.768 ( -13.191 -4.873 8.579) 16.473 16.999 ( -24.810 -0.222 4.046) 25.139 17.472 ( 9.467 0.001 -1.346) 9.562 17.495 ( -17.630 -0.112 -13.184) 22.015 17.855 ( -3.553 -1.764 5.711) 6.953 17.926 ( -6.350 -3.873 2.197) 7.756 18.291 ( 18.751 0.274 -0.403) 18.758 18.548 ( 19.489 8.825 -3.721) 21.715 19.162 ( -20.291 0.021 -6.328) 21.255 19.223 ( -2.330 2.116 5.635) 6.454 19.497 ( -9.737 -3.446 7.837) 12.965 20.098 ( -18.565 0.248 8.542) 20.437 20.330 ( 25.795 0.677 -25.227) 36.087 20.579 ( -6.086 8.469 1.270) 10.506 20.856 ( 2.972 -2.434 0.996) 3.969 21.482 ( 22.596 0.320 3.481) 22.865 21.824 ( -1.178 1.538 5.314) 5.656 22.039 ( -12.801 -0.347 -1.524) 12.896 22.073 ( -0.339 -0.502 -7.273) 7.298 22.182 ( -1.235 0.267 2.389) 2.702 22.212 ( 1.557 -2.609 -0.639) 3.105 22.493 ( -4.315 -0.922 -2.908) 5.285 22.550 ( -3.442 1.670 -3.646) 5.285 22.759 ( -6.689 -1.123 -1.913) 7.047 22.811 ( 10.362 -1.508 1.063) 10.525 22.831 ( 8.392 -1.024 0.973) 8.510 22.979 ( 6.778 -1.292 -0.287) 6.906 23.159 ( 13.162 -1.066 -2.328) 13.409 24.179 ( -1.296 1.005 -6.937) 7.128 24.223 ( -3.304 -0.648 -7.671) 8.378 24.455 ( 1.591 0.396 6.210) 6.423 24.467 ( -1.232 -1.141 4.131) 4.460 25.374 ( -29.746 -0.406 5.763) 30.302 25.871 ( -2.705 1.055 2.260) 3.680 25.882 ( -7.440 -0.954 -0.349) 7.509 26.002 ( 1.071 1.463 0.895) 2.023 26.170 ( 4.841 0.896 1.522) 5.153 26.326 ( 14.157 0.221 0.066) 14.159 26.430 ( -1.685 0.851 -3.885) 4.319 26.599 ( 2.758 -1.514 -5.119) 6.009 27.071 ( -6.953 2.452 -0.436) 7.386 27.375 ( -3.074 -0.465 0.544) 3.156 27.424 ( -0.879 0.284 1.527) 1.785 27.437 ( 3.272 -2.108 0.761) 3.966 27.529 ( 2.843 -0.332 3.803) 4.760 27.660 ( 5.260 -0.101 1.232) 5.403 27.892 ( -3.119 0.447 -0.802) 3.252 27.931 ( -0.213 1.139 -1.604) 1.979 29.294 ( -0.495 0.322 -1.540) 1.649 29.310 ( -0.737 0.296 -1.127) 1.379 29.423 ( -0.738 -0.195 -0.522) 0.925 29.509 ( 2.307 -0.361 0.548) 2.399 31.750 ( -2.264 0.716 1.320) 2.717 31.920 ( 2.806 -1.465 -0.266) 3.177 32.039 ( -4.175 0.197 -0.980) 4.293 32.243 ( 4.468 -0.278 -2.243) 5.007 ======================= Grid point 65 (53/84) ======================= q-point: (-0.15 0.52 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.510 ( -5.397 0.000 -1.037) 5.495 5.085 ( -0.859 0.000 -3.122) 3.238 5.312 ( 2.663 -0.000 0.248) 2.674 5.379 ( 14.957 -0.000 8.065) 16.993 5.456 ( 8.937 -0.000 0.071) 8.937 5.760 ( 19.058 -0.000 30.842) 36.255 6.284 ( -11.195 0.000 -13.040) 17.187 6.535 ( -4.785 0.000 12.245) 13.147 6.924 ( -7.610 0.000 -35.322) 36.133 6.970 ( 29.127 -0.000 -0.299) 29.129 7.423 ( -23.158 0.000 8.257) 24.586 8.126 ( -5.439 0.000 -10.923) 12.202 8.678 ( 0.292 0.000 7.936) 7.942 8.914 ( -14.790 0.000 11.287) 18.605 9.257 ( -5.913 0.000 47.202) 47.571 9.336 ( -2.517 0.000 42.632) 42.706 9.476 ( -10.085 0.000 7.456) 12.542 9.910 ( -18.734 0.000 14.612) 23.759 9.996 ( 3.179 -0.000 19.456) 19.714 10.148 ( -5.629 0.000 -2.675) 6.232 10.561 ( 25.011 -0.000 -7.404) 26.084 10.641 ( -2.998 0.000 13.377) 13.708 10.800 ( 1.213 0.000 14.084) 14.136 11.041 ( 17.393 -0.000 -14.617) 22.720 11.463 ( -13.098 0.000 13.822) 19.042 11.467 ( 5.982 -0.000 -23.950) 24.686 11.668 ( 9.745 -0.000 -16.719) 19.352 11.722 ( -9.920 0.000 4.109) 10.738 11.938 ( 4.318 -0.000 -11.504) 12.287 12.297 ( -5.879 0.000 25.445) 26.115 12.534 ( -23.822 0.000 -31.980) 39.877 13.681 ( 3.389 -0.000 8.567) 9.213 14.006 ( 2.142 -0.000 2.969) 3.661 14.353 ( -6.748 0.000 -16.438) 17.769 14.439 ( 4.856 -0.000 -11.709) 12.676 14.730 ( 13.609 -0.000 -11.308) 17.694 15.061 ( 3.068 -0.000 9.971) 10.432 15.763 ( 2.341 -0.000 -7.436) 7.795 15.819 ( 8.869 -0.000 -1.411) 8.981 16.380 ( 2.542 -0.000 -5.590) 6.141 16.961 ( -4.445 0.000 1.375) 4.653 17.171 ( -15.722 0.000 0.575) 15.732 17.272 ( -6.369 0.000 11.493) 13.139 17.469 ( 4.959 -0.000 -1.825) 5.284 18.080 ( 4.390 -0.000 3.892) 5.867 18.100 ( 26.026 -0.000 -12.209) 28.747 18.132 ( -3.102 0.000 4.143) 5.175 18.201 ( 5.688 -0.000 -4.236) 7.092 19.019 ( 0.211 -0.000 1.434) 1.449 19.268 ( 14.123 -0.000 -15.687) 21.108 19.561 ( 1.956 -0.000 3.944) 4.403 19.672 ( 1.310 -0.000 -0.516) 1.408 20.403 ( -4.630 0.000 3.471) 5.787 20.900 ( 0.970 -0.000 -0.536) 1.108 20.908 ( -29.184 0.000 16.353) 33.453 21.111 ( -5.055 0.000 -9.594) 10.844 21.680 ( -4.813 0.000 -5.448) 7.269 21.760 ( -14.170 0.000 -9.795) 17.225 22.149 ( 2.036 -0.000 -2.737) 3.411 22.178 ( -4.003 0.000 -2.577) 4.761 22.316 ( -9.404 0.000 5.386) 10.838 22.517 ( 20.532 -0.000 9.756) 22.732 22.546 ( -2.347 0.000 0.526) 2.405 22.664 ( -8.660 0.000 -2.155) 8.924 22.830 ( 3.514 -0.000 -1.642) 3.878 22.899 ( 10.996 -0.000 1.416) 11.087 22.985 ( 16.824 -0.000 -6.037) 17.874 22.986 ( 6.599 -0.000 -0.811) 6.648 23.917 ( -0.534 -0.000 -4.994) 5.022 23.947 ( -4.954 0.000 -3.437) 6.030 24.648 ( 0.225 0.000 3.556) 3.563 24.671 ( 2.940 -0.000 3.277) 4.403 25.634 ( -18.378 0.000 4.822) 19.000 25.823 ( -11.481 0.000 -2.658) 11.785 25.970 ( -1.248 0.000 2.938) 3.192 26.006 ( 2.097 -0.000 1.143) 2.388 26.169 ( -0.336 -0.000 -5.581) 5.591 26.269 ( 2.573 -0.000 -1.765) 3.120 26.321 ( 2.227 -0.000 -3.056) 3.781 26.339 ( 8.790 -0.000 -0.650) 8.814 27.048 ( -3.869 0.000 1.151) 4.037 27.374 ( 4.792 -0.000 -2.896) 5.599 27.399 ( -4.568 0.000 0.623) 4.610 27.649 ( -0.847 0.000 5.209) 5.278 27.661 ( 7.526 -0.000 1.824) 7.744 27.691 ( 0.135 -0.000 -0.955) 0.965 27.865 ( -1.847 0.000 -0.037) 1.847 27.948 ( -0.042 0.000 3.060) 3.060 29.219 ( -1.365 0.000 -1.640) 2.134 29.237 ( 0.650 -0.000 -1.420) 1.562 29.383 ( -0.059 -0.000 -0.697) 0.700 29.536 ( 1.025 -0.000 -0.045) 1.026 31.841 ( -0.027 0.000 2.920) 2.920 31.920 ( 1.336 -0.000 -0.234) 1.356 31.981 ( -2.443 0.000 -0.989) 2.635 32.099 ( 1.807 -0.000 -4.276) 4.642 ======================= Grid point 71 (54/84) ======================= q-point: (-0.17 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( 58.288 -0.000 -0.000) 58.288 2.725 ( 61.491 -0.000 -0.000) 61.491 4.110 ( 87.480 -0.000 -0.000) 87.480 5.065 ( -27.614 0.000 0.000) 27.614 5.358 ( -1.829 0.000 0.000) 1.829 5.411 ( -5.469 0.000 0.000) 5.469 5.596 ( -4.590 0.000 0.000) 4.590 5.923 ( -22.808 0.000 0.000) 22.808 6.704 ( 0.574 -0.000 -0.000) 0.574 7.366 ( 22.121 -0.000 -0.000) 22.121 7.636 ( 3.625 -0.000 -0.000) 3.625 7.697 ( -19.240 0.000 0.000) 19.240 8.553 ( 5.579 -0.000 -0.000) 5.579 8.661 ( -27.946 0.000 0.000) 27.946 8.807 ( 17.147 -0.000 -0.000) 17.147 8.813 ( 55.198 -0.000 -0.000) 55.198 9.030 ( -17.415 0.000 0.000) 17.415 9.136 ( 45.114 -0.000 -0.000) 45.114 9.966 ( 8.272 -0.000 -0.000) 8.272 10.063 ( -13.693 0.000 0.000) 13.693 10.257 ( -0.879 0.000 0.000) 0.879 10.326 ( 25.239 -0.000 -0.000) 25.239 10.713 ( -1.964 0.000 0.000) 1.964 10.836 ( -17.142 0.000 0.000) 17.142 11.243 ( -36.994 0.000 0.000) 36.994 11.309 ( -10.580 0.000 0.000) 10.580 11.347 ( -54.389 0.000 0.000) 54.389 11.978 ( -18.525 0.000 0.000) 18.525 12.400 ( -33.968 0.000 0.000) 33.968 13.353 ( -2.842 0.000 0.000) 2.842 13.419 ( -1.364 0.000 0.000) 1.364 13.839 ( 2.275 -0.000 -0.000) 2.275 14.338 ( 16.878 -0.000 -0.000) 16.878 14.398 ( 21.140 -0.000 -0.000) 21.140 14.507 ( 10.366 -0.000 -0.000) 10.366 15.104 ( 4.647 -0.000 -0.000) 4.647 15.150 ( -25.828 0.000 0.000) 25.828 15.277 ( -17.986 0.000 0.000) 17.986 16.184 ( -1.689 0.000 0.000) 1.689 16.600 ( 23.183 -0.000 -0.000) 23.183 16.886 ( 1.462 -0.000 -0.000) 1.462 16.946 ( 21.268 -0.000 -0.000) 21.268 17.459 ( -16.342 0.000 0.000) 16.342 17.487 ( 28.881 -0.000 -0.000) 28.881 17.677 ( 10.099 -0.000 -0.000) 10.099 17.722 ( -7.771 0.000 0.000) 7.771 18.285 ( -17.453 0.000 0.000) 17.453 19.005 ( -20.164 0.000 0.000) 20.164 19.185 ( 2.068 -0.000 -0.000) 2.068 19.308 ( 37.071 -0.000 -0.000) 37.071 19.333 ( 3.872 -0.000 -0.000) 3.872 19.920 ( 17.265 -0.000 -0.000) 17.265 20.570 ( -10.502 0.000 0.000) 10.502 20.708 ( -18.194 0.000 0.000) 18.194 21.049 ( -1.598 0.000 0.000) 1.598 21.298 ( -45.210 0.000 0.000) 45.210 21.894 ( 16.223 -0.000 -0.000) 16.223 22.027 ( 2.204 -0.000 -0.000) 2.204 22.092 ( -3.709 0.000 0.000) 3.709 22.134 ( 12.235 -0.000 -0.000) 12.235 22.202 ( 1.923 -0.000 -0.000) 1.923 22.600 ( 5.584 -0.000 -0.000) 5.584 22.624 ( 12.298 -0.000 -0.000) 12.298 22.689 ( 8.002 -0.000 -0.000) 8.002 22.700 ( -5.991 0.000 0.000) 5.991 22.807 ( -15.780 0.000 0.000) 15.780 23.018 ( -15.056 0.000 0.000) 15.056 23.048 ( -5.023 0.000 0.000) 5.023 24.271 ( -0.836 0.000 0.000) 0.836 24.292 ( 2.095 -0.000 -0.000) 2.095 24.328 ( 0.779 -0.000 -0.000) 0.779 24.398 ( 6.206 -0.000 -0.000) 6.206 25.285 ( 30.747 -0.000 -0.000) 30.747 25.811 ( 9.083 -0.000 -0.000) 9.083 25.948 ( 0.309 -0.000 -0.000) 0.309 26.081 ( -3.199 0.000 0.000) 3.199 26.198 ( -5.609 0.000 0.000) 5.609 26.364 ( -18.328 0.000 0.000) 18.328 26.538 ( -1.555 0.000 0.000) 1.555 26.542 ( 2.247 -0.000 -0.000) 2.247 27.229 ( 4.943 -0.000 -0.000) 4.943 27.357 ( 2.583 -0.000 -0.000) 2.583 27.411 ( -6.155 0.000 0.000) 6.155 27.418 ( 4.777 -0.000 -0.000) 4.777 27.454 ( -3.856 0.000 0.000) 3.856 27.611 ( -5.319 0.000 0.000) 5.319 27.927 ( 1.038 -0.000 -0.000) 1.038 28.028 ( -1.895 0.000 0.000) 1.895 29.265 ( 0.499 -0.000 -0.000) 0.499 29.387 ( 2.508 -0.000 -0.000) 2.508 29.448 ( -2.494 0.000 0.000) 2.494 29.468 ( -1.100 0.000 0.000) 1.100 31.788 ( 3.716 -0.000 -0.000) 3.716 31.828 ( -2.101 0.000 0.000) 2.101 32.060 ( 4.598 -0.000 -0.000) 4.598 32.248 ( -4.679 0.000 0.000) 4.679 ======================= Grid point 72 (55/84) ======================= q-point: (-0.17 0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -29.047 -49.234 -0.000) 57.164 3.050 ( -24.445 -55.368 -0.000) 60.524 5.072 ( -29.767 -93.592 -0.000) 98.212 5.218 ( 5.960 9.416 0.000) 11.144 5.308 ( 2.041 6.960 0.000) 7.253 5.637 ( -0.876 -5.007 -0.000) 5.083 5.711 ( 35.524 0.574 -0.000) 35.529 6.160 ( 1.418 21.764 0.000) 21.810 6.565 ( 11.946 -7.098 -0.000) 13.896 6.721 ( -9.298 12.388 0.000) 15.489 7.391 ( -21.471 15.759 0.000) 26.633 7.762 ( -10.171 -2.417 0.000) 10.454 7.987 ( -14.315 1.268 0.000) 14.371 8.176 ( -32.353 -5.092 0.000) 32.751 8.249 ( -12.160 9.656 0.000) 15.528 8.531 ( 3.254 8.180 0.000) 8.803 8.793 ( -16.858 14.542 0.000) 22.263 9.272 ( 9.445 26.263 0.000) 27.910 9.352 ( 8.625 6.411 0.000) 10.747 9.513 ( 4.261 -7.946 -0.000) 9.016 10.179 ( 1.369 2.345 0.000) 2.715 10.445 ( -0.331 21.293 0.000) 21.296 10.515 ( -2.906 -18.147 -0.000) 18.379 10.935 ( 3.615 -24.661 -0.000) 24.925 11.376 ( 10.610 3.979 -0.000) 11.332 12.146 ( 12.273 25.726 0.000) 28.503 12.425 ( 35.971 -3.120 -0.000) 36.106 12.677 ( 10.023 10.870 0.000) 14.785 12.892 ( 40.426 4.315 -0.000) 40.656 13.115 ( -2.684 -13.162 -0.000) 13.433 13.528 ( -0.072 6.290 0.000) 6.290 13.850 ( 5.891 -11.254 -0.000) 12.703 13.963 ( -8.978 3.016 0.000) 9.471 14.242 ( -8.262 4.305 0.000) 9.316 14.373 ( -20.887 -9.839 0.000) 23.089 15.014 ( -2.585 -3.973 -0.000) 4.740 15.654 ( 21.196 2.476 -0.000) 21.340 15.658 ( 21.365 -1.782 -0.000) 21.439 16.189 ( -14.417 0.890 0.000) 14.445 16.443 ( -20.055 -0.101 0.000) 20.056 16.488 ( 3.472 -10.794 -0.000) 11.339 16.563 ( 1.291 11.492 0.000) 11.564 17.070 ( -29.750 -3.852 0.000) 29.998 17.640 ( -3.747 -4.768 -0.000) 6.064 17.646 ( -12.930 0.463 0.000) 12.939 17.689 ( 5.743 0.091 -0.000) 5.744 18.674 ( 16.178 -1.233 -0.000) 16.225 18.777 ( -11.967 0.246 0.000) 11.969 19.061 ( 4.766 12.574 0.000) 13.447 19.137 ( -10.214 -1.833 0.000) 10.377 19.197 ( 3.205 1.565 -0.000) 3.566 19.817 ( -2.875 -4.467 -0.000) 5.312 20.738 ( -0.896 14.011 0.000) 14.040 20.815 ( 2.582 -3.171 -0.000) 4.089 21.074 ( 14.472 -0.664 -0.000) 14.487 21.557 ( -13.464 0.191 0.000) 13.465 21.732 ( -14.008 3.979 0.000) 14.562 22.154 ( 0.460 -4.073 -0.000) 4.099 22.163 ( 9.420 0.456 -0.000) 9.431 22.171 ( 4.300 -0.075 -0.000) 4.301 22.249 ( 30.468 -2.317 -0.000) 30.556 22.462 ( -0.657 -1.296 -0.000) 1.453 22.534 ( -3.544 -0.196 0.000) 3.550 22.602 ( -6.465 -3.012 0.000) 7.133 22.835 ( 3.272 -2.648 -0.000) 4.209 23.052 ( 8.172 0.316 -0.000) 8.178 23.092 ( 4.530 0.819 -0.000) 4.603 23.380 ( 10.507 -1.639 -0.000) 10.634 24.232 ( -8.705 -0.957 0.000) 8.757 24.273 ( -4.719 -1.590 0.000) 4.980 24.320 ( -0.473 -1.321 -0.000) 1.403 24.345 ( -0.603 -0.961 -0.000) 1.135 24.660 ( -27.010 -0.284 0.000) 27.011 25.715 ( -5.569 -1.913 0.000) 5.889 25.854 ( -0.603 3.131 0.000) 3.189 26.059 ( 1.575 3.087 0.000) 3.466 26.242 ( 1.351 0.813 0.000) 1.576 26.471 ( -0.748 1.596 0.000) 1.762 26.583 ( 8.099 0.989 -0.000) 8.160 26.657 ( 1.923 -1.915 -0.000) 2.714 27.031 ( -3.961 4.416 0.000) 5.932 27.316 ( -1.290 0.133 0.000) 1.297 27.352 ( -2.528 -0.010 0.000) 2.528 27.439 ( 0.052 -3.104 -0.000) 3.105 27.504 ( 0.866 -1.897 -0.000) 2.086 27.727 ( 3.322 -0.874 -0.000) 3.435 27.882 ( -1.175 1.902 0.000) 2.236 27.988 ( 0.118 2.494 0.000) 2.497 29.271 ( -1.082 -0.582 0.000) 1.228 29.374 ( 0.683 2.952 0.000) 3.030 29.394 ( -0.502 -1.503 -0.000) 1.584 29.540 ( 1.470 -0.486 -0.000) 1.549 31.707 ( -1.754 0.674 0.000) 1.879 31.925 ( 1.389 -2.505 -0.000) 2.864 31.983 ( -2.466 0.141 0.000) 2.470 32.337 ( 2.829 -0.419 -0.000) 2.860 ======================= Grid point 73 (56/84) ======================= q-point: (-0.17 0.42 -0.58) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.396 ( 0.060 -18.487 4.501) 19.027 4.649 ( -9.231 -34.017 13.011) 37.572 5.069 ( 0.777 -11.285 5.051) 12.388 5.447 ( 0.885 2.121 9.459) 9.734 5.540 ( 4.310 -0.212 -0.619) 4.360 5.989 ( 27.347 4.690 14.181) 31.160 6.072 ( 0.157 9.223 11.626) 14.841 6.409 ( -6.686 10.609 5.337) 13.628 6.960 ( -7.782 23.577 14.514) 28.759 7.349 ( 10.889 -7.481 -1.742) 13.326 7.558 ( -13.979 -18.893 8.029) 24.836 7.973 ( -11.350 1.518 -2.374) 11.695 8.173 ( -9.474 -6.354 23.480) 26.104 8.260 ( -17.109 0.715 15.999) 23.435 8.407 ( -3.399 -4.129 14.461) 15.418 8.617 ( 0.648 -4.130 5.278) 6.733 8.857 ( -5.036 -1.530 25.748) 26.280 9.398 ( -4.027 5.758 13.080) 14.848 9.509 ( -9.383 15.885 27.461) 33.083 9.964 ( -1.658 -7.981 18.442) 20.163 10.124 ( -3.660 -2.627 -1.664) 4.803 10.317 ( -2.891 1.298 7.927) 8.537 10.953 ( 0.666 -14.014 3.086) 14.365 11.226 ( 13.689 -11.549 -7.807) 19.538 11.449 ( 3.659 -6.593 2.240) 7.867 11.730 ( -4.896 40.885 21.748) 46.567 11.977 ( 19.380 6.396 -20.359) 28.827 12.259 ( 13.734 0.064 -17.012) 21.864 12.290 ( 14.432 5.107 -16.893) 22.798 12.777 ( -2.644 2.960 -30.347) 30.606 12.974 ( -9.191 5.714 -32.953) 34.684 13.606 ( 0.720 0.809 5.320) 5.429 13.882 ( -0.780 -2.802 0.207) 2.916 14.365 ( -8.821 -4.108 -5.459) 11.158 14.785 ( 8.410 1.395 16.732) 18.779 14.842 ( 4.469 -5.160 -19.511) 20.671 15.172 ( 3.238 -2.829 -4.044) 5.903 15.987 ( 10.201 -1.144 -3.335) 10.794 16.162 ( 10.620 5.131 -5.222) 12.899 16.470 ( 2.329 -8.316 -6.172) 10.615 16.632 ( -21.513 -0.026 6.713) 22.536 16.760 ( -10.196 -1.664 16.635) 19.582 16.800 ( -10.519 -0.145 1.656) 10.649 17.645 ( 4.925 0.570 -2.322) 5.475 17.851 ( -4.177 -2.793 6.336) 8.087 18.153 ( 12.380 -2.355 11.333) 16.948 18.518 ( 10.340 0.054 -8.651) 13.481 18.791 ( 12.547 8.922 -4.048) 15.919 18.938 ( -3.431 -1.025 5.411) 6.489 19.331 ( -0.865 0.505 7.409) 7.477 19.405 ( -23.992 -2.684 14.602) 28.214 19.918 ( -9.358 1.089 2.308) 9.700 20.312 ( 25.101 0.346 -26.464) 36.476 20.523 ( -1.949 9.441 1.255) 9.722 20.898 ( 1.274 -2.380 -0.131) 2.703 21.224 ( -11.621 2.200 -14.882) 19.009 21.727 ( -12.563 0.320 -3.878) 13.152 21.862 ( 0.121 -1.117 -12.786) 12.836 21.968 ( -3.496 1.090 -2.201) 4.273 22.189 ( -1.735 -1.450 -2.257) 3.195 22.241 ( 0.402 -1.829 -2.258) 2.933 22.487 ( -1.567 1.232 0.826) 2.157 22.545 ( -6.664 -1.966 -4.220) 8.129 22.804 ( 20.060 -1.022 7.785) 21.542 22.922 ( 