----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 23:50:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.149340480052063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339658480000000 0.000000000000000 c -0.987485673800768 0.000000000000000 11.818699379865153 Atomic positions (fractional): *1 Cs 0.64993812585179 0.67144137410258 0.07132891764212 132.905 *2 Cs 0.04862440332132 0.37082090318078 0.15723228245320 132.905 *3 Cs 0.62546538865612 0.18227839638342 0.19242083427058 132.905 4 Cs 0.37453461134388 0.68227839638343 0.30757916572942 132.905 5 Cs 0.95137559667868 0.87082090318078 0.34276771754680 132.905 6 Cs 0.35006187414821 0.17144137410258 0.42867108235788 132.905 7 Cs 0.64993812585179 0.82855862589742 0.57132891764212 132.905 8 Cs 0.04862440332132 0.12917909681921 0.65723228245320 132.905 9 Cs 0.62546538865612 0.31772160361657 0.69242083427058 132.905 10 Cs 0.37453461134388 0.81772160361657 0.80757916572942 132.905 11 Cs 0.95137559667868 0.62917909681922 0.84276771754680 132.905 12 Cs 0.35006187414821 0.32855862589742 0.92867108235788 132.905 *13 Tl 0.16176789426148 0.90901351881389 0.07031714729915 204.383 14 Tl 0.83823210573853 0.40901351881389 0.42968285270085 204.383 15 Tl 0.16176789426148 0.59098648118611 0.57031714729915 204.383 16 Tl 0.83823210573853 0.09098648118611 0.92968285270085 204.383 *17 O 0.25353966572236 0.64322879753458 0.04058162404551 15.999 *18 O 0.89428788663236 0.95692482775695 0.09774334850833 15.999 *19 O 0.29426873504645 0.05791124702575 0.20223192060182 15.999 20 O 0.70573126495355 0.55791124702575 0.29776807939818 15.999 21 O 0.10571211336764 0.45692482775695 0.40225665149167 15.999 22 O 0.74646033427764 0.14322879753458 0.45941837595449 15.999 23 O 0.25353966572236 0.85677120246542 0.54058162404551 15.999 24 O 0.89428788663236 0.54307517224305 0.59774334850833 15.999 25 O 0.29426873504645 0.44208875297425 0.70223192060182 15.999 26 O 0.70573126495355 0.94208875297425 0.79776807939818 15.999 27 O 0.10571211336764 0.04307517224305 0.90225665149167 15.999 28 O 0.74646033427764 0.35677120246542 0.95941837595449 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.149340480052063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339658480000000 0.000000000000000 c -0.987485673800768 0.000000000000000 11.818699379865153 Atomic positions (fractional): *1 Cs 0.64993812585179 0.67144137410258 0.07132891764212 132.905 > 1 *2 Cs 0.04862440332132 0.37082090318078 0.15723228245320 132.905 > 2 *3 Cs 0.62546538865612 0.18227839638342 0.19242083427058 132.905 > 3 4 Cs 0.37453461134388 0.68227839638343 0.30757916572942 132.905 > 4 5 Cs 0.95137559667868 0.87082090318078 0.34276771754680 132.905 > 5 6 Cs 0.35006187414821 0.17144137410258 0.42867108235788 132.905 > 6 7 Cs 0.64993812585179 0.82855862589742 0.57132891764212 132.905 > 7 8 Cs 0.04862440332132 0.12917909681921 0.65723228245320 132.905 > 8 9 Cs 0.62546538865612 0.31772160361657 0.69242083427058 132.905 > 9 10 Cs 0.37453461134388 0.81772160361657 0.80757916572942 132.905 > 10 11 Cs 0.95137559667868 0.62917909681922 0.84276771754680 132.905 > 11 12 Cs 0.35006187414821 0.32855862589742 0.92867108235788 132.905 > 12 *13 Tl 0.16176789426148 0.90901351881389 0.07031714729915 204.383 > 13 14 Tl 0.83823210573853 0.40901351881389 0.42968285270085 204.383 > 14 15 Tl 0.16176789426148 0.59098648118611 0.57031714729915 204.383 > 15 16 Tl 0.83823210573853 0.09098648118611 0.92968285270085 204.383 > 16 *17 O 0.25353966572236 0.64322879753458 0.04058162404551 15.999 > 17 *18 O 0.89428788663236 0.95692482775695 0.09774334850833 15.999 > 18 *19 O 0.29426873504645 0.05791124702575 0.20223192060182 15.999 > 19 20 O 0.70573126495355 0.55791124702575 0.29776807939818 15.999 > 20 21 O 0.10571211336764 0.45692482775695 0.40225665149167 15.999 > 21 22 O 0.74646033427764 0.14322879753458 0.45941837595449 15.999 > 22 23 O 0.25353966572236 0.85677120246542 0.54058162404551 15.999 > 23 24 O 0.89428788663236 0.54307517224305 0.59774334850833 15.999 > 24 25 O 0.29426873504645 0.44208875297425 0.70223192060182 15.999 > 25 26 O 0.70573126495355 0.94208875297425 0.79776807939818 15.999 > 26 27 O 0.10571211336764 0.04307517224305 0.90225665149167 15.999 > 27 28 O 0.74646033427764 0.35677120246542 0.95941837595449 15.999 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.298680960104125 0.000000000000000 0.000000000000000 b 0.000000000000000 14.679316960000000 0.000000000000000 c -0.987485673800768 0.000000000000000 11.818699379865153 Atomic positions (fractional): *1 Cs 0.32496906292589 0.33572068705129 0.07132891764212 132.905 > 1 2 Cs 0.82496906292589 0.33572068705129 0.07132891764212 132.905 > 1 3 Cs 0.32496906292589 0.83572068705129 0.07132891764212 132.905 > 1 4 Cs 0.82496906292589 0.83572068705129 0.07132891764212 132.905 > 1 *5 Cs 0.02431220166066 0.18541045159039 0.15723228245320 132.905 > 2 6 Cs 0.52431220166066 0.18541045159039 0.15723228245320 132.905 > 2 7 Cs 0.02431220166066 0.68541045159039 0.15723228245320 132.905 > 2 8 Cs 0.52431220166066 0.68541045159039 0.15723228245320 132.905 > 2 *9 Cs 0.31273269432806 0.09113919819171 0.19242083427058 132.905 > 3 10 Cs 0.81273269432806 0.09113919819171 0.19242083427058 132.905 > 3 11 Cs 0.31273269432806 0.59113919819171 0.19242083427058 132.905 > 3 12 Cs 0.81273269432806 0.59113919819171 0.19242083427058 132.905 > 3 13 Cs 0.18726730567194 0.34113919819171 0.30757916572942 132.905 > 4 14 Cs 0.68726730567194 0.34113919819171 0.30757916572942 132.905 > 4 15 Cs 0.18726730567194 0.84113919819171 0.30757916572942 132.905 > 4 16 Cs 0.68726730567194 0.84113919819171 0.30757916572942 132.905 > 4 17 Cs 0.47568779833934 0.43541045159039 0.34276771754680 132.905 > 5 18 Cs 0.97568779833934 0.43541045159039 0.34276771754680 132.905 > 5 19 Cs 0.47568779833934 0.93541045159039 0.34276771754680 132.905 > 5 20 Cs 0.97568779833934 0.93541045159039 0.34276771754680 132.905 > 5 21 Cs 0.17503093707411 0.08572068705129 0.42867108235788 132.905 > 6 22 Cs 0.67503093707411 0.08572068705129 0.42867108235788 132.905 > 6 23 Cs 0.17503093707411 0.58572068705129 0.42867108235788 132.905 > 6 24 Cs 0.67503093707411 0.58572068705129 0.42867108235788 132.905 > 6 25 Cs 0.32496906292589 0.41427931294871 0.57132891764212 132.905 > 7 26 Cs 0.82496906292589 0.41427931294871 0.57132891764212 132.905 > 7 27 Cs 0.32496906292589 0.91427931294871 0.57132891764212 132.905 > 7 28 Cs 0.82496906292589 0.91427931294871 0.57132891764212 132.905 > 7 29 Cs 0.02431220166066 0.06458954840961 0.65723228245320 132.905 > 8 30 Cs 0.52431220166066 0.06458954840961 0.65723228245320 132.905 > 8 31 Cs 0.02431220166066 0.56458954840961 0.65723228245320 132.905 > 8 32 Cs 0.52431220166066 0.56458954840961 0.65723228245320 132.905 > 8 33 Cs 0.31273269432806 0.15886080180829 0.69242083427058 132.905 > 9 34 Cs 0.81273269432806 0.15886080180829 0.69242083427058 132.905 > 9 35 Cs 0.31273269432806 0.65886080180829 0.69242083427058 132.905 > 9 36 Cs 0.81273269432806 0.65886080180829 0.69242083427058 132.905 > 9 37 Cs 0.18726730567194 0.40886080180829 0.80757916572942 132.905 > 10 38 Cs 0.68726730567194 0.40886080180829 0.80757916572942 132.905 > 10 39 Cs 0.18726730567194 0.90886080180829 0.80757916572942 132.905 > 10 40 Cs 0.68726730567194 0.90886080180829 0.80757916572942 132.905 > 10 41 Cs 0.47568779833934 0.31458954840961 0.84276771754680 132.905 > 11 42 Cs 0.97568779833934 0.31458954840961 0.84276771754680 132.905 > 11 43 Cs 0.47568779833934 0.81458954840961 0.84276771754680 132.905 > 11 44 Cs 0.97568779833934 0.81458954840961 0.84276771754680 132.905 > 11 45 Cs 0.17503093707411 0.16427931294871 0.92867108235788 132.905 > 12 46 Cs 0.67503093707411 0.16427931294871 0.92867108235788 132.905 > 12 47 Cs 0.17503093707411 0.66427931294871 0.92867108235788 132.905 > 12 48 Cs 0.67503093707411 0.66427931294871 0.92867108235788 132.905 > 12 *49 Tl 0.08088394713074 0.45450675940694 0.07031714729915 204.383 > 13 50 Tl 0.58088394713074 0.45450675940694 0.07031714729915 204.383 > 13 51 Tl 0.08088394713074 0.95450675940694 0.07031714729915 204.383 > 13 52 Tl 0.58088394713074 0.95450675940694 0.07031714729915 204.383 > 13 53 Tl 0.41911605286926 0.20450675940694 0.42968285270085 204.383 > 14 54 Tl 0.91911605286926 0.20450675940694 0.42968285270085 204.383 > 14 55 Tl 0.41911605286926 0.70450675940694 0.42968285270085 204.383 > 14 56 Tl 0.91911605286926 0.70450675940694 0.42968285270085 204.383 > 14 57 Tl 0.08088394713074 0.29549324059306 0.57031714729915 204.383 > 15 58 Tl 0.58088394713074 0.29549324059306 0.57031714729915 204.383 > 15 59 Tl 0.08088394713074 0.79549324059306 0.57031714729915 204.383 > 15 60 Tl 0.58088394713074 0.79549324059306 0.57031714729915 204.383 > 15 61 Tl 0.41911605286926 0.04549324059306 0.92968285270085 204.383 > 16 62 Tl 0.91911605286926 0.04549324059306 0.92968285270085 204.383 > 16 63 Tl 0.41911605286926 0.54549324059306 0.92968285270085 204.383 > 16 64 Tl 0.91911605286926 0.54549324059306 0.92968285270085 204.383 > 16 *65 O 0.12676983286118 0.32161439876729 0.04058162404551 15.999 > 17 66 O 0.62676983286118 0.32161439876729 0.04058162404551 15.999 > 17 67 O 0.12676983286118 0.82161439876729 0.04058162404551 15.999 > 17 68 O 0.62676983286118 0.82161439876729 0.04058162404551 15.999 > 17 *69 O 0.44714394331618 0.47846241387848 0.09774334850833 15.999 > 18 70 O 0.94714394331618 0.47846241387848 0.09774334850833 15.999 > 18 71 O 0.44714394331618 0.97846241387848 0.09774334850833 15.999 > 18 72 O 0.94714394331618 0.97846241387848 0.09774334850833 15.999 > 18 *73 O 0.14713436752323 0.02895562351287 0.20223192060182 15.999 > 19 74 O 0.64713436752323 0.02895562351287 0.20223192060182 15.999 > 19 75 O 0.14713436752323 0.52895562351287 0.20223192060182 15.999 > 19 76 O 0.64713436752323 0.52895562351287 0.20223192060182 15.999 > 19 77 O 0.35286563247677 0.27895562351287 0.29776807939818 15.999 > 20 78 O 0.85286563247677 0.27895562351287 0.29776807939818 15.999 > 20 79 O 0.35286563247677 0.77895562351287 0.29776807939818 15.999 > 20 80 O 0.85286563247677 0.77895562351287 0.29776807939818 15.999 > 20 81 O 0.05285605668382 0.22846241387848 0.40225665149167 15.999 > 21 82 O 0.55285605668382 0.22846241387848 0.40225665149167 15.999 > 21 83 O 0.05285605668382 0.72846241387848 0.40225665149167 15.999 > 21 84 O 0.55285605668382 0.72846241387848 0.40225665149167 15.999 > 21 85 O 0.37323016713882 0.07161439876729 0.45941837595449 15.999 > 22 86 O 0.87323016713882 0.07161439876729 0.45941837595449 15.999 > 22 87 O 0.37323016713882 0.57161439876729 0.45941837595449 15.999 > 22 88 O 0.87323016713882 0.57161439876729 0.45941837595449 15.999 > 22 89 O 0.12676983286118 0.42838560123271 0.54058162404551 15.999 > 23 90 O 0.62676983286118 0.42838560123271 0.54058162404551 15.999 > 23 91 O 0.12676983286118 0.92838560123271 0.54058162404551 15.999 > 23 92 O 0.62676983286118 0.92838560123271 0.54058162404551 15.999 > 23 93 O 0.44714394331618 0.27153758612152 0.59774334850833 15.999 > 24 94 O 0.94714394331618 0.27153758612152 0.59774334850833 15.999 > 24 95 O 0.44714394331618 0.77153758612152 0.59774334850833 15.999 > 24 96 O 0.94714394331618 0.77153758612152 0.59774334850833 15.999 > 24 97 O 0.14713436752323 0.22104437648713 0.70223192060182 15.999 > 25 98 O 0.64713436752323 0.22104437648713 0.70223192060182 15.999 > 25 99 O 0.14713436752323 0.72104437648713 0.70223192060182 15.999 > 25 100 O 0.64713436752323 0.72104437648713 0.70223192060182 15.999 > 25 101 O 0.35286563247677 0.47104437648713 0.79776807939818 15.999 > 26 102 O 0.85286563247677 0.47104437648713 0.79776807939818 15.999 > 26 103 O 0.35286563247677 0.97104437648713 0.79776807939818 15.999 > 26 104 O 0.85286563247677 0.97104437648713 0.79776807939818 15.999 > 26 105 O 0.05285605668382 0.02153758612152 0.90225665149167 15.999 > 27 106 O 0.55285605668382 0.02153758612152 0.90225665149167 15.999 > 27 107 O 0.05285605668382 0.52153758612152 0.90225665149167 15.999 > 27 108 O 0.55285605668382 0.52153758612152 0.90225665149167 15.999 > 27 109 O 0.37323016713882 0.17838560123271 0.95941837595449 15.999 > 28 110 O 0.87323016713882 0.17838560123271 0.95941837595449 15.999 > 28 111 O 0.37323016713882 0.67838560123271 0.95941837595449 15.999 > 28 112 O 0.87323016713882 0.67838560123271 0.95941837595449 15.999 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8726698 0.0000000 0.1737567 0.0000000 3.9679937 0.0000000 0.1737783 0.0000000 3.9730955 -------------------------- Born effective charges -------------------------- 1 Cs 1.3439283 0.0973068 0.0460266 0.0276361 1.4028429 0.0126030 -0.0445188 -0.0192201 1.3855978 2 Cs 1.0418503 -0.0072011 0.0083190 0.0854606 1.4195030 0.0004251 -0.0025891 0.0982068 1.3896953 3 Cs 1.5578827 0.1284415 -0.1355138 0.1478203 1.1810344 0.1113871 -0.0109755 0.1602847 1.3057168 4 Cs 1.5578827 -0.1284415 -0.1355138 -0.1478203 1.1810344 -0.1113871 -0.0109755 -0.1602847 1.3057168 5 Cs 1.0418503 0.0072011 0.0083190 -0.0854606 1.4195030 -0.0004251 -0.0025891 -0.0982068 1.3896953 6 Cs 1.3439283 -0.0973068 0.0460266 -0.0276361 1.4028429 -0.0126030 -0.0445188 0.0192201 1.3855978 7 Cs 1.3439283 -0.0973068 0.0460266 -0.0276361 1.4028429 -0.0126030 -0.0445188 0.0192201 1.3855978 8 Cs 1.0418503 0.0072011 0.0083190 -0.0854606 1.4195030 -0.0004251 -0.0025891 -0.0982068 1.3896953 9 Cs 1.5578827 -0.1284415 -0.1355138 -0.1478203 1.1810344 -0.1113871 -0.0109755 -0.1602847 1.3057168 10 Cs 1.5578827 0.1284415 -0.1355138 0.1478203 1.1810344 0.1113871 -0.0109755 0.1602847 1.3057168 11 Cs 1.0418503 -0.0072011 0.0083190 0.0854606 1.4195030 0.0004251 -0.0025891 0.0982068 1.3896953 12 Cs 1.3439283 0.0973068 0.0460266 0.0276361 1.4028429 0.0126030 -0.0445188 -0.0192201 1.3855978 13 Tl 2.3658458 -0.4939274 0.6790088 -0.4869715 2.6572963 0.1205488 0.6905208 0.2475160 2.4413737 14 Tl 2.3658458 0.4939274 0.6790088 0.4869715 2.6572963 -0.1205488 0.6905208 -0.2475160 2.4413737 15 Tl 2.3658458 0.4939274 0.6790088 0.4869715 2.6572963 -0.1205488 0.6905208 -0.2475160 2.4413737 16 Tl 2.3658458 -0.4939274 0.6790088 -0.4869715 2.6572963 0.1205488 0.6905208 0.2475160 2.4413737 17 O -1.8635702 0.3931972 0.0316467 0.4042482 -2.6861251 -0.1602643 -0.0536286 -0.1468624 -1.8994392 18 O -2.3274860 0.1604699 -0.0371741 0.0069635 -1.8566156 0.3590462 -0.0306585 0.2624984 -2.2296627 19 O -2.1184509 -0.2360439 -0.5923132 -0.1907049 -2.1179358 -0.2383210 -0.5481502 -0.3318111 -2.3932817 20 O -2.1184509 0.2360439 -0.5923132 0.1907049 -2.1179358 0.2383210 -0.5481502 0.3318111 -2.3932817 21 O -2.3274860 -0.1604699 -0.0371741 -0.0069635 -1.8566156 -0.3590462 -0.0306585 -0.2624984 -2.2296627 22 O -1.8635702 -0.3931972 0.0316467 -0.4042482 -2.6861251 0.1602643 -0.0536286 0.1468624 -1.8994392 23 O -1.8635702 -0.3931972 0.0316467 -0.4042482 -2.6861251 0.1602643 -0.0536286 0.1468624 -1.8994392 24 O -2.3274860 -0.1604699 -0.0371741 -0.0069635 -1.8566156 -0.3590462 -0.0306585 -0.2624984 -2.2296627 25 O -2.1184509 0.2360439 -0.5923132 0.1907049 -2.1179358 0.2383210 -0.5481502 0.3318111 -2.3932817 26 O -2.1184509 -0.2360439 -0.5923132 -0.1907049 -2.1179358 -0.2383210 -0.5481502 -0.3318111 -2.3932817 27 O -2.3274860 0.1604699 -0.0371741 0.0069635 -1.8566156 0.3590462 -0.0306585 0.2624984 -2.2296627 28 O -1.8635702 0.3931972 0.0316467 0.4042482 -2.6861251 -0.1602643 -0.0536286 -0.1468624 -1.8994392 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 1.012 Solver_block: 200 / 880 - Time: 0.951 Solver_block: 300 / 880 - Time: 0.953 Solver_block: 400 / 880 - Time: 0.962 Solver_block: 500 / 880 - Time: 0.942 Solver_block: 600 / 880 - Time: 0.956 Solver_block: 700 / 880 - Time: 0.930 Solver_block: 800 / 880 - Time: 0.938 Solver_block: 880 / 880 - Time: 0.793 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 8.613 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 23:51:35]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:51:35]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.149340480052063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339658480000000 0.000000000000000 c -0.987485673800768 0.000000000000000 11.818699379865153 Atomic positions (fractional): 1 Cs 0.64993812585179 0.67144137410258 0.07132891764212 132.905 2 Cs 0.04862440332132 0.37082090318078 0.15723228245320 132.905 3 Cs 0.62546538865612 0.18227839638342 0.19242083427058 132.905 4 Cs 0.37453461134388 0.68227839638343 0.30757916572942 132.905 5 Cs 0.95137559667868 0.87082090318078 0.34276771754680 132.905 6 Cs 0.35006187414821 0.17144137410258 0.42867108235788 132.905 7 Cs 0.64993812585179 0.82855862589742 0.57132891764212 132.905 8 Cs 0.04862440332132 0.12917909681921 0.65723228245320 132.905 9 Cs 0.62546538865612 0.31772160361657 0.69242083427058 132.905 10 Cs 0.37453461134388 0.81772160361657 0.80757916572942 132.905 11 Cs 0.95137559667868 0.62917909681922 0.84276771754680 132.905 12 Cs 0.35006187414821 0.32855862589742 0.92867108235788 132.905 13 Tl 0.16176789426148 0.90901351881389 0.07031714729915 204.383 14 Tl 0.83823210573853 0.40901351881389 0.42968285270085 204.383 15 Tl 0.16176789426148 0.59098648118611 0.57031714729915 204.383 16 Tl 0.83823210573853 0.09098648118611 0.92968285270085 204.383 17 O 0.25353966572236 0.64322879753458 0.04058162404551 15.999 18 O 0.89428788663236 0.95692482775695 0.09774334850833 15.999 19 O 0.29426873504645 0.05791124702575 0.20223192060182 15.999 20 O 0.70573126495355 0.55791124702575 0.29776807939818 15.999 21 O 0.10571211336764 0.45692482775695 0.40225665149167 15.999 22 O 0.74646033427764 0.14322879753458 0.45941837595449 15.999 23 O 0.25353966572236 0.85677120246542 0.54058162404551 15.999 24 O 0.89428788663236 0.54307517224305 0.59774334850833 15.999 25 O 0.29426873504645 0.44208875297425 0.70223192060182 15.999 26 O 0.70573126495355 0.94208875297425 0.79776807939818 15.999 27 O 0.10571211336764 0.04307517224305 0.90225665149167 15.999 28 O 0.74646033427764 0.35677120246542 0.95941837595449 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.298680960104125 0.000000000000000 0.000000000000000 b 0.000000000000000 14.679316960000000 0.000000000000000 c -0.987485673800768 0.000000000000000 11.818699379865153 Atomic positions (fractional): 1 Cs 0.32496906292589 0.33572068705129 0.07132891764212 132.905 > 1 2 Cs 0.82496906292589 0.33572068705129 0.07132891764212 132.905 > 1 3 Cs 0.32496906292589 0.83572068705129 0.07132891764212 132.905 > 1 4 Cs 0.82496906292589 0.83572068705129 0.07132891764212 132.905 > 1 5 Cs 0.02431220166066 0.18541045159039 0.15723228245320 132.905 > 5 6 Cs 0.52431220166066 0.18541045159039 0.15723228245320 132.905 > 5 7 Cs 0.02431220166066 0.68541045159039 0.15723228245320 132.905 > 5 8 Cs 0.52431220166066 0.68541045159039 0.15723228245320 132.905 > 5 9 Cs 0.31273269432806 0.09113919819171 0.19242083427058 132.905 > 9 10 Cs 0.81273269432806 0.09113919819171 0.19242083427058 132.905 > 9 11 Cs 0.31273269432806 0.59113919819171 0.19242083427058 132.905 > 9 12 Cs 0.81273269432806 0.59113919819171 0.19242083427058 132.905 > 9 13 Cs 0.18726730567194 0.34113919819171 0.30757916572942 132.905 > 13 14 Cs 0.68726730567194 0.34113919819171 0.30757916572942 132.905 > 13 15 Cs 0.18726730567194 0.84113919819171 0.30757916572942 132.905 > 13 16 Cs 0.68726730567194 0.84113919819171 0.30757916572942 132.905 > 13 17 Cs 0.47568779833934 0.43541045159039 0.34276771754680 132.905 > 17 18 Cs 0.97568779833934 0.43541045159039 0.34276771754680 132.905 > 17 19 Cs 0.47568779833934 0.93541045159039 0.34276771754680 132.905 > 17 20 Cs 0.97568779833934 0.93541045159039 0.34276771754680 132.905 > 17 21 Cs 0.17503093707411 0.08572068705129 0.42867108235788 132.905 > 21 22 Cs 0.67503093707411 0.08572068705129 0.42867108235788 132.905 > 21 23 Cs 0.17503093707411 0.58572068705129 0.42867108235788 132.905 > 21 24 Cs 0.67503093707411 0.58572068705129 0.42867108235788 132.905 > 21 25 Cs 0.32496906292589 0.41427931294871 0.57132891764212 132.905 > 25 26 Cs 0.82496906292589 0.41427931294871 0.57132891764212 132.905 > 25 27 Cs 0.32496906292589 0.91427931294871 0.57132891764212 132.905 > 25 28 Cs 0.82496906292589 0.91427931294871 0.57132891764212 132.905 > 25 29 Cs 0.02431220166066 0.06458954840961 0.65723228245320 132.905 > 29 30 Cs 0.52431220166066 0.06458954840961 0.65723228245320 132.905 > 29 31 Cs 0.02431220166066 0.56458954840961 0.65723228245320 132.905 > 29 32 Cs 0.52431220166066 0.56458954840961 0.65723228245320 132.905 > 29 33 Cs 0.31273269432806 0.15886080180829 0.69242083427058 132.905 > 33 34 Cs 0.81273269432806 0.15886080180829 0.69242083427058 132.905 > 33 35 Cs 0.31273269432806 0.65886080180829 0.69242083427058 132.905 > 33 36 Cs 0.81273269432806 0.65886080180829 0.69242083427058 132.905 > 33 37 Cs 0.18726730567194 0.40886080180829 0.80757916572942 132.905 > 37 38 Cs 0.68726730567194 0.40886080180829 0.80757916572942 132.905 > 37 39 Cs 0.18726730567194 0.90886080180829 0.80757916572942 132.905 > 37 40 Cs 0.68726730567194 0.90886080180829 0.80757916572942 132.905 > 37 41 Cs 0.47568779833934 0.31458954840961 0.84276771754680 132.905 > 41 42 Cs 0.97568779833934 0.31458954840961 0.84276771754680 132.905 > 41 43 Cs 0.47568779833934 0.81458954840961 0.84276771754680 132.905 > 41 44 Cs 0.97568779833934 0.81458954840961 0.84276771754680 132.905 > 41 45 Cs 0.17503093707411 0.16427931294871 0.92867108235788 132.905 > 45 46 Cs 0.67503093707411 0.16427931294871 0.92867108235788 132.905 > 45 47 Cs 0.17503093707411 0.66427931294871 0.92867108235788 132.905 > 45 48 Cs 0.67503093707411 0.66427931294871 0.92867108235788 132.905 > 45 49 Tl 0.08088394713074 0.45450675940694 0.07031714729915 204.383 > 49 50 Tl 0.58088394713074 0.45450675940694 0.07031714729915 204.383 > 49 51 Tl 0.08088394713074 0.95450675940694 0.07031714729915 204.383 > 49 52 Tl 0.58088394713074 0.95450675940694 0.07031714729915 204.383 > 49 53 Tl 0.41911605286926 0.20450675940694 0.42968285270085 204.383 > 53 54 Tl 0.91911605286926 0.20450675940694 0.42968285270085 204.383 > 53 55 Tl 0.41911605286926 0.70450675940694 0.42968285270085 204.383 > 53 56 Tl 0.91911605286926 0.70450675940694 0.42968285270085 204.383 > 53 57 Tl 0.08088394713074 0.29549324059306 0.57031714729915 204.383 > 57 58 Tl 0.58088394713074 0.29549324059306 0.57031714729915 204.383 > 57 59 Tl 0.08088394713074 0.79549324059306 0.57031714729915 204.383 > 57 60 Tl 0.58088394713074 0.79549324059306 0.57031714729915 204.383 > 57 61 Tl 0.41911605286926 0.04549324059306 0.92968285270085 204.383 > 61 62 Tl 0.91911605286926 0.04549324059306 0.92968285270085 204.383 > 61 63 Tl 0.41911605286926 0.54549324059306 0.92968285270085 204.383 > 61 64 Tl 0.91911605286926 0.54549324059306 0.92968285270085 204.383 > 61 65 O 0.12676983286118 0.32161439876729 0.04058162404551 15.999 > 65 66 O 0.62676983286118 0.32161439876729 0.04058162404551 15.999 > 65 67 O 0.12676983286118 0.82161439876729 0.04058162404551 15.999 > 65 68 O 0.62676983286118 0.82161439876729 0.04058162404551 15.999 > 65 69 O 0.44714394331618 0.47846241387848 0.09774334850833 15.999 > 69 70 O 0.94714394331618 0.47846241387848 0.09774334850833 15.999 > 69 71 O 0.44714394331618 0.97846241387848 0.09774334850833 15.999 > 69 72 O 0.94714394331618 0.97846241387848 0.09774334850833 15.999 > 69 73 O 0.14713436752323 0.02895562351287 0.20223192060182 15.999 > 73 74 O 0.64713436752323 0.02895562351287 0.20223192060182 15.999 > 73 75 O 0.14713436752323 0.52895562351287 0.20223192060182 15.999 > 73 76 O 0.64713436752323 0.52895562351287 0.20223192060182 15.999 > 73 77 O 0.35286563247677 0.27895562351287 0.29776807939818 15.999 > 77 78 O 0.85286563247677 0.27895562351287 0.29776807939818 15.999 > 77 79 O 0.35286563247677 0.77895562351287 0.29776807939818 15.999 > 77 80 O 0.85286563247677 0.77895562351287 0.29776807939818 15.999 > 77 81 O 0.05285605668382 0.22846241387848 0.40225665149167 15.999 > 81 82 O 0.55285605668382 0.22846241387848 0.40225665149167 15.999 > 81 83 O 0.05285605668382 0.72846241387848 0.40225665149167 15.999 > 81 84 O 0.55285605668382 0.72846241387848 0.40225665149167 15.999 > 81 85 O 0.37323016713882 0.07161439876729 0.45941837595449 15.999 > 85 86 O 0.87323016713882 0.07161439876729 0.45941837595449 15.999 > 85 87 O 0.37323016713882 0.57161439876729 0.45941837595449 15.999 > 85 88 O 0.87323016713882 0.57161439876729 0.45941837595449 15.999 > 85 89 O 0.12676983286118 0.42838560123271 0.54058162404551 15.999 > 89 90 O 0.62676983286118 0.42838560123271 0.54058162404551 15.999 > 89 91 O 0.12676983286118 0.92838560123271 0.54058162404551 15.999 > 89 92 O 0.62676983286118 0.92838560123271 0.54058162404551 15.999 > 89 93 O 0.44714394331618 0.27153758612152 0.59774334850833 15.999 > 93 94 O 0.94714394331618 0.27153758612152 0.59774334850833 15.999 > 93 95 O 0.44714394331618 0.77153758612152 0.59774334850833 15.999 > 93 96 O 0.94714394331618 0.77153758612152 0.59774334850833 15.999 > 93 97 O 0.14713436752323 0.22104437648713 0.70223192060182 15.999 > 97 98 O 0.64713436752323 0.22104437648713 0.70223192060182 15.999 > 97 99 O 0.14713436752323 0.72104437648713 0.70223192060182 15.999 > 97 100 O 0.64713436752323 0.72104437648713 0.70223192060182 15.999 > 97 101 O 0.35286563247677 0.47104437648713 0.79776807939818 15.999 > 101 102 O 0.85286563247677 0.47104437648713 0.79776807939818 15.999 > 101 103 O 0.35286563247677 0.97104437648713 0.79776807939818 15.999 > 101 104 O 0.85286563247677 0.97104437648713 0.79776807939818 15.999 > 101 105 O 0.05285605668382 0.02153758612152 0.90225665149167 15.999 > 105 106 O 0.55285605668382 0.02153758612152 0.90225665149167 15.999 > 105 107 O 0.05285605668382 0.52153758612152 0.90225665149167 15.999 > 105 108 O 0.55285605668382 0.52153758612152 0.90225665149167 15.999 > 105 109 O 0.37323016713882 0.17838560123271 0.95941837595449 15.999 > 109 110 O 0.87323016713882 0.17838560123271 0.95941837595449 15.999 > 109 111 O 0.37323016713882 0.67838560123271 0.95941837595449 15.999 > 109 112 O 0.87323016713882 0.67838560123271 0.95941837595449 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8726698 0.0000000 0.1737567 0.0000000 3.9679937 0.0000000 0.1737783 0.0000000 3.9730955 -------------------------- Born effective charges -------------------------- 1 Cs 1.3439283 0.0973068 0.0460266 0.0276361 1.4028429 0.0126030 -0.0445188 -0.0192201 1.3855978 2 Cs 1.0418503 -0.0072011 0.0083190 