9.075 -2.716 1.506) 9.592 23.050 ( 6.772 0.265 0.450) 6.792 23.088 ( 4.950 -0.690 0.158) 5.000 23.354 ( 10.395 -0.186 -2.181) 10.623 23.873 ( -11.889 -1.021 -7.186) 13.929 24.025 ( -2.394 0.060 -6.735) 7.148 24.557 ( 0.796 -0.519 5.369) 5.452 24.629 ( 2.242 -1.076 6.443) 6.906 25.049 ( -19.448 -0.074 12.175) 22.945 25.684 ( -7.267 -0.490 -3.098) 7.915 25.896 ( -1.244 2.466 3.714) 4.628 26.059 ( 2.001 1.285 0.796) 2.508 26.258 ( 1.401 -0.191 -1.219) 1.867 26.302 ( -0.977 1.370 -3.394) 3.788 26.483 ( 2.575 -1.583 -6.828) 7.467 26.523 ( 4.263 0.544 -3.507) 5.547 26.976 ( -2.924 2.140 1.019) 3.764 27.325 ( -2.083 0.784 0.578) 2.299 27.477 ( 1.965 -2.227 0.673) 3.045 27.502 ( -0.105 -1.900 3.411) 3.906 27.660 ( 1.149 -1.300 3.725) 4.110 27.776 ( 3.782 0.624 1.545) 4.133 27.839 ( -1.155 1.472 0.058) 1.872 27.899 ( -0.776 1.161 0.179) 1.408 29.225 ( -1.199 -0.275 -2.108) 2.441 29.292 ( 0.511 0.771 -1.801) 2.025 29.403 ( -0.206 0.477 -0.433) 0.676 29.549 ( 1.137 -1.020 -0.176) 1.537 31.768 ( -0.648 0.409 3.538) 3.621 31.949 ( 1.107 -1.294 -0.822) 1.891 31.956 ( -1.999 0.157 -1.012) 2.246 32.236 ( 2.011 -0.309 -4.953) 5.354 ======================= Grid point 75 (57/84) ======================= q-point: (-0.17 0.67 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.639 ( 8.479 0.000 0.000) 8.479 4.646 ( 12.028 -0.000 -0.000) 12.028 5.191 ( -1.133 0.000 -0.000) 1.133 5.480 ( -5.046 0.000 -0.000) 5.046 5.638 ( 0.782 0.000 0.000) 0.782 5.693 ( -3.474 -0.000 -0.000) 3.474 6.402 ( 7.281 -0.000 -0.000) 7.281 6.819 ( -4.463 0.000 -0.000) 4.463 7.007 ( -9.276 -0.000 -0.000) 9.276 7.030 ( -8.163 0.000 0.000) 8.163 7.389 ( 0.750 0.000 -0.000) 0.750 7.842 ( -12.365 0.000 -0.000) 12.365 8.901 ( 14.668 -0.000 -0.000) 14.668 9.051 ( 12.351 0.000 -0.000) 12.351 9.560 ( 7.951 -0.000 -0.000) 7.951 9.626 ( 8.110 0.000 0.000) 8.110 9.914 ( -4.386 0.000 -0.000) 4.386 9.954 ( -2.817 0.000 -0.000) 2.817 10.017 ( 1.942 -0.000 -0.000) 1.942 10.223 ( -5.181 0.000 -0.000) 5.181 10.539 ( 2.858 0.000 -0.000) 2.858 10.598 ( -0.376 -0.000 -0.000) 0.376 10.800 ( 3.142 0.000 0.000) 3.142 10.900 ( 4.126 0.000 -0.000) 4.126 11.002 ( -0.126 0.000 -0.000) 0.126 11.037 ( 1.663 -0.000 0.000) 1.663 11.727 ( -1.702 -0.000 0.000) 1.702 11.779 ( -5.122 0.000 -0.000) 5.122 12.105 ( 13.708 0.000 -0.000) 13.708 12.299 ( 8.601 0.000 0.000) 8.601 13.464 ( 3.464 0.000 -0.000) 3.464 13.778 ( -9.930 -0.000 -0.000) 9.930 13.922 ( 5.244 0.000 -0.000) 5.244 14.067 ( 1.252 -0.000 -0.000) 1.252 14.125 ( -2.579 0.000 0.000) 2.579 14.380 ( -12.278 0.000 -0.000) 12.278 15.451 ( -0.487 0.000 0.000) 0.487 15.511 ( -0.469 0.000 -0.000) 0.469 15.939 ( -2.163 -0.000 -0.000) 2.163 15.981 ( -3.823 0.000 -0.000) 3.823 17.076 ( 2.203 0.000 -0.000) 2.203 17.171 ( -0.749 0.000 0.000) 0.749 17.383 ( 1.495 0.000 -0.000) 1.495 17.453 ( -2.115 0.000 0.000) 2.115 18.035 ( -15.079 0.000 -0.000) 15.079 18.055 ( -15.447 -0.000 0.000) 15.447 18.123 ( 1.985 -0.000 0.000) 1.985 18.177 ( 0.417 0.000 -0.000) 0.417 19.064 ( -7.452 -0.000 0.000) 7.452 19.092 ( -7.958 0.000 -0.000) 7.958 19.656 ( 0.367 0.000 -0.000) 0.367 19.670 ( -0.446 0.000 -0.000) 0.446 20.667 ( 2.597 0.000 -0.000) 2.597 20.747 ( -0.925 0.000 -0.000) 0.925 21.026 ( 13.004 0.000 -0.000) 13.004 21.073 ( 12.094 0.000 -0.000) 12.094 21.613 ( 14.820 -0.000 -0.000) 14.820 21.678 ( 17.736 0.000 -0.000) 17.736 22.065 ( -1.141 0.000 -0.000) 1.141 22.145 ( 2.963 0.000 -0.000) 2.963 22.468 ( 6.737 0.000 0.000) 6.737 22.477 ( 10.401 -0.000 -0.000) 10.401 22.665 ( -4.501 -0.000 -0.000) 4.501 22.666 ( -5.768 0.000 -0.000) 5.768 22.764 ( -12.278 0.000 -0.000) 12.278 22.776 ( -15.703 -0.000 -0.000) 15.703 22.952 ( -8.602 0.000 -0.000) 8.602 22.974 ( -9.445 0.000 0.000) 9.445 23.865 ( 3.875 -0.000 -0.000) 3.875 23.929 ( 1.668 0.000 -0.000) 1.668 24.680 ( -0.551 0.000 -0.000) 0.551 24.713 ( -1.962 0.000 -0.000) 1.962 25.671 ( 14.430 0.000 -0.000) 14.430 25.794 ( 13.210 0.000 -0.000) 13.210 26.028 ( -3.399 0.000 -0.000) 3.399 26.053 ( 0.941 -0.000 -0.000) 0.941 26.119 ( 0.413 0.000 -0.000) 0.413 26.188 ( -0.339 0.000 -0.000) 0.339 26.303 ( -7.136 0.000 -0.000) 7.136 26.335 ( -4.178 -0.000 -0.000) 4.178 27.098 ( 4.242 0.000 -0.000) 4.242 27.295 ( -5.265 0.000 -0.000) 5.265 27.414 ( 4.128 0.000 -0.000) 4.128 27.627 ( -0.607 0.000 -0.000) 0.607 27.708 ( -4.964 0.000 -0.000) 4.964 27.726 ( -1.054 0.000 -0.000) 1.054 27.918 ( 1.098 0.000 -0.000) 1.098 27.943 ( 0.066 0.000 -0.000) 0.066 29.195 ( 0.715 0.000 -0.000) 0.715 29.216 ( -0.340 0.000 -0.000) 0.340 29.444 ( 0.502 0.000 -0.000) 0.502 29.477 ( -1.000 0.000 -0.000) 1.000 31.893 ( -0.485 -0.000 -0.000) 0.485 31.896 ( -0.634 0.000 -0.000) 0.634 32.009 ( 0.445 -0.000 -0.000) 0.445 32.010 ( 0.464 0.000 0.000) 0.464 ======================= Grid point 77 (58/84) ======================= q-point: (-0.17 -0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.308 ( -2.813 0.000 -10.695) 11.059 4.999 ( -6.127 0.000 2.263) 6.532 5.280 ( 0.498 -0.000 -6.535) 6.554 5.353 ( 1.148 -0.000 -37.390) 37.407 5.599 ( -7.083 0.000 -11.878) 13.829 5.694 ( -7.236 0.000 -16.598) 18.107 5.967 ( 16.189 -0.000 -3.337) 16.529 6.785 ( 2.397 -0.000 7.019) 7.417 6.964 ( 11.994 -0.000 25.484) 28.165 7.364 ( -13.606 0.000 20.507) 24.610 7.458 ( -7.192 0.000 -8.410) 11.066 7.648 ( 18.630 -0.000 -3.749) 19.004 8.980 ( -1.483 0.000 2.829) 3.194 9.118 ( -19.983 0.000 -1.311) 20.026 9.151 ( -1.055 0.000 26.930) 26.951 9.642 ( -8.066 0.000 -0.760) 8.102 9.801 ( -6.717 0.000 6.285) 9.199 9.843 ( -0.128 0.000 14.422) 14.422 10.244 ( -6.968 -0.000 -67.920) 68.276 10.496 ( 5.774 -0.000 -9.114) 10.789 10.532 ( 4.141 0.000 36.192) 36.428 10.557 ( 4.203 -0.000 -17.681) 18.174 10.696 ( 0.090 -0.000 -16.731) 16.731 10.930 ( 12.790 -0.000 -4.073) 13.423 10.980 ( -2.357 -0.000 -25.077) 25.187 11.454 ( -11.175 0.000 -18.432) 21.555 11.540 ( 6.435 -0.000 31.885) 32.528 11.752 ( 8.450 -0.000 -2.094) 8.705 11.756 ( -15.089 0.000 23.743) 28.132 12.214 ( -18.090 0.000 43.871) 47.455 12.809 ( -0.292 0.000 19.207) 19.209 13.802 ( -3.190 0.000 -14.538) 14.884 13.877 ( 0.709 -0.000 0.090) 0.715 14.097 ( -1.953 0.000 4.279) 4.704 14.478 ( 3.718 -0.000 4.327) 5.705 14.614 ( 8.693 -0.000 -20.476) 22.245 15.577 ( 16.772 -0.000 16.005) 23.183 15.669 ( 8.133 -0.000 -16.960) 18.809 15.718 ( 2.405 -0.000 -2.431) 3.420 16.415 ( 4.552 -0.000 2.033) 4.985 16.847 ( -16.910 0.000 0.303) 16.913 16.971 ( -14.861 0.000 -2.300) 15.038 17.391 ( -0.040 -0.000 -11.095) 11.096 17.473 ( 0.592 0.000 12.376) 12.390 18.049 ( -1.814 0.000 -12.262) 12.395 18.184 ( -0.728 0.000 8.424) 8.455 18.380 ( 24.402 -0.000 -10.573) 26.594 18.704 ( 32.457 -0.000 16.767) 36.532 19.215 ( 11.514 -0.000 -14.938) 18.861 19.287 ( 8.584 -0.000 12.386) 15.070 19.635 ( 2.206 -0.000 -3.352) 4.013 19.665 ( 1.810 -0.000 -0.367) 1.847 20.398 ( -12.345 0.000 11.437) 16.828 20.448 ( -27.168 0.000 -17.203) 32.157 20.713 ( -21.266 0.000 16.434) 26.876 21.034 ( 2.394 -0.000 1.544) 2.848 21.382 ( -4.558 0.000 -0.789) 4.625 21.522 ( -3.803 0.000 -0.875) 3.903 22.062 ( -1.465 0.000 -1.804) 2.324 22.127 ( 1.906 -0.000 -3.485) 3.973 22.223 ( -9.195 0.000 6.620) 11.330 22.320 ( -8.127 0.000 -6.908) 10.666 22.644 ( -1.142 0.000 5.649) 5.763 22.766 ( -0.030 -0.000 -4.923) 4.923 23.076 ( 5.478 -0.000 0.061) 5.479 23.078 ( 4.573 -0.000 0.879) 4.657 23.175 ( 20.220 -0.000 3.712) 20.557 23.209 ( 17.528 -0.000 -5.686) 18.427 23.780 ( -5.193 0.000 -4.109) 6.622 23.818 ( -8.380 0.000 2.640) 8.786 24.703 ( 0.753 -0.000 -0.051) 0.755 24.752 ( 3.495 -0.000 -2.121) 4.088 25.444 ( -11.156 0.000 6.726) 13.027 25.473 ( -12.382 0.000 -7.576) 14.516 26.017 ( -0.009 0.000 1.818) 1.818 26.086 ( 1.208 -0.000 3.141) 3.366 26.122 ( 0.437 0.000 3.123) 3.153 26.211 ( 2.152 -0.000 -3.975) 4.521 26.377 ( 0.015 0.000 2.766) 2.766 26.422 ( 3.349 -0.000 -2.779) 4.352 27.034 ( -1.954 0.000 2.218) 2.956 27.351 ( -1.579 0.000 0.984) 1.861 27.394 ( 2.882 -0.000 -2.900) 4.088 27.640 ( -0.471 0.000 -3.202) 3.237 27.701 ( -0.447 0.000 0.518) 0.684 27.837 ( 5.306 -0.000 1.530) 5.523 27.859 ( -0.828 0.000 2.452) 2.588 27.968 ( -0.714 0.000 -0.806) 1.077 29.194 ( -0.714 0.000 1.284) 1.469 29.219 ( 0.174 -0.000 -0.989) 1.005 29.384 ( 0.278 -0.000 0.581) 0.644 29.537 ( 0.357 -0.000 -1.137) 1.191 31.888 ( 0.572 -0.000 -0.239) 0.620 31.926 ( 0.724 -0.000 -0.935) 1.183 31.986 ( -0.433 0.000 5.276) 5.294 32.011 ( -0.666 -0.000 -5.111) 5.155 ======================= Grid point 82 (59/84) ======================= q-point: (-0.19 0.31 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.059 ( -0.000 -56.454 28.060) 63.043 3.093 ( -0.000 -50.623 40.617) 64.903 5.101 ( -0.000 -95.758 36.523) 102.487 5.162 ( 0.000 6.441 -7.562) 9.934 5.372 ( -0.000 3.958 3.922) 5.572 5.592 ( 0.000 -2.004 -2.710) 3.371 6.192 ( 0.000 19.906 7.360) 21.223 6.246 ( 0.000 0.415 -2.694) 2.726 6.639 ( 0.000 14.144 4.181) 14.749 7.105 ( -0.000 -8.180 17.898) 19.678 7.154 ( -0.000 9.241 19.969) 22.004 7.575 ( -0.000 4.908 11.669) 12.659 7.783 ( -0.000 -3.892 -1.199) 4.073 7.915 ( 0.000 15.202 3.355) 15.568 8.458 ( 0.000 5.962 -4.458) 7.445 8.484 ( -0.000 -3.454 4.871) 5.971 8.720 ( -0.000 6.997 22.481) 23.545 9.306 ( 0.000 33.972 -6.097) 34.515 9.552 ( -0.000 -0.574 14.755) 14.766 9.569 ( -0.000 -5.085 0.403) 5.101 10.183 ( 0.000 3.916 -2.048) 4.419 10.445 ( 0.000 21.976 0.165) 21.977 10.532 ( -0.000 -17.653 3.831) 18.064 10.938 ( -0.000 -24.272 -3.099) 24.469 11.545 ( -0.000 3.526 5.305) 6.370 12.295 ( 0.000 46.564 7.158) 47.111 12.647 ( 0.000 -4.628 -18.695) 19.260 12.707 ( 0.000 -8.468 -16.595) 18.631 12.968 ( 0.000 -12.648 -8.424) 15.197 13.190 ( 0.000 5.296 -26.447) 26.972 13.428 ( 0.000 4.218 -8.845) 9.799 13.577 ( 0.000 -0.574 -3.811) 3.854 13.912 ( 0.000 -3.346 -4.514) 5.619 14.152 ( -0.000 -6.049 4.470) 7.522 14.484 ( -0.000 4.091 23.079) 23.439 14.978 ( -0.000 -5.864 -1.484) 6.049 15.502 ( 0.000 0.896 -25.936) 25.952 16.123 ( -0.000 -2.738 6.069) 6.658 16.216 ( -0.000 0.206 16.315) 16.316 16.255 ( -0.000 -0.785 4.243) 4.315 16.446 ( 0.000 -5.594 -8.140) 9.877 16.549 ( 0.000 -2.082 -7.676) 7.954 16.645 ( 0.000 7.734 0.477) 7.749 17.600 ( -0.000 -2.989 5.213) 6.009 17.743 ( -0.000 -0.336 8.919) 8.925 17.779 ( -0.000 -2.174 15.976) 16.123 18.667 ( -0.000 -1.985 -0.783) 2.134 18.801 ( 0.000 -1.230 -5.749) 5.879 19.029 ( -0.000 -0.273 1.228) 1.258 19.127 ( 0.000 10.448 3.757) 11.103 19.256 ( 0.000 2.477 0.215) 2.486 19.822 ( -0.000 -3.506 2.078) 4.075 20.720 ( 0.000 12.840 -0.848) 12.868 20.843 ( -0.000 -1.248 0.241) 1.271 21.111 ( 0.000 -1.491 -14.179) 14.258 21.406 ( 0.000 5.038 -11.804) 12.834 21.484 ( -0.000 0.262 5.198) 5.205 22.077 ( 0.000 -1.222 -9.509) 9.588 22.159 ( -0.000 -3.694 -0.032) 3.694 22.191 ( -0.000 -1.954 -0.528) 2.024 22.244 ( 0.000 -1.200 -16.070) 16.115 22.480 ( 0.000 -2.604 -2.322) 3.488 22.507 ( 0.000 0.065 -0.368) 0.373 22.858 ( -0.000 -2.224 0.351) 2.251 22.965 ( -0.000 -0.378 11.245) 11.251 23.133 ( -0.000 0.312 0.209) 0.375 23.159 ( -0.000 -0.265 0.837) 0.878 23.487 ( 0.000 0.624 -0.738) 0.967 23.821 ( 0.000 -0.535 -11.189) 11.202 24.087 ( 0.000 -3.762 -7.404) 8.305 24.454 ( -0.000 -2.283 7.337) 7.684 24.472 ( -0.000 -0.967 3.967) 4.083 24.526 ( -0.000 -0.036 15.112) 15.112 25.641 ( 0.000 -1.620 -1.551) 2.243 25.883 ( -0.000 4.076 3.068) 5.102 26.092 ( 0.000 2.778 1.231) 3.039 26.264 ( -0.000 0.248 1.148) 1.174 26.421 ( 0.000 1.636 -4.225) 4.531 26.604 ( 0.000 -2.704 -5.013) 5.696 26.650 ( 0.000 1.798 -2.960) 3.463 26.994 ( 0.000 4.318 0.342) 4.331 27.312 ( -0.000 0.789 0.767) 1.101 27.364 ( -0.000 -0.452 3.772) 3.799 27.427 ( -0.000 -5.766 0.008) 5.766 27.549 ( -0.000 -2.306 3.355) 4.071 27.772 ( -0.000 -0.694 1.090) 1.292 27.870 ( 0.000 2.041 0.181) 2.049 27.967 ( 0.000 2.732 -1.926) 3.343 29.245 ( 0.000 -0.113 -1.283) 1.288 29.352 ( 0.000 0.534 -2.010) 2.079 29.405 ( -0.000 0.717 0.718) 1.015 29.550 ( -0.000 -0.814 -0.487) 0.949 31.710 ( -0.000 0.514 2.049) 2.112 31.934 ( -0.000 -2.177 -0.311) 2.199 31.953 ( 0.000 -0.127 -0.589) 0.602 32.335 ( 0.000 -0.432 -3.048) 3.079 ======================= Grid point 83 (60/84) ======================= q-point: (-0.19 0.31 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.763 ( 48.107 -0.000 19.446) 51.888 3.993 ( 39.747 -0.000 14.369) 42.265 4.794 ( -3.497 0.000 6.435) 7.324 5.226 ( -4.823 0.000 1.445) 5.035 5.306 ( 1.460 -0.000 -0.292) 1.489 5.381 ( -3.308 0.000 3.742) 4.995 5.824 ( -19.228 0.000 27.823) 33.821 5.963 ( 38.734 -0.000 14.299) 41.289 6.796 ( 3.293 -0.000 8.254) 8.887 7.439 ( 1.141 -0.000 1.256) 1.697 7.747 ( -12.761 0.000 3.521) 13.238 7.859 ( 24.180 -0.000 1.002) 24.201 8.006 ( -20.757 0.000 5.082) 21.370 8.353 ( -4.061 0.000 -15.305) 15.834 8.861 ( -19.538 0.000 19.307) 27.468 9.209 ( 5.910 -0.000 7.032) 9.186 9.614 ( -26.170 0.000 -0.379) 26.173 9.737 ( 6.146 -0.000 -3.409) 7.028 9.845 ( -21.599 0.000 -4.856) 22.138 10.038 ( -25.836 0.000 1.351) 25.872 10.123 ( 48.560 -0.000 7.120) 49.080 10.507 ( 5.225 -0.000 3.546) 6.315 10.515 ( -10.032 0.000 -2.831) 10.424 10.767 ( 3.650 -0.000 15.673) 16.092 10.787 ( -7.972 0.000 5.583) 9.733 11.063 ( 27.576 -0.000 5.630) 28.145 11.206 ( -9.441 0.000 7.845) 12.275 11.766 ( -5.508 0.000 4.457) 7.085 11.880 ( -15.849 0.000 0.272) 15.851 13.148 ( 0.192 -0.000 -15.838) 15.839 13.432 ( -1.972 0.000 3.347) 3.885 13.879 ( 1.687 -0.000 -0.054) 1.688 14.388 ( -19.572 0.000 -20.712) 28.496 14.529 ( 19.696 -0.000 -10.735) 22.431 14.696 ( -5.030 0.000 0.624) 5.069 14.979 ( 15.794 -0.000 9.479) 18.420 14.996 ( -1.962 0.000 -2.076) 2.857 15.102 ( -2.072 0.000 -1.791) 2.739 16.106 ( 1.067 -0.000 -7.228) 7.307 16.707 ( -4.801 0.000 -9.347) 10.508 17.127 ( 19.854 -0.000 4.418) 20.340 17.140 ( -18.757 0.000 7.114) 20.061 17.447 ( 18.101 -0.000 2.120) 18.224 17.448 ( -17.908 0.000 1.752) 17.993 17.926 ( 17.363 -0.000 0.986) 17.391 18.007 ( 22.955 -0.000 -4.400) 23.373 18.021 ( -11.341 0.000 2.675) 11.652 18.408 ( -28.927 0.000 -10.042) 30.621 19.242 ( -1.964 0.000 6.169) 6.474 19.404 ( -0.970 0.000 -1.540) 1.820 19.724 ( 30.546 -0.000 -23.866) 38.764 19.828 ( -23.641 0.000 -14.299) 27.629 20.457 ( -11.501 0.000 3.013) 11.889 20.668 ( 24.122 -0.000 15.622) 28.739 20.838 ( -29.051 0.000 16.572) 33.445 21.070 ( 7.581 -0.000 3.534) 8.364 21.921 ( -5.431 0.000 -5.448) 7.693 22.026 ( 4.067 -0.000 -6.880) 7.992 22.067 ( 2.504 -0.000 -2.030) 3.224 22.208 ( 2.488 -0.000 -2.480) 3.513 22.479 ( -18.538 0.000 2.706) 18.735 22.493 ( 16.743 -0.000 3.484) 17.101 22.582 ( -4.013 0.000 -0.473) 4.041 22.673 ( -6.208 0.000 -4.721) 7.799 22.746 ( 0.458 -0.000 0.294) 0.545 22.854 ( 7.966 -0.000 -0.085) 7.967 22.868 ( 14.782 -0.000 -3.570) 15.207 22.922 ( -6.539 0.000 -0.819) 6.591 24.163 ( 0.223 -0.000 -6.378) 6.382 24.267 ( 0.062 -0.000 -5.963) 5.963 24.411 ( 1.634 -0.000 5.486) 5.724 24.503 ( -0.327 0.000 3.258) 3.275 25.821 ( 13.371 -0.000 3.513) 13.824 25.918 ( -12.575 0.000 -0.622) 12.590 25.956 ( -7.882 0.000 1.455) 8.015 26.046 ( 4.846 -0.000 4.214) 6.422 26.048 ( -0.605 0.000 -0.903) 1.087 26.076 ( -1.726 0.000 0.596) 1.826 26.460 ( -1.929 0.000 -3.993) 4.434 26.553 ( 3.211 -0.000 -4.713) 5.703 27.211 ( -8.751 0.000 -1.868) 8.948 27.337 ( 6.141 -0.000 -0.713) 6.182 27.424 ( 1.935 -0.000 0.766) 2.081 27.453 ( -1.499 0.000 3.804) 4.089 27.503 ( -0.818 0.000 0.630) 1.033 27.568 ( 1.984 -0.000 3.913) 4.387 27.924 ( 0.222 -0.000 -1.548) 1.564 27.959 ( -3.141 0.000 -1.413) 3.444 29.270 ( 0.770 -0.000 -0.764) 1.085 29.357 ( -1.727 0.000 -2.619) 3.137 29.438 ( -0.793 0.000 -0.987) 1.266 