0.0854606 1.4195030 0.0004251 -0.0025891 0.0982068 1.3896953 3 Cs 1.5578827 0.1284415 -0.1355138 0.1478203 1.1810344 0.1113871 -0.0109755 0.1602847 1.3057168 4 Cs 1.5578827 -0.1284415 -0.1355138 -0.1478203 1.1810344 -0.1113871 -0.0109755 -0.1602847 1.3057168 5 Cs 1.0418503 0.0072011 0.0083190 -0.0854606 1.4195030 -0.0004251 -0.0025891 -0.0982068 1.3896953 6 Cs 1.3439283 -0.0973068 0.0460266 -0.0276361 1.4028429 -0.0126030 -0.0445188 0.0192201 1.3855978 7 Cs 1.3439283 -0.0973068 0.0460266 -0.0276361 1.4028429 -0.0126030 -0.0445188 0.0192201 1.3855978 8 Cs 1.0418503 0.0072011 0.0083190 -0.0854606 1.4195030 -0.0004251 -0.0025891 -0.0982068 1.3896953 9 Cs 1.5578827 -0.1284415 -0.1355138 -0.1478203 1.1810344 -0.1113871 -0.0109755 -0.1602847 1.3057168 10 Cs 1.5578827 0.1284415 -0.1355138 0.1478203 1.1810344 0.1113871 -0.0109755 0.1602847 1.3057168 11 Cs 1.0418503 -0.0072011 0.0083190 0.0854606 1.4195030 0.0004251 -0.0025891 0.0982068 1.3896953 12 Cs 1.3439283 0.0973068 0.0460266 0.0276361 1.4028429 0.0126030 -0.0445188 -0.0192201 1.3855978 13 Tl 2.3658458 -0.4939274 0.6790088 -0.4869715 2.6572963 0.1205488 0.6905208 0.2475160 2.4413737 14 Tl 2.3658458 0.4939274 0.6790088 0.4869715 2.6572963 -0.1205488 0.6905208 -0.2475160 2.4413737 15 Tl 2.3658458 0.4939274 0.6790088 0.4869715 2.6572963 -0.1205488 0.6905208 -0.2475160 2.4413737 16 Tl 2.3658458 -0.4939274 0.6790088 -0.4869715 2.6572963 0.1205488 0.6905208 0.2475160 2.4413737 17 O -1.8635702 0.3931972 0.0316467 0.4042482 -2.6861251 -0.1602643 -0.0536286 -0.1468624 -1.8994392 18 O -2.3274860 0.1604699 -0.0371741 0.0069635 -1.8566156 0.3590462 -0.0306585 0.2624984 -2.2296627 19 O -2.1184509 -0.2360439 -0.5923132 -0.1907049 -2.1179358 -0.2383210 -0.5481502 -0.3318111 -2.3932817 20 O -2.1184509 0.2360439 -0.5923132 0.1907049 -2.1179358 0.2383210 -0.5481502 0.3318111 -2.3932817 21 O -2.3274860 -0.1604699 -0.0371741 -0.0069635 -1.8566156 -0.3590462 -0.0306585 -0.2624984 -2.2296627 22 O -1.8635702 -0.3931972 0.0316467 -0.4042482 -2.6861251 0.1602643 -0.0536286 0.1468624 -1.8994392 23 O -1.8635702 -0.3931972 0.0316467 -0.4042482 -2.6861251 0.1602643 -0.0536286 0.1468624 -1.8994392 24 O -2.3274860 -0.1604699 -0.0371741 -0.0069635 -1.8566156 -0.3590462 -0.0306585 -0.2624984 -2.2296627 25 O -2.1184509 0.2360439 -0.5923132 0.1907049 -2.1179358 0.2383210 -0.5481502 0.3318111 -2.3932817 26 O -2.1184509 -0.2360439 -0.5923132 -0.1907049 -2.1179358 -0.2383210 -0.5481502 -0.3318111 -2.3932817 27 O -2.3274860 0.1604699 -0.0371741 0.0069635 -1.8566156 0.3590462 -0.0306585 0.2624984 -2.2296627 28 O -1.8635702 0.3931972 0.0316467 0.4042482 -2.6861251 -0.1602643 -0.0536286 -0.1468624 -1.8994392 ---------------------------------------------------------------------------- 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] [-0.0008 0.0000 0.0100] [ 0.0008 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] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0008 0.0000 0.0100] [ 0.0008 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zy) -0.00000000 (zy) 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 23:52:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 23:52:08]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.149340480052063 0.000000000000000 0.000000000000000 b 0.000000000000000 7.339658480000000 0.000000000000000 c -0.987485673800768 0.000000000000000 11.818699379865153 Atomic positions (fractional): 1 Cs 0.64993812585179 0.67144137410258 0.07132891764212 132.905 2 Cs 0.04862440332132 0.37082090318078 0.15723228245320 132.905 3 Cs 0.62546538865612 0.18227839638342 0.19242083427058 132.905 4 Cs 0.37453461134388 0.68227839638343 0.30757916572942 132.905 5 Cs 0.95137559667868 0.87082090318078 0.34276771754680 132.905 6 Cs 0.35006187414821 0.17144137410258 0.42867108235788 132.905 7 Cs 0.64993812585179 0.82855862589742 0.57132891764212 132.905 8 Cs 0.04862440332132 0.12917909681921 0.65723228245320 132.905 9 Cs 0.62546538865612 0.31772160361657 0.69242083427058 132.905 10 Cs 0.37453461134388 0.81772160361657 0.80757916572942 132.905 11 Cs 0.95137559667868 0.62917909681922 0.84276771754680 132.905 12 Cs 0.35006187414821 0.32855862589742 0.92867108235788 132.905 13 Tl 0.16176789426148 0.90901351881389 0.07031714729915 204.383 14 Tl 0.83823210573853 0.40901351881389 0.42968285270085 204.383 15 Tl 0.16176789426148 0.59098648118611 0.57031714729915 204.383 16 Tl 0.83823210573853 0.09098648118611 0.92968285270085 204.383 17 O 0.25353966572236 0.64322879753458 0.04058162404551 15.999 18 O 0.89428788663236 0.95692482775695 0.09774334850833 15.999 19 O 0.29426873504645 0.05791124702575 0.20223192060182 15.999 20 O 0.70573126495355 0.55791124702575 0.29776807939818 15.999 21 O 0.10571211336764 0.45692482775695 0.40225665149167 15.999 22 O 0.74646033427764 0.14322879753458 0.45941837595449 15.999 23 O 0.25353966572236 0.85677120246542 0.54058162404551 15.999 24 O 0.89428788663236 0.54307517224305 0.59774334850833 15.999 25 O 0.29426873504645 0.44208875297425 0.70223192060182 15.999 26 O 0.70573126495355 0.94208875297425 0.79776807939818 15.999 27 O 0.10571211336764 0.04307517224305 0.90225665149167 15.999 28 O 0.74646033427764 0.35677120246542 0.95941837595449 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.298680960104125 0.000000000000000 0.000000000000000 b 0.000000000000000 14.679316960000000 0.000000000000000 c -0.987485673800768 0.000000000000000 11.818699379865153 Atomic positions (fractional): 1 Cs 0.32496906292589 0.33572068705129 0.07132891764212 132.905 > 1 2 Cs 0.82496906292589 0.33572068705129 0.07132891764212 132.905 > 1 3 Cs 0.32496906292589 0.83572068705129 0.07132891764212 132.905 > 1 4 Cs 0.82496906292589 0.83572068705129 0.07132891764212 132.905 > 1 5 Cs 0.02431220166066 0.18541045159039 0.15723228245320 132.905 > 5 6 Cs 0.52431220166066 0.18541045159039 0.15723228245320 132.905 > 5 7 Cs 0.02431220166066 0.68541045159039 0.15723228245320 132.905 > 5 8 Cs 0.52431220166066 0.68541045159039 0.15723228245320 132.905 > 5 9 Cs 0.31273269432806 0.09113919819171 0.19242083427058 132.905 > 9 10 Cs 0.81273269432806 0.09113919819171 0.19242083427058 132.905 > 9 11 Cs 0.31273269432806 0.59113919819171 0.19242083427058 132.905 > 9 12 Cs 0.81273269432806 0.59113919819171 0.19242083427058 132.905 > 9 13 Cs 0.18726730567194 0.34113919819171 0.30757916572942 132.905 > 13 14 Cs 0.68726730567194 0.34113919819171 0.30757916572942 132.905 > 13 15 Cs 0.18726730567194 0.84113919819171 0.30757916572942 132.905 > 13 16 Cs 0.68726730567194 0.84113919819171 0.30757916572942 132.905 > 13 17 Cs 0.47568779833934 0.43541045159039 0.34276771754680 132.905 > 17 18 Cs 0.97568779833934 0.43541045159039 0.34276771754680 132.905 > 17 19 Cs 0.47568779833934 0.93541045159039 0.34276771754680 132.905 > 17 20 Cs 0.97568779833934 0.93541045159039 0.34276771754680 132.905 > 17 21 Cs 0.17503093707411 0.08572068705129 0.42867108235788 132.905 > 21 22 Cs 0.67503093707411 0.08572068705129 0.42867108235788 132.905 > 21 23 Cs 0.17503093707411 0.58572068705129 0.42867108235788 132.905 > 21 24 Cs 0.67503093707411 0.58572068705129 0.42867108235788 132.905 > 21 25 Cs 0.32496906292589 0.41427931294871 0.57132891764212 132.905 > 25 26 Cs 0.82496906292589 0.41427931294871 0.57132891764212 132.905 > 25 27 Cs 0.32496906292589 0.91427931294871 0.57132891764212 132.905 > 25 28 Cs 0.82496906292589 0.91427931294871 0.57132891764212 132.905 > 25 29 Cs 0.02431220166066 0.06458954840961 0.65723228245320 132.905 > 29 30 Cs 0.52431220166066 0.06458954840961 0.65723228245320 132.905 > 29 31 Cs 0.02431220166066 0.56458954840961 0.65723228245320 132.905 > 29 32 Cs 0.52431220166066 0.56458954840961 0.65723228245320 132.905 > 29 33 Cs 0.31273269432806 0.15886080180829 0.69242083427058 132.905 > 33 34 Cs 0.81273269432806 0.15886080180829 0.69242083427058 132.905 > 33 35 Cs 0.31273269432806 0.65886080180829 0.69242083427058 132.905 > 33 36 Cs 0.81273269432806 0.65886080180829 0.69242083427058 132.905 > 33 37 Cs 0.18726730567194 0.40886080180829 0.80757916572942 132.905 > 37 38 Cs 0.68726730567194 0.40886080180829 0.80757916572942 132.905 > 37 39 Cs 0.18726730567194 0.90886080180829 0.80757916572942 132.905 > 37 40 Cs 0.68726730567194 0.90886080180829 0.80757916572942 132.905 > 37 41 Cs 0.47568779833934 0.31458954840961 0.84276771754680 132.905 > 41 42 Cs 0.97568779833934 0.31458954840961 0.84276771754680 132.905 > 41 43 Cs 0.47568779833934 0.81458954840961 0.84276771754680 132.905 > 41 44 Cs 0.97568779833934 0.81458954840961 0.84276771754680 132.905 > 41 45 Cs 0.17503093707411 0.16427931294871 0.92867108235788 132.905 > 45 46 Cs 0.67503093707411 0.16427931294871 0.92867108235788 132.905 > 45 47 Cs 0.17503093707411 0.66427931294871 0.92867108235788 132.905 > 45 48 Cs 0.67503093707411 0.66427931294871 0.92867108235788 132.905 > 45 49 Tl 0.08088394713074 0.45450675940694 0.07031714729915 204.383 > 49 50 Tl 0.58088394713074 0.45450675940694 0.07031714729915 204.383 > 49 51 Tl 0.08088394713074 0.95450675940694 0.07031714729915 204.383 > 49 52 Tl 0.58088394713074 0.95450675940694 0.07031714729915 204.383 > 49 53 Tl 0.41911605286926 0.20450675940694 0.42968285270085 204.383 > 53 54 Tl 0.91911605286926 0.20450675940694 0.42968285270085 204.383 > 53 55 Tl 0.41911605286926 0.70450675940694 0.42968285270085 204.383 > 53 56 Tl 0.91911605286926 0.70450675940694 0.42968285270085 204.383 > 53 57 Tl 0.08088394713074 0.29549324059306 0.57031714729915 204.383 > 57 58 Tl 0.58088394713074 0.29549324059306 0.57031714729915 204.383 > 57 59 Tl 0.08088394713074 0.79549324059306 0.57031714729915 204.383 > 57 60 Tl 0.58088394713074 0.79549324059306 0.57031714729915 204.383 > 57 61 Tl 0.41911605286926 0.04549324059306 0.92968285270085 204.383 > 61 62 Tl 0.91911605286926 0.04549324059306 0.92968285270085 204.383 > 61 63 Tl 0.41911605286926 0.54549324059306 0.92968285270085 204.383 > 61 64 Tl 0.91911605286926 0.54549324059306 0.92968285270085 204.383 > 61 65 O 0.12676983286118 0.32161439876729 0.04058162404551 15.999 > 65 66 O 0.62676983286118 0.32161439876729 0.04058162404551 15.999 > 65 67 O 0.12676983286118 0.82161439876729 0.04058162404551 15.999 > 65 68 O 0.62676983286118 0.82161439876729 0.04058162404551 15.999 > 65 69 O 0.44714394331618 0.47846241387848 0.09774334850833 15.999 > 69 70 O 0.94714394331618 0.47846241387848 0.09774334850833 15.999 > 69 71 O 0.44714394331618 0.97846241387848 0.09774334850833 15.999 > 69 72 O 0.94714394331618 0.97846241387848 0.09774334850833 15.999 > 69 73 O 0.14713436752323 0.02895562351287 0.20223192060182 15.999 > 73 74 O 0.64713436752323 0.02895562351287 0.20223192060182 15.999 > 73 75 O 0.14713436752323 0.52895562351287 0.20223192060182 15.999 > 73 76 O 0.64713436752323 0.52895562351287 0.20223192060182 15.999 > 73 77 O 0.35286563247677 0.27895562351287 0.29776807939818 15.999 > 77 78 O 0.85286563247677 0.27895562351287 0.29776807939818 15.999 > 77 79 O 0.35286563247677 0.77895562351287 0.29776807939818 15.999 > 77 80 O 0.85286563247677 0.77895562351287 0.29776807939818 15.999 > 77 81 O 0.05285605668382 0.22846241387848 0.40225665149167 15.999 > 81 82 O 0.55285605668382 0.22846241387848 0.40225665149167 15.999 > 81 83 O 0.05285605668382 0.72846241387848 0.40225665149167 15.999 > 81 84 O 0.55285605668382 0.72846241387848 0.40225665149167 15.999 > 81 85 O 0.37323016713882 0.07161439876729 0.45941837595449 15.999 > 85 86 O 0.87323016713882 0.07161439876729 0.45941837595449 15.999 > 85 87 O 0.37323016713882 0.57161439876729 0.45941837595449 15.999 > 85 88 O 0.87323016713882 0.57161439876729 0.45941837595449 15.999 > 85 89 O 0.12676983286118 0.42838560123271 0.54058162404551 15.999 > 89 90 O 0.62676983286118 0.42838560123271 0.54058162404551 15.999 > 89 91 O 0.12676983286118 0.92838560123271 0.54058162404551 15.999 > 89 92 O 0.62676983286118 0.92838560123271 0.54058162404551 15.999 > 89 93 O 0.44714394331618 0.27153758612152 0.59774334850833 15.999 > 93 94 O 0.94714394331618 0.27153758612152 0.59774334850833 15.999 > 93 95 O 0.44714394331618 0.77153758612152 0.59774334850833 15.999 > 93 96 O 0.94714394331618 0.77153758612152 0.59774334850833 15.999 > 93 97 O 0.14713436752323 0.22104437648713 0.70223192060182 15.999 > 97 98 O 0.64713436752323 0.22104437648713 0.70223192060182 15.999 > 97 99 O 0.14713436752323 0.72104437648713 0.70223192060182 15.999 > 97 100 O 0.64713436752323 0.72104437648713 0.70223192060182 15.999 > 97 101 O 0.35286563247677 0.47104437648713 0.79776807939818 15.999 > 101 102 O 0.85286563247677 0.47104437648713 0.79776807939818 15.999 > 101 103 O 0.35286563247677 0.97104437648713 0.79776807939818 15.999 > 101 104 O 0.85286563247677 0.97104437648713 0.79776807939818 15.999 > 101 105 O 0.05285605668382 0.02153758612152 0.90225665149167 15.999 > 105 106 O 0.55285605668382 0.02153758612152 0.90225665149167 15.999 > 105 107 O 0.05285605668382 0.52153758612152 0.90225665149167 15.999 > 105 108 O 0.55285605668382 0.52153758612152 0.90225665149167 15.999 > 105 109 O 0.37323016713882 0.17838560123271 0.95941837595449 15.999 > 109 110 O 0.87323016713882 0.17838560123271 0.95941837595449 15.999 > 109 111 O 0.37323016713882 