29.468 ( 1.709 -0.000 1.679) 2.396 31.788 ( -2.351 0.000 0.816) 2.488 31.869 ( 3.619 -0.000 0.192) 3.624 32.130 ( -4.903 0.000 -1.591) 5.154 32.148 ( 5.081 -0.000 -1.495) 5.296 ======================= Grid point 85 (61/84) ======================= q-point: (-0.19 0.56 -0.56) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.437 ( 0.000 -2.811 -3.193) 4.254 4.593 ( -0.000 -24.179 0.425) 24.183 5.290 ( -0.000 -9.864 7.922) 12.651 5.522 ( -0.000 -3.664 0.540) 3.703 5.649 ( -0.000 -5.080 6.169) 7.991 6.007 ( 0.000 -7.983 -7.692) 11.086 6.474 ( 0.000 9.231 -10.241) 13.787 6.623 ( -0.000 -0.925 8.739) 8.787 6.964 ( 0.000 7.108 -7.755) 10.520 7.177 ( 0.000 33.550 13.510) 36.168 7.519 ( 0.000 5.024 -7.897) 9.360 7.998 ( -0.000 6.714 7.007) 9.704 8.331 ( -0.000 -9.098 17.025) 19.304 8.751 ( -0.000 -3.079 27.402) 27.575 8.770 ( -0.000 -17.604 6.903) 18.909 9.212 ( -0.000 -12.100 51.472) 52.875 9.307 ( 0.000 21.992 7.696) 23.300 9.561 ( -0.000 -9.654 47.418) 48.390 9.920 ( 0.000 -2.888 -13.325) 13.634 10.307 ( -0.000 3.327 32.038) 32.210 10.341 ( -0.000 -10.737 27.129) 29.176 10.460 ( -0.000 2.547 10.987) 11.278 11.031 ( -0.000 -10.556 5.112) 11.729 11.162 ( -0.000 -28.303 -16.369) 32.695 11.360 ( 0.000 4.165 -16.317) 16.840 11.476 ( 0.000 -0.009 -33.580) 33.580 11.866 ( 0.000 13.363 -48.903) 50.696 11.942 ( 0.000 4.272 -12.744) 13.441 12.024 ( 0.000 10.991 -26.118) 28.336 12.076 ( 0.000 4.730 -16.838) 17.490 12.545 ( -0.000 33.644 27.214) 43.272 13.765 ( -0.000 -4.431 8.080) 9.215 13.876 ( -0.000 0.378 1.507) 1.554 14.141 ( 0.000 -2.882 -11.004) 11.375 14.515 ( 0.000 -5.215 -9.778) 11.082 14.986 ( 0.000 -6.951 -14.707) 16.267 15.417 ( -0.000 0.314 21.857) 21.859 15.925 ( 0.000 7.510 -5.989) 9.605 16.129 ( 0.000 0.009 -14.095) 14.095 16.359 ( -0.000 -11.355 -4.119) 12.079 16.521 ( -0.000 0.799 7.294) 7.337 16.786 ( -0.000 -1.194 2.702) 2.954 17.093 ( -0.000 -1.229 21.084) 21.120 17.603 ( 0.000 1.055 -6.333) 6.420 17.960 ( -0.000 -2.481 8.334) 8.696 18.351 ( 0.000 1.098 -14.709) 14.750 18.842 ( 0.000 5.414 -2.418) 5.929 18.891 ( -0.000 -1.149 5.563) 5.680 19.202 ( -0.000 -2.230 35.966) 36.035 19.222 ( -0.000 -0.583 10.230) 10.247 19.450 ( -0.000 0.342 3.506) 3.523 19.818 ( 0.000 1.962 -1.941) 2.760 20.265 ( 0.000 -0.782 -21.492) 21.506 20.381 ( 0.000 1.570 -24.837) 24.887 20.567 ( 0.000 9.199 0.971) 9.250 20.994 ( -0.000 -3.642 0.300) 3.654 21.442 ( 0.000 1.031 -8.549) 8.611 21.614 ( 0.000 -1.604 -10.636) 10.757 21.964 ( -0.000 1.028 7.479) 7.550 22.113 ( 0.000 1.111 -2.083) 2.361 22.238 ( 0.000 -2.752 -2.921) 4.013 22.336 ( 0.000 -1.342 -6.691) 6.825 22.520 ( -0.000 1.243 4.412) 4.584 22.836 ( 0.000 -3.275 -4.741) 5.762 23.107 ( -0.000 -0.356 0.252) 0.436 23.120 ( -0.000 0.095 0.263) 0.280 23.438 ( 0.000 0.070 -0.688) 0.691 23.487 ( -0.000 -0.195 8.504) 8.506 23.537 ( 0.000 0.347 -3.041) 3.061 23.844 ( 0.000 -1.320 -7.676) 7.789 24.675 ( -0.000 0.118 4.087) 4.089 24.768 ( -0.000 -1.451 3.852) 4.116 25.104 ( -0.000 -0.166 12.048) 12.049 25.502 ( 0.000 0.493 -6.199) 6.219 25.967 ( -0.000 2.277 4.109) 4.698 26.087 ( 0.000 0.455 -0.153) 0.480 26.151 ( 0.000 0.661 -5.133) 5.176 26.318 ( -0.000 1.018 2.229) 2.451 26.345 ( 0.000 -1.083 -7.025) 7.108 26.510 ( 0.000 -0.454 -2.987) 3.021 26.976 ( -0.000 0.509 1.435) 1.523 27.321 ( -0.000 1.057 0.955) 1.424 27.473 ( 0.000 -1.997 -2.389) 3.114 27.593 ( -0.000 -2.159 3.875) 4.436 27.706 ( -0.000 0.871 1.029) 1.349 27.831 ( 0.000 1.516 0.761) 1.696 27.873 ( -0.000 0.618 1.445) 1.572 27.917 ( -0.000 -0.500 2.762) 2.807 29.179 ( 0.000 -0.088 -0.978) 0.982 29.255 ( 0.000 0.034 -2.118) 2.118 29.399 ( 0.000 1.395 0.133) 1.401 29.547 ( -0.000 -1.452 -0.946) 1.733 31.860 ( -0.000 0.322 5.614) 5.623 31.916 ( 0.000 0.287 -0.866) 0.912 31.941 ( 0.000 -0.930 -0.852) 1.261 32.134 ( 0.000 -0.311 -6.568) 6.575 ======================= Grid point 86 (62/84) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.811 ( 0.000 -0.000 -39.247) 39.247 4.092 ( 0.000 -0.000 -66.379) 66.379 4.899 ( 0.000 -0.000 -7.642) 7.642 5.219 ( 0.000 -0.000 -1.641) 1.641 5.260 ( 0.000 -0.000 -5.837) 5.837 5.585 ( 0.000 -0.000 -1.856) 1.856 6.232 ( -0.000 0.000 3.446) 3.446 6.899 ( -0.000 0.000 2.930) 2.930 7.058 ( 0.000 -0.000 -10.776) 10.776 7.546 ( -0.000 0.000 7.533) 7.533 7.574 ( -0.000 0.000 24.709) 24.709 7.899 ( 0.000 -0.000 -35.858) 35.858 8.376 ( 0.000 -0.000 -4.627) 4.627 8.770 ( 0.000 -0.000 -35.885) 35.885 8.907 ( 0.000 -0.000 -34.097) 34.097 9.508 ( 0.000 -0.000 -51.924) 51.924 9.515 ( -0.000 0.000 9.711) 9.711 9.684 ( -0.000 0.000 14.263) 14.263 10.005 ( 0.000 -0.000 -19.635) 19.635 10.131 ( -0.000 0.000 1.548) 1.548 10.161 ( -0.000 0.000 15.528) 15.528 10.423 ( 0.000 -0.000 -35.323) 35.323 10.648 ( 0.000 -0.000 -12.013) 12.013 11.146 ( -0.000 0.000 27.051) 27.051 11.150 ( 0.000 -0.000 -2.726) 2.726 11.503 ( -0.000 0.000 38.253) 38.253 11.839 ( -0.000 0.000 6.971) 6.971 11.971 ( -0.000 0.000 14.578) 14.578 12.130 ( -0.000 0.000 21.180) 21.180 12.924 ( 0.000 -0.000 -6.892) 6.892 13.317 ( -0.000 0.000 66.064) 66.064 13.604 ( 0.000 -0.000 -0.805) 0.805 13.863 ( 0.000 -0.000 -2.380) 2.380 14.119 ( 0.000 -0.000 -0.447) 0.447 14.315 ( 0.000 -0.000 -15.836) 15.836 14.711 ( -0.000 0.000 12.363) 12.363 15.430 ( 0.000 -0.000 -20.071) 20.071 15.752 ( -0.000 0.000 3.963) 3.963 16.128 ( -0.000 0.000 13.240) 13.240 16.557 ( -0.000 0.000 5.517) 5.517 16.572 ( 0.000 -0.000 -5.408) 5.408 16.599 ( 0.000 -0.000 -8.358) 8.358 17.047 ( 0.000 -0.000 -20.200) 20.200 17.687 ( -0.000 0.000 6.179) 6.179 17.781 ( 0.000 -0.000 -10.042) 10.042 18.404 ( -0.000 0.000 11.612) 11.612 18.568 ( 0.000 -0.000 -3.291) 3.291 19.061 ( 0.000 -0.000 -35.728) 35.728 19.187 ( 0.000 -0.000 -8.516) 8.516 19.239 ( -0.000 0.000 5.744) 5.744 19.472 ( 0.000 -0.000 -3.440) 3.440 19.931 ( 0.000 -0.000 -2.177) 2.177 20.213 ( -0.000 0.000 24.743) 24.743 20.432 ( -0.000 0.000 17.045) 17.045 20.791 ( -0.000 0.000 16.925) 16.925 21.086 ( -0.000 0.000 0.738) 0.738 21.479 ( -0.000 0.000 11.525) 11.525 21.516 ( -0.000 0.000 4.791) 4.791 22.027 ( 0.000 -0.000 -7.504) 7.504 22.028 ( 0.000 -0.000 -0.911) 0.911 22.142 ( 0.000 -0.000 -1.010) 1.010 22.252 ( -0.000 0.000 5.849) 5.849 22.655 ( 0.000 -0.000 -4.734) 4.734 22.755 ( -0.000 0.000 5.241) 5.241 23.129 ( -0.000 0.000 0.309) 0.309 23.133 ( -0.000 0.000 0.380) 0.380 23.471 ( -0.000 0.000 3.371) 3.371 23.477 ( 0.000 -0.000 -11.042) 11.042 23.493 ( -0.000 0.000 0.177) 0.177 23.740 ( -0.000 0.000 5.229) 5.229 24.657 ( 0.000 -0.000 -4.688) 4.688 24.707 ( 0.000 -0.000 -6.498) 6.498 25.111 ( 0.000 -0.000 -12.392) 12.392 25.465 ( -0.000 0.000 5.414) 5.414 26.070 ( -0.000 0.000 3.410) 3.410 26.158 ( 0.000 -0.000 -2.793) 2.793 26.197 ( -0.000 0.000 5.626) 5.626 26.252 ( -0.000 0.000 7.401) 7.401 26.388 ( 0.000 -0.000 -3.341) 3.341 26.465 ( -0.000 0.000 5.630) 5.630 27.051 ( -0.000 0.000 1.822) 1.822 27.358 ( -0.000 0.000 0.586) 0.586 27.363 ( 0.000 -0.000 -2.679) 2.679 27.552 ( 0.000 -0.000 -4.819) 4.819 27.659 ( 0.000 -0.000 -3.597) 3.597 27.902 ( 0.000 -0.000 -4.319) 4.319 27.907 ( -0.000 0.000 0.119) 0.119 27.917 ( -0.000 0.000 3.385) 3.385 29.212 ( -0.000 0.000 0.229) 0.229 29.233 ( -0.000 0.000 2.894) 2.894 29.411 ( -0.000 0.000 1.650) 1.650 29.516 ( 0.000 -0.000 -1.052) 1.052 31.880 ( 0.000 -0.000 -5.555) 5.555 31.883 ( 0.000 -0.000 -0.465) 0.465 31.934 ( -0.000 0.000 0.271) 0.271 32.115 ( -0.000 0.000 6.544) 6.544 ======================= Grid point 87 (63/84) ======================= q-point: (-0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.731 ( -0.829 -9.912 -3.282) 10.474 4.731 ( 0.829 9.912 -3.282) 10.474 5.146 ( -17.153 1.620 -15.135) 22.933 5.146 ( 17.153 -1.620 -15.135) 22.933 5.555 ( 0.476 -4.454 -5.889) 7.399 5.555 ( -0.476 4.454 -5.889) 7.399 6.569 ( -12.471 -5.250 -1.564) 13.622 6.569 ( 12.471 5.250 -1.564) 13.622 7.044 ( 12.890 -12.226 7.393) 19.243 7.044 ( -12.890 12.226 7.393) 19.243 7.744 ( -6.834 -29.167 15.454) 33.709 7.744 ( 6.834 29.167 15.454) 33.709 8.972 ( -2.198 -13.135 -25.658) 28.909 8.972 ( 2.198 13.135 -25.658) 28.909 9.366 ( 2.372 -11.656 -33.638) 35.680 9.366 ( -2.372 11.656 -33.638) 35.680 9.657 ( 17.743 -14.236 -7.084) 23.826 9.657 ( -17.743 14.236 -7.084) 23.826 9.954 ( 4.443 -14.281 4.234) 15.544 9.954 ( -4.443 14.281 4.234) 15.544 10.430 ( -2.901 -3.620 -9.231) 10.331 10.430 ( 2.901 3.620 -9.231) 10.331 10.906 ( -17.811 -8.181 -8.638) 21.419 10.906 ( 17.811 8.181 -8.638) 21.419 11.213 ( -2.909 -4.593 7.278) 9.085 11.213 ( 2.909 4.593 7.278) 9.085 11.877 ( -4.735 -2.513 -3.492) 6.397 11.877 ( 4.735 2.513 -3.492) 6.397 12.342 ( -6.843 -15.978 17.256) 24.493 12.342 ( 6.843 15.978 17.256) 24.493 13.458 ( 4.106 -24.313 -4.391) 25.046 13.458 ( -4.106 24.313 -4.391) 25.046 14.008 ( 7.167 -8.162 0.873) 10.897 14.008 ( -7.167 8.162 0.873) 10.897 14.448 ( -11.105 -3.491 17.016) 20.617 14.448 ( 11.105 3.491 17.016) 20.617 15.384 ( 9.377 -6.046 -9.659) 14.757 15.384 ( -9.377 6.046 -9.659) 14.757 16.002 ( -0.710 -11.845 6.652) 13.604 16.002 ( 0.710 11.845 6.652) 13.604 17.232 ( -13.003 -0.039 13.236) 18.555 17.232 ( 13.003 0.039 13.236) 18.555 17.372 ( -7.127 -0.646 -3.345) 7.900 17.372 ( 7.127 0.646 -3.345) 7.900 17.919 ( -2.067 -4.643 -0.339) 5.093 17.919 ( 2.067 4.643 -0.339) 5.093 18.136 ( -4.850 -2.429 -3.179) 6.287 18.136 ( 4.850 2.429 -3.179) 6.287 19.076 ( -9.279 -1.851 8.329) 12.606 19.076 ( 9.279 1.851 8.329) 12.606 19.630 ( 1.227 -1.510 -3.178) 3.726 19.630 ( -1.227 1.510 -3.178) 3.726 20.705 ( 1.254 -8.285 -0.094) 8.380 20.705 ( -1.254 8.285 -0.094) 8.380 21.204 ( -7.239 -3.826 2.555) 8.577 21.204 ( 7.239 3.826 2.555) 8.577 21.869 ( -16.843 -1.446 -4.045) 17.382 21.869 ( 16.843 1.446 -4.045) 17.382 22.098 ( -7.311 0.031 -3.337) 8.037 22.098 ( 7.311 -0.031 -3.337) 8.037 22.425 ( -16.058 0.465 7.336) 17.660 22.425 ( 16.058 -0.465 7.336) 17.660 22.636 ( -9.770 0.039 -2.930) 10.201 22.636 ( 9.770 -0.039 -2.930) 10.201 22.736 ( -2.976 -0.902 -0.758) 3.200 22.736 ( 2.976 0.902 -0.758) 3.200 22.832 ( -9.393 -0.749 2.648) 9.788 22.832 ( 9.393 0.749 2.648) 9.788 23.971 ( -1.857 -1.755 4.510) 5.183 23.971 ( 1.857 1.755 4.510) 5.183 24.644 ( -0.993 -0.350 -3.624) 3.774 24.644 ( 0.993 0.350 -3.624) 3.774 25.906 ( -7.766 -0.964 0.599) 7.848 25.906 ( 7.766 0.964 0.599) 7.848 26.025 ( -6.485 -1.283 -1.464) 6.771 26.025 ( 6.485 1.283 -1.464) 6.771 26.159 ( 2.105 -2.196 -0.398) 3.068 26.159 ( -2.105 2.196 -0.398) 3.068 26.265 ( -0.651 -1.136 4.160) 4.361 26.265 ( 0.651 1.136 4.160) 4.361 27.204 ( -1.665 -1.485 1.204) 2.535 27.204 ( 1.665 1.485 1.204) 2.535 27.516 ( -5.945 -0.066 -0.905) 6.014 27.516 ( 5.945 0.066 -0.905) 6.014 27.676 ( -1.382 -0.344 -2.323) 2.725 27.676 ( 1.382 0.344 -2.323) 2.725 27.921 ( 0.558 -0.846 -1.084) 1.483 27.921 ( -0.558 0.846 -1.084) 1.483 29.227 ( -0.652 -0.224 1.801) 1.928 29.227 ( 0.652 0.224 1.801) 1.928 29.458 ( 0.389 -2.473 0.040) 2.504 29.458 ( -0.389 2.473 0.040) 2.504 31.870 ( 0.932 -0.892 -1.386) 1.894 31.870 ( -0.932 0.892 -1.386) 1.894 32.043 ( -2.366 0.514 2.422) 3.425 32.043 ( 2.366 -0.514 2.422) 3.425 ======================= Grid point 92 (64/84) ======================= q-point: (-0.21 0.21 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.211 ( -21.249 -25.833 -0.000) 33.449 4.232 ( -3.360 -24.222 -0.000) 24.454 4.714 ( 33.151 1.461 -0.000) 33.184 4.808 ( 23.205 -2.611 -0.000) 23.351 5.385 ( 1.994 0.302 -0.000) 2.017 5.408 ( 5.743 7.097 0.000) 9.129 5.687 ( -1.852 23.293 0.000) 23.367 6.540 ( 0.619 19.492 0.000) 19.502 6.626 ( 4.843 -15.736 -0.000) 16.465 7.094 ( -39.634 -1.859 0.000) 39.678 7.623 ( -5.600 -24.607 -0.000) 25.237 7.756 ( 18.529 3.507 -0.000) 18.858 8.229 ( -9.256 5.852 0.000) 10.951 8.389 ( 4.543 3.465 0.000) 5.714 8.514 ( -2.399 11.296 0.000) 11.548 8.792 ( -39.568 -7.629 0.000) 40.296 8.967 ( -40.000 -5.798 0.000) 40.418 8.986 ( -31.512 -2.469 0.000) 31.608 9.262 ( 7.191 -3.124 -0.000) 7.840 9.607 ( -5.329 -4.010 -0.000) 6.669 10.180 ( -1.907 -0.761 0.000) 2.054 10.276 ( -4.521 1.702 0.000) 4.831 10.905 ( -2.614 -12.966 -0.000) 13.227 10.946 ( 20.192 6.686 -0.000) 21.270 11.218 ( 10.131 2.569 -0.000) 10.452 11.482 ( 61.651 -3.411 -0.000) 61.745 11.549 ( -13.896 16.124 0.000) 21.286 11.934 ( 38.245 10.072 -0.000) 39.549 12.140 ( 17.272 12.057 0.000) 21.064 13.316 ( -1.675 -3.463 -0.000) 3.847 13.383 ( -0.017 6.898 0.000) 6.898 13.875 ( 6.415 -7.926 -0.000) 10.197 14.203 ( -18.606 1.022 0.000) 18.634 14.442 ( -13.521 0.622 0.000) 13.535 14.910 ( -13.856 -6.046 0.000) 15.118 15.072 ( 6.762 -3.805 -0.000) 7.759 15.155 ( 20.933 2.032 -0.000) 21.031 15.230 ( 22.185 -0.746 -0.000) 22.198 16.291 ( 2.243 7.485 0.000) 7.814 16.560 ( -23.211 0.797 0.000) 23.225 16.686 ( 0.590 -10.936 -0.000) 10.952 16.956 ( -25.287 -0.466 0.000) 25.292 17.465 ( 15.217 -0.013 -0.000) 15.217 17.721 ( 7.526 -0.116 -0.000) 7.527 17.727 ( -20.355 -0.777 0.000) 20.370 17.909 ( -19.900 -5.612 0.000) 20.676 18.293 ( 20.777 0.179 -0.000) 20.778 18.580 ( 17.353 9.737 0.000) 19.899 19.164 ( -1.873 2.318 0.000) 2.980 19.269 ( -36.713 0.502 0.000) 36.717 19.368 ( -5.733 -2.298 0.000) 6.176 20.003 ( -11.426 -1.231 0.000) 11.492 20.560 ( -5.046 8.308 0.000) 9.721 20.743 ( 18.581 0.427 -0.000) 18.586 20.769 ( 11.547 -1.943 -0.000) 11.710 21.347 ( 37.521 -0.198 -0.000) 37.521 21.809 ( -11.575 1.504 0.000) 11.672 22.037 ( -20.650 0.590 0.000) 20.658 22.156 ( 2.972 -0.801 -0.000) 3.078 22.166 ( 2.281 0.196 -0.000) 2.289 22.220 ( 0.035 -2.904 -0.000) 2.904 22.511 ( -2.737 -0.351 0.000) 2.759 22.607 ( -4.648 0.847 0.000) 4.724 22.782 ( -7.419 -0.591 0.000) 7.442 22.797 ( 12.609 -1.176 -0.000) 12.664 22.819 ( 8.555 -1.837 -0.000) 8.750 22.982 ( 6.481 -0.999 -0.000) 6.558 23.184 ( 12.641 -1.329 -0.000) 12.710 24.293 ( 0.034 2.334 0.000) 2.334 24.332 ( -1.117 -0.611 0.000) 1.274 24.344 ( 0.653 -0.553 -0.000) 0.856 24.405 ( -2.709 -1.728 -0.000) 3.213 25.309 ( -32.717 -0.323 0.000) 32.719 25.844 ( -2.201 1.053 0.000) 2.440 25.887 ( -7.078 -1.382 0.000) 7.212 25.989 ( -0.064 1.584 0.000) 1.585 26.155 ( 5.367 1.374 -0.000) 5.540 26.325 ( 15.015 0.198 -0.000) 15.016 26.471 ( -1.840 0.955 0.000) 2.073 26.652 ( 2.967 -1.677 -0.000) 3.408 27.076 ( -7.531 2.410 0.000) 7.907 27.362 ( -2.596 -0.602 0.000) 2.665 27.406 ( -4.048 1.122 0.000) 4.201 27.439 ( 5.132 -2.610 -0.000) 5.757 27.486 ( 3.472 -0.484 -0.000) 3.506 27.647 ( 5.459 0.048 -0.000) 5.459 27.901 ( -3.462 0.488 0.000) 3.496 27.951 ( -0.136 1.098 0.000) 1.106 29.310 ( 0.856 1.683 0.000) 1.888 29.322 ( -2.374 -0.978 0.000) 2.568 29.429 ( -0.750 -0.595 -0.000) 0.957 29.502 ( 2.611 0.019 -0.000) 2.611 31.737 ( -2.570 0.760 0.000) 2.680 31.923 ( 3.035 -1.588 -0.000) 3.426 32.050 ( -4.423 0.188 0.000) 4.427 32.266 ( 4.820 -0.267 -0.000) 4.828 ======================= Grid point 93 (65/84) ======================= q-point: (-0.21 0.46 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.504 ( 1.317 -0.000 1.583) 2.059 5.078 ( 32.094 -0.000 26.716) 41.759 5.138 ( 7.764 -0.000 -0.150) 7.766 5.256 ( 9.496 -0.000 2.212) 9.750 5.297 ( 3.892 -0.000 6.596) 7.659 5.439 ( 2.764 -0.000 3.610) 4.547 6.116 ( -12.297 0.000 29.533) 31.990 6.437 ( -1.365 0.000 -2.070) 2.480 7.018 ( 20.988 -0.000 -1.713) 21.058 7.149 ( -32.685 0.000 7.322) 33.495 7.740 ( -7.938 0.000 -29.601) 30.646 8.079 ( 4.427 -0.000 29.981) 30.306 8.325 ( 18.838 -0.000 4.372) 19.339 8.451 ( 0.470 0.000 34.902) 34.906 8.723 ( -24.434 0.000 8.915) 26.010 8.857 ( -20.449 0.000 -5.338) 21.135 9.271 ( -25.039 0.000 13.375) 28.387 9.481 ( -13.191 0.000 32.575) 35.144 9.696 ( -19.580 0.000 6.750) 20.711 10.061 ( 3.993 -0.000 9.258) 10.082 10.307 ( -7.856 0.000 9.776) 12.541 10.589 ( -9.189 0.000 10.498) 13.951 10.752 ( 23.024 -0.000 -7.787) 24.305 11.189 ( -0.746 0.000 5.730) 5.779 11.315 ( 32.158 -0.000 -8.966) 33.384 11.317 ( -11.644 0.000 35.736) 37.585 11.701 ( 28.869 -0.000 -4.222) 29.176 11.704 ( -5.069 0.000 0.593) 5.104 11.932 ( 16.614 -0.000 -5.071) 17.371 12.693 ( 0.943 -0.000 -30.668) 30.683 13.329 ( -21.383 0.000 -38.980) 44.460 13.526 ( 1.929 -0.000 6.815) 7.082 13.931 ( 0.519 -0.000 3.086) 3.129 14.645 ( 4.726 -0.000 -14.005) 14.781 14.666 ( -1.407 0.000 10.524) 10.617 14.718 ( -3.060 0.000 -12.795) 13.156 15.071 ( 9.352 -0.000 -4.569) 10.409 15.687 ( 22.619 -0.000 12.091) 25.648 15.951 ( 2.062 -0.000 -10.356) 10.559 16.500 ( 2.214 -0.000 -5.872) 6.275 17.023 ( -12.544 0.000 11.864) 17.266 17.099 ( -22.532 0.000 5.233) 23.132 17.147 ( -23.810 0.000 -16.367) 28.893 17.483 ( 10.018 -0.000 0.177) 10.020 17.993 ( -6.263 0.000 4.739) 7.854 18.031 ( 4.702 -0.000 5.300) 7.086 18.263 ( 13.849 -0.000 -2.084) 14.005 18.332 ( 23.354 -0.000 -9.040) 25.043 19.055 ( -9.443 0.000 -4.207) 10.338 19.348 ( -1.628 0.000 7.338) 7.516 19.650 ( -0.740 0.000 3.112) 3.199 19.777 ( 25.627 -0.000 -24.957) 35.772 20.291 ( -17.618 0.000 8.726) 19.661 20.605 ( -20.964 0.000 10.856) 23.608 20.895 ( 1.151 -0.000 0.547) 1.274 21.346 ( -0.717 -0.000 -11.807) 11.829 21.867 ( 0.227 -0.000 -11.364) 11.367 21.918 ( -6.191 0.000 -3.455) 7.090 22.085 ( 2.958 -0.000 8.435) 8.938 22.205 ( 2.511 -0.000 -2.552) 3.581 22.275 ( -4.160 0.000 5.149) 6.619 22.396 ( 3.167 -0.000 -3.286) 4.564 22.520 ( -2.847 0.000 1.123) 3.060 22.722 ( -7.804 0.000 -2.866) 8.313 22.851 ( 5.057 -0.000 -0.427) 5.075 22.858 ( 11.588 -0.000 2.081) 11.774 22.995 ( 6.202 -0.000 -0.203) 6.205 23.095 ( 15.403 -0.000 -4.615) 16.079 24.034 ( -0.246 -0.000 -6.364) 6.369 24.063 ( -5.857 0.000 -7.702) 9.676 24.563 ( -0.537 0.000 4.463) 4.495 24.576 ( 3.031 -0.000 5.804) 6.547 25.514 ( -24.296 0.000 6.832) 25.238 25.868 ( -9.636 0.000 -1.826) 9.807 25.911 ( -2.373 0.000 2.870) 3.724 25.997 ( 2.488 -0.000 0.203) 2.496 26.223 ( 3.773 -0.000 3.485) 5.136 26.288 ( 3.761 -0.000 -4.886) 6.166 26.352 ( 6.868 -0.000 -1.434) 7.016 26.471 ( 2.092 -0.000 -8.397) 8.654 27.038 ( -5.673 0.000 -0.074) 5.674 27.386 ( -4.255 0.000 0.546) 4.290 27.427 ( 5.291 -0.000 -2.052) 5.675 27.530 ( -1.096 0.000 5.950) 6.051 27.605 ( 4.924 -0.000 3.459) 6.018 27.696 ( 3.064 -0.000 1.222) 3.299 27.871 ( -2.872 0.000 -0.597) 2.934 27.900 ( -0.401 0.000 0.615) 0.734 29.264 ( -1.934 0.000 -2.564) 3.212 29.266 ( 0.860 -0.000 -1.289) 1.549 29.403 ( -0.301 0.000 -1.209) 1.246 29.530 ( 1.689 -0.000 0.677) 1.819 31.783 ( -1.254 0.000 2.563) 2.853 31.927 ( 2.268 -0.000 -0.446) 2.311 32.010 ( -3.463 0.000 -1.564) 3.800 32.183 ( 3.455 -0.000 -3.842) 5.167 ======================= Grid point 101 (66/84) ======================= q-point: (-0.23 0.35 -0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 192 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.172 ( -11.599 -42.042 30.285) 53.097 4.225 ( -5.822 -39.120 11.313) 41.137 5.052 ( 1.110 0.679 -0.439) 1.373 5.241 ( 4.445 6.864 8.857) 12.055 5.556 ( 8.616 0.244 -0.967) 8.674 5.683 ( 2.742 19.387 9.621) 21.817 5.862 ( 23.275 8.006 6.264) 25.398 6.393 ( -10.144 11.019 -2.512) 15.186 6.680 ( -6.120 2.929 11.752) 13.570 6.986 ( 8.419 -19.900 20.216) 29.590 7.453 ( -19.596 -31.048 10.110) 38.081 7.790 ( -7.327 -6.684 0.827) 9.952 8.043 ( -28.930 3.120 6.430) 29.800 8.076 ( -19.551 2.599 8.436) 21.452 8.377 ( -10.754 4.227 -2.696) 11.865 8.551 ( 4.233 -1.120 2.516) 5.050 8.675 ( 6.008 15.969 8.432) 19.032 8.704 ( -8.374 2.436 11.580) 14.496 9.495 ( -1.427 6.633 1.777) 7.014 9.588 ( -0.211 -5.335 13.493) 14.511 10.141 ( -0.965 0.410 -0.227) 1.073 10.222 ( -2.048 2.300 2.351) 3.875 10.890 ( -1.310 -13.664 2.706) 13.991 11.265 ( -0.741 35.008 8.876) 36.123 11.330 ( 6.828 4.515 1.535) 8.329 11.438 ( -1.326 -0.228 4.041) 4.259 12.362 ( 32.309 -3.431 -12.894) 34.956 12.584 ( 24.731 -2.994 -12.353) 27.806 12.606 ( 33.504 7.633 -14.458) 37.280 13.179 ( -1.130 0.399 -10.994) 11.059 13.396 ( -1.432 0.101 -2.691) 3.050 13.676 ( -12.055 4.307 -16.622) 20.980 13.935 ( 3.559 -3.099 -5.022) 6.891 14.341 ( -3.454 -2.509 11.173) 11.961 14.530 ( -15.878 -0.394 2.034) 16.012 15.123 ( 1.922 -7.107 -2.204) 7.685 15.335 ( 13.400 1.485 -16.052) 20.962 15.904 ( 22.880 -2.969 10.079) 25.177 16.271 ( 3.127 8.647 -5.181) 10.554 16.330 ( -10.398 0.344 13.630) 17.147 16.518 ( -20.481 -0.604 3.822) 20.843 16.676 ( 0.552 -10.318 -3.478) 10.902 16.942 ( -25.709 -0.777 -12.655) 28.666 17.675 ( 5.917 0.079 -0.851) 5.979 17.743 ( -5.382 -2.310 4.586) 7.438 17.886 ( -3.928 -2.266 14.233) 14.938 18.651 ( 15.174 -0.642 -4.445) 15.825 18.824 ( 5.879 9.041 0.771) 10.812 18.827 ( -9.470 0.831 4.571) 10.548 19.206 ( -11.793 -0.757 4.563) 12.667 19.207 ( -2.952 0.422 4.438) 5.346 19.896 ( -2.883 -1.391 0.583) 3.254 20.486 ( -2.585 9.958 0.670) 10.310 20.789 ( 14.205 -0.259 -13.548) 19.632 20.926 ( 7.779 -0.767 -6.452) 10.136 21.477 ( -10.244 1.446 -8.909) 13.653 21.684 ( -16.367 0.792 3.122) 16.681 22.089 ( 5.306 0.034 -7.197) 8.942 22.095 ( 6.146 0.505 -6.628) 9.053 22.214 ( 0.948 -3.058 -0.250) 3.211 22.292 ( 1.924 -0.448 -2.221) 2.972 22.497 ( 0.954 -0.001 -0.899) 1.311 22.583 ( 8.797 -2.594 3.686) 9.884 22.638 ( 4.048 -0.669 1.960) 4.546 22.912 ( 3.526 -3.333 0.500) 4.878 23.046 ( 7.870 0.277 0.023) 7.875 23.086 ( 4.256 -0.435 0.055) 4.279 23.389 ( 8.816 -0.379 -1.237) 8.911 24.065 ( -11.760 -0.975 -11.182) 16.257 24.168 ( -1.607 -0.265 -7.369) 7.547 24.453 ( 0.202 -0.760 5.139) 5.199 24.485 ( 1.253 -0.987 7.537) 7.704 24.803 ( -24.139 -0.118 11.354) 26.676 25.730 ( -6.189 -0.843 -1.467) 6.416 25.830 ( -1.607 2.213 2.656) 3.812 26.028 ( 1.190 1.802 1.890) 2.869 26.241 ( 2.298 0.201 0.855) 2.461 26.401 ( -0.977 1.135 -4.039) 4.307 26.543 ( 7.104 0.659 -1.322) 7.256 26.640 ( 1.244 -1.232 -5.253) 5.537 26.960 ( -3.887 2.790 0.584) 4.820 27.317 ( -2.140 0.437 0.258) 2.199 27.387 ( -1.408 -0.046 3.848) 4.098 27.515 ( 2.862 -4.299 -0.703) 5.212 27.577 ( 1.533 -1.325 3.549) 4.086 27.749 ( 3.315 0.028 1.081) 3.487 27.838 ( -1.945 1.833 -0.097) 2.675 27.923 ( -0.475 1.738 -1.749) 2.511 29.264 ( -1.398 -0.393 -1.606) 2.165 29.318 ( 0.517 1.564 -0.743) 1.807 29.414 ( -0.243 -0.595 -0.519) 0.826 29.548 ( 1.447 -0.404 0.177) 1.513 31.714 ( -1.280 0.447 1.851) 2.294 31.963 ( 0.886 -1.486 -0.539) 1.812 31.974 ( -1.720 -0.039 -0.704) 1.859 32.316 ( 2.623 -0.294 -2.814) 3.858 ======================= Grid point 104 (67/84) ======================= q-point: ( 0.77 -0.40 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.443 ( -0.585 -0.000 -5.012) 5.046 4.993 ( -7.335 0.000 -2.181) 7.652 5.350 ( 1.311 -0.000 -1.213) 1.786 5.548 ( 2.659 -0.000 1.555) 3.080 5.641 ( 8.300 -0.000 4.063) 9.241 6.154 ( 15.295 -0.000 7.491) 17.031 6.202 ( 4.267 -0.000 -14.650) 15.259 6.518 ( 3.284 -0.000 20.328) 20.592 6.831 ( -1.025 -0.000 -23.961) 23.982 6.954 ( -21.632 0.000 13.647) 25.577 7.546 ( 22.356 -0.000 -0.501) 22.361 7.783 ( -16.624 0.000 -8.894) 18.854 8.619 ( -13.506 0.000 24.389) 27.879 8.860 ( 9.315 -0.000 7.035) 11.673 9.019 ( -14.060 0.000 29.825) 32.973 9.223 ( -12.739 0.000 3.598) 13.237 9.290 ( -1.797 0.000 41.130) 41.169 9.705 ( -2.599 0.000 38.029) 38.118 10.032 ( -5.302 0.000 -8.946) 10.399 10.101 ( 6.803 -0.000 30.785) 31.528 10.534 ( -7.322 0.000 20.263) 21.546 10.753 ( -4.215 0.000 29.912) 30.207 11.026 ( 17.059 -0.000 -13.942) 22.031 11.218 ( -7.669 0.000 7.568) 10.775 11.332 ( 9.395 -0.000 -30.447) 31.864 11.505 ( 4.085 -0.000 -26.561) 26.874 11.642 ( 0.296 -0.000 -5.145) 5.154 11.863 ( 1.299 -0.000 -21.739) 21.777 11.956 ( 3.826 -0.000 -20.610) 20.962 12.119 ( -16.851 0.000 -35.768) 39.539 12.218 ( -4.198 0.000 25.674) 26.015 13.752 ( 3.542 -0.000 7.674) 8.452 13.970 ( -6.575 0.000 4.133) 7.766 14.190 ( -3.130 0.000 -14.358) 14.695 14.561 ( 2.369 -0.000 -11.466) 11.708 14.971 ( 9.351 -0.000 -10.806) 14.290 15.231 ( 12.290 -0.000 15.748) 19.976 15.818 ( 2.649 -0.000 -7.064) 7.544 15.976 ( 9.549 -0.000 -12.698) 15.888 16.442 ( 3.681 -0.000 -4.681) 5.955 16.772 ( -20.762 0.000 6.282) 21.691 16.914 ( -5.727 0.000 7.206) 9.205 17.159 ( -4.605 0.000 18.224) 18.797 17.557 ( 3.291 -0.000 -5.789) 6.659 18.023 ( -3.665 0.000 7.548) 8.390 18.299 ( 3.762 -0.000 -12.050) 12.624 18.403 ( 26.473 -0.000 12.303) 29.192 18.577 ( 17.932 -0.000 -8.117) 19.684 19.076 ( 3.892 -0.000 8.109) 8.994 19.434 ( 1.906 -0.000 -0.282) 1.927 19.666 ( -4.495 0.000 3.440) 5.660 19.796 ( 22.224 -0.000 -19.522) 29.581 20.067 ( -29.940 0.000 16.924) 34.392 20.502 ( -5.819 0.000 5.833) 8.240 20.799 ( -16.835 0.000 -15.682) 23.008 21.011 ( 0.105 -0.000 -0.510) 0.521 21.515 ( -8.437 0.000 -11.216) 14.035 21.637 ( -0.781 -0.000 -9.738) 9.769 22.048 ( -8.337 0.000 6.100) 10.330 22.140 ( -4.228 0.000 -1.573) 4.511 22.203 ( 3.404 -0.000 -3.843) 5.134 22.453 ( -6.806 0.000 -5.933) 9.029 22.537 ( -3.084 0.000 4.469) 5.430 22.853 ( 2.904 -0.000 -3.109) 4.254 23.036 ( 17.411 -0.000 5.184) 18.166 23.059 ( 5.359 -0.000 0.789) 5.417 23.109 ( 10.296 -0.000 1.393) 10.390 23.297 ( 12.660 -0.000 -3.379) 13.104 23.800 ( -10.274 0.000 -1.347) 10.362 23.889 ( -2.119 0.000 -6.271) 6.620 24.660 ( 0.912 -0.000 3.975) 4.078 24.740 ( 3.527 -0.000 3.132) 4.717 25.276 ( -15.259 0.000 9.909) 18.194 25.601 ( -9.483 0.000 -5.266) 10.847 25.950 ( -0.676 0.000 4.148) 4.203 26.055 ( 2.345 -0.000 0.417) 2.382 26.152 ( -0.753 0.000 -5.083) 5.138 26.300 ( 0.812 -0.000 -1.442) 1.655 26.352 ( 0.648 -0.000 -3.618) 3.675 26.473 ( 4.275 -0.000 -2.282) 4.846 26.990 ( -1.840 0.000 2.031) 2.740 27.330 ( -2.232 0.000 0.923) 2.415 27.459 ( 3.343 -0.000 -3.351) 4.733 27.632 ( -0.727 0.000 5.664) 5.710 27.690 ( -0.155 -0.000 -1.552) 1.560 27.798 ( 5.649 -0.000 2.116) 6.032 27.830 ( -1.421 0.000 0.699) 1.584 27.941 ( -0.808 0.000 3.048) 3.154 29.193 ( -1.066 0.000 -1.132) 1.555 29.249 ( 0.435 -0.000 -1.724) 1.778 29.383 ( 0.071 -0.000 -0.438) 0.444 29.555 ( 0.721 -0.000 -0.603) 0.940 31.847 ( 0.598 0.000 4.278) 4.320 31.936 ( -1.963 0.000 -0.341) 1.992 31.942 ( 0.827 -0.000 -0.893) 1.217 32.127 ( 0.998 -0.000 -5.930) 6.013 ======================= Grid point 106 (68/84) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.295 ( 0.000 -0.000 -11.720) 11.720 4.902 ( -0.000 0.000 2.504) 2.504 5.287 ( 0.000 -0.000 -4.578) 4.578 5.374 ( 0.000 -0.000 -59.751) 59.751 5.535 ( 0.000 -0.000 -16.654) 16.654 5.608 ( 0.000 -0.000 -0.145) 0.145 6.180 ( 0.000 -0.000 -0.072) 0.072 6.818 ( -0.000 0.000 5.629) 5.629 7.095 ( -0.000 0.000 21.800) 21.800 7.206 ( -0.000 0.000 24.796) 24.796 7.259 ( 0.000 -0.000 -9.889) 9.889 8.099 ( -0.000 0.000 3.780) 3.780 8.540 ( 0.000 -0.000 -11.436) 11.436 9.139 ( -0.000 0.000 33.085) 33.085 9.201 ( -0.000 0.000 8.326) 8.326 9.523 ( 0.000 -0.000 -17.760) 17.760 9.730 ( -0.000 0.000 19.504) 19.504 9.839 ( -0.000 0.000 16.361) 16.361 10.166 ( 0.000 -0.000 -70.414) 70.414 10.549 ( 0.000 -0.000 -26.468) 26.468 10.569 ( -0.000 0.000 39.275) 39.275 10.619 ( 0.000 -0.000 -21.643) 21.643 10.717 ( -0.000 0.000 2.270) 2.270 10.949 ( 0.000 -0.000 -23.906) 23.906 11.111 ( 0.000 -0.000 -20.049) 20.049 11.296 ( 0.000 -0.000 -13.193) 13.193 11.495 ( -0.000 0.000 23.504) 23.504 11.814 ( -0.000 0.000 10.465) 10.465 11.839 ( 0.000 -0.000 -2.043) 2.043 11.890 ( -0.000 0.000 69.311) 69.311 12.802 ( -0.000 0.000 22.646) 22.646 13.762 ( 0.000 -0.000 -13.087) 13.087 13.889 ( 0.000 -0.000 -0.029) 0.029 14.072 ( -0.000 0.000 4.079) 4.079 14.513 ( -0.000 0.000 4.198) 4.198 14.704 ( 0.000 -0.000 -20.268) 20.268 15.747 ( 0.000 -0.000 -3.024) 3.024 15.809 ( 0.000 -0.000 -17.421) 17.421 15.816 ( -0.000 0.000 17.717) 17.717 16.464 ( -0.000 0.000 2.045) 2.045 16.607 ( -0.000 0.000 2.087) 2.087 16.765 ( 0.000 -0.000 -5.835) 5.835 17.390 ( 0.000 -0.000 -13.374) 13.374 17.480 ( -0.000 0.000 14.663) 14.663 18.028 ( 0.000 -0.000 -14.386) 14.386 18.177 ( -0.000 0.000 10.480) 10.480 18.660 ( 0.000 -0.000 -5.299) 5.299 19.096 ( -0.000 0.000 8.216) 8.216 19.386 ( 0.000 -0.000 -8.955) 8.955 19.462 ( -0.000 0.000 7.777) 7.777 19.756 ( 0.000 -0.000 -32.885) 32.885 19.822 ( -0.000 0.000 9.548) 9.548 19.915 ( -0.000 0.000 31.610) 31.610 19.991 ( 0.000 -0.000 -6.273) 6.273 20.573 ( -0.000 0.000 6.860) 6.860 21.064 ( -0.000 0.000 1.431) 1.431 21.343 ( -0.000 0.000 1.289) 1.289 21.489 ( 0.000 -0.000 -2.895) 2.895 22.055 ( 0.000 -0.000 -1.792) 1.792 22.115 ( -0.000 0.000 7.737) 7.737 22.185 ( 0.000 -0.000 -3.293) 3.293 22.196 ( 0.000 -0.000 -8.347) 8.347 22.632 ( -0.000 0.000 6.539) 6.539 22.764 ( 0.000 -0.000 -5.795) 5.795 23.122 ( -0.000 0.000 0.583) 0.583 23.124 ( -0.000 0.000 0.204) 0.204 23.435 ( -0.000 0.000 0.548) 0.548 23.496 ( 0.000 -0.000 -0.700) 0.700 23.629 ( -0.000 0.000 6.061) 6.061 23.683 ( 0.000 -0.000 -9.395) 9.395 24.712 ( 0.000 -0.000 -0.433) 0.433 24.799 ( 0.000 -0.000 -2.071) 2.071 25.322 ( -0.000 0.000 8.888) 8.888 25.331 ( 0.000 -0.000 -9.494) 9.494 26.017 ( -0.000 0.000 2.184) 2.184 26.098 ( -0.000 0.000 2.419) 2.419 26.127 ( -0.000 0.000 3.852) 3.852 26.242 ( 0.000 -0.000 -4.465) 4.465 26.367 ( -0.000 0.000 3.924) 3.924 26.455 ( 0.000 -0.000 -3.186) 3.186 27.013 ( -0.000 0.000 1.927) 1.927 27.336 ( -0.000 0.000 1.419) 1.419 27.425 ( 0.000 -0.000 -3.358) 3.358 27.635 ( 0.000 -0.000 -3.345) 3.345 27.696 ( -0.000 0.000 0.551) 0.551 27.850 ( -0.000 0.000 2.880) 2.880 27.897 ( -0.000 0.000 0.989) 0.989 27.956 ( 0.000 -0.000 -0.581) 0.581 29.186 ( -0.000 0.000 1.436) 1.436 29.221 ( 0.000 -0.000 -1.124) 1.124 29.387 ( -0.000 0.000 0.686) 0.686 29.540 ( 0.000 -0.000 -1.279) 1.279 31.895 ( 0.000 -0.000 -0.760) 0.760 31.935 ( 0.000 -0.000 -0.429) 0.429 31.981 ( -0.000 0.000 6.571) 6.571 32.003 ( 0.000 -0.000 -6.553) 6.553 ======================= Grid point 107 (69/84) ======================= q-point: ( 0.75 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 57 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.760 ( -0.217 -8.332 -0.000) 8.335 4.760 ( 0.217 8.332 -0.000) 8.335 5.289 ( -8.434 -2.654 -0.000) 8.842 5.289 ( 8.434 2.654 0.000) 8.842 5.659 ( -0.050 -10.641 -0.000) 10.642 5.659 ( 0.050 10.641 -0.000) 10.642 6.608 ( -11.866 -0.614 -0.000) 11.881 6.608 ( 11.866 0.614 -0.000) 11.881 6.922 ( -0.046 -16.077 -0.000) 16.077 6.922 ( 0.046 16.077 0.000) 16.077 7.574 ( -2.373 -36.454 -0.000) 36.531 7.574 ( 2.373 36.454 -0.000) 36.531 9.114 ( -0.418 -29.401 -0.000) 29.404 9.114 ( 0.418 29.401 -0.000) 29.404 9.720 ( -0.390 -16.022 -0.000) 16.026 9.720 ( 0.390 16.022 -0.000) 16.026 9.860 ( -0.768 -3.552 0.000) 3.634 9.860 ( 0.768 3.552 0.000) 3.634 10.109 ( -4.558 -0.876 -0.000) 4.641 10.109 ( 4.558 0.876 -0.000) 4.641 10.579 ( -0.144 -6.341 -0.000) 6.342 10.579 ( 0.144 6.341 -0.000) 6.342 10.878 ( -1.158 -6.808 -0.000) 6.906 10.878 ( 1.158 6.808 -0.000) 6.906 11.048 ( -0.146 -11.364 -0.000) 11.365 11.048 ( 0.146 11.364 -0.000) 11.365 11.708 ( -0.016 -27.170 -0.000) 27.170 11.708 ( 0.016 27.170 -0.000) 27.170 12.325 ( -3.254 -4.306 -0.000) 5.397 12.325 ( 3.254 4.306 -0.000) 5.397 13.580 ( -1.419 -23.807 -0.000) 23.850 13.580 ( 1.419 23.807 -0.000) 23.850 14.068 ( -0.263 -3.614 0.000) 3.623 14.068 ( 0.263 3.614 0.000) 3.623 14.125 ( -7.710 -2.992 -0.000) 8.270 14.125 ( 7.710 2.992 -0.000) 8.270 15.508 ( -0.351 -8.827 -0.000) 8.834 15.508 ( 0.351 8.827 -0.000) 8.834 15.933 ( -0.060 -12.467 -0.000) 12.467 15.933 ( 0.060 12.467 -0.000) 12.467 17.057 ( -2.269 -0.622 -0.000) 2.353 17.057 ( 2.269 0.622 -0.000) 2.353 17.414 ( -1.019 -0.864 -0.000) 1.336 17.414 ( 1.019 0.864 -0.000) 1.336 17.934 ( -0.053 -4.439 -0.000) 4.439 17.934 ( 0.053 4.439 -0.000) 4.439 18.172 ( -0.405 -2.451 -0.000) 2.484 18.172 ( 0.405 2.451 -0.000) 2.484 18.988 ( -0.236 -1.939 -0.000) 1.953 18.988 ( 0.236 1.939 -0.000) 1.953 19.663 ( -0.130 -0.380 -0.000) 0.402 19.663 ( 0.130 0.380 -0.000) 0.402 20.706 ( -0.243 -8.478 -0.000) 8.482 20.706 ( 0.243 8.478 -0.000) 8.482 21.162 ( -0.198 -4.692 -0.000) 4.696 21.162 ( 0.198 4.692 -0.000) 4.696 21.913 ( -6.719 -1.940 -0.000) 6.994 21.913 ( 6.719 1.940 -0.000) 6.994 22.199 ( -19.059 -0.379 -0.000) 19.063 22.199 ( 19.059 0.379 -0.000) 19.063 22.294 ( -7.252 -1.452 -0.000) 7.396 22.294 ( 7.252 1.452 -0.000) 7.396 22.667 ( -2.375 -0.495 -0.000) 2.426 22.667 ( 2.375 0.495 -0.000) 2.426 22.759 ( -6.481 -0.430 0.000) 6.495 22.759 ( 6.481 0.430 -0.000) 6.495 22.789 ( -5.169 -0.621 -0.000) 5.206 22.789 ( 5.169 0.621 -0.000) 5.206 23.923 ( -0.838 -1.613 -0.000) 1.817 23.923 ( 0.838 1.613 -0.000) 1.817 24.684 ( -0.820 -0.069 -0.000) 0.823 24.684 ( 0.820 0.069 -0.000) 0.823 25.900 ( -6.259 -0.731 -0.000) 6.301 25.900 ( 6.259 0.731 -0.000) 6.301 26.036 ( -4.728 -0.222 -0.000) 4.733 26.036 ( 4.728 0.222 -0.000) 4.733 26.156 ( -3.320 -1.975 -0.000) 3.863 26.156 ( 3.320 1.975 -0.000) 3.863 26.230 ( -3.892 -0.977 -0.000) 4.013 26.230 ( 3.892 0.977 -0.000) 4.013 27.191 ( -3.273 -2.134 -0.000) 3.907 27.191 ( 3.273 2.134 -0.000) 3.907 27.524 ( -6.596 -0.042 -0.000) 6.596 27.524 ( 6.596 0.042 -0.000) 6.596 27.699 ( -1.121 -0.414 -0.000) 1.195 27.699 ( 1.121 0.414 -0.000) 1.195 27.937 ( -0.110 -1.911 -0.000) 1.914 27.937 ( 0.110 1.911 -0.000) 1.914 29.208 ( -0.506 -0.004 -0.000) 0.506 29.208 ( 0.506 0.004 -0.000) 0.506 29.457 ( -0.129 -2.814 -0.000) 2.817 29.457 ( 0.129 2.814 -0.000) 2.817 31.888 ( -0.003 -0.675 -0.000) 0.675 31.888 ( 0.003 0.675 -0.000) 0.675 32.014 ( -0.000 -0.623 -0.000) 0.623 32.014 ( 0.000 0.623 -0.000) 0.623 ======================= Grid point 113 (70/84) ======================= q-point: (-0.25 0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.528 ( -0.000 -58.016 -0.000) 58.016 2.751 ( -0.000 -65.195 -0.000) 65.195 4.763 ( -0.000 -111.119 -0.000) 111.119 5.262 ( 0.000 7.948 0.000) 7.948 5.314 ( 0.000 6.141 0.000) 6.141 5.631 ( -0.000 -2.854 -0.000) 2.854 6.121 ( 0.000 24.063 0.000) 24.063 6.278 ( -0.000 -2.377 -0.000) 2.377 6.602 ( 0.000 13.639 0.000) 13.639 6.874 ( -0.000 -5.932 -0.000) 5.932 6.916 ( 0.000 10.383 0.000) 10.383 7.458 ( 0.000 2.701 0.000) 2.701 7.890 ( 0.000 18.896 0.000) 18.896 7.928 ( -0.000 -13.946 -0.000) 13.946 8.140 ( 0.000 8.897 0.000) 8.897 8.536 ( 0.000 2.178 0.000) 2.178 8.631 ( 0.000 8.100 0.000) 8.100 9.346 ( 0.000 18.054 0.000) 18.054 9.445 ( 0.000 16.517 0.000) 16.517 9.566 ( -0.000 -7.461 -0.000) 7.461 10.202 ( 0.000 3.376 0.000) 3.376 10.444 ( 0.000 24.141 0.000) 24.141 10.486 ( -0.000 -18.854 -0.000) 18.854 10.967 ( -0.000 -23.755 -0.000) 23.755 11.489 ( 0.000 1.887 0.000) 1.887 12.211 ( 0.000 51.973 0.000) 51.973 12.812 ( 0.000 1.236 0.000) 1.236 12.907 ( -0.000 -14.072 -0.000) 14.072 13.046 ( -0.000 -15.650 -0.000) 15.650 13.520 ( 0.000 5.812 0.000) 5.812 13.592 ( -0.000 -1.623 -0.000) 1.623 13.644 ( -0.000 -2.699 -0.000) 2.699 13.886 ( 0.000 3.658 0.000) 3.658 14.086 ( -0.000 -8.569 -0.000) 8.569 14.215 ( 0.000 2.663 0.000) 2.663 14.976 ( -0.000 -5.883 -0.000) 5.883 15.909 ( 0.000 1.548 0.000) 1.548 15.931 ( -0.000 -2.071 -0.000) 2.071 16.038 ( 0.000 0.752 0.000) 0.752 16.211 ( -0.000 -1.391 -0.000) 1.391 16.543 ( -0.000 -8.367 -0.000) 8.367 16.636 ( 0.000 12.857 0.000) 12.857 16.646 ( -0.000 -3.634 -0.000) 3.634 17.420 ( 0.000 0.564 0.000) 0.564 17.604 ( -0.000 -4.913 -0.000) 4.913 17.754 ( 0.000 0.013 0.000) 0.013 18.683 ( -0.000 -0.237 -0.000) 0.237 18.859 ( -0.000 -1.640 -0.000) 1.640 19.015 ( -0.000 -1.087 -0.000) 1.087 19.077 ( 0.000 9.609 0.000) 9.609 19.261 ( 0.000 4.604 0.000) 4.604 19.797 ( -0.000 -5.310 -0.000) 5.310 20.729 ( 0.000 15.130 0.000) 15.130 20.840 ( -0.000 -2.512 -0.000) 2.512 21.259 ( -0.000 -1.993 -0.000) 1.993 21.427 ( 0.000 0.313 0.000) 0.313 21.529 ( 0.000 5.125 0.000) 5.125 22.161 ( -0.000 -3.947 -0.000) 3.947 22.177 ( -0.000 -0.920 -0.000) 0.920 22.194 ( -0.000 -1.209 -0.000) 1.209 22.466 ( -0.000 -2.967 -0.000) 2.967 22.509 ( -0.000 -2.766 -0.000) 2.766 22.513 ( -0.000 -0.861 -0.000) 0.861 22.786 ( 0.000 0.017 0.000) 0.017 22.851 ( -0.000 -2.383 -0.000) 2.383 23.129 ( 0.000 0.204 0.000) 0.204 23.159 ( 0.000 0.333 0.000) 0.333 23.494 ( 0.000 0.552 0.000) 0.552 23.994 ( 0.000 0.157 0.000) 0.157 24.200 ( -0.000 -4.858 -0.000) 4.858 24.314 ( -0.000 -0.599 -0.000) 0.599 24.340 ( -0.000 -1.162 -0.000) 1.162 24.433 ( -0.000 -1.173 -0.000) 1.173 25.657 ( -0.000 -1.777 -0.000) 1.777 25.849 ( 0.000 3.883 0.000) 3.883 26.076 ( 0.000 3.409 0.000) 3.409 26.252 ( 0.000 0.012 0.000) 0.012 26.465 ( 0.000 1.669 0.000) 1.669 26.657 ( -0.000 -2.946 -0.000) 2.946 26.683 ( 0.000 2.407 0.000) 2.407 26.989 ( 0.000 4.760 0.000) 4.760 27.304 ( 0.000 0.432 0.000) 0.432 27.325 ( -0.000 -0.339 -0.000) 0.339 27.427 ( -0.000 -6.088 -0.000) 6.088 27.513 ( -0.000 -2.132 -0.000) 2.132 27.763 ( -0.000 -0.773 -0.000) 0.773 27.869 ( 0.000 2.223 0.000) 2.223 27.989 ( 0.000 2.751 0.000) 2.751 29.259 ( -0.000 -0.303 -0.000) 0.303 29.381 ( 0.000 3.044 0.000) 3.044 29.390 ( -0.000 -1.628 -0.000) 1.628 29.555 ( -0.000 -0.554 -0.000) 0.554 31.689 ( 0.000 0.524 0.000) 0.524 31.937 ( -0.000 -2.262 -0.000) 2.262 31.959 ( -0.000 -0.247 -0.000) 0.247 32.366 ( -0.000 -0.409 -0.000) 0.409 ======================= Grid point 114 (71/84) ======================= q-point: (-0.25 0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.564 ( 51.569 -0.000 -0.000) 51.569 3.820 ( 45.336 -0.000 -0.000) 45.336 4.731 ( -3.093 0.000 0.000) 3.093 5.210 ( -16.167 0.000 0.000) 16.167 5.286 ( 12.148 -0.000 -0.000) 12.148 5.312 ( -3.020 0.000 0.000) 3.020 5.533 ( -13.288 0.000 0.000) 13.288 5.798 ( 38.450 -0.000 -0.000) 38.450 6.727 ( 2.134 -0.000 -0.000) 2.134 7.454 ( -1.590 0.000 0.000) 1.590 7.693 ( -2.722 0.000 0.000) 2.722 7.847 ( 24.808 -0.000 -0.000) 24.808 7.982 ( -35.039 0.000 0.000) 35.039 8.548 ( -2.629 0.000 0.000) 2.629 8.608 ( -23.319 0.000 0.000) 23.319 9.119 ( 12.379 -0.000 -0.000) 12.379 9.633 ( -29.036 0.000 0.000) 29.036 9.777 ( 5.448 -0.000 -0.000) 5.448 9.868 ( -11.093 0.000 0.000) 11.093 10.048 ( 55.459 -0.000 -0.000) 55.459 10.086 ( -58.024 0.000 0.000) 58.024 10.441 ( 17.503 -0.000 -0.000) 17.503 10.572 ( -12.597 0.000 0.000) 12.597 10.608 ( -7.341 0.000 0.000) 7.341 10.701 ( -8.874 0.000 0.000) 8.874 11.005 ( 38.396 -0.000 -0.000) 38.396 11.128 ( -6.441 0.000 0.000) 6.441 11.719 ( -3.450 0.000 0.000) 3.450 11.875 ( -17.040 0.000 0.000) 17.040 13.314 ( -1.153 0.000 0.000) 1.153 13.382 ( -2.188 0.000 0.000) 2.188 13.890 ( 2.758 -0.000 -0.000) 2.758 14.636 ( -24.634 0.000 0.000) 24.634 14.642 ( -1.307 0.000 0.000) 1.307 14.740 ( 22.786 -0.000 -0.000) 22.786 14.766 ( 15.641 -0.000 -0.000) 15.641 15.032 ( -1.550 0.000 0.000) 1.550 15.134 ( -2.574 0.000 0.000) 2.574 16.184 ( 1.149 -0.000 -0.000) 1.149 16.829 ( -2.456 0.000 0.000) 2.456 17.041 ( -24.191 0.000 0.000) 24.191 17.078 ( 22.940 -0.000 -0.000) 22.940 17.420 ( 20.848 -0.000 -0.000) 20.848 17.426 ( -20.157 0.000 0.000) 20.157 17.908 ( 16.213 -0.000 -0.000) 16.213 17.991 ( -12.013 0.000 0.000) 12.013 18.056 ( 24.247 -0.000 -0.000) 24.247 18.515 ( -27.846 0.000 0.000) 27.846 19.176 ( -1.968 0.000 0.000) 1.968 19.411 ( 2.879 -0.000 -0.000) 2.879 20.086 ( -39.955 0.000 0.000) 39.955 20.148 ( 43.639 -0.000 -0.000) 43.639 20.324 ( 21.493 -0.000 -0.000) 21.493 20.332 ( -18.698 0.000 0.000) 18.698 20.660 ( -15.056 0.000 0.000) 15.056 21.040 ( 1.950 -0.000 -0.000) 1.950 21.983 ( -7.454 0.000 0.000) 7.454 22.087 ( 3.527 -0.000 -0.000) 3.527 22.102 ( 5.288 -0.000 -0.000) 5.288 22.238 ( 1.484 -0.000 -0.000) 1.484 22.450 ( -19.756 0.000 0.000) 19.756 22.452 ( 18.441 -0.000 -0.000) 18.441 22.585 ( -4.989 0.000 0.000) 4.989 22.721 ( 6.393 -0.000 -0.000) 6.393 22.748 ( -10.960 0.000 0.000) 10.960 22.855 ( 7.975 -0.000 -0.000) 7.975 22.909 ( 15.126 -0.000 -0.000) 15.126 22.928 ( -6.774 0.000 0.000) 6.774 24.258 ( -0.239 0.000 0.000) 0.239 24.326 ( 1.428 -0.000 -0.000) 1.428 24.341 ( 0.414 -0.000 -0.000) 0.414 24.460 ( 0.227 -0.000 -0.000) 0.227 25.782 ( 14.471 -0.000 -0.000) 14.471 25.913 ( -26.449 0.000 0.000) 26.449 25.957 ( 0.488 -0.000 -0.000) 0.488 25.994 ( 8.565 -0.000 -0.000) 8.565 26.061 ( 5.292 -0.000 -0.000) 5.292 26.065 ( -7.547 0.000 0.000) 7.547 26.502 ( -2.017 0.000 0.000) 2.017 26.602 ( 3.500 -0.000 -0.000) 3.500 27.232 ( -9.673 0.000 0.000) 9.673 27.344 ( 6.395 -0.000 -0.000) 6.395 27.412 ( -1.792 0.000 0.000) 1.792 27.417 ( 3.343 -0.000 -0.000) 3.343 27.494 ( -5.909 0.000 0.000) 5.909 27.527 ( 5.929 -0.000 -0.000) 5.929 27.942 ( 0.326 -0.000 -0.000) 0.326 27.974 ( -3.396 0.000 0.000) 3.396 29.278 ( 0.709 -0.000 -0.000) 0.709 29.392 ( -2.998 0.000 0.000) 2.998 29.443 ( 2.994 -0.000 -0.000) 2.994 29.448 ( -0.861 0.000 0.000) 0.861 31.780 ( -2.604 0.000 0.000) 2.604 31.867 ( 3.965 -0.000 -0.000) 3.965 32.146 ( -5.252 0.000 0.000) 5.252 32.163 ( 5.453 -0.000 -0.000) 5.453 ======================= Grid point 116 (72/84) ======================= q-point: (-0.25 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.418 ( -0.000 -23.198 8.183) 24.599 4.533 ( -0.000 -36.789 8.290) 37.712 5.060 ( -0.000 -10.931 8.102) 13.606 5.458 ( -0.000 1.115 9.294) 9.361 5.576 ( -0.000 -3.507 -2.169) 4.124 6.130 ( 0.000 0.353 -4.390) 4.405 6.158 ( -0.000 17.878 30.356) 35.229 6.440 ( -0.000 12.030 8.564) 14.767 6.981 ( 0.000 33.401 7.585) 34.251 7.268 ( -0.000 -32.192 7.226) 32.993 7.480 ( -0.000 -13.621 2.188) 13.796 7.879 ( -0.000 -1.742 21.598) 21.669 7.919 ( 0.000 13.763 1.113) 13.808 8.165 ( -0.000 -3.573 28.566) 28.789 8.361 ( -0.000 -9.105 20.033) 22.005 8.592 ( -0.000 -13.233 9.206) 16.120 8.888 ( -0.000 -1.769 14.982) 15.086 9.359 ( 0.000 16.009 -7.226) 17.564 9.403 ( -0.000 13.318 47.566) 49.395 9.944 ( -0.000 -7.593 18.148) 19.673 10.080 ( 0.000 -1.387 -4.095) 4.324 10.298 ( -0.000 2.656 5.657) 6.250 10.949 ( -0.000 -14.048 3.830) 14.561 11.351 ( -0.000 -23.687 -4.527) 24.116 11.526 ( 0.000 9.037 -1.845) 9.224 11.665 ( -0.000 45.133 32.486) 55.609 12.184 ( 0.000 -2.437 -33.338) 33.427 12.379 ( 0.000 -1.472 -27.422) 27.462 12.500 ( 0.000 7.661 -23.826) 25.027 12.696 ( 0.000 -2.955 -33.469) 33.599 12.893 ( 0.000 12.298 -28.579) 31.112 13.615 ( -0.000 -1.508 6.234) 6.414 13.870 ( 0.000 -0.502 -2.027) 2.088 14.271 ( 0.000 -2.755 -1.917) 3.357 14.860 ( 0.000 -5.707 -23.343) 24.030 14.938 ( -0.000 1.293 25.609) 25.642 15.182 ( 0.000 -3.914 -5.462) 6.720 16.067 ( 0.000 5.214 -7.532) 9.161 16.374 ( -0.000 -0.149 6.420) 6.422 16.382 ( 0.000 -0.559 -11.164) 11.178 16.462 ( -0.000 -8.844 -3.260) 9.425 16.636 ( -0.000 -0.500 23.190) 23.195 16.682 ( -0.000 -1.643 4.935) 5.202 17.689 ( 0.000 -0.437 -2.400) 2.439 17.810 ( -0.000 -1.631 6.316) 6.523 18.458 ( -0.000 -2.802 33.715) 33.832 18.638 ( 0.000 0.517 -9.917) 9.931 18.755 ( -0.000 -2.640 4.447) 5.172 18.913 ( 0.000 9.508 -0.998) 9.561 19.084 ( -0.000 -0.038 3.804) 3.804 19.328 ( -0.000 0.200 6.834) 6.837 19.858 ( 0.000 0.088 -1.606) 1.608 20.488 ( 0.000 9.272 1.802) 9.446 20.738 ( 0.000 -0.504 -23.291) 23.297 20.826 ( 0.000 0.252 -9.888) 9.892 21.050 ( 0.000 1.072 -9.981) 10.038 21.573 ( -0.000 0.169 0.736) 0.755 21.864 ( 0.000 -1.203 -13.083) 13.138 21.943 ( 0.000 0.613 -9.966) 9.985 22.158 ( 0.000 0.195 -2.137) 2.146 22.265 ( -0.000 -3.385 0.586) 3.435 22.452 ( 0.000 -1.621 -4.825) 5.090 22.481 ( 0.000 0.943 -0.765) 1.214 22.905 ( -0.000 -3.214 -1.900) 3.734 23.091 ( -0.000 -0.088 1.978) 1.980 23.119 ( 0.000 0.367 -0.261) 0.450 23.302 ( -0.000 -1.138 9.364) 9.433 23.457 ( 0.000 0.271 -1.053) 1.087 23.640 ( 0.000 -0.077 -7.356) 7.357 23.994 ( 0.000 -1.873 -7.447) 7.679 24.576 ( -0.000 -0.323 5.153) 5.163 24.654 ( -0.000 -1.912 6.976) 7.233 24.829 ( -0.000 0.246 14.848) 14.850 25.605 ( 0.000 -0.192 -3.970) 3.975 25.884 ( -0.000 2.772 3.997) 4.865 26.081 ( -0.000 1.132 1.245) 1.683 26.278 ( 0.000 1.085 -6.577) 6.666 26.283 ( -0.000 0.480 1.306) 1.392 26.504 ( 0.000 -1.237 -8.241) 8.334 26.568 ( 0.000 0.349 -2.745) 2.767 26.947 ( -0.000 1.784 1.424) 2.282 27.304 ( 0.000 1.187 0.668) 1.362 27.481 ( -0.000 -0.828 6.204) 6.259 27.517 ( -0.000 -4.009 -1.849) 4.414 27.670 ( -0.000 -1.624 3.245) 3.629 27.807 ( -0.000 0.503 1.651) 1.726 27.842 ( -0.000 1.791 1.482) 2.324 27.885 ( 0.000 1.505 -0.542) 1.600 29.212 ( 0.000 -0.156 -1.997) 2.003 29.297 ( 0.000 0.743 -1.836) 1.981 29.402 ( 0.000 0.389 -0.379) 0.543 29.560 ( -0.000 -1.003 -0.359) 1.065 31.762 ( -0.000 0.341 4.009) 4.024 31.933 ( 0.000 0.163 -0.830) 0.846 31.962 ( 0.000 -1.380 -1.094) 1.762 32.256 ( 0.000 -0.308 -5.363) 5.372 ======================= Grid point 123 (73/84) ======================= q-point: (-0.27 0.40 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.453 ( 10.892 -0.000 3.031) 11.306 4.603 ( 29.412 -0.000 18.993) 35.012 5.082 ( 25.643 -0.000 3.653) 25.901 5.125 ( -1.714 0.000 12.409) 12.527 5.277 ( -1.735 0.000 -1.841) 2.529 5.339 ( 1.083 0.000 8.473) 8.542 5.507 ( -11.249 0.000 19.125) 22.188 6.397 ( 5.765 -0.000 5.146) 7.728 6.909 ( 9.453 -0.000 9.763) 13.590 7.028 ( -43.281 0.000 3.603) 43.431 7.713 ( 20.224 -0.000 2.915) 20.433 7.953 ( 3.153 -0.000 8.941) 9.480 8.216 ( -9.775 0.000 -5.370) 11.152 8.315 ( 19.425 -0.000 0.024) 19.425 8.478 ( -19.493 0.000 13.891) 23.936 8.987 ( -44.872 0.000 10.357) 46.052 9.021 ( -28.649 0.000 6.463) 29.368 9.067 ( -20.782 0.000 -10.736) 23.391 9.601 ( -12.180 0.000 4.344) 12.931 9.798 ( -2.081 0.000 15.237) 15.378 10.232 ( -8.782 0.000 -0.333) 8.788 10.406 ( -10.537 0.000 7.493) 12.930 10.707 ( -8.465 0.000 15.462) 17.628 10.875 ( 19.652 -0.000 1.148) 19.686 11.091 ( -2.453 0.000 3.891) 4.600 11.470 ( 53.117 -0.000 -5.648) 53.417 11.692 ( -2.840 0.000 0.807) 2.953 11.778 ( 37.796 -0.000 -2.888) 37.907 12.005 ( 27.129 -0.000 -2.134) 27.213 13.149 ( -0.124 -0.000 -14.210) 14.210 13.409 ( -0.203 0.000 4.717) 4.721 13.916 ( 2.049 -0.000 -1.721) 2.676 13.967 ( -19.852 0.000 -22.529) 30.028 14.491 ( -10.041 0.000 5.847) 11.619 14.886 ( -11.609 0.000 -8.436) 14.351 14.952 ( 17.859 -0.000 -11.257) 21.111 15.120 ( 7.161 -0.000 -0.815) 7.207 15.426 ( 24.458 -0.000 12.578) 27.502 16.139 ( 1.881 -0.000 -7.278) 7.517 16.573 ( -10.700 0.000 -0.166) 10.702 16.839 ( -8.030 0.000 4.811) 9.361 17.001 ( -24.624 0.000 3.792) 24.914 17.472 ( 13.643 -0.000 0.612) 13.657 17.494 ( -21.289 0.000 -15.500) 26.334 17.872 ( -1.987 0.000 6.707) 6.995 17.969 ( -8.620 0.000 0.942) 8.672 18.288 ( 19.477 -0.000 -0.501) 19.484 18.448 ( 18.357 -0.000 -2.800) 18.569 19.162 ( -20.133 0.000 -6.016) 21.013 19.200 ( -1.585 0.000 5.871) 6.082 19.532 ( -10.339 0.000 8.393) 13.317 20.096 ( -18.723 0.000 7.940) 20.337 20.322 ( 28.000 -0.000 -26.926) 38.846 20.490 ( -8.278 0.000 2.328) 8.599 20.879 ( 2.355 -0.000 1.419) 2.749 21.479 ( 21.412 -0.000 2.725) 21.585 21.806 ( -0.780 0.000 5.472) 5.527 22.043 ( -15.624 0.000 0.134) 15.625 22.078 ( 1.608 -0.000 -8.336) 8.490 22.178 ( 0.525 -0.000 2.465) 2.521 22.242 ( 0.998 -0.000 -1.062) 1.458 22.513 ( -2.246 0.000 -0.281) 2.263 22.523 ( -4.332 0.000 -6.419) 7.744 22.768 ( -5.657 0.000 -1.631) 5.888 22.821 ( 12.580 -0.000 1.566) 12.678 22.852 ( 5.803 -0.000 0.239) 5.808 22.996 ( 6.025 -0.000 0.017) 6.025 23.169 ( 13.664 -0.000 -2.642) 13.917 24.165 ( 0.080 -0.000 -6.461) 6.462 24.231 ( -4.076 0.000 -8.075) 9.046 24.450 ( 2.220 -0.000 6.373) 6.749 24.479 ( -1.520 0.000 3.738) 4.035 25.379 ( -29.907 0.000 5.857) 30.475 25.858 ( -2.684 0.000 2.213) 3.479 25.895 ( -8.593 0.000 -0.849) 8.635 25.985 ( 1.419 -0.000 1.005) 1.739 26.161 ( 5.204 -0.000 2.188) 5.645 26.323 ( 13.614 -0.000 -0.131) 13.615 26.422 ( -1.574 0.000 -3.703) 4.023 26.615 ( 2.654 -0.000 -5.285) 5.914 27.045 ( -7.350 0.000 -0.465) 7.365 27.381 ( -4.156 0.000 -0.149) 4.159 27.414 ( -1.213 0.000 3.451) 3.658 27.469 ( 5.684 -0.000 -0.460) 5.702 27.529 ( 3.185 -0.000 3.609) 4.813 27.660 ( 5.020 -0.000 1.601) 5.269 27.887 ( -3.797 0.000 -0.803) 3.881 27.920 ( -0.594 0.000 -1.634) 1.738 29.286 ( 0.802 -0.000 -0.663) 1.040 29.312 ( -2.434 0.000 -1.917) 3.098 29.426 ( -0.402 0.000 -0.898) 0.984 29.512 ( 2.322 -0.000 0.900) 2.490 31.742 ( -2.086 0.000 1.362) 2.491 31.936 ( 2.950 -0.000 -0.391) 2.976 32.037 ( -4.154 0.000 -0.989) 4.270 32.246 ( 4.482 -0.000 -2.232) 5.007 ======================= Grid point 126 (74/84) ======================= q-point: ( 0.71 -0.46 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.547 ( 3.386 -0.000 -5.307) 6.295 5.084 ( -6.153 0.000 -6.258) 8.776 5.275 ( 0.122 0.000 10.081) 10.081 5.400 ( 3.130 -0.000 14.850) 15.176 5.564 ( 12.623 -0.000 2.306) 12.832 5.805 ( 14.508 -0.000 20.231) 24.895 6.012 ( 10.831 -0.000 26.876) 28.976 6.420 ( 2.849 -0.000 -6.078) 6.712 6.506 ( -28.556 0.000 19.515) 34.587 7.469 ( 19.590 -0.000 10.144) 22.060 7.611 ( -4.757 -0.000 -33.855) 34.188 7.930 ( -17.096 0.000 -2.421) 17.267 8.212 ( -24.638 0.000 15.342) 29.024 8.356 ( -12.640 0.000 20.608) 24.176 8.465 ( 0.656 0.000 31.528) 31.534 8.786 ( 11.648 -0.000 3.347) 12.119 8.944 ( -6.038 0.000 27.030) 27.696 9.251 ( -8.518 0.000 46.674) 47.445 9.352 ( -14.424 0.000 -2.285) 14.603 10.095 ( 0.913 -0.000 2.535) 2.694 10.210 ( -1.749 0.000 9.662) 9.819 10.386 ( -8.995 0.000 10.430) 13.773 11.034 ( -12.800 0.000 41.132) 43.078 11.128 ( -1.792 0.000 3.221) 3.686 11.239 ( 21.340 -0.000 -3.529) 21.630 11.635 ( -1.164 0.000 0.713) 1.365 11.962 ( 24.294 -0.000 -29.342) 38.094 12.207 ( 18.870 -0.000 -14.914) 24.053 12.242 ( 11.797 -0.000 -20.023) 23.240 12.708 ( 0.511 -0.000 -31.003) 31.007 12.963 ( -14.797 0.000 -39.621) 42.294 13.584 ( 3.323 -0.000 8.473) 9.101 13.911 ( -2.634 0.000 0.756) 2.740 14.408 ( -10.772 0.000 -7.771) 13.282 14.763 ( 10.301 -0.000 20.246) 22.716 14.901 ( 4.657 -0.000 -20.675) 21.193 15.206 ( 3.481 -0.000 -2.770) 4.449 15.994 ( 1.837 -0.000 -9.782) 9.953 16.113 ( 18.948 -0.000 1.294) 18.992 16.556 ( 2.053 -0.000 -1.908) 2.803 16.632 ( -21.571 0.000 6.724) 22.594 16.772 ( -11.247 0.000 6.911) 13.200 16.817 ( -8.775 0.000 7.086) 11.279 17.639 ( 5.293 -0.000 -2.636) 5.913 17.881 ( -4.747 0.000 6.399) 7.967 18.178 ( 12.470 -0.000 11.507) 16.967 18.517 ( 10.389 -0.000 -9.204) 13.880 18.692 ( 11.786 -0.000 -3.150) 12.199 18.948 ( -2.938 0.000 5.460) 6.200 19.326 ( -0.372 0.000 7.600) 7.609 19.433 ( -25.480 0.000 15.449) 29.798 19.906 ( -8.398 0.000 1.033) 8.461 20.310 ( 26.362 -0.000 -27.557) 38.136 20.420 ( -3.449 0.000 2.830) 4.462 20.921 ( 0.942 -0.000 0.410) 1.027 21.201 ( -11.651 0.000 -14.997) 18.991 21.724 ( -12.265 0.000 -4.172) 12.955 21.873 ( 0.268 -0.000 -12.635) 12.638 21.956 ( -3.438 0.000 -1.683) 3.828 22.205 ( -4.125 0.000 -4.013) 5.755 22.259 ( 2.870 -0.000 -1.140) 3.088 22.475 ( -1.470 0.000 0.502) 1.553 22.566 ( -6.978 0.000 -4.452) 8.277 22.815 ( 22.114 -0.000 8.518) 23.698 22.953 ( 7.499 -0.000 0.599) 7.523 23.047 ( 6.609 -0.000 0.395) 6.621 23.099 ( 4.910 -0.000 0.233) 4.915 23.353 ( 9.614 -0.000 -2.298) 9.885 23.885 ( -12.419 0.000 -7.142) 14.326 24.023 ( -0.738 -0.000 -6.962) 7.001 24.563 ( 0.636 0.000 5.190) 5.228 24.640 ( 3.014 -0.000 6.400) 7.074 25.050 ( -19.744 0.000 12.219) 23.219 25.688 ( -7.497 0.000 -3.363) 8.217 25.870 ( -1.507 0.000 3.673) 3.970 26.045 ( 2.113 -0.000 1.057) 2.363 26.271 ( 1.071 -0.000 1.990) 2.260 26.277 ( -1.020 0.000 -6.481) 6.561 26.504 ( 1.211 -0.000 -8.545) 8.630 26.512 ( 5.470 -0.000 -1.549) 5.685 26.954 ( -2.604 0.000 1.524) 3.018 27.316 ( -2.481 0.000 0.458) 2.523 27.493 ( 0.253 0.000 4.791) 4.798 27.533 ( 2.301 -0.000 -1.100) 2.550 27.672 ( 1.778 -0.000 3.651) 4.061 27.770 ( 3.850 -0.000 0.790) 3.931 27.820 ( -1.979 0.000 0.327) 2.006 27.887 ( -0.932 0.000 1.003) 1.369 29.229 ( -1.371 0.000 -2.175) 2.571 29.281 ( 0.562 -0.000 -1.321) 1.436 29.399 ( -0.083 -0.000 -1.080) 1.083 29.559 ( 1.121 -0.000 0.150) 1.131 31.764 ( -0.578 0.000 3.562) 3.608 31.953 ( -2.091 0.000 -1.000) 2.318 31.963 ( 1.280 -0.000 -1.087) 1.679 32.239 ( 2.010 -0.000 -4.945) 5.338 ======================= Grid point 132 (75/84) ======================= q-point: (-0.29 0.29 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.765 ( -17.947 -40.772 -0.000) 44.547 4.098 ( -9.922 -46.958 -0.000) 47.994 5.060 ( 4.321 5.963 0.000) 7.364 5.139 ( 5.044 7.796 0.000) 9.285 5.588 ( 5.416 17.336 0.000) 18.162 5.612 ( 10.412 -0.689 -0.000) 10.435 5.797 ( 25.451 8.894 -0.000) 26.960 6.471 ( -4.940 10.655 0.000) 11.745 6.502 ( -11.510 2.718 0.000) 11.827 6.776 ( 6.800 -29.135 -0.000) 29.918 7.310 ( -23.179 -29.758 -0.000) 37.720 7.812 ( -18.430 -4.136 0.000) 18.888 7.951 ( -25.964 1.450 0.000) 26.004 8.036 ( -15.493 10.741 0.000) 18.852 8.246 ( -10.974 2.216 0.000) 11.196 8.483 ( -9.943 -0.814 0.000) 9.977 8.592 ( 5.578 -2.038 -0.000) 5.938 8.787 ( 4.718 11.565 0.000) 12.490 9.360 ( 3.512 1.238 -0.000) 3.724 9.549 ( -1.514 4.318 0.000) 4.576 10.142 ( -0.102 1.621 0.000) 1.624 10.201 ( -2.628 2.293 0.000) 3.487 10.859 ( -1.562 -14.191 -0.000) 14.277 11.161 ( -11.530 58.421 0.000) 59.548 11.311 ( 14.400 2.383 -0.000) 14.596 11.412 ( -0.085 -18.561 -0.000) 18.561 12.482 ( 31.660 -2.412 -0.000) 31.752 12.715 ( 32.294 -4.154 -0.000) 32.560 12.780 ( 46.825 5.379 -0.000) 47.133 13.283 ( -1.149 -4.097 -0.000) 4.255 13.384 ( 0.026 7.126 0.000) 7.126 13.913 ( -9.850 1.772 0.000) 10.008 14.001 ( 2.658 -4.221 -0.000) 4.988 14.163 ( -12.366 3.251 0.000) 12.787 14.538 ( -21.449 -6.190 0.000) 22.325 15.126 ( 0.274 -5.839 -0.000) 5.845 15.599 ( 21.302 2.381 -0.000) 21.435 15.702 ( 22.271 -2.335 -0.000) 22.393 16.172 ( -14.317 0.758 0.000) 14.337 16.329 ( 0.547 8.014 0.000) 8.033 16.483 ( -18.541 -0.620 0.000) 18.551 16.717 ( 2.095 -10.515 -0.000) 10.722 17.133 ( -31.009 -2.233 0.000) 31.089 17.640 ( -14.124 0.156 0.000) 14.124 17.685 ( 6.377 0.276 -0.000) 6.383 17.734 ( -3.763 -4.040 -0.000) 5.521 18.695 ( 16.813 -0.627 -0.000) 16.825 18.773 ( -11.322 0.209 0.000) 11.324 18.813 ( 5.905 10.655 0.000) 12.182 19.165 ( -11.489 -0.984 0.000) 11.531 19.168 ( 2.237 1.279 0.000) 2.577 19.889 ( -1.522 -2.551 -0.000) 2.971 20.479 ( -2.823 10.533 0.000) 10.905 20.857 ( 1.419 -1.085 -0.000) 1.787 21.082 ( 14.883 -0.149 -0.000) 14.883 21.552 ( -12.661 0.260 0.000) 12.664 21.671 ( -15.177 2.020 0.000) 15.311 22.133 ( 19.304 1.546 -0.000) 19.366 22.187 ( 0.792 -0.687 -0.000) 1.049 22.217 ( -0.194 -2.104 -0.000) 2.113 22.290 ( 24.593 -1.538 -0.000) 24.641 22.495 ( 1.062 -1.949 -0.000) 2.220 22.547 ( -1.855 -0.714 0.000) 1.987 22.646 ( -5.943 -1.280 0.000) 6.080 22.904 ( 3.099 -3.579 -0.000) 4.734 23.047 ( 8.338 0.276 -0.000) 8.343 23.086 ( 4.164 -0.264 -0.000) 4.172 23.401 ( 8.260 -0.453 -0.000) 8.272 24.254 ( -8.468 -1.162 0.000) 8.548 24.296 ( -1.056 -0.531 0.000) 1.183 24.342 ( -1.911 -0.804 0.000) 2.073 24.360 ( -0.300 -0.458 -0.000) 0.547 24.666 ( -26.363 -0.268 0.000) 26.364 25.744 ( -5.854 -0.955 0.000) 5.932 25.801 ( -1.686 2.001 0.000) 2.616 26.005 ( 0.892 2.066 0.000) 2.251 26.233 ( 2.497 0.206 -0.000) 2.506 26.443 ( -0.953 1.124 0.000) 1.473 26.557 ( 7.842 1.237 -0.000) 7.939 26.695 ( 1.268 -1.549 -0.000) 2.002 26.954 ( -4.393 2.946 0.000) 5.289 27.313 ( -1.954 0.089 0.000) 1.956 27.348 ( -1.793 0.266 0.000) 1.812 27.517 ( 2.681 -3.423 -0.000) 4.348 27.543 ( 1.745 -2.286 -0.000) 2.876 27.737 ( 3.419 0.049 -0.000) 3.419 27.840 ( -2.399 1.970 0.000) 3.104 27.944 ( -0.386 1.708 0.000) 1.751 29.282 ( -1.531 -0.466 0.000) 1.601 29.324 ( 0.534 1.851 0.000) 1.927 29.420 ( -0.223 -0.984 -0.000) 1.009 29.545 ( 1.577 -0.107 -0.000) 1.580 31.695 ( -1.486 0.461 0.000) 1.556 31.969 ( 0.759 -1.553 -0.000) 1.728 31.981 ( -1.587 -0.114 0.000) 1.591 32.345 ( 2.834 -0.286 -0.000) 2.848 ======================= Grid point 135 (76/84) ======================= q-point: (-0.31 0.44 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.066 ( -0.000 -45.739 36.606) 58.583 4.130 ( -0.000 -48.055 15.305) 50.433 5.046 ( 0.000 4.957 -3.404) 6.013 5.266 ( -0.000 5.712 8.422) 10.176 5.643 ( 0.000 -3.806 -4.239) 5.697 5.658 ( 0.000 27.352 10.589) 29.330 6.218 ( 0.000 4.101 -5.198) 6.621 6.319 ( 0.000 15.067 3.122) 15.387 6.772 ( 0.000 25.141 14.309) 28.927 6.924 ( -0.000 -72.919 14.014) 74.253 7.287 ( -0.000 -11.247 19.213) 22.263 7.557 ( -0.000 -2.345 9.829) 10.105 7.725 ( -0.000 4.249 13.423) 14.080 7.874 ( -0.000 -4.184 -0.791) 4.258 8.309 ( 0.000 9.706 -2.966) 10.149 8.571 ( -0.000 5.276 30.309) 30.765 8.607 ( 0.000 -3.711 -5.869) 6.943 8.797 ( 0.000 10.086 -1.583) 10.210 9.485 ( 0.000 11.874 -4.409) 12.666 9.581 ( -0.000 -4.194 15.941) 16.484 10.131 ( 0.000 0.068 -1.655) 1.657 10.214 ( -0.000 2.614 3.011) 3.987 10.875 ( -0.000 -13.432 2.997) 13.762 11.172 ( 0.000 59.045 15.598) 61.071 11.403 ( -0.000 -19.638 -1.280) 19.679 11.502 ( -0.000 4.076 2.828) 4.961 12.673 ( 0.000 -0.963 -12.991) 13.026 12.895 ( 0.000 -6.479 -21.466) 22.422 13.060 ( 0.000 6.330 -31.469) 32.100 13.151 ( 0.000 -3.446 -11.739) 12.234 13.317 ( 0.000 1.643 -11.961) 12.074 13.551 ( 0.000 4.411 -2.255) 4.954 13.975 ( 0.000 -2.654 -6.486) 7.008 14.262 ( -0.000 -4.388 1.765) 4.730 14.399 ( -0.000 3.887 26.771) 27.052 15.130 ( -0.000 -7.639 -0.490) 7.655 15.471 ( 0.000 1.810 -24.651) 24.717 16.157 ( -0.000 -1.379 1.848) 2.306 16.212 ( -0.000 0.216 17.181) 17.183 16.270 ( -0.000 -0.915 4.051) 4.153 16.413 ( 0.000 6.615 3.183) 7.340 16.588 ( 0.000 -1.606 -9.408) 9.544 16.700 ( -0.000 -9.156 -3.958) 9.975 17.647 ( -0.000 -1.583 10.440) 10.560 17.741 ( -0.000 0.321 0.464) 0.564 17.838 ( -0.000 -3.025 20.192) 20.418 18.698 ( -0.000 -1.068 1.322) 1.699 18.823 ( 0.000 -0.881 -6.611) 6.670 18.891 ( 0.000 10.421 2.680) 10.760 19.041 ( -0.000 -0.236 1.022) 1.049 19.226 ( -0.000 1.009 2.773) 2.951 19.878 ( -0.000 -1.989 -0.427) 2.034 20.459 ( 0.000 10.813 0.948) 10.855 20.875 ( -0.000 -0.997 0.331) 1.050 21.137 ( 0.000 -0.987 -14.885) 14.918 21.321 ( 0.000 3.212 -11.645) 12.080 21.478 ( -0.000 0.274 5.232) 5.239 22.098 ( 0.000 -0.796 -9.041) 9.076 22.192 ( 0.000 -0.426 -1.131) 1.209 22.236 ( -0.000 -1.733 1.568) 2.337 22.266 ( 0.000 -0.866 -17.908) 17.929 22.520 ( 0.000 -1.113 -2.143) 2.415 22.526 ( 0.000 -1.776 -2.412) 2.995 22.919 ( -0.000 -3.268 0.150) 3.271 22.973 ( -0.000 -0.358 10.439) 10.445 23.126 ( 0.000 0.293 -0.339) 0.448 23.170 ( -0.000 -0.716 2.611) 2.708 23.476 ( 0.000 0.440 -0.721) 0.845 23.829 ( 0.000 -0.256 -10.873) 10.876 24.149 ( 0.000 -2.256 -7.946) 8.260 24.488 ( -0.000 -0.732 3.309) 3.389 24.499 ( -0.000 -1.818 8.096) 8.298 24.523 ( -0.000 0.294 14.859) 14.862 25.663 ( 0.000 -0.575 -1.857) 1.944 25.813 ( -0.000 2.642 2.764) 3.823 26.041 ( -0.000 2.041 2.218) 3.014 26.264 ( -0.000 -0.165 0.639) 0.660 26.391 ( 0.000 1.243 -4.135) 4.318 26.617 ( 0.000 1.388 -1.890) 2.345 26.649 ( 0.000 -1.591 -5.421) 5.650 26.921 ( 0.000 2.724 1.099) 2.938 27.295 ( 0.000 0.794 0.251) 0.833 27.373 ( -0.000 -0.344 4.041) 4.056 27.544 ( -0.000 -5.479 -0.806) 5.539 27.590 ( -0.000 -1.662 3.652) 4.012 27.783 ( -0.000 -0.413 0.665) 0.783 27.819 ( 0.000 2.950 0.767) 3.048 27.918 ( 0.000 1.986 -1.898) 2.747 29.249 ( 0.000 -0.258 -1.516) 1.537 29.323 ( 0.000 1.610 -0.737) 1.771 29.412 ( 0.000 -0.697 -0.533) 0.878 29.563 ( -0.000 -0.417 0.058) 0.421 31.701 ( -0.000 0.360 2.066) 2.097 31.947 ( 0.000 0.056 -0.499) 0.502 31.981 ( -0.000 -1.675 -0.759) 1.839 32.343 ( 0.000 -0.296 -3.027) 3.041 ======================= Grid point 136 (77/84) ======================= q-point: ( 0.69 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.453 ( 0.000 -0.000 -6.565) 6.565 4.891 ( 0.000 -0.000 -2.310) 2.310 5.364 ( 0.000 -0.000 -1.423) 1.423 5.576 ( -0.000 0.000 3.568) 3.568 5.711 ( 0.000 -0.000 -0.691) 0.691 6.307 ( 0.000 -0.000 -11.038) 11.038 6.323 ( 0.000 -0.000 -17.496) 17.496 6.616 ( -0.000 0.000 16.618) 16.618 6.629 ( -0.000 0.000 29.767) 29.767 6.862 ( 0.000 -0.000 -14.585) 14.585 7.466 ( 0.000 -0.000 -10.623) 10.623 7.945 ( -0.000 0.000 10.498) 10.498 8.460 ( -0.000 0.000 32.214) 32.214 8.739 ( -0.000 0.000 2.634) 2.634 9.036 ( -0.000 0.000 6.817) 6.817 9.084 ( -0.000 0.000 18.776) 18.776 9.271 ( -0.000 0.000 40.536) 40.536 9.690 ( -0.000 0.000 43.116) 43.116 9.970 ( 0.000 -0.000 -11.991) 11.991 10.209 ( -0.000 0.000 47.578) 47.578 10.416 ( -0.000 0.000 9.648) 9.648 10.701 ( -0.000 0.000 38.224) 38.224 11.145 ( -0.000 0.000 2.127) 2.127 11.164 ( 0.000 -0.000 -17.447) 17.447 11.424 ( 0.000 -0.000 -37.855) 37.855 11.684 ( -0.000 0.000 2.188) 2.188 11.717 ( 0.000 -0.000 -28.054) 28.054 11.724 ( 0.000 -0.000 -30.823) 30.823 11.913 ( 0.000 -0.000 -46.495) 46.495 12.034 ( 0.000 -0.000 -16.136) 16.136 12.150 ( -0.000 0.000 24.597) 24.597 13.804 ( -0.000 0.000 7.846) 7.846 13.871 ( -0.000 0.000 1.294) 1.294 14.168 ( 0.000 -0.000 -10.559) 10.559 14.572 ( 0.000 -0.000 -9.937) 9.937 15.063 ( 0.000 -0.000 -13.819) 13.819 15.414 ( -0.000 0.000 22.171) 22.171 15.848 ( 0.000 -0.000 -6.668) 6.668 16.129 ( 0.000 -0.000 -14.303) 14.303 16.486 ( 0.000 -0.000 -3.924) 3.924 16.510 ( -0.000 0.000 6.610) 6.610 16.798 ( -0.000 0.000 2.773) 2.773 17.107 ( -0.000 0.000 21.674) 21.674 17.591 ( 0.000 -0.000 -7.008) 7.008 17.986 ( -0.000 0.000 8.537) 8.537 18.339 ( 0.000 -0.000 -15.632) 15.632 18.759 ( 0.000 -0.000 -3.978) 3.978 18.923 ( -0.000 0.000 8.368) 8.368 19.225 ( -0.000 0.000 36.081) 36.081 19.228 ( -0.000 0.000 10.718) 10.718 19.445 ( -0.000 0.000 3.156) 3.156 19.797 ( 0.000 -0.000 -2.714) 2.714 20.273 ( 0.000 -0.000 -21.026) 21.026 20.371 ( 0.000 -0.000 -27.656) 27.656 20.463 ( -0.000 0.000 4.476) 4.476 21.031 ( -0.000 0.000 1.599) 1.599 21.431 ( 0.000 -0.000 -9.162) 9.162 21.630 ( 0.000 -0.000 -10.486) 10.486 21.953 ( -0.000 0.000 7.470) 7.470 22.101 ( 0.000 -0.000 -2.639) 2.639 22.265 ( 0.000 -0.000 -4.021) 4.021 22.350 ( 0.000 -0.000 -6.838) 6.838 22.509 ( -0.000 0.000 5.001) 5.001 22.875 ( 0.000 -0.000 -4.775) 4.775 23.113 ( -0.000 0.000 0.209) 0.209 23.117 ( -0.000 0.000 0.596) 0.596 23.438 ( 0.000 -0.000 -0.615) 0.615 23.489 ( -0.000 0.000 7.916) 7.916 23.532 ( 0.000 -0.000 -3.235) 3.235 23.857 ( 0.000 -0.000 -8.008) 8.008 24.674 ( -0.000 0.000 3.854) 3.854 24.783 ( -0.000 0.000 3.460) 3.460 25.106 ( -0.000 0.000 12.491) 12.491 25.495 ( 0.000 -0.000 -6.769) 6.769 25.943 ( -0.000 0.000 4.594) 4.594 26.082 ( 0.000 -0.000 -0.065) 0.065 26.145 ( 0.000 -0.000 -4.752) 4.752 26.307 ( -0.000 0.000 2.087) 2.087 26.356 ( 0.000 -0.000 -6.993) 6.993 26.515 ( 0.000 -0.000 -2.734) 2.734 26.973 ( -0.000 0.000 2.102) 2.102 27.308 ( -0.000 0.000 1.211) 1.211 27.495 ( 0.000 -0.000 -3.549) 3.549 27.624 ( -0.000 0.000 5.955) 5.955 27.688 ( 0.000 -0.000 -1.897) 1.897 27.815 ( -0.000 0.000 0.901) 0.901 27.866 ( -0.000 0.000 2.031) 2.031 27.923 ( -0.000 0.000 3.361) 3.361 29.182 ( 0.000 -0.000 -0.960) 0.960 29.253 ( 0.000 -0.000 -1.836) 1.836 29.384 ( 0.000 -0.000 -0.332) 0.332 29.562 ( 0.000 -0.000 -0.808) 0.808 31.857 ( -0.000 0.000 5.622) 5.622 31.913 ( 0.000 -0.000 -0.950) 0.950 31.951 ( 0.000 -0.000 -1.096) 1.096 32.137 ( 0.000 -0.000 -6.566) 6.566 ======================= Grid point 144 (78/84) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.380 ( 17.604 -0.000 -0.000) 17.604 4.414 ( 16.535 -0.000 -0.000) 16.535 4.930 ( 1.202 -0.000 -0.000) 1.202 5.038 ( 29.319 -0.000 -0.000) 29.319 5.218 ( -7.202 0.000 0.000) 7.202 5.297 ( -2.177 0.000 0.000) 2.177 5.392 ( -0.477 0.000 0.000) 0.477 6.320 ( 8.711 -0.000 -0.000) 8.711 6.806 ( 6.150 -0.000 -0.000) 6.150 6.995 ( -45.176 0.000 0.000) 45.176 7.723 ( 24.101 -0.000 -0.000) 24.101 7.849 ( 2.725 -0.000 -0.000) 2.725 8.160 ( -19.391 0.000 0.000) 19.391 8.314 ( 20.012 -0.000 -0.000) 20.012 8.405 ( -15.040 0.000 0.000) 15.040 8.857 ( -55.685 0.000 0.000) 55.685 9.015 ( -26.298 0.000 0.000) 26.298 9.280 ( 4.109 -0.000 -0.000) 4.109 9.446 ( -31.315 0.000 0.000) 31.315 9.645 ( -9.956 0.000 0.000) 9.956 10.277 ( -14.492 0.000 0.000) 14.492 10.292 ( -5.680 0.000 0.000) 5.680 10.550 ( -8.341 0.000 0.000) 8.341 10.871 ( 23.288 -0.000 -0.000) 23.288 11.047 ( -2.308 0.000 0.000) 2.308 11.532 ( 62.789 -0.000 -0.000) 62.789 11.678 ( -4.678 0.000 0.000) 4.678 11.809 ( 40.319 -0.000 -0.000) 40.319 12.024 ( 31.999 -0.000 -0.000) 31.999 13.302 ( -0.212 0.000 0.000) 0.212 13.338 ( -1.947 0.000 0.000) 1.947 13.951 ( 3.511 -0.000 -0.000) 3.511 14.193 ( -18.984 0.000 0.000) 18.984 14.438 ( -13.844 0.000 0.000) 13.844 14.972 ( -13.797 0.000 0.000) 13.797 15.126 ( 5.553 -0.000 -0.000) 5.553 15.135 ( 20.914 -0.000 -0.000) 20.914 15.230 ( 25.494 -0.000 -0.000) 25.494 16.216 ( 1.768 -0.000 -0.000) 1.768 16.551 ( -23.247 0.000 0.000) 23.247 16.808 ( 0.416 -0.000 -0.000) 0.416 16.961 ( -25.059 0.000 0.000) 25.059 17.465 ( 15.011 -0.000 -0.000) 15.011 17.723 ( 7.485 -0.000 -0.000) 7.485 17.734 ( -19.595 0.000 0.000) 19.595 17.968 ( -20.520 0.000 0.000) 20.520 18.291 ( 21.511 -0.000 -0.000) 21.511 18.470 ( 16.318 -0.000 -0.000) 16.318 19.139 ( -0.985 0.000 0.000) 0.985 19.264 ( -36.731 0.000 0.000) 36.731 19.392 ( -6.429 0.000 0.000) 6.429 20.016 ( -10.775 0.000 0.000) 10.775 20.470 ( -6.683 0.000 0.000) 6.683 20.739 ( 19.310 -0.000 -0.000) 19.310 20.787 ( 11.714 -0.000 -0.000) 11.714 21.348 ( 36.193 -0.000 -0.000) 36.193 21.793 ( -11.234 0.000 0.000) 11.234 22.032 ( -21.158 0.000 0.000) 21.158 22.161 ( 3.754 -0.000 -0.000) 3.754 22.168 ( 1.971 -0.000 -0.000) 1.971 22.251 ( -0.268 0.000 0.000) 0.268 22.519 ( -1.445 0.000 0.000) 1.445 22.597 ( -4.347 0.000 0.000) 4.347 22.787 ( -7.069 0.000 0.000) 7.069 22.801 ( 15.356 -0.000 -0.000) 15.356 22.848 ( 5.988 -0.000 -0.000) 5.988 22.996 ( 5.961 -0.000 -0.000) 5.961 23.197 ( 12.952 -0.000 -0.000) 12.952 24.266 ( 1.064 -0.000 -0.000) 1.064 24.339 ( -0.809 0.000 0.000) 0.809 24.350 ( 0.947 -0.000 -0.000) 0.947 24.423 ( -3.364 0.000 0.000) 3.364 25.312 ( -32.886 0.000 0.000) 32.886 25.833 ( -2.629 0.000 0.000) 2.629 25.904 ( -8.268 0.000 0.000) 8.268 25.970 ( 0.726 -0.000 -0.000) 0.726 26.140 ( 5.947 -0.000 -0.000) 5.947 26.323 ( 14.306 -0.000 -0.000) 14.306 26.462 ( -1.868 0.000 0.000) 1.868 26.669 ( 2.925 -0.000 -0.000) 2.925 27.051 ( -8.032 0.000 0.000) 8.032 27.376 ( -1.786 0.000 0.000) 1.786 27.386 ( -4.700 0.000 0.000) 4.700 27.475 ( 6.370 -0.000 -0.000) 6.370 27.486 ( 3.350 -0.000 -0.000) 3.350 27.644 ( 5.354 -0.000 -0.000) 5.354 27.896 ( -4.169 0.000 0.000) 4.169 27.939 ( -0.536 0.000 0.000) 0.536 29.292 ( 0.737 -0.000 -0.000) 0.737 29.333 ( -2.759 0.000 0.000) 2.759 29.435 ( -0.424 0.000 0.000) 0.424 29.502 ( 2.707 -0.000 -0.000) 2.707 31.729 ( -2.372 0.000 0.000) 2.372 31.940 ( 3.190 -0.000 -0.000) 3.190 32.048 ( -4.406 0.000 0.000) 4.406 32.269 ( 4.837 -0.000 -0.000) 4.837 ======================= Grid point 156 (79/84) ======================= q-point: ( 0.65 -0.52 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.640 ( 7.906 -0.000 -3.394) 8.604 4.748 ( -2.541 0.000 39.270) 39.353 5.113 ( -6.187 0.000 10.582) 12.258 5.208 ( -3.023 0.000 -5.052) 5.887 5.273 ( -8.082 0.000 19.478) 21.089 5.568 ( 17.906 -0.000 -2.393) 18.066 5.754 ( 30.006 -0.000 3.969) 30.267 6.292 ( -25.820 0.000 3.534) 26.060 6.436 ( 2.079 -0.000 3.967) 4.479 7.147 ( 13.216 -0.000 15.894) 20.671 7.891 ( -9.466 0.000 0.266) 9.470 7.942 ( -19.904 0.000 2.450) 20.055 8.030 ( -12.650 0.000 13.456) 18.468 8.035 ( -2.079 0.000 9.977) 10.191 8.276 ( -24.836 0.000 0.705) 24.846 8.452 ( -4.670 0.000 13.777) 14.547 8.648 ( -8.675 0.000 2.521) 9.033 8.841 ( 6.736 -0.000 -6.708) 9.506 9.407 ( -7.174 0.000 -1.604) 7.351 9.827 ( 5.156 -0.000 26.082) 26.587 10.084 ( -5.739 0.000 3.811) 6.889 10.248 ( -4.572 0.000 4.001) 6.075 10.401 ( -17.394 0.000 13.830) 22.222 11.058 ( -0.885 0.000 3.362) 3.476 11.286 ( 16.854 -0.000 -0.495) 16.861 11.628 ( -1.151 0.000 0.079) 1.154 12.438 ( 24.590 -0.000 -7.385) 25.675 12.484 ( 41.462 -0.000 -20.957) 46.458 12.607 ( 28.583 -0.000 -13.975) 31.816 13.142 ( -0.497 -0.000 -13.001) 13.010 13.428 ( 1.780 -0.000 6.758) 6.989 13.615 ( -15.382 0.000 -24.081) 28.575 13.964 ( 2.776 -0.000 -5.465) 6.130 14.363 ( -2.508 0.000 18.042) 18.215 14.538 ( -18.295 0.000 -5.406) 19.077 15.210 ( 1.772 -0.000 1.295) 2.195 15.312 ( 13.624 -0.000 -18.372) 22.873 15.944 ( 25.746 -0.000 12.576) 28.654 16.171 ( 1.116 -0.000 -6.840) 6.930 16.327 ( -10.772 0.000 14.477) 18.045 16.525 ( -20.423 0.000 3.517) 20.724 16.793 ( 0.666 -0.000 -3.812) 3.870 16.950 ( -25.764 0.000 -13.571) 29.120 17.673 ( 6.474 -0.000 -0.927) 6.540 17.767 ( -6.666 0.000 5.473) 8.625 17.912 ( -3.396 0.000 13.682) 14.098 18.657 ( 15.133 -0.000 -4.229) 15.713 18.710 ( 8.006 -0.000 0.486) 8.021 18.831 ( -11.213 0.000 5.474) 12.477 19.196 ( 1.111 -0.000 4.419) 4.557 19.219 ( -16.608 0.000 5.251) 17.418 19.910 ( -2.217 0.000 -0.487) 2.269 20.379 ( -3.485 0.000 1.298) 3.719 20.791 ( 15.445 -0.000 -15.052) 21.567 20.932 ( 6.538 -0.000 -5.076) 8.277 21.462 ( -10.390 0.000 -9.490) 14.071 21.677 ( -16.543 0.000 3.672) 16.946 22.077 ( 11.497 -0.000 -4.862) 12.482 22.100 ( 0.655 -0.000 -8.761) 8.786 22.252 ( 0.124 0.000 1.115) 1.122 22.290 ( 2.782 -0.000 -3.423) 4.411 22.499 ( 0.736 -0.000 -1.895) 2.033 22.621 ( 19.662 -0.000 8.017) 21.233 22.634 ( -5.976 0.000 -2.270) 6.393 22.950 ( 3.608 -0.000 0.312) 3.621 23.043 ( 7.862 -0.000 0.048) 7.862 23.095 ( 4.077 -0.000 0.173) 4.080 23.390 ( 7.887 -0.000 -1.320) 7.997 24.076 ( -12.487 0.000 -11.210) 16.781 24.169 ( 0.258 -0.000 -7.480) 7.485 24.461 ( -0.024 0.000 5.108) 5.108 24.496 ( 2.074 -0.000 7.643) 7.919 24.804 ( -24.318 0.000 11.293) 26.813 25.738 ( -6.414 0.000 -1.591) 6.609 25.807 ( -2.003 0.000 2.471) 3.181 26.009 ( 0.954 -0.000 2.101) 2.308 26.240 ( 2.626 -0.000 0.934) 2.787 26.388 ( -1.058 0.000 -4.094) 4.228 26.535 ( 6.744 -0.000 -0.754) 6.787 26.653 ( 1.196 -0.000 -5.571) 5.698 26.931 ( -3.851 0.000 0.766) 3.927 27.312 ( -2.510 0.000 0.016) 2.510 27.388 ( -1.066 0.000 4.090) 4.227 27.571 ( 3.911 -0.000 -1.406) 4.156 27.586 ( 2.160 -0.000 3.871) 4.433 27.745 ( 3.117 -0.000 1.372) 3.406 27.818 ( -2.778 0.000 -0.049) 2.778 27.905 ( -0.726 0.000 -1.752) 1.897 29.270 ( -1.594 0.000 -1.597) 2.256 29.300 ( 0.520 -0.000 -0.571) 0.772 29.421 ( -0.119 -0.000 -0.878) 0.886 29.552 ( 1.460 -0.000 0.468) 1.533 31.709 ( -1.187 0.000 1.865) 2.211 31.971 ( -2.366 0.000 -0.637) 2.450 31.982 ( 1.626 -0.000 -0.750) 1.791 32.319 ( 2.627 -0.000 -2.807) 3.844 ======================= Grid point 165 (80/84) ======================= q-point: (-0.38 0.38 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.575 ( -0.000 -45.290 -0.000) 45.290 3.958 ( -0.000 -54.162 -0.000) 54.162 5.095 ( 0.000 9.275 0.000) 9.275 5.166 ( 0.000 7.308 0.000) 7.308 5.606 ( 0.000 26.132 0.000) 26.132 5.704 ( -0.000 -5.365 -0.000) 5.365 6.296 ( 0.000 15.064 0.000) 15.064 6.328 ( -0.000 -2.196 -0.000) 2.196 6.533 ( 0.000 27.630 0.000) 27.630 6.774 ( -0.000 -83.978 -0.000) 83.978 7.051 ( -0.000 -12.994 -0.000) 12.994 7.465 ( -0.000 -2.714 -0.000) 2.714 7.602 ( 0.000 8.541 0.000) 8.541 7.905 ( 0.000 12.468 0.000) 12.468 8.181 ( -0.000 -10.291 -0.000) 10.291 8.396 ( 0.000 12.212 0.000) 12.212 8.661 ( -0.000 -14.053 -0.000) 14.053 8.849 ( 0.000 17.662 0.000) 17.662 9.405 ( 0.000 0.780 0.000) 0.780 9.529 ( 0.000 10.696 0.000) 10.696 10.156 ( 0.000 1.357 0.000) 1.357 10.175 ( 0.000 1.949 0.000) 1.949 10.843 ( -0.000 -13.704 -0.000) 13.704 11.020 ( 0.000 64.411 0.000) 64.411 11.415 ( -0.000 -18.659 -0.000) 18.659 11.464 ( 0.000 0.714 0.000) 0.714 12.785 ( 0.000 1.475 0.000) 1.475 13.133 ( -0.000 -7.720 -0.000) 7.720 13.260 ( -0.000 -6.705 -0.000) 6.705 13.380 ( 0.000 7.127 0.000) 7.127 13.607 ( -0.000 -0.487 -0.000) 0.487 13.641 ( 0.000 2.237 0.000) 2.237 13.819 ( 0.000 2.662 0.000) 2.662 14.156 ( 0.000 2.888 0.000) 2.888 14.237 ( -0.000 -5.901 -0.000) 5.901 15.120 ( -0.000 -6.783 -0.000) 6.783 15.859 ( 0.000 2.519 0.000) 2.519 15.990 ( -0.000 -3.801 -0.000) 3.801 16.022 ( 0.000 0.689 0.000) 0.689 16.231 ( -0.000 -0.199 -0.000) 0.199 16.406 ( 0.000 9.177 0.000) 9.177 16.715 ( -0.000 -2.816 -0.000) 2.816 16.747 ( -0.000 -9.970 -0.000) 9.970 17.410 ( 0.000 0.396 0.000) 0.396 17.699 ( -0.000 -4.019 -0.000) 4.019 17.752 ( 0.000 0.191 0.000) 0.191 18.688 ( -0.000 -0.227 -0.000) 0.227 18.853 ( 0.000 10.557 0.000) 10.557 18.890 ( -0.000 -1.312 -0.000) 1.312 19.031 ( -0.000 -0.551 -0.000) 0.551 19.203 ( 0.000 1.807 0.000) 1.807 19.881 ( -0.000 -2.945 -0.000) 2.945 20.450 ( 0.000 11.304 0.000) 11.304 20.869 ( -0.000 -0.594 -0.000) 0.594 21.293 ( -0.000 -1.292 -0.000) 1.292 21.421 ( 0.000 0.238 0.000) 0.238 21.444 ( 0.000 3.166 0.000) 3.166 22.194 ( -0.000 -0.656 -0.000) 0.656 22.207 ( -0.000 -0.103 -0.000) 0.103 22.215 ( -0.000 -1.544 -0.000) 1.544 22.523 ( -0.000 -2.460 -0.000) 2.460 22.545 ( -0.000 -1.845 -0.000) 1.845 22.554 ( -0.000 -1.565 -0.000) 1.565 22.785 ( 0.000 0.019 0.000) 0.019 22.914 ( -0.000 -3.388 -0.000) 3.388 23.129 ( -0.000 -0.063 -0.000) 0.063 23.153 ( 0.000 0.137 0.000) 0.137 23.483 ( 0.000 0.490 0.000) 0.490 23.995 ( -0.000 -0.144 -0.000) 0.144 24.286 ( -0.000 -3.339 -0.000) 3.339 24.317 ( 0.000 0.167 0.000) 0.167 24.360 ( -0.000 -0.798 -0.000) 0.798 24.454 ( -0.000 -0.836 -0.000) 0.836 25.682 ( -0.000 -0.701 -0.000) 0.701 25.783 ( 0.000 2.485 0.000) 2.485 26.015 ( 0.000 2.427 0.000) 2.427 26.257 ( -0.000 -0.435 -0.000) 0.435 26.433 ( 0.000 1.282 0.000) 1.282 26.637 ( 0.000 1.910 0.000) 1.910 26.705 ( -0.000 -1.764 -0.000) 1.764 26.908 ( 0.000 3.006 0.000) 3.006 27.293 ( 0.000 0.555 0.000) 0.555 27.331 ( -0.000 -0.227 -0.000) 0.227 27.551 ( -0.000 -1.472 -0.000) 1.472 27.552 ( -0.000 -5.989 -0.000) 5.989 27.777 ( -0.000 -0.586 -0.000) 0.586 27.811 ( 0.000 3.404 0.000) 3.404 27.939 ( 0.000 1.932 0.000) 1.932 29.266 ( -0.000 -0.305 -0.000) 0.305 29.330 ( 0.000 1.906 0.000) 1.906 29.418 ( -0.000 -1.076 -0.000) 1.076 29.562 ( -0.000 -0.142 -0.000) 0.142 31.680 ( 0.000 0.368 0.000) 0.368 31.952 ( 0.000 0.011 0.000) 0.011 31.989 ( -0.000 -1.775 -0.000) 1.775 32.374 ( -0.000 -0.288 -0.000) 0.288 ======================= Grid point 166 (81/84) ======================= q-point: ( 0.62 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.597 ( 0.000 -0.000 -7.547) 7.547 4.999 ( 0.000 -0.000 -7.864) 7.864 5.269 ( -0.000 0.000 11.526) 11.526 5.442 ( -0.000 0.000 10.828) 10.828 5.689 ( -0.000 0.000 0.404) 0.404 5.889 ( -0.000 0.000 49.517) 49.517 6.153 ( -0.000 0.000 13.847) 13.847 6.283 ( -0.000 0.000 10.839) 10.839 6.494 ( 0.000 -0.000 -5.550) 5.550 7.561 ( 0.000 -0.000 -35.255) 35.255 7.672 ( -0.000 0.000 5.587) 5.587 7.699 ( 0.000 -0.000 -1.530) 1.530 7.907 ( -0.000 0.000 21.676) 21.676 8.207 ( -0.000 0.000 32.007) 32.007 8.473 ( -0.000 0.000 30.018) 30.018 8.914 ( -0.000 0.000 26.539) 26.539 8.944 ( -0.000 0.000 7.430) 7.430 9.164 ( -0.000 0.000 49.977) 49.977 9.169 ( 0.000 -0.000 -10.194) 10.194 10.108 ( 0.000 -0.000 -3.179) 3.179 10.214 ( -0.000 0.000 14.217) 14.217 10.274 ( -0.000 0.000 4.859) 4.859 10.890 ( -0.000 0.000 45.398) 45.398 11.112 ( -0.000 0.000 2.353) 2.353 11.478 ( -0.000 0.000 2.434) 2.434 11.624 ( -0.000 0.000 0.760) 0.760 12.232 ( 0.000 -0.000 -38.462) 38.462 12.338 ( 0.000 -0.000 -29.244) 29.244 12.426 ( 0.000 -0.000 -22.248) 22.248 12.713 ( 0.000 -0.000 -31.306) 31.306 12.787 ( 0.000 -0.000 -38.010) 38.010 13.620 ( -0.000 0.000 9.386) 9.386 13.874 ( 0.000 -0.000 -2.798) 2.798 14.299 ( 0.000 -0.000 -2.482) 2.482 14.920 ( 0.000 -0.000 -23.833) 23.833 14.924 ( -0.000 0.000 26.379) 26.379 15.225 ( 0.000 -0.000 -2.556) 2.556 16.014 ( 0.000 -0.000 -9.320) 9.320 16.377 ( -0.000 0.000 5.777) 5.777 16.388 ( 0.000 -0.000 -11.574) 11.574 16.539 ( -0.000 0.000 4.190) 4.190 16.641 ( -0.000 0.000 23.560) 23.560 16.721 ( 0.000 -0.000 -0.386) 0.386 17.692 ( 0.000 -0.000 -3.363) 3.363 17.829 ( -0.000 0.000 7.125) 7.125 18.491 ( -0.000 0.000 35.849) 35.849 18.630 ( 0.000 -0.000 -12.668) 12.668 18.782 ( -0.000 0.000 5.356) 5.356 18.806 ( 0.000 -0.000 -0.407) 0.407 19.085 ( -0.000 0.000 3.884) 3.884 19.326 ( -0.000 0.000 6.978) 6.978 19.857 ( 0.000 -0.000 -2.706) 2.706 20.388 ( -0.000 0.000 2.934) 2.934 20.743 ( 0.000 -0.000 -23.427) 23.427 20.820 ( 0.000 -0.000 -13.053) 13.053 21.042 ( 0.000 -0.000 -6.329) 6.329 21.571 ( -0.000 0.000 0.765) 0.765 21.876 ( 0.000 -0.000 -12.899) 12.899 21.937 ( 0.000 -0.000 -10.643) 10.643 22.155 ( 0.000 -0.000 -2.525) 2.525 22.300 ( -0.000 0.000 1.409) 1.409 22.469 ( 0.000 -0.000 -4.953) 4.953 22.473 ( 0.000 -0.000 -1.956) 1.956 22.943 ( 0.000 -0.000 -1.864) 1.864 23.093 ( -0.000 0.000 2.272) 2.272 23.114 ( 0.000 -0.000 -0.289) 0.289 23.314 ( -0.000 0.000 9.002) 9.002 23.454 ( 0.000 -0.000 -0.925) 0.925 23.640 ( 0.000 -0.000 -7.605) 7.605 24.013 ( 0.000 -0.000 -7.673) 7.673 24.580 ( -0.000 0.000 4.921) 4.921 24.675 ( -0.000 0.000 6.875) 6.875 24.826 ( -0.000 0.000 14.981) 14.981 25.606 ( 0.000 -0.000 -4.244) 4.244 25.855 ( -0.000 0.000 4.039) 4.039 26.069 ( -0.000 0.000 1.742) 1.742 26.267 ( 0.000 -0.000 -6.441) 6.441 26.278 ( -0.000 0.000 0.912) 0.912 26.517 ( 0.000 -0.000 -8.402) 8.402 26.565 ( 0.000 -0.000 -2.209) 2.209 26.930 ( -0.000 0.000 2.085) 2.085 27.291 ( -0.000 0.000 0.516) 0.516 27.490 ( -0.000 0.000 6.680) 6.680 27.563 ( 0.000 -0.000 -3.031) 3.031 27.688 ( -0.000 0.000 2.687) 2.687 27.799 ( -0.000 0.000 0.700) 0.700 27.820 ( -0.000 0.000 2.403) 2.403 27.870 ( -0.000 0.000 0.442) 0.442 29.215 ( 0.000 -0.000 -2.048) 2.048 29.287 ( 0.000 -0.000 -1.334) 1.334 29.399 ( 0.000 -0.000 -1.034) 1.034 29.571 ( 0.000 -0.000 -0.044) 0.044 31.759 ( -0.000 0.000 4.020) 4.020 31.932 ( 0.000 -0.000 -0.886) 0.886 31.976 ( 0.000 -0.000 -1.302) 1.302 32.260 ( 0.000 -0.000 -5.359) 5.359 ======================= Grid point 188 (82/84) ======================= q-point: ( 0.58 -0.58 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.261 ( -11.900 0.000 0.000) 11.900 4.674 ( 9.768 -0.000 -0.000) 9.768 4.993 ( -14.349 0.000 0.000) 14.349 5.092 ( 0.889 -0.000 -0.000) 0.889 5.262 ( -1.161 0.000 0.000) 1.161 5.607 ( 23.910 -0.000 -0.000) 23.910 5.723 ( 29.893 -0.000 -0.000) 29.893 6.268 ( -23.711 0.000 0.000) 23.711 6.362 ( -0.706 0.000 0.000) 0.706 6.985 ( 11.728 -0.000 -0.000) 11.728 7.755 ( -10.422 0.000 0.000) 10.422 7.896 ( -30.065 0.000 0.000) 30.065 7.922 ( -35.381 0.000 0.000) 35.381 7.994 ( 1.365 -0.000 -0.000) 1.365 8.148 ( 14.902 -0.000 -0.000) 14.902 8.410 ( -18.529 0.000 0.000) 18.529 8.725 ( -5.805 0.000 0.000) 5.805 9.028 ( 0.624 -0.000 -0.000) 0.624 9.325 ( 1.788 -0.000 -0.000) 1.788 9.488 ( -5.960 0.000 0.000) 5.960 10.045 ( -8.129 0.000 0.000) 8.129 10.210 ( -2.415 0.000 0.000) 2.415 10.303 ( -13.153 0.000 0.000) 13.153 11.019 ( -0.710 0.000 0.000) 0.710 11.286 ( 16.174 -0.000 -0.000) 16.174 11.627 ( -1.156 0.000 0.000) 1.156 12.509 ( 25.960 -0.000 -0.000) 25.960 12.719 ( 53.441 -0.000 -0.000) 53.441 12.753 ( 35.605 -0.000 -0.000) 35.605 13.301 ( 0.011 -0.000 -0.000) 0.011 13.317 ( 0.072 -0.000 -0.000) 0.072 13.896 ( -10.304 0.000 0.000) 10.304 14.043 ( 5.657 -0.000 -0.000) 5.657 14.125 ( -18.614 0.000 0.000) 18.614 14.602 ( -21.488 0.000 0.000) 21.488 15.192 ( 1.053 -0.000 -0.000) 1.053 15.574 ( 21.057 -0.000 -0.000) 21.057 15.730 ( 23.471 -0.000 -0.000) 23.471 16.163 ( -14.264 0.000 0.000) 14.264 16.243 ( 0.372 -0.000 -0.000) 0.372 16.492 ( -19.095 0.000 0.000) 19.095 16.835 ( 1.814 -0.000 -0.000) 1.814 17.155 ( -30.916 0.000 0.000) 30.916 17.639 ( -14.918 0.000 0.000) 14.918 17.681 ( 6.888 -0.000 -0.000) 6.888 17.778 ( -3.890 0.000 0.000) 3.890 18.676 ( 8.731 -0.000 -0.000) 8.731 18.719 ( 14.654 -0.000 -0.000) 14.654 18.771 ( -11.204 0.000 0.000) 11.204 19.154 ( 2.149 -0.000 -0.000) 2.149 19.175 ( -11.950 0.000 0.000) 11.950 19.915 ( -1.108 0.000 0.000) 1.108 20.367 ( -3.594 0.000 0.000) 3.594 20.866 ( 0.924 -0.000 -0.000) 0.924 21.083 ( 14.922 -0.000 -0.000) 14.922 21.549 ( -12.129 0.000 0.000) 12.129 21.651 ( -15.716 0.000 0.000) 15.716 22.115 ( 20.384 -0.000 -0.000) 20.384 22.194 ( 0.767 -0.000 -0.000) 0.767 22.237 ( -0.749 0.000 0.000) 0.749 22.306 ( 23.675 -0.000 -0.000) 23.675 22.521 ( 1.360 -0.000 -0.000) 1.360 22.553 ( -0.584 0.000 0.000) 0.584 22.657 ( -5.643 0.000 0.000) 5.643 22.945 ( 3.142 -0.000 -0.000) 3.142 23.043 ( 8.435 -0.000 -0.000) 8.435 23.093 ( 3.863 -0.000 -0.000) 3.863 23.404 ( 7.273 -0.000 -0.000) 7.273 24.270 ( -9.488 0.000 0.000) 9.488 24.298 ( 1.837 -0.000 -0.000) 1.837 24.350 ( -3.290 0.000 0.000) 3.290 24.364 ( 0.468 -0.000 -0.000) 0.468 24.669 ( -26.055 0.000 0.000) 26.055 25.753 ( -6.079 0.000 0.000) 6.079 25.780 ( -2.138 0.000 0.000) 2.138 25.983 ( 0.534 -0.000 -0.000) 0.534 26.231 ( 3.121 -0.000 -0.000) 3.121 26.431 ( -1.103 0.000 0.000) 1.103 26.543 ( 7.341 -0.000 -0.000) 7.341 26.711 ( 1.265 -0.000 -0.000) 1.265 26.923 ( -4.467 0.000 0.000) 4.467 27.312 ( -2.557 0.000 0.000) 2.557 27.345 ( -1.147 0.000 0.000) 1.147 27.544 ( 2.154 -0.000 -0.000) 2.154 27.585 ( 4.216 -0.000 -0.000) 4.216 27.729 ( 2.992 -0.000 -0.000) 2.992 27.819 ( -3.196 0.000 0.000) 3.196 27.926 ( -0.625 0.000 0.000) 0.625 29.287 ( -1.698 0.000 0.000) 1.698 29.305 ( 0.477 -0.000 -0.000) 0.477 29.430 ( -0.116 0.000 0.000) 0.116 29.546 ( 1.614 -0.000 -0.000) 1.614 31.690 ( -1.385 0.000 0.000) 1.385 31.977 ( -2.480 0.000 0.000) 2.480 31.990 ( 1.750 -0.000 -0.000) 1.750 32.348 ( 2.838 -0.000 -0.000) 2.838 ======================= Grid point 198 (83/84) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.729 ( 0.000 -0.000 -4.761) 4.761 4.744 ( -0.000 0.000 53.673) 53.673 4.968 ( -0.000 0.000 14.641) 14.641 5.167 ( 0.000 -0.000 -7.452) 7.452 5.198 ( -0.000 0.000 10.585) 10.585 5.751 ( 0.000 -0.000 -6.879) 6.879 6.045 ( -0.000 0.000 0.480) 0.480 6.144 ( -0.000 0.000 3.236) 3.236 6.485 ( -0.000 0.000 6.643) 6.643 7.351 ( -0.000 0.000 14.954) 14.954 7.597 ( -0.000 0.000 9.397) 9.397 7.690 ( -0.000 0.000 17.196) 17.196 7.921 ( -0.000 0.000 12.826) 12.826 7.924 ( 0.000 -0.000 -11.277) 11.277 8.052 ( -0.000 0.000 8.827) 8.827 8.460 ( -0.000 0.000 14.784) 14.784 8.574 ( 0.000 -0.000 -0.588) 0.588 8.956 ( 0.000 -0.000 -5.111) 5.111 9.327 ( 0.000 -0.000 -5.219) 5.219 9.958 ( -0.000 0.000 41.783) 41.783 10.023 ( -0.000 0.000 5.903) 5.903 10.139 ( 0.000 -0.000 -0.535) 0.535 10.207 ( -0.000 0.000 2.024) 2.024 11.050 ( -0.000 0.000 3.167) 3.167 11.466 ( -0.000 0.000 0.571) 0.571 11.617 ( -0.000 0.000 0.076) 0.076 12.685 ( 0.000 -0.000 -8.962) 8.962 12.955 ( 0.000 -0.000 -23.050) 23.050 12.988 ( 0.000 -0.000 -36.289) 36.289 13.135 ( 0.000 -0.000 -12.667) 12.667 13.392 ( 0.000 -0.000 -21.058) 21.058 13.447 ( -0.000 0.000 7.471) 7.471 14.005 ( 0.000 -0.000 -8.986) 8.986 14.308 ( -0.000 0.000 0.630) 0.630 14.355 ( -0.000 0.000 30.044) 30.044 15.217 ( -0.000 0.000 1.815) 1.815 15.448 ( 0.000 -0.000 -25.929) 25.929 16.176 ( 0.000 -0.000 -5.189) 5.189 16.209 ( -0.000 0.000 17.584) 17.584 16.303 ( -0.000 0.000 0.911) 0.911 16.313 ( -0.000 0.000 14.730) 14.730 16.605 ( 0.000 -0.000 -10.130) 10.130 16.809 ( 0.000 -0.000 -4.723) 4.723 17.663 ( -0.000 0.000 13.464) 13.464 17.737 ( 0.000 -0.000 -1.311) 1.311 17.873 ( -0.000 0.000 19.326) 19.326 18.709 ( -0.000 0.000 2.021) 2.021 18.774 ( -0.000 0.000 2.946) 2.946 18.832 ( 0.000 -0.000 -7.082) 7.082 19.044 ( -0.000 0.000 0.826) 0.826 19.216 ( -0.000 0.000 3.384) 3.384 19.898 ( 0.000 -0.000 -1.296) 1.296 20.344 ( -0.000 0.000 1.455) 1.455 20.884 ( -0.000 0.000 0.708) 0.708 21.147 ( 0.000 -0.000 -15.167) 15.167 21.287 ( 0.000 -0.000 -11.623) 11.623 21.475 ( -0.000 0.000 5.227) 5.227 22.106 ( 0.000 -0.000 -8.892) 8.892 22.194 ( 0.000 -0.000 -1.246) 1.246 22.253 ( -0.000 0.000 2.178) 2.178 22.275 ( 0.000 -0.000 -18.651) 18.651 22.535 ( 0.000 -0.000 -2.907) 2.907 22.545 ( 0.000 -0.000 -2.429) 2.429 22.957 ( -0.000 0.000 0.067) 0.067 22.977 ( -0.000 0.000 10.148) 10.148 23.123 ( 0.000 -0.000 -0.485) 0.485 23.179 ( -0.000 0.000 3.285) 3.285 23.471 ( 0.000 -0.000 -0.645) 0.645 23.832 ( 0.000 -0.000 -10.894) 10.894 24.172 ( 0.000 -0.000 -8.137) 8.137 24.495 ( -0.000 0.000 3.108) 3.108 24.519 ( -0.000 0.000 14.827) 14.827 24.519 ( -0.000 0.000 8.287) 8.287 25.668 ( 0.000 -0.000 -1.987) 1.987 25.786 ( -0.000 0.000 2.636) 2.636 26.019 ( -0.000 0.000 2.584) 2.584 26.266 ( -0.000 0.000 0.336) 0.336 26.377 ( 0.000 -0.000 -4.086) 4.086 26.602 ( 0.000 -0.000 -1.382) 1.382 26.665 ( 0.000 -0.000 -5.583) 5.583 26.893 ( -0.000 0.000 1.423) 1.423 27.286 ( -0.000 0.000 0.027) 0.027 27.377 ( -0.000 0.000 4.179) 4.179 27.608 ( -0.000 0.000 3.850) 3.850 27.612 ( 0.000 -0.000 -1.758) 1.758 27.777 ( -0.000 0.000 1.655) 1.655 27.788 ( -0.000 0.000 0.420) 0.420 27.896 ( 0.000 -0.000 -1.942) 1.942 29.253 ( 0.000 -0.000 -1.511) 1.511 29.305 ( 0.000 -0.000 -0.534) 0.534 29.420 ( 0.000 -0.000 -0.880) 0.880 29.567 ( -0.000 0.000 0.331) 0.331 31.697 ( -0.000 0.000 2.074) 2.074 31.946 ( 0.000 -0.000 -0.534) 0.534 31.999 ( 0.000 -0.000 -0.872) 0.872 32.346 ( 0.000 -0.000 -3.020) 3.020 ======================= Grid point 220 (84/84) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 1.35e-03 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.130 ( -0.000 0.000 0.000) 0.000 4.776 ( 0.000 0.000 -0.000) 0.000 4.805 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.250 ( -0.000 0.000 0.000) 0.000 5.875 ( 0.000 0.000 -0.000) 0.000 6.048 ( 0.000 0.000 -0.000) 0.000 6.121 ( 0.000 0.000 0.000) 0.000 6.351 ( 0.000 0.000 -0.000) 0.000 7.183 ( -0.000 0.000 0.000) 0.000 7.507 ( -0.000 0.000 0.000) 0.000 7.526 ( 0.000 0.000 0.000) 0.000 7.639 ( -0.000 0.000 0.000) 0.000 8.018 ( 0.000 0.000 0.000) 0.000 8.078 ( 0.000 0.000 0.000) 0.000 8.293 ( 0.000 0.000 -0.000) 0.000 8.674 ( 0.000 0.000 -0.000) 0.000 9.123 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 0.000) 0.000 9.394 ( -0.000 0.000 0.000) 0.000 9.963 ( 0.000 0.000 -0.000) 0.000 10.143 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 -0.000) 0.000 11.013 ( 0.000 0.000 -0.000) 0.000 11.458 ( 0.000 0.000 -0.000) 0.000 11.617 ( 0.000 0.000 -0.000) 0.000 12.766 ( 0.000 0.000 0.000) 0.000 13.207 ( -0.000 0.000 0.000) 0.000 13.297 ( 0.000 0.000 -0.000) 0.000 13.328 ( 0.000 0.000 0.000) 0.000 13.607 ( 0.000 0.000 0.000) 0.000 13.615 ( 0.000 0.000 0.000) 0.000 13.791 ( 0.000 0.000 -0.000) 0.000 14.122 ( -0.000 0.000 0.000) 0.000 14.299 ( 0.000 0.000 0.000) 0.000 15.194 ( -0.000 0.000 0.000) 0.000 15.832 ( 0.000 0.000 -0.000) 0.000 16.015 ( 0.000 0.000 0.000) 0.000 16.049 ( 0.000 0.000 -0.000) 0.000 16.212 ( 0.000 0.000 0.000) 0.000 16.316 ( 0.000 0.000 0.000) 0.000 16.745 ( 0.000 0.000 -0.000) 0.000 16.860 ( 0.000 0.000 0.000) 0.000 17.406 ( 0.000 0.000 0.000) 0.000 17.743 ( 0.000 0.000 -0.000) 0.000 17.749 ( 0.000 0.000 -0.000) 0.000 18.691 ( 0.000 0.000 0.000) 0.000 18.734 ( -0.000 0.000 0.000) 0.000 18.905 ( 0.000 0.000 -0.000) 0.000 19.037 ( 0.000 0.000 -0.000) 0.000 19.185 ( 0.000 0.000 -0.000) 0.000 19.911 ( -0.000 0.000 0.000) 0.000 20.330 ( 0.000 0.000 0.000) 0.000 20.873 ( -0.000 0.000 0.000) 0.000 21.306 ( 0.000 0.000 0.000) 0.000 21.411 ( 0.000 0.000 -0.000) 0.000 21.418 ( 0.000 0.000 -0.000) 0.000 22.201 ( 0.000 0.000 0.000) 0.000 22.206 ( 0.000 0.000 0.000) 0.000 22.229 ( 0.000 0.000 -0.000) 0.000 22.551 ( 0.000 0.000 -0.000) 0.000 22.566 ( 0.000 0.000 -0.000) 0.000 22.568 ( 0.000 0.000 -0.000) 0.000 22.785 ( 0.000 0.000 -0.000) 0.000 22.954 ( 0.000 0.000 -0.000) 0.000 23.129 ( 0.000 0.000 -0.000) 0.000 23.153 ( 0.000 0.000 -0.000) 0.000 23.478 ( 0.000 0.000 -0.000) 0.000 23.997 ( 0.000 0.000 0.000) 0.000 24.314 ( 0.000 0.000 0.000) 0.000 24.321 ( 0.000 0.000 -0.000) 0.000 24.369 ( 0.000 0.000 -0.000) 0.000 24.463 ( 0.000 0.000 0.000) 0.000 25.688 ( 0.000 0.000 -0.000) 0.000 25.757 ( 0.000 0.000 -0.000) 0.000 25.989 ( 0.000 0.000 0.000) 0.000 26.263 ( 0.000 0.000 -0.000) 0.000 26.420 ( 0.000 0.000 -0.000) 0.000 26.616 ( 0.000 0.000 -0.000) 0.000 26.723 ( 0.000 0.000 0.000) 0.000 26.878 ( 0.000 0.000 -0.000) 0.000 27.286 ( 0.000 0.000 -0.000) 0.000 27.333 ( 0.000 0.000 -0.000) 0.000 27.566 ( 0.000 0.000 -0.000) 0.000 27.630 ( 0.000 0.000 -0.000) 0.000 27.760 ( 0.000 0.000 0.000) 0.000 27.783 ( 0.000 0.000 -0.000) 0.000 27.919 ( 0.000 0.000 -0.000) 0.000 29.269 ( 0.000 0.000 -0.000) 0.000 29.310 ( 0.000 0.000 -0.000) 0.000 29.429 ( 0.000 0.000 -0.000) 0.000 29.563 ( 0.000 0.000 -0.000) 0.000 31.676 ( 0.000 0.000 0.000) 0.000 31.952 ( 0.000 0.000 -0.000) 0.000 32.008 ( 0.000 0.000 -0.000) 0.000 32.377 ( 0.000 0.000 0.000) 0.000 =================== 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 3/36864 10.0 665.706 600.442 410.135 0.000 -0.000 -0.000 3/36864 20.0 3541.583 3753.169 3124.041 0.000 -0.000 -0.000 3/36864 30.0 2119.831 2697.341 2698.365 0.000 -0.000 0.000 3/36864 40.0 1123.364 1490.204 1486.463 0.000 -0.000 0.000 3/36864 50.0 664.617 901.062 915.296 0.000 -0.000 0.000 3/36864 60.0 433.416 590.063 613.005 0.000 -0.000 0.000 3/36864 70.0 305.867 414.241 437.105 0.000 -0.000 0.000 3/36864 80.0 229.795 307.988 328.505 0.000 -0.000 0.000 3/36864 90.0 181.241 239.732 257.872 0.000 -0.000 0.000 3/36864 100.0 148.391 193.477 209.684 0.000 -0.000 0.000 3/36864 110.0 125.036 160.671 175.370 0.000 -0.000 0.000 3/36864 120.0 107.727 136.495 149.996 0.000 -0.000 0.000 3/36864 130.0 94.446 118.093 130.612 0.000 -0.000 0.000 3/36864 140.0 83.956 103.703 115.386 0.000 -0.000 0.000 3/36864 150.0 75.473 92.189 103.142 0.000 -0.000 0.000 3/36864 160.0 68.476 82.798 93.099 0.000 -0.000 0.000 3/36864 170.0 62.611 75.011 84.723 0.000 -0.000 0.000 3/36864 180.0 57.628 68.464 77.641 0.000 -0.000 0.000 3/36864 190.0 53.347 62.892 71.580 0.000 -0.000 -0.000 3/36864 200.0 49.632 58.101 66.341 0.000 -0.000 -0.000 3/36864 210.0 46.383 53.944 61.773 0.000 -0.000 -0.000 3/36864 220.0 43.520 50.308 57.759 0.000 -0.000 -0.000 3/36864 230.0 40.982 47.104 54.209 0.000 -0.000 -0.000 3/36864 240.0 38.717 44.264 51.050 0.000 -0.000 -0.000 3/36864 250.0 36.686 41.731 48.224 0.000 -0.000 -0.000 3/36864 260.0 34.856 39.460 45.684 0.000 -0.000 -0.000 3/36864 270.0 33.201 37.415 43.389 0.000 -0.000 -0.000 3/36864 280.0 31.696 35.565 41.308 0.000 -0.000 -0.000 3/36864 290.0 30.323 33.884 39.413 0.000 -0.000 -0.000 3/36864 300.0 29.066 32.351 37.682 0.000 -0.000 -0.000 3/36864 310.0 27.912 30.948 36.095 0.000 -0.000 -0.000 3/36864 320.0 26.848 29.661 34.635 0.000 -0.000 -0.000 3/36864 330.0 25.864 28.475 33.288 0.000 -0.000 -0.000 3/36864 340.0 24.953 27.379 32.043 0.000 -0.000 -0.000 3/36864 350.0 24.106 26.365 30.888 0.000 -0.000 -0.000 3/36864 360.0 23.317 25.423 29.814 0.000 -0.000 -0.000 3/36864 370.0 22.581 24.546 28.813 0.000 -0.000 -0.000 3/36864 380.0 21.892 23.728 27.879 0.000 -0.000 -0.000 3/36864 390.0 21.245 22.964 27.004 0.000 -0.000 -0.000 3/36864 400.0 20.638 22.248 26.183 0.000 -0.000 -0.000 3/36864 410.0 20.066 21.575 25.413 0.000 -0.000 -0.000 3/36864 420.0 19.526 20.943 24.687 0.000 -0.000 -0.000 3/36864 430.0 19.017 20.348 24.003 0.000 -0.000 -0.000 3/36864 440.0 18.534 19.786 23.357 0.000 -0.000 -0.000 3/36864 450.0 18.077 19.255 22.745 0.000 -0.000 -0.000 3/36864 460.0 17.644 18.752 22.166 0.000 -0.000 -0.000 3/36864 470.0 17.231 18.276 21.617 0.000 -0.000 -0.000 3/36864 480.0 16.839 17.823 21.095 0.000 -0.000 -0.000 3/36864 490.0 16.465 17.394 20.599 0.000 -0.000 -0.000 3/36864 500.0 16.109 16.985 20.126 0.000 -0.000 -0.000 3/36864 510.0 15.768 16.595 19.675 0.000 -0.000 -0.000 3/36864 520.0 15.442 16.223 19.245 0.000 -0.000 -0.000 3/36864 530.0 15.130 15.869 18.834 0.000 -0.000 -0.000 3/36864 540.0 14.831 15.529 18.441 0.000 -0.000 -0.000 3/36864 550.0 14.545 15.205 18.064 0.000 -0.000 -0.000 3/36864 560.0 14.270 14.894 17.703 0.000 -0.000 -0.000 3/36864 570.0 14.006 14.596 17.357 0.000 -0.000 -0.000 3/36864 580.0 13.751 14.310 17.025 0.000 -0.000 -0.000 3/36864 590.0 13.507 14.035 16.705 0.000 -0.000 -0.000 3/36864 600.0 13.271 13.771 16.398 0.000 -0.000 -0.000 3/36864 610.0 13.044 13.518 16.102 0.000 -0.000 -0.000 3/36864 620.0 12.825 13.273 15.818 0.000 -0.000 -0.000 3/36864 630.0 12.614 13.038 15.543 0.000 -0.000 -0.000 3/36864 640.0 12.409 12.811 15.278 0.000 -0.000 -0.000 3/36864 650.0 12.212 12.592 15.023 0.000 -0.000 -0.000 3/36864 660.0 12.021 12.381 14.776 0.000 -0.000 -0.000 3/36864 670.0 11.836 12.176 14.537 0.000 -0.000 -0.000 3/36864 680.0 11.657 11.979 14.307 0.000 -0.000 -0.000 3/36864 690.0 11.484 11.788 14.083 0.000 -0.000 -0.000 3/36864 700.0 11.316 11.604 13.867 0.000 -0.000 -0.000 3/36864 710.0 11.153 11.425 13.658 0.000 -0.000 -0.000 3/36864 720.0 10.995 11.252 13.455 0.000 -0.000 -0.000 3/36864 730.0 10.841 11.084 13.258 0.000 -0.000 -0.000 3/36864 740.0 10.692 10.921 13.068 0.000 -0.000 -0.000 3/36864 750.0 10.548 10.763 12.882 0.000 -0.000 -0.000 3/36864 760.0 10.407 10.610 12.702 0.000 -0.000 -0.000 3/36864 770.0 10.270 10.461 12.528 0.000 -0.000 -0.000 3/36864 780.0 10.137 10.316 12.358 0.000 -0.000 -0.000 3/36864 790.0 10.007 10.176 12.193 0.000 -0.000 -0.000 3/36864 800.0 9.881 10.039 12.032 0.000 -0.000 -0.000 3/36864 810.0 9.758 9.906 11.876 0.000 -0.000 -0.000 3/36864 820.0 9.638 9.777 11.723 0.000 -0.000 -0.000 3/36864 830.0 9.521 9.651 11.575 0.000 -0.000 -0.000 3/36864 840.0 9.407 9.528 11.431 0.000 -0.000 -0.000 3/36864 850.0 9.296 9.409 11.290 0.000 -0.000 -0.000 3/36864 860.0 9.187 9.292 11.153 0.000 -0.000 -0.000 3/36864 870.0 9.082 9.179 11.019 0.000 -0.000 -0.000 3/36864 880.0 8.978 9.068 10.888 0.000 -0.000 -0.000 3/36864 890.0 8.877 8.960 10.761 0.000 -0.000 -0.000 3/36864 900.0 8.779 8.855 10.637 0.000 -0.000 -0.000 3/36864 910.0 8.682 8.752 10.515 0.000 -0.000 -0.000 3/36864 920.0 8.588 8.651 10.396 0.000 -0.000 -0.000 3/36864 930.0 8.496 8.553 10.280 0.000 -0.000 -0.000 3/36864 940.0 8.406 8.457 10.167 0.000 -0.000 -0.000 3/36864 950.0 8.317 8.364 10.056 0.000 -0.000 -0.000 3/36864 960.0 8.231 8.272 9.948 0.000 -0.000 -0.000 3/36864 970.0 8.147 8.183 9.842 0.000 -0.000 -0.000 3/36864 980.0 8.064 8.095 9.739 0.000 -0.000 -0.000 3/36864 990.0 7.983 8.009 9.637 0.000 -0.000 -0.000 3/36864 1000.0 7.904 7.925 9.538 0.000 -0.000 -0.000 3/36864 Thermal conductivity related properties were written into "kappa-m2448.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:37:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|