0.67838560123271 0.95941837595449 15.999 > 109 112 O 0.87323016713882 0.67838560123271 0.95941837595449 15.999 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8726698 0.0000000 0.1737567 0.0000000 3.9679937 0.0000000 0.1737783 0.0000000 3.9730955 -------------------------- Born effective charges -------------------------- 1 Cs 1.3439283 0.0973068 0.0460266 0.0276361 1.4028429 0.0126030 -0.0445188 -0.0192201 1.3855978 2 Cs 1.0418503 -0.0072011 0.0083190 0.0854606 1.4195030 0.0004251 -0.0025891 0.0982068 1.3896953 3 Cs 1.5578827 0.1284415 -0.1355138 0.1478203 1.1810344 0.1113871 -0.0109755 0.1602847 1.3057168 4 Cs 1.5578827 -0.1284415 -0.1355138 -0.1478203 1.1810344 -0.1113871 -0.0109755 -0.1602847 1.3057168 5 Cs 1.0418503 0.0072011 0.0083190 -0.0854606 1.4195030 -0.0004251 -0.0025891 -0.0982068 1.3896953 6 Cs 1.3439283 -0.0973068 0.0460266 -0.0276361 1.4028429 -0.0126030 -0.0445188 0.0192201 1.3855978 7 Cs 1.3439283 -0.0973068 0.0460266 -0.0276361 1.4028429 -0.0126030 -0.0445188 0.0192201 1.3855978 8 Cs 1.0418503 0.0072011 0.0083190 -0.0854606 1.4195030 -0.0004251 -0.0025891 -0.0982068 1.3896953 9 Cs 1.5578827 -0.1284415 -0.1355138 -0.1478203 1.1810344 -0.1113871 -0.0109755 -0.1602847 1.3057168 10 Cs 1.5578827 0.1284415 -0.1355138 0.1478203 1.1810344 0.1113871 -0.0109755 0.1602847 1.3057168 11 Cs 1.0418503 -0.0072011 0.0083190 0.0854606 1.4195030 0.0004251 -0.0025891 0.0982068 1.3896953 12 Cs 1.3439283 0.0973068 0.0460266 0.0276361 1.4028429 0.0126030 -0.0445188 -0.0192201 1.3855978 13 Tl 2.3658458 -0.4939274 0.6790088 -0.4869715 2.6572963 0.1205488 0.6905208 0.2475160 2.4413737 14 Tl 2.3658458 0.4939274 0.6790088 0.4869715 2.6572963 -0.1205488 0.6905208 -0.2475160 2.4413737 15 Tl 2.3658458 0.4939274 0.6790088 0.4869715 2.6572963 -0.1205488 0.6905208 -0.2475160 2.4413737 16 Tl 2.3658458 -0.4939274 0.6790088 -0.4869715 2.6572963 0.1205488 0.6905208 0.2475160 2.4413737 17 O -1.8635702 0.3931972 0.0316467 0.4042482 -2.6861251 -0.1602643 -0.0536286 -0.1468624 -1.8994392 18 O -2.3274860 0.1604699 -0.0371741 0.0069635 -1.8566156 0.3590462 -0.0306585 0.2624984 -2.2296627 19 O -2.1184509 -0.2360439 -0.5923132 -0.1907049 -2.1179358 -0.2383210 -0.5481502 -0.3318111 -2.3932817 20 O -2.1184509 0.2360439 -0.5923132 0.1907049 -2.1179358 0.2383210 -0.5481502 0.3318111 -2.3932817 21 O -2.3274860 -0.1604699 -0.0371741 -0.0069635 -1.8566156 -0.3590462 -0.0306585 -0.2624984 -2.2296627 22 O -1.8635702 -0.3931972 0.0316467 -0.4042482 -2.6861251 0.1602643 -0.0536286 0.1468624 -1.8994392 23 O -1.8635702 -0.3931972 0.0316467 -0.4042482 -2.6861251 0.1602643 -0.0536286 0.1468624 -1.8994392 24 O -2.3274860 -0.1604699 -0.0371741 -0.0069635 -1.8566156 -0.3590462 -0.0306585 -0.2624984 -2.2296627 25 O -2.1184509 0.2360439 -0.5923132 0.1907049 -2.1179358 0.2383210 -0.5481502 0.3318111 -2.3932817 26 O -2.1184509 -0.2360439 -0.5923132 -0.1907049 -2.1179358 -0.2383210 -0.5481502 -0.3318111 -2.3932817 27 O -2.3274860 0.1604699 -0.0371741 0.0069635 -1.8566156 0.3590462 -0.0306585 0.2624984 -2.2296627 28 O -1.8635702 0.3931972 0.0316467 0.4042482 -2.6861251 -0.1602643 -0.0536286 -0.1468624 -1.8994392 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 6 7 4 ] 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: 0.47, Number of G-points: 307, Lambda: 0.10 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/56) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.943 ( 0.000 0.000 0.000) 0.000 1.065 ( 0.000 0.000 0.000) 0.000 1.086 ( 0.000 0.000 0.000) 0.000 1.086 ( 0.000 0.000 0.000) 0.000 1.157 ( 0.000 0.000 0.000) 0.000 1.178 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.250 ( 0.000 0.000 0.000) 0.000 1.290 ( 0.000 0.000 0.000) 0.000 1.366 ( 0.000 0.000 0.000) 0.000 1.382 ( 0.000 0.000 0.000) 0.000 1.422 ( 0.000 0.000 0.000) 0.000 1.430 ( 0.000 0.000 0.000) 0.000 1.459 ( 0.000 0.000 0.000) 0.000 1.605 ( 0.000 0.000 0.000) 0.000 1.619 ( 0.000 0.000 0.000) 0.000 1.627 ( 0.000 0.000 0.000) 0.000 1.749 ( 0.000 0.000 0.000) 0.000 1.796 ( 0.000 0.000 0.000) 0.000 1.812 ( 0.000 0.000 0.000) 0.000 1.880 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.022 ( 0.000 0.000 0.000) 0.000 2.087 ( 0.000 0.000 0.000) 0.000 2.147 ( 0.000 0.000 0.000) 0.000 2.162 ( 0.000 0.000 0.000) 0.000 2.186 ( 0.000 0.000 0.000) 0.000 2.225 ( 0.000 0.000 0.000) 0.000 2.241 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.372 ( 0.000 0.000 0.000) 0.000 2.420 ( 0.000 0.000 0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.518 ( 0.000 0.000 0.000) 0.000 2.547 ( 0.000 0.000 0.000) 0.000 2.575 ( 0.000 0.000 0.000) 0.000 2.685 ( 0.000 0.000 0.000) 0.000 2.764 ( 0.000 0.000 0.000) 0.000 2.810 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.852 ( 0.000 0.000 0.000) 0.000 2.874 ( 0.000 0.000 0.000) 0.000 3.400 ( 0.000 0.000 0.000) 0.000 3.457 ( 0.000 0.000 0.000) 0.000 3.500 ( 0.000 0.000 0.000) 0.000 3.717 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 3.854 ( 0.000 0.000 0.000) 0.000 4.019 ( 0.000 0.000 0.000) 0.000 4.134 ( 0.000 0.000 0.000) 0.000 4.170 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.244 ( 0.000 0.000 0.000) 0.000 4.518 ( 0.000 0.000 0.000) 0.000 4.816 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.907 ( 0.000 0.000 0.000) 0.000 4.995 ( 0.000 0.000 0.000) 0.000 5.337 ( 0.000 0.000 0.000) 0.000 5.575 ( 0.000 0.000 0.000) 0.000 5.585 ( 0.000 0.000 0.000) 0.000 5.978 ( 0.000 0.000 0.000) 0.000 6.117 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 10.078 ( 0.000 0.000 0.000) 0.000 10.138 ( 0.000 0.000 0.000) 0.000 10.152 ( 0.000 0.000 0.000) 0.000 10.238 ( 0.000 0.000 0.000) 0.000 11.173 ( 0.000 0.000 0.000) 0.000 11.514 ( 0.000 0.000 0.000) 0.000 11.790 ( 0.000 0.000 0.000) 0.000 12.007 ( 0.000 0.000 0.000) 0.000 13.182 ( 0.000 0.000 0.000) 0.000 13.206 ( 0.000 0.000 0.000) 0.000 13.640 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 14.485 ( 0.000 0.000 0.000) 0.000 14.638 ( 0.000 0.000 0.000) 0.000 14.817 ( 0.000 0.000 0.000) 0.000 14.871 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/56) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.234 ( 10.531 0.000 2.667) 10.863 0.316 ( 15.441 0.000 -1.253) 15.492 0.529 ( 24.130 0.000 9.111) 25.793 0.898 ( -7.947 0.000 4.150) 8.965 1.015 ( 6.403 0.000 -2.236) 6.782 1.057 ( -4.645 0.000 -1.733) 4.958 1.093 ( -5.098 0.000 -2.223) 5.561 1.104 ( 1.990 0.000 -2.716) 3.367 1.231 ( -2.476 0.000 -1.443) 2.866 1.263 ( -5.211 0.000 7.509) 9.140 1.285 ( 5.482 0.000 -2.424) 5.994 1.285 ( 0.661 0.000 1.189) 1.360 1.326 ( -3.989 0.000 -0.628) 4.038 1.356 ( 4.867 0.000 -1.281) 5.032 1.402 ( -0.186 0.000 -2.030) 2.039 1.467 ( 0.897 0.000 -2.405) 2.567 1.544 ( 5.755 0.000 0.033) 5.756 1.606 ( 0.136 0.000 -1.562) 1.568 1.654 ( 2.248 0.000 2.811) 3.599 1.680 ( 1.725 0.000 1.878) 2.550 1.705 ( -5.831 0.000 -0.624) 5.864 1.780 ( 2.055 0.000 4.797) 5.219 1.833 ( 1.694 0.000 0.307) 1.722 1.913 ( -5.050 0.000 -0.567) 5.082 1.913 ( -0.751 0.000 -1.099) 1.331 1.982 ( 2.620 0.000 1.036) 2.817 2.055 ( -2.161 0.000 -4.714) 5.186 2.066 ( -6.977 0.000 2.438) 7.391 2.096 ( 1.497 0.000 -4.033) 4.301 2.144 ( 1.395 0.000 2.167) 2.577 2.169 ( -2.161 0.000 -8.607) 8.874 2.192 ( -1.942 0.000 -7.329) 7.582 2.256 ( -2.166 0.000 1.089) 2.424 2.296 ( -6.447 0.000 6.788) 9.362 2.371 ( 5.390 0.000 5.413) 7.638 2.395 ( -1.039 0.000 2.182) 2.417 2.484 ( -2.327 0.000 -1.904) 3.007 2.514 ( 0.096 0.000 -2.094) 2.096 2.568 ( 0.587 0.000 -5.888) 5.917 2.591 ( 1.937 0.000 3.694) 4.171 2.688 ( -1.262 0.000 5.893) 6.027 2.720 ( -1.464 0.000 -2.321) 2.744 2.781 ( -0.674 0.000 0.834) 1.072 2.850 ( -0.498 0.000 1.351) 1.440 2.897 ( 4.033 0.000 -0.993) 4.154 2.937 ( 3.904 0.000 0.472) 3.933 3.431 ( 1.501 0.000 2.548) 2.957 3.514 ( 6.094 0.000 0.989) 6.173 3.524 ( 1.941 0.000 0.902) 2.140 3.712 ( -0.170 0.000 -1.999) 2.006 3.746 ( -8.441 0.000 1.866) 8.645 3.748 ( -1.641 0.000 0.190) 1.652 4.031 ( -8.417 0.000 -2.121) 8.680 4.045 ( 0.611 0.000 -3.063) 3.123 4.110 ( -3.942 0.000 1.983) 4.413 4.122 ( -5.696 0.000 -1.044) 5.791 4.294 ( 0.720 0.000 6.947) 6.984 4.579 ( -7.260 0.000 6.487) 9.736 4.631 ( -13.255 0.000 -1.248) 13.314 5.047 ( 9.114 0.000 2.914) 9.568 5.098 ( -16.637 0.000 -6.502) 17.863 5.190 ( 13.822 0.000 -3.583) 14.279 5.548 ( 1.096 0.000 3.496) 3.664 5.797 ( 10.105 0.000 1.818) 10.267 5.798 ( -7.189 0.000 6.602) 9.760 6.078 ( 3.892 0.000 5.602) 6.822 6.533 ( 6.367 0.000 4.371) 7.722 6.625 ( 3.505 0.000 -20.308) 20.608 10.084 ( -0.811 0.000 2.335) 2.471 10.089 ( 1.018 0.000 -0.183) 1.034 10.281 ( 7.508 0.000 -2.246) 7.837 10.440 ( 1.065 0.000 -22.337) 22.362 11.468 ( -3.586 0.000 -2.005) 4.108 11.805 ( 1.390 0.000 -0.301) 1.422 12.045 ( 3.031 0.000 0.734) 3.119 12.405 ( -1.225 0.000 16.833) 16.877 13.195 ( -0.778 0.000 7.226) 7.268 13.212 ( 0.000 0.000 5.510) 5.510 13.628 ( -0.953 0.000 -0.676) 1.168 13.829 ( 0.064 0.000 0.925) 0.927 14.477 ( -0.882 0.000 1.759) 1.968 14.820 ( -3.275 0.000 1.728) 3.703 14.823 ( 0.779 0.000 -2.581) 2.696 14.964 ( 1.331 0.000 15.284) 15.342 ======================= Grid point 2 (3/56) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 5.478 0.000 2.536) 6.036 0.622 ( 14.306 0.000 0.238) 14.308 0.819 ( 0.725 0.000 -3.064) 3.148 0.937 ( -5.843 0.000 -0.770) 5.893 0.964 ( 13.932 0.000 4.854) 14.753 0.988 ( -4.524 0.000 5.318) 6.982 1.124 ( -4.480 0.000 -3.096) 5.446 1.160 ( 8.797 0.000 -2.449) 9.132 1.166 ( -4.809 0.000 0.353) 4.822 1.177 ( -1.821 0.000 -0.190) 1.831 1.250 ( 2.506 0.000 -0.563) 2.569 1.317 ( 1.693 0.000 2.560) 3.069 1.344 ( -1.716 0.000 -2.043) 2.668 1.392 ( 4.658 0.000 2.575) 5.322 1.476 ( 3.291 0.000 -0.971) 3.431 1.482 ( 1.228 0.000 -3.651) 3.852 1.585 ( -4.855 0.000 -1.095) 4.977 1.592 ( 0.902 0.000 -1.915) 2.117 1.670 ( 4.041 0.000 3.772) 5.528 1.714 ( -0.806 0.000 0.916) 1.220 1.749 ( 5.904 0.000 0.748) 5.951 1.807 ( -3.853 0.000 5.178) 6.454 1.809 ( -2.938 0.000 -3.663) 4.696 1.858 ( -2.592 0.000 0.629) 2.667 1.879 ( 1.315 0.000 2.287) 2.638 1.905 ( -3.338 0.000 3.413) 4.774 1.960 ( -5.083 0.000 -2.368) 5.608 2.044 ( 0.071 0.000 -2.533) 2.534 2.071 ( -6.717 0.000 -2.184) 7.063 2.084 ( -3.977 0.000 -4.037) 5.667 2.164 ( 0.323 0.000 -1.449) 1.484 2.177 ( -0.092 0.000 -1.958) 1.960 2.184 ( -1.895 0.000 -1.817) 2.625 2.212 ( -0.879 0.000 -1.013) 1.342 2.376 ( -2.171 0.000 4.607) 5.093 2.424 ( 1.365 0.000 -1.585) 2.092 2.476 ( -0.822 0.000 -0.122) 0.831 2.485 ( 1.057 0.000 -0.604) 1.218 2.576 ( 0.021 0.000 -0.459) 0.460 2.664 ( 3.919 0.000 3.956) 5.569 2.677 ( -0.320 0.000 1.484) 1.518 2.720 ( 0.874 0.000 -3.252) 3.367 2.811 ( 2.839 0.000 0.867) 2.968 2.825 ( -2.313 0.000 3.750) 4.406 2.961 ( 2.243 0.000 -0.362) 2.272 3.005 ( 2.437 0.000 0.150) 2.441 3.458 ( 1.006 0.000 1.352) 1.685 3.556 ( 0.423 0.000 1.191) 1.264 3.585 ( -6.422 0.000 1.735) 6.652 3.668 ( -4.069 0.000 -2.070) 4.565 3.674 ( 7.281 0.000 1.266) 7.391 3.739 ( 1.661 0.000 -1.737) 2.403 3.909 ( -2.228 0.000 1.822) 2.878 3.962 ( -4.839 0.000 -1.904) 5.200 4.035 ( -2.922 0.000 0.238) 2.932 4.071 ( -0.755 0.000 -1.755) 1.910 4.306 ( 0.290 0.000 2.028) 2.049 4.369 ( -10.087 0.000 -0.610) 10.105 4.452 ( -6.201 0.000 3.648) 7.194 4.743 ( -15.468 0.000 -5.985) 16.585 5.216 ( 6.301 0.000 1.354) 6.445 5.444 ( 10.049 0.000 -2.947) 10.472 5.577 ( 0.850 0.000 1.682) 1.884 5.692 ( -3.556 0.000 0.974) 3.687 5.959 ( 5.309 0.000 1.331) 5.474 6.131 ( 0.867 0.000 2.156) 2.324 6.661 ( 4.389 0.000 4.017) 5.950 6.670 ( 2.617 0.000 -6.433) 6.945 10.103 ( 1.621 0.000 1.525) 2.226 10.112 ( 1.012 0.000 -0.172) 1.027 10.413 ( 4.934 0.000 -1.088) 5.052 10.422 ( -0.176 0.000 -7.221) 7.223 11.397 ( -2.448 0.000 -2.005) 3.164 11.836 ( 1.409 0.000 -0.289) 1.438 12.107 ( 2.406 0.000 0.567) 2.472 12.409 ( -0.250 0.000 5.075) 5.081 13.192 ( -0.269 0.000 1.411) 1.436 13.221 ( 0.173 0.000 2.858) 2.863 13.606 ( -0.881 0.000 -0.604) 1.068 13.832 ( 0.055 0.000 0.885) 0.886 14.460 ( -0.786 0.000 1.183) 1.420 14.765 ( -1.982 0.000 -0.312) 2.006 14.835 ( 0.648 0.000 -1.999) 2.101 15.007 ( 1.018 0.000 5.487) 5.581 ======================= Grid point 3 (4/56) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 0.000 0.000 0.000) 0.000 0.843 ( 0.000 0.000 0.000) 0.000 0.851 ( 0.000 0.000 -0.000) 0.000 0.896 ( -0.000 0.000 0.000) 0.000 0.928 ( 0.000 0.000 -0.000) 0.000 0.970 ( -0.000 0.000 -0.000) 0.000 1.074 ( 0.000 0.000 0.000) 0.000 1.099 ( 0.000 0.000 -0.000) 0.000 1.161 ( 0.000 0.000 0.000) 0.000 1.260 ( 0.000 0.000 -0.000) 0.000 1.322 ( 0.000 0.000 -0.000) 0.000 1.360 ( 0.000 0.000 0.000) 0.000 1.380 ( 0.000 0.000 -0.000) 0.000 1.451 ( 0.000 0.000 -0.000) 0.000 1.501 ( 0.000 0.000 -0.000) 0.000 1.514 ( 0.000 0.000 -0.000) 0.000 1.577 ( 0.000 0.000 0.000) 0.000 1.591 ( 0.000 0.000 -0.000) 0.000 1.604 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 -0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.865 ( 0.000 0.000 -0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.896 ( 0.000 0.000 0.000) 0.000 1.905 ( -0.000 0.000 -0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 2.009 ( 0.000 0.000 -0.000) 0.000 2.019 ( 0.000 0.000 0.000) 0.000 2.154 ( 0.000 0.000 -0.000) 0.000 2.168 ( 0.000 0.000 -0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.206 ( 0.000 0.000 -0.000) 0.000 2.347 ( 0.000 0.000 -0.000) 0.000 2.466 ( -0.000 0.000 0.000) 0.000 2.471 ( 0.000 0.000 -0.000) 0.000 2.476 ( 0.000 0.000 0.000) 0.000 2.576 ( 0.000 0.000 -0.000) 0.000 2.678 ( 0.000 0.000 0.000) 0.000 2.724 ( 0.000 0.000 -0.000) 0.000 2.737 ( 0.000 0.000 -0.000) 0.000 2.771 ( 0.000 0.000 -0.000) 0.000 2.858 ( 0.000 0.000 0.000) 0.000 2.984 ( 0.000 0.000 0.000) 0.000 3.031 ( 0.000 0.000 -0.000) 0.000 3.477 ( 0.000 0.000 0.000) 0.000 3.511 ( -0.000 0.000 -0.000) 0.000 3.551 ( 0.000 0.000 0.000) 0.000 3.617 ( 0.000 0.000 0.000) 0.000 3.742 ( 0.000 0.000 -0.000) 0.000 3.762 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 -0.000) 0.000 3.939 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 0.000) 0.000 4.050 ( 0.000 0.000 -0.000) 0.000 4.272 ( 0.000 0.000 -0.000) 0.000 4.319 ( 0.000 0.000 -0.000) 0.000 4.369 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.553 ( 0.000 0.000 -0.000) 0.000 5.583 ( 0.000 0.000 0.000) 0.000 5.657 ( 0.000 0.000 0.000) 0.000 6.015 ( 0.000 0.000 -0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.693 ( 0.000 0.000 -0.000) 0.000 6.710 ( 0.000 0.000 -0.000) 0.000 10.123 ( 0.000 0.000 0.000) 0.000 10.126 ( 0.000 0.000 0.000) 0.000 10.414 ( 0.000 0.000 -0.000) 0.000 10.464 ( 0.000 0.000 -0.000) 0.000 11.370 ( 0.000 0.000 -0.000) 0.000 11.852 ( 0.000 0.000 -0.000) 0.000 12.133 ( 0.000 0.000 -0.000) 0.000 12.411 ( 0.000 0.000 0.000) 0.000 13.190 ( 0.000 0.000 0.000) 0.000 13.226 ( 0.000 0.000 -0.000) 0.000 13.596 ( 0.000 0.000 -0.000) 0.000 13.834 ( 0.000 0.000 0.000) 0.000 14.453 ( 0.000 0.000 -0.000) 0.000 14.744 ( 0.000 0.000 -0.000) 0.000 14.840 ( 0.000 0.000 -0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/56) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.199 ( 0.000 10.842 0.000) 10.842 0.287 ( 0.000 14.236 0.000) 14.236 0.490 ( 0.000 24.323 0.000) 24.323 0.980 ( 0.000 3.461 0.000) 3.461 1.068 ( 0.000 0.292 0.000) 0.292 1.103 ( 0.000 1.048 0.000) 1.048 1.120 ( 0.000 3.858 0.000) 3.858 1.214 ( 0.000 -0.382 0.000) 0.382 1.220 ( 0.000 0.573 0.000) 0.573 1.248 ( 0.000 -1.412 0.000) 1.412 1.264 ( 0.000 5.126 0.000) 5.126 1.275 ( 0.000 -4.236 0.000) 4.236 1.337 ( 0.000 3.479 0.000) 3.479 1.369 ( 0.000 -0.857 0.000) 0.857 1.405 ( 0.000 -2.037 0.000) 2.037 1.459 ( 0.000 1.867 0.000) 1.867 1.533 ( 0.000 4.283 0.000) 4.283 1.561 ( 0.000 -1.544 0.000) 1.544 1.601 ( 0.000 -3.338 0.000) 3.338 1.679 ( 0.000 2.815 0.000) 2.815 1.728 ( 0.000 -3.236 0.000) 3.236 1.812 ( 0.000 1.587 0.000) 1.587 1.833 ( 0.000 4.577 0.000) 4.577 1.857 ( 0.000 -3.486 0.000) 3.486 1.910 ( 0.000 -2.074 0.000) 2.074 1.990 ( 0.000 -3.151 0.000) 3.151 1.993 ( 0.000 -1.148 0.000) 1.148 2.050 ( 0.000 -6.455 0.000) 6.455 2.108 ( 0.000 0.570 0.000) 0.570 2.129 ( 0.000 -2.109 0.000) 2.109 2.211 ( 0.000 0.953 0.000) 0.953 2.242 ( 0.000 -0.265 0.000) 0.265 2.276 ( 0.000 1.592 0.000) 1.592 2.307 ( 0.000 1.476 0.000) 1.476 2.359 ( 0.000 -0.403 0.000) 0.403 2.417 ( 0.000 -0.872 0.000) 0.872 2.486 ( 0.000 -1.759 0.000) 1.759 2.497 ( 0.000 2.048 0.000) 2.048 2.537 ( 0.000 -3.019 0.000) 3.019 2.565 ( 0.000 -0.439 0.000) 0.439 2.690 ( 0.000 2.056 0.000) 2.056 2.765 ( 0.000 -0.107 0.000) 0.107 2.780 ( 0.000 -2.037 0.000) 2.037 2.880 ( 0.000 2.309 0.000) 2.309 2.891 ( 0.000 1.164 0.000) 1.164 3.080 ( 0.000 -2.496 0.000) 2.496 3.419 ( 0.000 1.873 0.000) 1.873 3.439 ( 0.000 -1.704 0.000) 1.704 3.477 ( 0.000 -2.249 0.000) 2.249 3.686 ( 0.000 -4.561 0.000) 4.561 3.814 ( 0.000 -4.381 0.000) 4.381 3.865 ( 0.000 -2.098 0.000) 2.098 4.055 ( 0.000 2.949 0.000) 2.949 4.159 ( 0.000 0.673 0.000) 0.673 4.160 ( 0.000 -0.857 0.000) 0.857 4.223 ( 0.000 5.004 0.000) 5.004 4.339 ( 0.000 6.458 0.000) 6.458 4.531 ( 0.000 4.030 0.000) 4.030 4.735 ( 0.000 -8.401 0.000) 8.401 4.785 ( 0.000 -8.019 0.000) 8.019 5.021 ( 0.000 1.225 0.000) 1.225 5.090 ( 0.000 3.408 0.000) 3.408 5.371 ( 0.000 1.062 0.000) 1.062 5.614 ( 0.000 5.238 0.000) 5.238 5.811 ( 0.000 -10.458 0.000) 10.458 6.211 ( 0.000 6.618 0.000) 6.618 6.243 ( 0.000 11.464 0.000) 11.464 7.350 ( 0.000 -4.579 0.000) 4.579 10.064 ( 0.000 -1.328 0.000) 1.328 10.107 ( 0.000 -2.723 0.000) 2.723 10.177 ( 0.000 -1.206 0.000) 1.206 10.238 ( 0.000 -0.331 0.000) 0.331 11.171 ( 0.000 -0.032 0.000) 0.032 11.755 ( 0.000 -6.642 0.000) 6.642 11.833 ( 0.000 1.247 0.000) 1.247 12.007 ( 0.000 -0.044 0.000) 0.044 13.201 ( 0.000 1.843 0.000) 1.843 13.242 ( 0.000 3.174 0.000) 3.174 13.856 ( 0.000 3.053 0.000) 3.053 14.481 ( 0.000 -0.094 0.000) 0.094 14.614 ( 0.000 -1.946 0.000) 1.946 14.698 ( 0.000 -8.277 0.000) 8.277 14.860 ( 0.000 3.640 0.000) 3.640 14.937 ( 0.000 3.295 0.000) 3.295 ======================= Grid point 8 (6/56) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.309 ( 9.129 6.948 1.438) 11.562 0.416 ( 11.315 9.044 -1.022) 14.521 0.686 ( 13.035 13.357 5.955) 19.590 0.911 ( -6.524 1.512 4.132) 7.869 1.040 ( 4.973 2.884 -2.055) 6.105 1.107 ( -3.894 1.023 -1.195) 4.200 1.117 ( -3.315 5.315 -1.822) 6.524 1.144 ( -0.833 1.871 -2.140) 2.962 1.229 ( -0.915 0.903 0.443) 1.360 1.251 ( -1.246 -0.462 -0.196) 1.343 1.296 ( 3.146 1.609 -2.382) 4.262 1.309 ( 3.304 0.130 2.012) 3.871 1.343 ( -1.373 -0.833 0.939) 1.860 1.351 ( 1.315 2.415 -1.450) 3.109 1.430 ( -2.294 2.490 -0.327) 3.401 1.455 ( 2.415 -1.512 2.728) 3.945 1.538 ( 2.033 -0.858 -1.165) 2.495 1.571 ( 1.519 -0.286 -2.554) 2.986 1.636 ( 2.516 -1.326 2.713) 3.931 1.689 ( -2.817 -0.024 -0.308) 2.833 1.719 ( 0.445 1.188 1.006) 1.619 1.770 ( 1.295 -2.061 0.162) 2.439 1.841 ( 0.488 1.426 0.256) 1.529 1.857 ( -2.992 -3.442 -0.365) 4.575 1.915 ( -0.412 0.065 -0.179) 0.454 1.951 ( -0.192 -4.108 0.978) 4.227 2.005 ( -1.426 -3.374 -2.147) 4.246 2.046 ( -5.607 -2.007 1.845) 6.234 2.105 ( 0.196 0.550 -3.544) 3.592 2.135 ( 1.030 -1.193 1.305) 2.046 2.164 ( -1.897 -1.519 0.146) 2.435 2.195 ( 0.415 1.236 -8.176) 8.279 2.273 ( -0.986 0.844 -0.223) 1.317 2.323 ( -3.337 0.530 4.054) 5.277 2.360 ( -0.507 1.326 0.559) 1.526 2.424 ( 0.934 2.201 0.878) 2.547 2.481 ( 0.114 -1.454 -2.516) 2.908 2.508 ( 0.602 0.050 0.974) 1.146 2.549 ( -0.187 -1.789 -1.237) 2.183 2.584 ( 1.713 -0.578 0.920) 2.029 2.634 ( -2.654 -2.651 3.623) 5.215 2.725 ( -0.935 0.732 -0.348) 1.237 2.827 ( -1.501 2.179 0.907) 2.797 2.842 ( 0.092 -1.522 0.760) 1.704 2.915 ( 0.839 1.011 0.738) 1.507 2.987 ( -1.177 2.524 -2.138) 3.511 3.426 ( 0.538 -0.203 1.739) 1.831 3.482 ( 3.499 -2.619 0.642) 4.418 3.514 ( 3.575 -1.453 1.862) 4.285 3.658 ( -3.067 -3.565 1.320) 4.884 3.718 ( -3.667 -0.999 -2.376) 4.482 3.794 ( -5.547 -0.182 0.419) 5.566 4.017 ( -5.148 1.549 -4.159) 6.797 4.065 ( -4.241 0.100 -0.930) 4.343 4.140 ( -2.721 0.615 1.329) 3.090 4.173 ( -7.423 4.047 0.117) 8.456 4.333 ( 0.526 4.545 4.903) 6.706 4.499 ( -4.546 -4.531 3.807) 7.462 4.650 ( -10.004 -0.036 1.353) 10.096 4.968 ( -1.987 -12.784 0.503) 12.948 5.055 ( 7.084 1.088 2.538) 7.604 5.162 ( 10.229 -2.499 -1.681) 10.663 5.291 ( -0.303 -5.347 -7.583) 9.283 5.789 ( -1.759 -5.859 -0.707) 6.158 5.821 ( 11.744 4.472 2.454) 12.804 6.241 ( 0.778 12.575 1.878) 12.738 6.383 ( 11.757 1.162 3.616) 12.355 7.065 ( -13.160 13.544 -7.160) 20.196 10.053 ( 0.330 -1.891 0.587) 2.007 10.081 ( 0.181 -1.409 -0.417) 1.481 10.262 ( 6.781 -1.356 0.060) 6.916 10.417 ( 5.901 -2.659 -13.320) 14.810 11.365 ( 6.424 -8.484 3.072) 11.076 11.796 ( 4.609 -18.762 12.028) 22.758 11.834 ( 1.192 2.534 -0.941) 2.955 12.106 ( 6.783 -4.356 0.434) 8.073 13.205 ( 0.317 1.381 1.014) 1.743 13.236 ( -0.541 2.856 -0.202) 2.914 13.846 ( -0.897 2.426 -0.170) 2.592 14.153 ( -21.550 20.352 -4.950) 30.052 14.476 ( -0.653 0.025 1.543) 1.676 14.712 ( -1.661 -6.425 5.515) 8.629 14.865 ( 0.938 1.615 -3.019) 3.550 15.008 ( 1.655 2.650 8.667) 9.213 ======================= Grid point 9 (7/56) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.492 ( 6.484 7.151 2.238) 9.909 0.673 ( 12.884 4.755 -1.452) 13.810 0.798 ( 1.704 -0.899 2.296) 2.997 0.914 ( -1.101 1.327 -1.467) 2.264 1.011 ( -3.477 2.877 1.727) 4.832 1.045 ( -1.693 3.119 3.062) 4.688 1.138 ( -1.989 1.425 -2.258) 3.330 1.183 ( -0.733 1.586 0.311) 1.775 1.213 ( 1.871 3.756 -3.702) 5.596 1.222 ( 0.952 4.168 0.284) 4.285 1.281 ( 4.732 3.134 -2.190) 6.084 1.301 ( -0.684 -1.232 1.698) 2.206 1.365 ( 1.395 2.328 -0.208) 2.722 1.426 ( 4.314 2.355 4.666) 6.777 1.458 ( 2.753 -1.279 -1.535) 3.402 1.489 ( 1.069 1.411 -1.289) 2.190 1.564 ( 0.307 -3.157 -0.565) 3.222 1.578 ( -1.078 -0.876 -0.935) 1.674 1.645 ( 1.563 0.609 -0.543) 1.763 1.727 ( 3.513 -0.831 1.824) 4.044 1.757 ( -0.632 -0.234 1.610) 1.746 1.780 ( 0.416 -1.247 -2.057) 2.441 1.805 ( -5.306 -1.025 3.684) 6.540 1.844 ( 1.517 -2.040 1.794) 3.112 1.854 ( -4.206 -0.147 1.886) 4.612 1.910 ( -1.622 -2.853 -1.007) 3.433 1.925 ( -1.625 -0.804 0.280) 1.834 2.003 ( -2.462 -2.902 -3.074) 4.892 2.066 ( -1.523 0.070 -2.144) 2.631 2.101 ( -4.033 -0.059 0.254) 4.042 2.172 ( -1.161 1.149 -0.538) 1.720 2.189 ( -0.431 0.866 -2.774) 2.937 2.199 ( -5.330 4.019 -3.028) 7.330 2.276 ( 1.521 2.662 -1.202) 3.293 2.363 ( 1.432 -2.489 1.173) 3.102 2.421 ( -3.807 0.158 1.235) 4.006 2.464 ( -0.024 -1.153 -0.354) 1.206 2.475 ( 0.247 0.390 -1.578) 1.644 2.555 ( -0.510 -2.412 -1.708) 2.999 2.625 ( 0.343 -4.601 3.487) 5.783 2.663 ( 4.302 0.027 3.063) 5.281 2.729 ( 1.398 0.961 -2.381) 2.924 2.791 ( -1.477 -1.944 0.603) 2.515 2.855 ( -0.198 2.208 3.592) 4.221 2.946 ( 2.169 -1.043 -0.504) 2.459 2.996 ( 0.631 -1.278 0.035) 1.425 3.446 ( 1.020 -0.893 1.556) 2.064 3.540 ( 0.509 -2.820 0.397) 2.893 3.550 ( -2.991 -2.676 1.331) 4.229 3.631 ( 2.775 -3.229 0.731) 4.320 3.670 ( -0.903 -2.741 0.063) 2.887 3.683 ( -3.794 -1.977 -2.147) 4.787 3.888 ( -3.527 0.562 -1.297) 3.799 3.991 ( -3.738 1.210 -0.715) 3.993 4.049 ( -4.239 1.509 -0.170) 4.503 4.091 ( -1.394 0.271 0.008) 1.420 4.313 ( -4.949 0.876 -1.779) 5.331 4.392 ( -4.451 -1.026 -0.787) 4.635 4.485 ( -3.218 5.791 6.313) 9.152 4.742 ( -12.662 -0.879 -0.876) 12.723 5.231 ( 5.464 0.763 -1.358) 5.682 5.314 ( 6.756 -10.740 -1.599) 12.788 5.394 ( 5.631 -10.167 0.702) 11.643 5.711 ( -4.128 -0.860 -1.077) 4.352 6.025 ( 6.700 6.829 1.096) 9.629 6.290 ( 3.141 13.277 0.163) 13.645 6.584 ( 6.364 -0.758 3.764) 7.432 6.901 ( -3.587 11.691 -3.464) 12.710 10.080 ( 1.694 -1.791 1.046) 2.678 10.100 ( 1.201 -1.199 -0.753) 1.857 10.387 ( 4.450 -1.027 0.782) 4.634 10.453 ( 0.959 0.868 -6.842) 6.963 11.381 ( -1.461 -1.712 -1.679) 2.808 11.866 ( 1.745 2.489 -1.481) 3.381 11.925 ( 4.307 -20.265 7.057) 21.887 12.219 ( 3.677 -7.384 0.916) 8.300 13.214 ( 0.101 1.464 2.047) 2.519 13.226 ( 0.001 1.487 -1.296) 1.972 13.821 ( -1.826 4.743 -1.099) 5.199 13.869 ( -6.883 12.491 0.653) 14.277 14.464 ( -0.598 0.416 1.096) 1.315 14.681 ( -1.577 -5.783 1.206) 6.115 14.883 ( 1.146 2.656 -2.601) 3.890 15.038 ( 0.478 2.364 4.551) 5.151 ======================= Grid point 10 (8/56) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( -0.000 8.539 -0.000) 8.539 0.825 ( -0.000 0.068 0.000) 0.068 0.897 ( -0.000 -0.233 -0.000) 0.233 0.925 ( 0.000 4.141 0.000) 4.141 0.945 ( 0.000 1.491 -0.000) 1.491 0.996 ( -0.000 -0.049 -0.000) 0.049 0.998 ( 0.000 2.695 0.000) 2.695 1.149 ( -0.000 1.526 0.000) 1.526 1.237 ( -0.000 5.554 0.000) 5.554 1.270 ( 0.000 -1.759 0.000) 1.759 1.297 ( 0.000 -0.094 -0.000) 0.094 1.384 ( -0.000 2.240 -0.000) 2.240 1.434 ( -0.000 4.742 -0.000) 4.742 1.463 ( 0.000 0.187 -0.000) 0.187 1.487 ( -0.000 -0.188 0.000) 0.188 1.506 ( 0.000 -0.110 -0.000) 0.110 1.590 ( -0.000 -1.066 0.000) 1.066 1.613 ( -0.000 2.711 -0.000) 2.711 1.624 ( 0.000 2.604 0.000) 2.604 1.663 ( 0.000 -4.502 -0.000) 4.502 1.727 ( -0.000 -1.155 -0.000) 1.155 1.744 ( 0.000 0.327 0.000) 0.327 1.808 ( 0.000 -3.801 0.000) 3.801 1.855 ( -0.000 -1.600 0.000) 1.600 1.872 ( -0.000 -0.967 0.000) 0.967 1.888 ( 0.000 -2.721 -0.000) 2.721 1.933 ( 0.000 1.110 -0.000) 1.110 1.951 ( -0.000 2.875 -0.000) 2.875 2.018 ( -0.000 0.389 0.000) 0.389 2.029 ( 0.000 -0.188 0.000) 0.188 2.142 ( -0.000 1.743 0.000) 1.743 2.170 ( -0.000 1.183 0.000) 1.183 2.177 ( 0.000 0.621 -0.000) 0.621 2.306 ( 0.000 1.753 0.000) 1.753 2.350 ( -0.000 0.374 -0.000) 0.374 2.412 ( 0.000 -1.673 -0.000) 1.673 2.463 ( -0.000 -1.291 0.000) 1.291 2.479 ( 0.000 -1.466 -0.000) 1.466 2.539 ( 0.000 -3.358 -0.000) 3.358 2.632 ( 0.000 -3.194 -0.000) 3.194 2.743 ( 0.000 1.394 -0.000) 1.394 2.748 ( -0.000 1.088 -0.000) 1.088 2.749 ( 0.000 -3.829 0.000) 3.829 2.853 ( 0.000 0.913 0.000) 0.913 2.976 ( 0.000 -1.092 -0.000) 1.092 3.000 ( -0.000 -2.858 0.000) 2.858 3.466 ( 0.000 -0.953 0.000) 0.953 3.496 ( -0.000 -1.599 -0.000) 1.599 3.530 ( 0.000 -1.647 0.000) 1.647 3.619 ( 0.000 0.026 -0.000) 0.026 3.671 ( 0.000 -8.625 -0.000) 8.625 3.692 ( 0.000 -4.402 0.000) 4.402 3.900 ( 0.000 -2.742 0.000) 2.742 3.920 ( -0.000 0.946 -0.000) 0.946 4.003 ( 0.000 5.507 0.000) 5.507 4.075 ( -0.000 -0.698 0.000) 0.698 4.227 ( 0.000 -1.695 -0.000) 1.695 4.348 ( -0.000 -1.455 0.000) 1.455 4.507 ( 0.000 11.111 -0.000) 11.111 4.562 ( 0.000 1.593 0.000) 1.593 5.281 ( 0.000 -3.121 0.000) 3.121 5.400 ( 0.000 -11.900 0.000) 11.900 5.452 ( 0.000 -7.367 0.000) 7.367 5.656 ( 0.000 0.360 0.000) 0.360 6.094 ( 0.000 7.983 -0.000) 7.983 6.330 ( 0.000 14.854 0.000) 14.854 6.651 ( 0.000 -1.428 -0.000) 1.428 6.865 ( 0.000 9.748 0.000) 9.748 10.101 ( 0.000 -1.815 -0.000) 1.815 10.115 ( 0.000 -1.038 0.000) 1.038 10.428 ( 0.000 1.204 0.000) 1.204 10.462 ( -0.000 -0.593 -0.000) 0.593 11.361 ( 0.000 -0.918 -0.000) 0.918 11.884 ( 0.000 3.124 0.000) 3.124 11.976 ( -0.000 -18.458 0.000) 18.458 12.257 ( -0.000 -7.315 0.000) 7.315 13.214 ( -0.000 2.135 -0.000) 2.135 13.229 ( 0.000 0.368 0.000) 0.368 13.777 ( 0.000 13.477 -0.000) 13.477 13.827 ( 0.000 -0.144 0.000) 0.144 14.459 ( 0.000 0.581 -0.000) 0.581 14.664 ( 0.000 -5.650 0.000) 5.650 14.894 ( 0.000 3.291 -0.000) 3.291 15.047 ( 0.000 1.931 0.000) 1.931 ======================= Grid point 14 (9/56) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.426 ( 0.000 12.304 0.000) 12.304 0.547 ( 0.000 12.442 0.000) 12.442 0.917 ( 0.000 17.623 0.000) 17.623 1.038 ( 0.000 -0.087 0.000) 0.087 1.082 ( 0.000 1.203 0.000) 1.203 1.114 ( 0.000 -3.598 0.000) 3.598 1.120 ( 0.000 -1.200 0.000) 1.200 1.222 ( 0.000 5.640 0.000) 5.640 1.234 ( 0.000 1.655 0.000) 1.655 1.238 ( 0.000 -0.234 0.000) 0.234 1.272 ( 0.000 2.797 0.000) 2.797 1.329 ( 0.000 0.361 0.000) 0.361 1.363 ( 0.000 0.429 0.000) 0.429 1.381 ( 0.000 -0.234 0.000) 0.234 1.441 ( 0.000 6.375 0.000) 6.375 1.492 ( 0.000 -1.474 0.000) 1.474 1.533 ( 0.000 -0.013 0.000) 0.013 1.546 ( 0.000 0.064 0.000) 0.064 1.604 ( 0.000 3.111 0.000) 3.111 1.670 ( 0.000 -2.329 0.000) 2.329 1.719 ( 0.000 1.599 0.000) 1.599 1.768 ( 0.000 -4.151 0.000) 4.151 1.803 ( 0.000 -8.130 0.000) 8.130 1.860 ( 0.000 2.702 0.000) 2.702 1.932 ( 0.000 -2.863 0.000) 2.863 1.942 ( 0.000 1.447 0.000) 1.447 1.957 ( 0.000 -2.466 0.000) 2.466 2.001 ( 0.000 5.362 0.000) 5.362 2.062 ( 0.000 -3.960 0.000) 3.960 2.102 ( 0.000 -0.932 0.000) 0.932 2.178 ( 0.000 -6.563 0.000) 6.563 2.231 ( 0.000 -2.055 0.000) 2.055 2.258 ( 0.000 -3.048 0.000) 3.048 2.308 ( 0.000 1.131 0.000) 1.131 2.349 ( 0.000 -2.951 0.000) 2.951 2.406 ( 0.000 3.855 0.000) 3.855 2.485 ( 0.000 0.306 0.000) 0.306 2.501 ( 0.000 0.041 0.000) 0.041 2.545 ( 0.000 2.553 0.000) 2.553 2.582 ( 0.000 2.075 0.000) 2.075 2.721 ( 0.000 0.323 0.000) 0.323 2.749 ( 0.000 -1.135 0.000) 1.135 2.751 ( 0.000 -1.430 0.000) 1.430 2.903 ( 0.000 -0.405 0.000) 0.405 2.917 ( 0.000 1.790 0.000) 1.790 3.016 ( 0.000 -3.491 0.000) 3.491 3.398 ( 0.000 -2.165 0.000) 2.165 3.422 ( 0.000 -3.064 0.000) 3.064 3.468 ( 0.000 2.952 0.000) 2.952 3.622 ( 0.000 -2.177 0.000) 2.177 3.721 ( 0.000 -4.623 0.000) 4.623 3.765 ( 0.000 -6.966 0.000) 6.966 4.114 ( 0.000 3.021 0.000) 3.021 4.148 ( 0.000 0.327 0.000) 0.327 4.207 ( 0.000 3.628 0.000) 3.628 4.288 ( 0.000 1.653 0.000) 1.653 4.399 ( 0.000 -1.773 0.000) 1.773 4.556 ( 0.000 -9.088 0.000) 9.088 4.714 ( 0.000 12.265 0.000) 12.265 4.714 ( 0.000 2.730 0.000) 2.730 5.034 ( 0.000 0.862 0.000) 0.862 5.132 ( 0.000 1.094 0.000) 1.094 5.340 ( 0.000 -3.408 0.000) 3.408 5.609 ( 0.000 -10.386 0.000) 10.386 5.797 ( 0.000 11.878 0.000) 11.878 6.280 ( 0.000 0.056 0.000) 0.056 6.506 ( 0.000 14.537 0.000) 14.537 7.222 ( 0.000 -8.422 0.000) 8.422 10.034 ( 0.000 -1.488 0.000) 1.488 10.051 ( 0.000 -2.606 0.000) 2.606 10.152 ( 0.000 -1.068 0.000) 1.068 10.217 ( 0.000 -1.785 0.000) 1.785 11.186 ( 0.000 1.935 0.000) 1.935 11.579 ( 0.000 -10.020 0.000) 10.020 11.882 ( 0.000 3.056 0.000) 3.056 12.002 ( 0.000 -0.618 0.000) 0.618 13.246 ( 0.000 2.625 0.000) 2.625 13.302 ( 0.000 2.348 0.000) 2.348 13.952 ( 0.000 6.816 0.000) 6.816 14.482 ( 0.000 0.342 0.000) 0.342 14.517 ( 0.000 -10.046 0.000) 10.046 14.573 ( 0.000 -2.132 0.000) 2.132 14.932 ( 0.000 3.318 0.000) 3.318 14.983 ( 0.000 1.474 0.000) 1.474 ======================= Grid point 15 (10/56) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.478 ( 5.462 10.044 -0.596) 11.448 0.616 ( 6.572 10.598 1.458) 12.555 0.903 ( -5.622 4.294 3.725) 7.995 0.991 ( 0.901 7.270 0.101) 7.326 1.086 ( -1.114 -0.250 0.203) 1.159 1.100 ( 4.181 1.267 0.403) 4.388 1.191 ( -1.219 -2.561 -2.024) 3.485 1.211 ( -1.798 4.945 -3.240) 6.180 1.235 ( 2.167 3.604 -4.048) 5.837 1.256 ( 0.434 -0.444 -0.323) 0.700 1.299 ( 3.966 2.160 -1.301) 4.700 1.338 ( -1.528 0.954 0.595) 1.897 1.361 ( 2.982 2.858 2.001) 4.589 1.401 ( 2.606 -0.633 0.178) 2.687 1.443 ( -0.268 4.046 3.074) 5.088 1.485 ( -2.345 2.312 0.754) 3.378 1.528 ( 0.431 -0.971 -0.248) 1.090 1.587 ( 2.276 2.297 2.128) 3.870 1.625 ( 2.613 0.910 -0.301) 2.783 1.683 ( 1.375 -1.812 0.027) 2.275 1.702 ( -2.523 -2.541 -1.646) 3.941 1.744 ( 0.848 -0.030 0.336) 0.913 1.791 ( -1.378 -6.342 -0.717) 6.529 1.827 ( -2.304 -1.197 1.303) 2.905 1.885 ( -1.747 0.956 -1.936) 2.778 1.930 ( -1.244 -2.552 0.584) 2.898 1.968 ( -4.438 1.288 3.661) 5.896 2.002 ( -0.550 -1.310 0.832) 1.647 2.073 ( 1.064 -4.219 -1.170) 4.506 2.104 ( 0.246 -0.417 -1.983) 2.041 2.162 ( -1.081 -2.639 1.768) 3.355 2.183 ( -0.128 -0.124 0.033) 0.181 2.276 ( 1.965 -0.766 -1.091) 2.375 2.326 ( -2.110 1.826 -2.823) 3.969 2.376 ( 2.257 -6.549 1.023) 7.002 2.417 ( 1.613 1.897 -2.981) 3.884 2.464 ( -2.342 0.924 -0.839) 2.654 2.509 ( -0.942 -0.232 -1.863) 2.101 2.556 ( -0.002 3.857 2.263) 4.472 2.589 ( 2.389 -0.009 1.061) 2.614 2.621 ( -6.409 1.054 1.365) 6.637 2.731 ( -0.546 -0.802 -1.592) 1.864 2.811 ( 1.092 -1.647 0.743) 2.111 2.843 ( -2.958 -0.573 1.083) 3.202 2.922 ( -0.017 0.092 2.612) 2.613 2.994 ( -1.323 -1.069 -1.702) 2.406 3.420 ( 1.314 -1.466 1.541) 2.500 3.434 ( 1.135 -1.374 -2.263) 2.881 3.483 ( 1.458 -0.682 2.717) 3.158 3.606 ( -1.471 -2.280 -0.410) 2.744 3.670 ( -4.332 -3.167 -0.667) 5.407 3.738 ( -2.420 -4.976 0.108) 5.534 4.055 ( -4.053 0.477 -0.958) 4.192 4.093 ( -8.109 4.399 -2.839) 9.652 4.132 ( -3.754 -0.658 1.164) 3.985 4.229 ( -9.521 0.510 0.389) 9.542 4.359 ( 2.124 -0.609 5.663) 6.078 4.511 ( -3.169 0.264 3.378) 4.640 4.604 ( -3.145 -0.598 -1.260) 3.441 4.834 ( -7.393 -1.080 2.077) 7.755 5.089 ( 4.981 0.751 -1.104) 5.157 5.126 ( 9.292 2.168 -1.047) 9.599 5.255 ( -5.781 -1.345 -7.830) 9.826 5.640 ( 2.499 -8.330 0.165) 8.698 5.973 ( 12.293 9.923 2.305) 15.966 6.393 ( 7.972 0.152 -0.466) 7.987 6.528 ( 2.484 13.958 4.086) 14.755 7.142 ( -5.697 -2.928 -3.317) 7.213 10.023 ( 0.350 -1.096 0.001) 1.151 10.047 ( 0.646 -1.795 -0.670) 2.022 10.236 ( 6.459 -1.179 0.694) 6.602 10.346 ( 8.112 -4.204 -3.964) 9.960 11.246 ( 5.020 -2.721 2.653) 6.296 11.538 ( -2.954 -10.136 2.221) 10.788 11.898 ( 1.643 3.589 0.197) 3.952 12.056 ( 4.184 -1.966 -0.384) 4.639 13.242 ( -0.267 2.253 -0.255) 2.283 13.290 ( -1.043 2.184 0.332) 2.443 13.926 ( -2.256 5.929 -0.460) 6.360 14.325 ( -12.754 0.111 -6.371) 14.257 14.481 ( -0.280 0.580 1.395) 1.536 14.596 ( -0.609 -4.880 4.632) 6.756 14.911 ( 0.211 3.112 -1.163) 3.329 15.037 ( 2.223 0.314 3.465) 4.129 ======================= Grid point 16 (11/56) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.636 ( 8.636 6.726 1.983) 11.124 0.780 ( 5.616 5.687 -2.541) 8.386 0.838 ( 2.930 5.111 5.059) 7.765 0.966 ( -3.009 2.979 0.293) 4.245 1.067 ( -3.403 1.055 4.154) 5.473 1.103 ( -3.701 4.332 -4.107) 7.024 1.175 ( -0.511 -1.795 -2.309) 2.969 1.192 ( -0.443 3.182 -3.595) 4.821 1.252 ( 0.963 -0.364 1.994) 2.244 1.266 ( 2.942 2.569 -4.299) 5.808 1.316 ( -6.628 3.619 -2.906) 8.092 1.365 ( 5.415 -1.580 0.057) 5.641 1.397 ( 2.592 2.609 0.056) 3.678 1.447 ( -0.206 0.881 1.717) 1.941 1.481 ( 5.945 0.615 -0.928) 6.049 1.501 ( 4.049 3.089 3.847) 6.383 1.552 ( 0.828 0.780 1.984) 2.287 1.575 ( -1.286 1.183 -0.647) 1.863 1.672 ( -1.514 1.300 -1.293) 2.378 1.701 ( -1.988 -2.806 0.518) 3.477 1.726 ( 1.878 -0.267 0.602) 1.990 1.739 ( -3.704 -5.712 3.031) 7.452 1.762 ( 3.894 -0.290 0.891) 4.006 1.794 ( 0.549 -3.973 0.380) 4.028 1.857 ( -4.692 0.203 2.436) 5.291 1.874 ( 0.251 1.237 1.114) 1.683 1.934 ( 2.571 0.767 0.629) 2.756 1.977 ( -3.076 0.640 -2.912) 4.283 2.046 ( -0.173 -1.716 -0.544) 1.808 2.082 ( -1.828 -2.155 -0.665) 2.903 2.190 ( -0.877 -0.312 0.057) 0.932 2.209 ( 1.737 0.905 -0.371) 1.994 2.274 ( -1.303 -1.279 -0.009) 1.826 2.292 ( -5.864 2.705 -1.985) 6.756 2.329 ( 1.317 1.682 -3.047) 3.721 2.408 ( -1.808 -3.133 0.246) 3.626 2.448 ( -1.298 0.660 -1.118) 1.836 2.479 ( -1.791 -0.877 1.464) 2.474 2.504 ( -3.888 -3.480 0.125) 5.219 2.560 ( 2.465 0.506 -2.488) 3.539 2.659 ( 0.934 -1.079 2.869) 3.204 2.721 ( 0.904 -1.956 -4.015) 4.556 2.778 ( -0.274 0.901 2.752) 2.909 2.871 ( 1.040 -0.827 2.260) 2.621 2.928 ( 0.481 -0.963 2.219) 2.466 2.962 ( -1.669 -1.618 -0.881) 2.486 3.438 ( 0.407 0.264 1.410) 1.491 3.455 ( 0.112 -3.545 -0.154) 3.550 3.512 ( 0.952 -2.649 0.660) 2.891 3.562 ( -4.652 -2.647 0.163) 5.355 3.587 ( -0.179 -3.894 -2.381) 4.568 3.675 ( -3.519 -1.254 -0.933) 3.851 3.926 ( -4.275 1.432 -0.634) 4.552 3.994 ( -3.393 1.098 -1.122) 3.738 4.044 ( -3.006 -1.842 -0.224) 3.532 4.101 ( -3.512 0.220 2.654) 4.408 4.329 ( -6.158 0.105 -2.320) 6.582 4.392 ( -5.807 2.161 -2.277) 6.601 4.599 ( 0.243 4.321 6.986) 8.218 4.679 ( -4.406 -5.087 6.769) 9.546 5.144 ( -2.058 -4.800 -6.945) 8.689 5.165 ( 2.452 -6.312 -5.261) 8.574 5.359 ( 8.953 4.818 2.567) 10.486 5.673 ( 0.316 -2.847 -0.379) 2.889 6.192 ( 7.681 9.377 1.272) 12.188 6.526 ( 5.993 4.663 -4.919) 9.047 6.613 ( 2.811 8.056 7.688) 11.485 7.040 ( -3.211 2.217 -2.555) 4.664 10.050 ( 1.678 -1.084 0.060) 1.998 10.073 ( 1.504 -1.439 -0.535) 2.149 10.366 ( 5.276 -1.106 1.278) 5.540 10.443 ( 2.168 -1.802 -3.909) 4.819 11.328 ( 1.388 -3.467 -0.779) 3.815 11.531 ( 2.287 -15.606 3.807) 16.226 11.939 ( 1.812 4.044 0.368) 4.447 12.135 ( 3.118 -3.072 -0.244) 4.384 13.239 ( 0.048 1.427 0.038) 1.428 13.268 ( -1.018 1.820 0.062) 2.086 13.875 ( -2.151 4.061 -0.300) 4.606 14.082 ( -8.894 5.494 -2.262) 10.696 14.476 ( -0.342 0.804 0.971) 1.306 14.578 ( -1.225 -4.314 1.582) 4.755 14.932 ( 1.538 2.631 -1.494) 3.394 15.068 ( 0.443 0.262 2.644) 2.694 ======================= Grid point 17 (12/56) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.751 ( 0.000 10.187 0.000) 10.187 0.820 ( -0.000 -0.217 -0.000) 0.217 0.913 ( 0.000 3.126 -0.000) 3.126 0.979 ( 0.000 1.895 0.000) 1.895 1.014 ( -0.000 4.267 -0.000) 4.267 1.058 ( 0.000 3.188 0.000) 3.188 1.075 ( 0.000 6.477 0.000) 6.477 1.207 ( 0.000 -3.075 -0.000) 3.075 1.208 ( -0.000 4.661 0.000) 4.661 1.299 ( 0.000 -1.202 -0.000) 1.202 1.309 ( -0.000 1.496 0.000) 1.496 1.418 ( -0.000 -0.642 0.000) 0.642 1.449 ( -0.000 2.197 0.000) 2.197 1.470 ( 0.000 -3.540 -0.000) 3.540 1.529 ( 0.000 0.237 0.000) 0.237 1.544 ( -0.000 2.465 -0.000) 2.465 1.560 ( -0.000 3.519 0.000) 3.519 1.562 ( -0.000 -4.838 -0.000) 4.838 1.654 ( -0.000 -1.802 -0.000) 1.802 1.663 ( 0.000 -1.492 -0.000) 1.492 1.687 ( -0.000 0.880 0.000) 0.880 1.739 ( 0.000 -0.953 0.000) 0.953 1.787 ( -0.000 0.916 -0.000) 0.916 1.830 ( -0.000 -1.752 0.000) 1.752 1.852 ( 0.000 0.494 -0.000) 0.494 1.861 ( -0.000 1.497 0.000) 1.497 1.939 ( 0.000 -0.122 -0.000) 0.122 1.998 ( 0.000 -1.895 -0.000) 1.895 2.027 ( -0.000 3.738 -0.000) 3.738 2.032 ( 0.000 0.695 0.000) 0.695 2.182 ( -0.000 0.748 -0.000) 0.748 2.193 ( 0.000 1.302 -0.000) 1.302 2.225 ( 0.000 2.658 0.000) 2.658 2.264 ( 0.000 -1.153 0.000) 1.153 2.344 ( -0.000 -1.972 -0.000) 1.972 2.401 ( 0.000 -3.644 -0.000) 3.644 2.419 ( -0.000 -0.009 0.000) 0.009 2.456 ( 0.000 -0.127 0.000) 0.127 2.465 ( 0.000 -3.232 0.000) 3.232 2.593 ( 0.000 -2.083 -0.000) 2.083 2.654 ( 0.000 -4.150 -0.000) 4.150 2.745 ( 0.000 -1.855 0.000) 1.855 2.787 ( -0.000 2.815 -0.000) 2.815 2.875 ( 0.000 0.432 0.000) 0.432 2.938 ( 0.000 -2.973 -0.000) 2.973 2.943 ( -0.000 -1.861 0.000) 1.861 3.439 ( 0.000 -1.693 0.000) 1.693 3.446 ( 0.000 -3.420 -0.000) 3.420 3.514 ( 0.000 0.166 -0.000) 0.166 3.524 ( -0.000 -4.505 0.000) 4.505 3.594 ( 0.000 -4.858 -0.000) 4.858 3.621 ( -0.000 -0.038 0.000) 0.038 3.918 ( 0.000 3.183 0.000) 3.183 3.921 ( -0.000 -0.924 -0.000) 0.924 4.017 ( 0.000 -4.583 -0.000) 4.583 4.095 ( 0.000 2.852 0.000) 2.852 4.211 ( -0.000 0.368 -0.000) 0.368 4.332 ( -0.000 -0.451 -0.000) 0.451 4.593 ( 0.000 1.603 0.000) 1.603 4.665 ( -0.000 4.557 -0.000) 4.557 5.117 ( 0.000 -8.635 0.000) 8.635 5.188 ( 0.000 -8.805 -0.000) 8.805 5.461 ( 0.000 4.784 -0.000) 4.784 5.667 ( 0.000 0.146 0.000) 0.146 6.273 ( 0.000 9.320 -0.000) 9.320 6.616 ( -0.000 -2.454 0.000) 2.454 6.623 ( 0.000 14.283 -0.000) 14.283 7.005 ( 0.000 3.686 0.000) 3.686 10.070 ( 0.000 -1.141 -0.000) 1.141 10.090 ( 0.000 -1.300 0.000) 1.300 10.435 ( 0.000 -1.789 0.000) 1.789 10.446 ( -0.000 0.255 -0.000) 0.255 11.332 ( 0.000 -2.042 -0.000) 2.042 11.574 ( -0.000 -18.293 0.000) 18.293 11.960 ( 0.000 4.245 -0.000) 4.245 12.169 ( 0.000 -3.326 -0.000) 3.326 13.242 ( -0.000 0.896 -0.000) 0.896 13.255 ( 0.000 1.693 0.000) 1.693 13.852 ( 0.000 2.993 0.000) 2.993 13.984 ( -0.000 6.432 -0.000) 6.432 14.473 ( 0.000 0.862 -0.000) 0.862 14.564 ( 0.000 -4.079 0.000) 4.079 14.950 ( 0.000 2.604 -0.000) 2.604 15.073 ( -0.000 0.323 0.000) 0.323 ======================= Grid point 21 (13/56) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( 0.000 12.555 0.000) 12.555 0.769 ( 0.000 10.364 0.000) 10.364 0.898 ( 0.000 -10.234 0.000) 10.234 0.953 ( 0.000 -8.484 0.000) 8.484 1.112 ( 0.000 1.565 0.000) 1.565 1.119 ( 0.000 1.483 0.000) 1.483 1.263 ( 0.000 2.560 0.000) 2.560 1.266 ( 0.000 1.719 0.000) 1.719 1.282 ( 0.000 9.188 0.000) 9.188 1.296 ( 0.000 0.629 0.000) 0.629 1.302 ( 0.000 0.304 0.000) 0.304 1.345 ( 0.000 1.996 0.000) 1.996 1.375 ( 0.000 0.128 0.000) 0.128 1.408 ( 0.000 -2.301 0.000) 2.301 1.432 ( 0.000 3.906 0.000) 3.906 1.507 ( 0.000 -0.026 0.000) 0.026 1.548 ( 0.000 -1.180 0.000) 1.180 1.566 ( 0.000 0.384 0.000) 0.384 1.624 ( 0.000 -2.385 0.000) 2.385 1.627 ( 0.000 -7.471 0.000) 7.471 1.684 ( 0.000 4.711 0.000) 4.711 1.738 ( 0.000 -0.741 0.000) 0.741 1.766 ( 0.000 5.146 0.000) 5.146 1.882 ( 0.000 -2.205 0.000) 2.205 1.902 ( 0.000 0.846 0.000) 0.846 1.923 ( 0.000 -1.114 0.000) 1.114 1.968 ( 0.000 3.248 0.000) 3.248 1.976 ( 0.000 -3.858 0.000) 3.858 1.995 ( 0.000 -8.163 0.000) 8.163 2.052 ( 0.000 -3.490 0.000) 3.490 2.167 ( 0.000 6.583 0.000) 6.583 2.191 ( 0.000 0.151 0.000) 0.151 2.206 ( 0.000 -2.154 0.000) 2.154 2.289 ( 0.000 -4.454 0.000) 4.454 2.374 ( 0.000 4.933 0.000) 4.933 2.466 ( 0.000 -3.353 0.000) 3.353 2.472 ( 0.000 2.543 0.000) 2.543 2.498 ( 0.000 -0.277 0.000) 0.277 2.591 ( 0.000 2.166 0.000) 2.166 2.619 ( 0.000 0.117 0.000) 0.117 2.724 ( 0.000 -0.549 0.000) 0.549 2.731 ( 0.000 -0.851 0.000) 0.851 2.743 ( 0.000 3.532 0.000) 3.532 2.843 ( 0.000 -5.332 0.000) 5.332 2.952 ( 0.000 1.423 0.000) 1.423 2.973 ( 0.000 -1.064 0.000) 1.064 3.365 ( 0.000 -0.904 0.000) 0.904 3.373 ( 0.000 -1.651 0.000) 1.651 3.527 ( 0.000 2.993 0.000) 2.993 3.583 ( 0.000 -2.451 0.000) 2.451 3.651 ( 0.000 -2.122 0.000) 2.122 3.655 ( 0.000 -3.052 0.000) 3.052 4.168 ( 0.000 1.279 0.000) 1.279 4.169 ( 0.000 1.966 0.000) 1.966 4.262 ( 0.000 1.506 0.000) 1.506 4.295 ( 0.000 -1.178 0.000) 1.178 4.357 ( 0.000 0.051 0.000) 0.051 4.409 ( 0.000 -5.330 0.000) 5.330 4.820 ( 0.000 5.544 0.000) 5.544 4.871 ( 0.000 1.613 0.000) 1.613 5.111 ( 0.000 6.755 0.000) 6.755 5.149 ( 0.000 0.949 0.000) 0.949 5.278 ( 0.000 -0.956 0.000) 0.956 5.402 ( 0.000 -10.643 0.000) 10.643 6.030 ( 0.000 11.246 0.000) 11.246 6.211 ( 0.000 -6.853 0.000) 6.853 6.784 ( 0.000 13.631 0.000) 13.631 7.028 ( 0.000 -11.363 0.000) 11.363 10.013 ( 0.000 -0.624 0.000) 0.624 10.015 ( 0.000 -0.989 0.000) 0.989 10.146 ( 0.000 0.643 0.000) 0.643 10.176 ( 0.000 -2.139 0.000) 2.139 11.256 ( 0.000 5.390 0.000) 5.390 11.394 ( 0.000 -8.583 0.000) 8.583 11.939 ( 0.000 2.610 0.000) 2.610 11.981 ( 0.000 -1.621 0.000) 1.621 13.296 ( 0.000 2.212 0.000) 2.212 13.322 ( 0.000 -0.291 0.000) 0.291 14.114 ( 0.000 9.595 0.000) 9.595 14.314 ( 0.000 -10.595 0.000) 10.595 14.499 ( 0.000 1.325 0.000) 1.325 14.532 ( 0.000 -2.007 0.000) 2.007 14.981 ( 0.000 1.658 0.000) 1.658 14.997 ( 0.000 -0.044 0.000) 0.044 ======================= Grid point 22 (14/56) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.685 ( 1.922 10.744 -0.583) 10.930 0.802 ( 3.146 7.020 2.037) 7.958 0.885 ( -1.108 -4.833 1.787) 5.270 0.964 ( 0.826 -6.030 1.925) 6.383 1.096 ( 0.771 0.281 -1.826) 2.002 1.109 ( -1.098 -0.221 -0.821) 1.389 1.243 ( -1.830 0.653 -1.599) 2.517 1.258 ( -0.280 1.626 0.935) 1.896 1.266 ( -0.554 4.387 -4.001) 5.964 1.324 ( -1.190 1.358 -5.003) 5.319 1.350 ( 4.633 1.650 1.571) 5.163 1.368 ( 2.906 2.613 -1.056) 4.048 1.384 ( -0.025 4.534 0.289) 4.543 1.409 ( 0.250 -0.555 -1.506) 1.625 1.463 ( 2.959 -1.714 1.001) 3.563 1.508 ( 0.939 0.141 2.023) 2.235 1.547 ( -0.587 -0.072 2.865) 2.925 1.597 ( 0.809 -5.612 0.610) 5.703 1.628 ( 1.106 0.645 0.771) 1.494 1.647 ( 1.160 -0.371 -0.538) 1.331 1.688 ( -1.619 0.344 -0.519) 1.735 1.727 ( 1.567 5.131 1.337) 5.529 1.743 ( -1.716 -0.898 0.419) 1.982 1.813 ( -3.645 -1.061 -0.496) 3.828 1.885 ( -2.529 -0.406 0.400) 2.593 1.925 ( -1.597 -0.008 0.193) 1.609 1.942 ( -2.479 0.076 3.289) 4.119 1.985 ( 1.102 -4.409 1.227) 4.707 2.037 ( 2.367 -0.179 2.471) 3.427 2.047 ( 2.581 -3.946 2.047) 5.140 2.116 ( -3.238 2.949 -1.776) 4.725 2.200 ( -0.719 -3.187 0.024) 3.267 2.256 ( 3.121 0.813 -1.128) 3.417 2.284 ( 1.038 -1.932 -2.175) 3.089 2.380 ( -1.363 3.470 -2.574) 4.530 2.432 ( 1.108 -0.883 -1.220) 1.870 2.475 ( -2.280 1.009 -0.548) 2.553 2.508 ( -1.141 -1.714 0.066) 2.060 2.586 ( -1.690 1.533 -2.705) 3.539 2.618 ( 0.932 0.268 0.390) 1.046 2.669 ( -4.427 3.544 -0.846) 5.734 2.708 ( -1.906 -0.422 0.174) 1.960 2.774 ( 1.568 -1.674 0.740) 2.410 2.800 ( -1.654 -3.435 1.032) 3.950 2.937 ( -1.148 1.526 2.278) 2.973 2.968 ( -0.891 -1.497 0.480) 1.807 3.394 ( 2.155 -0.617 0.220) 2.253 3.402 ( 2.628 -1.480 -1.023) 3.185 3.509 ( -1.812 2.503 0.224) 3.098 3.559 ( -2.133 -2.508 -1.048) 3.455 3.623 ( -2.710 -1.042 0.145) 2.907 3.645 ( -0.882 -3.460 0.235) 3.579 4.071 ( -7.347 1.362 -0.384) 7.482 4.109 ( -6.633 -2.072 -0.234) 6.953 4.177 ( -5.919 3.700 -1.193) 7.081 4.220 ( -7.193 -0.550 -0.137) 7.215 4.369 ( 1.347 0.854 4.964) 5.214 4.415 ( 2.382 -4.809 5.696) 7.826 4.703 ( -8.916 6.287 -2.198) 11.129 4.803 ( -9.959 -3.495 0.469) 10.565 5.111 ( -0.176 2.745 -4.195) 5.016 5.174 ( -1.219 -2.368 -3.536) 4.427 5.288 ( 7.363 8.051 -0.798) 10.939 5.469 ( 6.270 -9.332 0.637) 11.261 6.173 ( 10.567 9.872 2.160) 14.621 6.333 ( 8.926 -6.034 1.823) 10.928 6.795 ( 1.258 12.843 0.052) 12.904 7.014 ( -0.908 -9.373 -1.531) 9.540 10.011 ( 0.725 -0.124 -0.298) 0.794 10.019 ( 0.902 -0.982 -0.483) 1.418 10.229 ( 6.483 0.746 0.295) 6.533 10.269 ( 7.127 -3.297 -0.442) 7.866 11.257 ( 0.360 3.454 0.561) 3.517 11.366 ( -2.149 -7.468 0.241) 7.775 11.964 ( 2.229 3.062 0.272) 3.797 12.016 ( 2.968 -2.260 0.054) 3.731 13.285 ( -0.858 1.967 0.013) 2.146 13.309 ( -1.154 -0.250 0.288) 1.215 14.069 ( -3.894 8.434 -1.009) 9.344 14.234 ( -6.595 -7.745 -2.658) 10.513 14.499 ( -0.142 1.259 0.865) 1.534 14.531 ( -0.374 -2.158 1.295) 2.544 14.974 ( 0.223 3.077 0.099) 3.087 15.022 ( 1.378 -1.738 1.320) 2.581 ======================= Grid point 23 (15/56) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.758 ( 4.932 6.133 1.501) 8.012 0.847 ( 0.984 -1.015 1.219) 1.867 0.946 ( 6.237 4.625 3.386) 8.471 0.988 ( 0.786 -0.339 1.893) 2.078 1.083 ( -1.043 2.241 1.479) 2.880 1.138 ( 1.942 -2.292 -2.544) 3.937 1.200 ( -2.552 1.179 -1.934) 3.412 1.210 ( -1.595 3.412 -6.646) 7.639 1.267 ( 0.300 -2.134 2.919) 3.628 1.290 ( -0.575 -2.052 -4.397) 4.886 1.346 ( -1.737 5.682 -2.455) 6.429 1.395 ( -2.613 4.563 -4.345) 6.821 1.438 ( 3.545 0.505 -1.198) 3.776 1.451 ( -0.494 -0.080 -0.493) 0.702 1.477 ( -0.323 -1.907 -0.822) 2.101 1.505 ( 1.703 -3.032 1.507) 3.790 1.565 ( 0.227 0.312 5.003) 5.017 1.610 ( -0.371 -4.027 4.031) 5.710 1.629 ( -1.896 2.695 -1.423) 3.590 1.662 ( 1.916 0.297 2.687) 3.314 1.679 ( -3.104 -0.700 0.995) 3.334 1.705 ( 2.019 -4.126 2.536) 5.247 1.755 ( 3.943 2.209 0.133) 4.522 1.821 ( 0.036 -3.619 0.879) 3.724 1.830 ( -0.237 4.844 -0.068) 4.850 1.885 ( -2.214 -0.545 -0.241) 2.293 1.948 ( 2.377 1.157 0.837) 2.773 2.007 ( 1.135 -2.566 -0.256) 2.818 2.026 ( -3.108 1.386 0.140) 3.406 2.073 ( 0.207 2.195 0.970) 2.409 2.141 ( 4.165 -1.064 1.585) 4.582 2.209 ( 0.535 -2.354 2.473) 3.456 2.264 ( -2.323 1.333 -1.012) 2.863 2.315 ( 1.872 -4.181 -0.547) 4.613 2.345 ( -3.365 2.406 -4.117) 5.837 2.390 ( -2.603 1.044 -0.906) 2.947 2.431 ( -1.432 -1.219 -2.121) 2.835 2.460 ( -2.054 -1.091 0.591) 2.400 2.510 ( -5.054 4.410 1.251) 6.824 2.585 ( -4.123 -0.524 -2.387) 4.793 2.622 ( -0.677 -0.964 -0.777) 1.411 2.663 ( 0.548 -3.690 -4.248) 5.654 2.806 ( 2.435 1.716 2.160) 3.680 2.841 ( 2.224 -1.866 1.024) 3.078 2.917 ( -1.093 0.396 2.809) 3.040 2.937 ( -2.021 -1.268 1.213) 2.677 3.422 ( -0.422 0.044 -0.285) 0.511 3.450 ( -0.529 -2.685 0.416) 2.768 3.458 ( -0.570 1.714 -1.101) 2.116 3.509 ( -1.679 -3.386 -2.942) 4.790 3.566 ( -1.540 2.059 0.861) 2.712 3.626 ( -0.923 -3.415 0.548) 3.580 3.935 ( -4.837 1.246 -0.926) 5.080 3.984 ( -4.802 -3.386 -0.172) 5.878 4.062 ( -4.304 3.612 -0.101) 5.620 4.101 ( -2.877 -0.486 1.150) 3.136 4.339 ( -5.470 1.673 -0.335) 5.730 4.397 ( -7.095 -3.013 -1.349) 7.825 4.617 ( 2.096 0.984 9.009) 9.302 4.645 ( -2.222 -0.397 5.602) 6.040 5.085 ( -2.282 -1.368 -8.336) 8.750 5.092 ( -2.693 -1.667 -6.246) 7.003 5.479 ( 7.745 6.695 1.793) 10.393 5.597 ( 4.683 -5.071 0.859) 6.956 6.365 ( 6.707 7.996 1.252) 10.511 6.491 ( 5.463 -4.773 0.689) 7.286 6.836 ( 2.249 10.868 0.511) 11.110 7.001 ( -0.045 -5.695 -1.270) 5.835 10.040 ( 1.665 0.005 -0.297) 1.692 10.049 ( 1.660 -0.894 -0.362) 1.920 10.357 ( 5.048 0.584 0.384) 5.096 10.393 ( 4.155 -2.798 -0.754) 5.066 11.280 ( 1.493 -0.323 0.062) 1.529 11.333 ( -0.704 -5.837 0.674) 5.918 12.015 ( 2.174 3.610 0.265) 4.222 12.078 ( 2.590 -2.985 0.071) 3.952 13.268 ( -0.685 1.367 0.099) 1.532 13.284 ( -1.105 -0.111 0.229) 1.133 13.980 ( -3.871 6.215 -0.758) 7.361 14.088 ( -6.098 -3.811 -1.705) 7.390 14.495 ( -0.350 1.068 0.620) 1.283 14.521 ( -0.712 -1.799 0.634) 2.036 14.990 ( 1.033 3.205 -0.078) 3.368 15.047 ( 0.698 -2.271 1.179) 2.652 ======================= Grid point 24 (16/56) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( 0.000 2.046 -0.000) 2.046 0.868 ( -0.000 0.768 0.000) 0.768 0.986 ( -0.000 3.480 0.000) 3.480 1.015 ( 0.000 0.957 0.000) 0.957 1.092 ( -0.000 3.855 -0.000) 3.855 1.147 ( 0.000 3.587 0.000) 3.587 1.165 ( 0.000 1.194 -0.000) 1.194 1.209 ( 0.000 6.038 0.000) 6.038 1.262 ( 0.000 -1.197 -0.000) 1.197 1.267 ( 0.000 -0.868 0.000) 0.868 1.352 ( -0.000 -2.126 -0.000) 2.126 1.360 ( 0.000 1.414 -0.000) 1.414 1.368 ( -0.000 -4.745 0.000) 4.745 1.472 ( 0.000 -4.549 0.000) 4.549 1.504 ( -0.000 2.238 0.000) 2.238 1.535 ( 0.000 0.754 -0.000) 0.754 1.564 ( 0.000 -0.401 -0.000) 0.401 1.580 ( -0.000 -4.423 0.000) 4.423 1.609 ( 0.000 0.431 -0.000) 0.431 1.633 ( 0.000 0.659 0.000) 0.659 1.735 ( -0.000 1.934 -0.000) 1.934 1.755 ( 0.000 0.657 0.000) 0.657 1.776 ( -0.000 0.548 -0.000) 0.548 1.812 ( 0.000 -1.093 0.000) 1.093 1.861 ( 0.000 0.368 -0.000) 0.368 1.875 ( -0.000 -0.965 0.000) 0.965 1.967 ( 0.000 1.845 -0.000) 1.845 1.970 ( -0.000 -0.028 0.000) 0.028 2.039 ( -0.000 0.694 0.000) 0.694 2.073 ( 0.000 -0.806 -0.000) 0.806 2.183 ( -0.000 1.956 0.000) 1.956 2.219 ( 0.000 0.741 0.000) 0.741 2.224 ( 0.000 0.201 0.000) 0.201 2.268 ( -0.000 -5.163 -0.000) 5.163 2.345 ( -0.000 5.102 0.000) 5.102 2.367 ( 0.000 0.813 -0.000) 0.813 2.412 ( 0.000 -0.359 -0.000) 0.359 2.449 ( 0.000 -0.075 0.000) 0.075 2.467 ( 0.000 0.983 0.000) 0.983 2.499 ( -0.000 -5.215 -0.000) 5.215 2.627 ( 0.000 0.103 -0.000) 0.103 2.672 ( 0.000 -4.483 0.000) 4.483 2.839 ( 0.000 1.852 -0.000) 1.852 2.861 ( 0.000 -1.117 0.000) 1.117 2.905 ( -0.000 -0.161 -0.000) 0.161 2.919 ( 0.000 -0.949 0.000) 0.949 3.402 ( 0.000 -0.543 0.000) 0.543 3.412 ( 0.000 -1.043 0.000) 1.043 3.476 ( 0.000 -1.094 0.000) 1.094 3.487 ( -0.000 -2.418 -0.000) 2.418 3.570 ( 0.000 2.186 -0.000) 2.186 3.612 ( 0.000 -1.336 -0.000) 1.336 3.895 ( -0.000 -1.121 -0.000) 1.121 3.907 ( 0.000 -2.785 0.000) 2.785 4.030 ( -0.000 4.814 -0.000) 4.814 4.102 ( 0.000 -1.938 -0.000) 1.938 4.238 ( 0.000 2.381 0.000) 2.381 4.299 ( -0.000 -3.184 -0.000) 3.184 4.635 ( 0.000 2.856 0.000) 2.856 4.687 ( -0.000 -1.629 -0.000) 1.629 5.030 ( 0.000 -0.508 0.000) 0.508 5.067 ( 0.000 -3.889 -0.000) 3.889 5.565 ( 0.000 5.167 -0.000) 5.167 5.644 ( 0.000 -2.680 0.000) 2.680 6.435 ( 0.000 7.111 -0.000) 7.111 6.548 ( 0.000 -4.591 0.000) 4.591 6.864 ( 0.000 10.027 -0.000) 10.027 7.002 ( 0.000 -3.896 0.000) 3.896 10.059 ( 0.000 0.012 -0.000) 0.012 10.068 ( 0.000 -0.870 0.000) 0.870 10.413 ( 0.000 -0.081 0.000) 0.081 10.431 ( 0.000 -1.466 -0.000) 1.466 11.296 ( 0.000 -0.988 -0.000) 0.988 11.334 ( -0.000 -6.241 0.000) 6.241 12.039 ( 0.000 3.803 -0.000) 3.803 12.107 ( 0.000 -3.208 -0.000) 3.208 13.261 ( -0.000 0.964 -0.000) 0.964 13.272 ( 0.000 0.026 0.000) 0.026 13.936 ( 0.000 5.098 0.000) 5.098 14.018 ( 0.000 -2.290 -0.000) 2.290 14.491 ( 0.000 0.918 -0.000) 0.918 14.512 ( 0.000 -1.525 0.000) 1.525 15.003 ( 0.000 2.887 -0.000) 2.887 15.054 ( -0.000 -2.083 0.000) 2.083 ======================= Grid point 49 (17/56) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.290 ( 1.337 0.000 13.943) 14.007 0.324 ( -1.436 0.000 15.099) 15.167 0.576 ( 5.483 0.000 25.778) 26.354 0.883 ( -2.427 0.000 -9.944) 10.236 0.911 ( 5.696 0.000 -10.401) 11.858 1.019 ( -0.772 0.000 2.038) 2.179 1.084 ( -1.550 0.000 -0.339) 1.587 1.145 ( -1.137 0.000 -2.367) 2.626 1.224 ( -0.998 0.000 1.616) 1.900 1.260 ( -0.843 0.000 -2.085) 2.249 1.278 ( 0.104 0.000 3.515) 3.516 1.345 ( 1.542 0.000 1.861) 2.416 1.399 ( 4.090 0.000 3.726) 5.533 1.409 ( 1.480 0.000 1.985) 2.476 1.428 ( -3.136 0.000 -2.082) 3.764 1.458 ( -1.696 0.000 3.159) 3.586 1.528 ( -1.311 0.000 0.576) 1.432 1.573 ( 0.377 0.000 -2.212) 2.244 1.584 ( -2.121 0.000 3.913) 4.451 1.700 ( 0.911 0.000 2.671) 2.822 1.706 ( -1.603 0.000 -6.186) 6.390 1.785 ( -0.685 0.000 -12.278) 12.297 1.803 ( 2.315 0.000 0.550) 2.379 1.846 ( 0.136 0.000 -1.313) 1.320 1.856 ( 1.563 0.000 -1.657) 2.278 1.928 ( 0.123 0.000 -1.368) 1.373 1.986 ( -0.586 0.000 -2.801) 2.862 2.052 ( 2.094 0.000 -6.254) 6.595 2.067 ( -6.891 0.000 -1.894) 7.147 2.099 ( -1.860 0.000 -2.408) 3.043 2.209 ( 1.307 0.000 0.915) 1.596 2.246 ( -0.839 0.000 1.408) 1.639 2.267 ( 2.993 0.000 1.273) 3.252 2.299 ( 1.039 0.000 -2.667) 2.863 2.381 ( 3.182 0.000 -0.959) 3.323 2.423 ( 1.327 0.000 2.623) 2.940 2.546 ( -2.528 0.000 3.213) 4.088 2.554 ( -3.214 0.000 0.515) 3.255 2.613 ( 4.241 0.000 5.619) 7.040 2.615 ( -4.399 0.000 3.747) 5.779 2.732 ( 0.270 0.000 0.753) 0.800 2.794 ( 0.302 0.000 -1.418) 1.450 2.840 ( -0.181 0.000 -0.710) 0.732 2.841 ( -0.471 0.000 0.718) 0.859 2.889 ( 2.270 0.000 1.437) 2.687 2.990 ( -4.946 0.000 -1.592) 5.196 3.464 ( -0.163 0.000 1.794) 1.802 3.493 ( 2.696 0.000 6.446) 6.987 3.499 ( 0.927 0.000 -0.148) 0.939 3.695 ( -1.547 0.000 -1.593) 2.220 3.799 ( -0.586 0.000 2.354) 2.426 3.854 ( 2.985 0.000 -0.348) 3.005 3.985 ( -3.328 0.000 -2.545) 4.189 4.052 ( -1.169 0.000 -4.866) 5.004 4.222 ( 1.318 0.000 2.122) 2.498 4.238 ( -2.029 0.000 0.042) 2.030 4.498 ( -2.109 0.000 3.927) 4.457 4.733 ( -0.804 0.000 -6.453) 6.503 4.754 ( 17.527 0.000 2.923) 17.769 4.959 ( -3.665 0.000 -3.692) 5.202 4.989 ( 7.598 0.000 6.738) 10.155 5.287 ( -12.482 0.000 -4.877) 13.401 5.572 ( 9.303 0.000 1.863) 9.487 5.668 ( 0.825 0.000 5.461) 5.523 5.684 ( 11.477 0.000 -2.039) 11.656 5.926 ( -3.550 0.000 -4.629) 5.833 6.466 ( 5.482 0.000 1.403) 5.659 6.532 ( -21.589 0.000 -1.040) 21.614 10.069 ( -2.529 0.000 -0.581) 2.594 10.092 ( 4.298 0.000 -1.909) 4.703 10.222 ( -4.072 0.000 4.202) 5.851 10.400 ( -19.020 0.000 -2.843) 19.231 11.548 ( -3.425 0.000 2.965) 4.530 11.696 ( 30.417 0.000 -2.590) 30.527 11.822 ( -1.784 0.000 2.930) 3.430 11.977 ( 1.310 0.000 -2.772) 3.066 13.266 ( -0.585 0.000 5.383) 5.414 13.573 ( -0.188 0.000 -6.066) 6.069 13.824 ( 1.399 0.000 0.216) 1.416 13.875 ( -4.009 0.000 -1.261) 4.203 14.549 ( 1.487 0.000 5.359) 5.562 14.792 ( 7.903 0.000 -4.424) 9.057 14.831 ( -3.874 0.000 1.213) 4.060 14.880 ( 14.894 0.000 -0.256) 14.896 ======================= Grid point 50 (18/56) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.331 ( 6.902 0.000 8.542) 10.982 0.407 ( 6.598 0.000 11.671) 13.407 0.823 ( -8.404 0.000 -11.328) 14.105 0.860 ( 2.177 0.000 -8.844) 9.108 0.924 ( 17.015 0.000 17.061) 24.095 1.050 ( 3.974 0.000 1.031) 4.106 1.059 ( -4.973 0.000 1.841) 5.303 1.127 ( -4.177 0.000 5.582) 6.972 1.211 ( 8.050 0.000 -1.326) 8.158 1.213 ( -2.564 0.000 -0.485) 2.609 1.260 ( -7.014 0.000 -5.145) 8.699 1.326 ( -0.179 0.000 -3.492) 3.496 1.370 ( -2.458 0.000 1.140) 2.710 1.408 ( -4.577 0.000 5.098) 6.851 1.450 ( 1.239 0.000 2.323) 2.633 1.459 ( 2.805 0.000 6.385) 6.974 1.561 ( 0.437 0.000 0.130) 0.456 1.599 ( 6.100 0.000 -0.040) 6.100 1.616 ( 3.585 0.000 -3.486) 5.001 1.668 ( -1.414 0.000 -2.096) 2.528 1.712 ( 0.267 0.000 1.659) 1.680 1.795 ( 2.428 0.000 -12.881) 13.108 1.834 ( -0.467 0.000 1.253) 1.337 1.834 ( 0.918 0.000 -3.558) 3.675 1.900 ( 2.186 0.000 -4.222) 4.754 1.939 ( 0.355 0.000 3.068) 3.089 1.962 ( -1.253 0.000 -0.459) 1.335 1.972 ( -1.552 0.000 -4.002) 4.292 2.025 ( -1.955 0.000 -2.105) 2.873 2.055 ( -2.225 0.000 -3.278) 3.962 2.162 ( -5.031 0.000 1.542) 5.262 2.202 ( -1.206 0.000 0.606) 1.350 2.317 ( -3.264 0.000 4.179) 5.303 2.356 ( 0.728 0.000 -2.050) 2.176 2.403 ( 1.207 0.000 -1.259) 1.744 2.406 ( -1.350 0.000 -2.706) 3.024 2.467 ( -4.851 0.000 -0.460) 4.873 2.472 ( -1.911 0.000 4.415) 4.811 2.567 ( -3.077 0.000 1.735) 3.532 2.682 ( -0.597 0.000 -0.149) 0.615 2.728 ( 3.505 0.000 6.600) 7.473 2.771 ( -0.018 0.000 -1.570) 1.570 2.849 ( -6.087 0.000 3.192) 6.873 2.854 ( 1.568 0.000 -0.879) 1.798 2.913 ( 3.976 0.000 1.548) 4.266 2.965 ( 3.462 0.000 2.219) 4.112 3.483 ( 1.210 0.000 0.787) 1.443 3.544 ( 2.885 0.000 0.904) 3.024 3.599 ( 5.134 0.000 6.258) 8.094 3.665 ( -0.407 0.000 -2.512) 2.544 3.748 ( -4.844 0.000 -0.769) 4.904 3.796 ( -6.677 0.000 3.165) 7.389 3.965 ( 0.337 0.000 -3.951) 3.966 3.991 ( -2.760 0.000 -0.807) 2.876 4.127 ( -6.838 0.000 0.555) 6.861 4.146 ( -6.388 0.000 1.141) 6.489 4.438 ( -4.909 0.000 5.921) 7.691 4.565 ( -11.649 0.000 -4.367) 12.440 4.715 ( -8.721 0.000 6.766) 11.038 4.887 ( -12.208 0.000 -11.120) 16.513 5.153 ( 8.109 0.000 -2.162) 8.392 5.162 ( 7.591 0.000 7.414) 10.611 5.606 ( -0.303 0.000 1.820) 1.845 5.795 ( -7.961 0.000 -4.542) 9.166 5.854 ( 9.148 0.000 3.714) 9.873 6.060 ( 11.367 0.000 -12.806) 17.123 6.345 ( 5.707 0.000 0.997) 5.793 6.629 ( 7.759 0.000 4.576) 9.008 9.961 ( -1.418 0.000 -3.258) 3.553 10.074 ( -1.752 0.000 -2.617) 3.149 10.334 ( 9.439 0.000 7.262) 11.910 10.422 ( 5.911 0.000 4.913) 7.686 11.444 ( -5.506 0.000 -0.889) 5.577 11.795 ( 0.090 0.000 -0.500) 0.508 12.031 ( 3.560 0.000 -2.009) 4.088 12.105 ( 10.911 0.000 -16.453) 19.742 13.262 ( -0.703 0.000 5.612) 5.656 13.556 ( -0.398 0.000 -5.816) 5.829 13.639 ( -12.493 0.000 10.201) 16.129 13.836 ( -0.384 0.000 -0.046) 0.387 14.538 ( -3.103 0.000 2.762) 4.154 14.735 ( -3.275 0.000 -5.818) 6.676 14.805 ( 1.485 0.000 1.085) 1.839 15.123 ( 1.913 0.000 -2.245) 2.950 ======================= Grid point 51 (19/56) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.532 ( 1.319 0.000 7.001) 7.124 0.583 ( 14.645 0.000 -0.904) 14.672 0.681 ( -0.856 0.000 -8.173) 8.217 0.911 ( 3.842 0.000 -9.522) 10.268 0.952 ( -4.546 0.000 2.765) 5.321 1.012 ( -7.964 0.000 -4.684) 9.239 1.088 ( -0.499 0.000 3.543) 3.578 1.161 ( 2.809 0.000 -2.409) 3.701 1.195 ( 1.779 0.000 0.098) 1.782 1.225 ( -7.949 0.000 4.549) 9.159 1.301 ( 1.630 0.000 -2.036) 2.608 1.325 ( 1.319 0.000 1.114) 1.727 1.338 ( 7.942 0.000 8.145) 11.376 1.376 ( 1.745 0.000 -2.843) 3.336 1.493 ( 3.263 0.000 5.258) 6.188 1.522 ( 1.247 0.000 1.657) 2.074 1.594 ( -3.422 0.000 0.852) 3.526 1.615 ( 3.110 0.000 5.450) 6.275 1.683 ( 3.482 0.000 -4.204) 5.459 1.699 ( 1.256 0.000 -0.875) 1.530 1.728 ( -2.914 0.000 -3.450) 4.516 1.783 ( 6.048 0.000 0.032) 6.048 1.825 ( -0.748 0.000 -3.253) 3.337 1.872 ( -4.408 0.000 -2.191) 4.922 1.900 ( 0.410 0.000 -0.535) 0.675 1.947 ( -1.332 0.000 3.298) 3.557 1.952 ( 0.916 0.000 -2.405) 2.574 1.962 ( -2.219 0.000 -1.753) 2.828 1.968 ( 1.919 0.000 1.171) 2.248 2.033 ( 0.740 0.000 -3.322) 3.403 2.124 ( 1.223 0.000 0.599) 1.362 2.148 ( -4.609 0.000 -3.168) 5.593 2.204 ( -3.590 0.000 2.522) 4.387 2.243 ( -7.128 0.000 4.641) 8.506 2.384 ( -2.176 0.000 -1.234) 2.502 2.387 ( 0.248 0.000 -4.088) 4.095 2.460 ( -5.053 0.000 0.458) 5.074 2.472 ( 3.276 0.000 -1.161) 3.476 2.534 ( 2.990 0.000 -2.365) 3.812 2.700 ( -0.575 0.000 1.891) 1.977 2.726 ( -1.971 0.000 0.539) 2.043 2.770 ( -0.658 0.000 3.094) 3.163 2.781 ( -0.434 0.000 -2.342) 2.382 2.910 ( 1.994 0.000 2.310) 3.052 2.985 ( 2.418 0.000 1.789) 3.008 3.014 ( 1.051 0.000 1.307) 1.677 3.502 ( 0.409 0.000 1.352) 1.413 3.569 ( -1.208 0.000 -0.736) 1.414 3.621 ( -5.030 0.000 2.606) 5.665 3.625 ( -3.635 0.000 -1.838) 4.073 3.713 ( 3.622 0.000 -0.312) 3.636 3.729 ( 0.775 0.000 2.989) 3.088 3.958 ( 0.363 0.000 1.094) 1.153 3.971 ( -0.367 0.000 3.694) 3.712 4.027 ( -2.280 0.000 -2.207) 3.173 4.044 ( -2.866 0.000 0.877) 2.997 4.317 ( -5.998 0.000 0.094) 5.998 4.330 ( -8.994 0.000 -3.171) 9.537 4.588 ( -6.131 0.000 8.370) 10.376 4.597 ( -10.724 0.000 -7.173) 12.902 5.307 ( 4.595 0.000 6.607) 8.048 5.378 ( 10.698 0.000 -3.297) 11.195 5.606 ( -0.137 0.000 0.724) 0.736 5.659 ( -3.885 0.000 -3.510) 5.235 5.992 ( 3.875 0.000 2.021) 4.370 6.128 ( 0.393 0.000 -3.512) 3.533 6.537 ( 9.353 0.000 -4.412) 10.342 6.734 ( 1.255 0.000 2.710) 2.987 9.970 ( 1.985 0.000 -5.595) 5.937 10.062 ( 0.507 0.000 -4.075) 4.107 10.515 ( 5.413 0.000 10.004) 11.375 10.527 ( 3.547 0.000 8.014) 8.764 11.371 ( -0.824 0.000 -0.822) 1.164 11.807 ( 0.922 0.000 -3.040) 3.177 12.090 ( 2.232 0.000 -2.025) 3.014 12.195 ( 2.063 0.000 -14.885) 15.028 13.257 ( -0.674 0.000 6.013) 6.051 13.468 ( -6.399 0.000 11.535) 13.191 13.543 ( 0.166 0.000 -5.068) 5.071 13.812 ( -1.430 0.000 -3.070) 3.387 14.481 ( -2.023 0.000 0.804) 2.177 14.677 ( -1.298 0.000 -5.930) 6.070 14.856 ( 2.345 0.000 3.473) 4.190 15.101 ( -2.488 0.000 0.902) 2.647 ======================= Grid point 52 (20/56) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.505 ( -2.269 0.000 2.707) 3.532 0.725 ( 3.189 0.000 -4.645) 5.634 0.755 ( -9.850 0.000 -12.024) 15.544 0.894 ( 9.760 0.000 0.718) 9.786 0.922 ( 1.276 0.000 3.470) 3.697 0.990 ( 5.073 0.000 -7.268) 8.864 1.049 ( -8.279 0.000 6.390) 10.458 1.115 ( 1.332 0.000 0.121) 1.338 1.161 ( -1.941 0.000 -1.370) 2.376 1.225 ( 0.433 0.000 -1.562) 1.621 1.322 ( -1.010 0.000 -2.227) 2.445 1.363 ( 5.260 0.000 -2.166) 5.689 1.408 ( 1.787 0.000 0.646) 1.900 1.440 ( -1.862 0.000 3.116) 3.630 1.474 ( -1.581 0.000 -0.044) 1.581 1.526 ( -0.782 0.000 1.622) 1.801 1.591 ( -6.302 0.000 4.462) 7.722 1.641 ( -1.231 0.000 -1.729) 2.123 1.668 ( 0.354 0.000 0.240) 0.427 1.680 ( 3.149 0.000 2.529) 4.039 1.749 ( -5.757 0.000 -1.650) 5.988 1.812 ( -0.207 0.000 0.113) 0.236 1.820 ( 4.282 0.000 4.824) 6.450 1.857 ( -1.658 0.000 -0.375) 1.699 1.870 ( -0.546 0.000 -4.387) 4.420 1.908 ( -3.977 0.000 0.669) 4.033 1.956 ( 1.837 0.000 2.853) 3.393 1.983 ( -0.159 0.000 5.256) 5.259 1.995 ( 6.493 0.000 0.475) 6.510 2.060 ( 2.036 0.000 1.874) 2.767 2.129 ( 0.120 0.000 -2.146) 2.150 2.132 ( 3.267 0.000 -3.932) 5.112 2.184 ( 0.737 0.000 -0.124) 0.747 2.232 ( 2.994 0.000 0.918) 3.131 2.339 ( -5.209 0.000 0.394) 5.223 2.390 ( 0.588 0.000 -5.020) 5.054 2.392 ( 3.230 0.000 -2.992) 4.403 2.500 ( -1.024 0.000 -1.281) 1.640 2.584 ( 1.455 0.000 0.886) 1.704 2.665 ( -1.166 0.000 0.061) 1.168 2.671 ( -3.120 0.000 -3.698) 4.838 2.756 ( -0.877 0.000 -3.010) 3.135 2.813 ( 2.393 0.000 4.776) 5.342 2.890 ( -4.061 0.000 2.070) 4.558 3.015 ( 0.267 0.000 2.108) 2.125 3.025 ( -0.122 0.000 -0.135) 0.181 3.504 ( 0.001 0.000 -0.062) 0.062 3.528 ( -0.188 0.000 -1.186) 1.201 3.534 ( -3.287 0.000 4.019) 5.192 3.632 ( 2.572 0.000 0.129) 2.576 3.747 ( 0.338 0.000 0.733) 0.807 3.768 ( 1.235 0.000 0.507) 1.335 3.930 ( -3.641 0.000 2.145) 4.226 3.939 ( -0.906 0.000 0.512) 1.041 4.017 ( -0.856 0.000 0.892) 1.237 4.058 ( 3.374 0.000 0.190) 3.379 4.234 ( 0.536 0.000 -3.046) 3.093 4.239 ( -1.070 0.000 -3.994) 4.135 4.472 ( -5.594 0.000 5.535) 7.869 4.555 ( 8.080 0.000 0.753) 8.115 5.348 ( -2.020 0.000 5.185) 5.564 5.521 ( 3.281 0.000 -1.935) 3.809 5.594 ( -1.375 0.000 -0.355) 1.420 5.621 ( 0.146 0.000 -2.786) 2.790 6.021 ( -1.267 0.000 0.990) 1.608 6.114 ( -0.871 0.000 -2.043) 2.221 6.682 ( 5.307 0.000 -0.818) 5.369 6.697 ( -4.467 0.000 -1.095) 4.599 9.999 ( 1.415 0.000 -5.216) 5.405 10.056 ( -0.694 0.000 -4.954) 5.002 10.571 ( -1.113 0.000 8.241) 8.316 10.615 ( 3.977 0.000 10.839) 11.546 11.401 ( 2.830 0.000 3.276) 4.329 11.802 ( -1.082 0.000 -7.058) 7.141 12.107 ( -0.327 0.000 -2.265) 2.289 12.164 ( -2.558 0.000 -13.886) 14.120 13.258 ( -0.256 0.000 6.500) 6.506 13.397 ( -2.726 0.000 11.120) 11.449 13.547 ( 1.009 0.000 -4.432) 4.545 13.780 ( -0.732 0.000 -5.271) 5.322 14.460 ( -0.429 0.000 1.444) 1.507 14.659 ( 0.281 0.000 -6.265) 6.271 14.902 ( 1.353 0.000 4.853) 5.038 15.042 ( -3.298 0.000 0.265) 3.308 ======================= Grid point 53 (21/56) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.445 ( -4.891 0.000 5.410) 7.293 0.469 ( -14.349 0.000 -9.272) 17.084 0.757 ( 0.149 0.000 -5.836) 5.838 0.954 ( -4.205 0.000 -2.040) 4.673 0.970 ( 2.352 0.000 2.977) 3.794 0.989 ( 4.048 0.000 2.361) 4.686 1.121 ( -1.955 0.000 -3.199) 3.749 1.142 ( 1.316 0.000 -1.262) 1.824 1.158 ( 7.306 0.000 -1.195) 7.403 1.196 ( -5.814 0.000 3.509) 6.791 1.256 ( -6.265 0.000 2.751) 6.843 1.296 ( -0.867 0.000 -3.316) 3.428 1.352 ( -3.424 0.000 3.258) 4.726 1.452 ( 0.799 0.000 4.508) 4.579 1.509 ( -0.581 0.000 1.249) 1.378 1.551 ( 0.859 0.000 1.878) 2.065 1.577 ( 3.729 0.000 -5.202) 6.401 1.599 ( -1.267 0.000 -1.074) 1.661 1.671 ( 2.718 0.000 -5.762) 6.371 1.677 ( -1.273 0.000 5.049) 5.207 1.714 ( -0.076 0.000 2.738) 2.739 1.764 ( -7.019 0.000 1.669) 7.214 1.809 ( -1.138 0.000 -0.666) 1.319 1.818 ( 0.760 0.000 -1.961) 2.104 1.868 ( -1.130 0.000 -0.340) 1.180 1.885 ( 2.868 0.000 -0.735) 2.961 2.033 ( 4.912 0.000 4.625) 6.747 2.042 ( -6.568 0.000 -3.359) 7.377 2.079 ( 3.372 0.000 -0.093) 3.373 2.107 ( 3.988 0.000 -2.556) 4.737 2.146 ( 3.537 0.000 -1.230) 3.745 2.175 ( 2.851 0.000 -3.640) 4.624 2.207 ( 1.235 0.000 -0.961) 1.564 2.278 ( 2.015 0.000 -2.074) 2.892 2.298 ( -0.379 0.000 5.814) 5.827 2.414 ( -6.400 0.000 -2.467) 6.859 2.427 ( 4.126 0.000 -2.520) 4.835 2.475 ( 4.084 0.000 -1.281) 4.280 2.606 ( -1.428 0.000 -1.954) 2.421 2.614 ( 2.053 0.000 1.948) 2.830 2.671 ( 0.994 0.000 2.182) 2.397 2.768 ( 2.242 0.000 -2.306) 3.216 2.793 ( -4.517 0.000 0.678) 4.567 2.855 ( 0.638 0.000 5.541) 5.578 3.000 ( -2.351 0.000 -0.141) 2.355 3.009 ( -1.127 0.000 3.455) 3.634 3.471 ( -2.505 0.000 1.856) 3.118 3.536 ( -0.490 0.000 -0.769) 0.912 3.561 ( 4.803 0.000 0.351) 4.816 3.681 ( -5.747 0.000 1.595) 5.964 3.692 ( 2.563 0.000 0.000) 2.563 3.778 ( 0.651 0.000 1.524) 1.657 3.901 ( 1.846 0.000 1.060) 2.129 4.030 ( 2.501 0.000 -0.318) 2.522 4.042 ( 9.410 0.000 4.763) 10.547 4.091 ( 0.234 0.000 0.933) 0.962 4.213 ( -1.957 0.000 -5.740) 6.064 4.360 ( 11.309 0.000 -1.280) 11.381 4.435 ( 1.832 0.000 0.913) 2.047 4.823 ( 15.280 0.000 0.865) 15.304 5.239 ( -8.859 0.000 2.660) 9.250 5.497 ( -6.104 0.000 1.737) 6.347 5.546 ( -2.375 0.000 -1.207) 2.664 5.636 ( 1.527 0.000 -2.782) 3.174 5.943 ( -6.506 0.000 0.526) 6.527 6.087 ( -1.779 0.000 -1.747) 2.494 6.573 ( -6.527 0.000 -3.994) 7.652 6.762 ( 2.785 0.000 2.140) 3.512 10.007 ( 0.377 0.000 -4.235) 4.252 10.022 ( -1.279 0.000 -4.751) 4.920 10.512 ( -5.734 0.000 6.254) 8.484 10.751 ( 7.981 0.000 14.138) 16.235 11.474 ( 3.345 0.000 5.781) 6.679 11.701 ( -8.275 0.000 -20.192) 21.822 12.043 ( -6.964 0.000 -9.168) 11.513 12.071 ( -2.668 0.000 -2.519) 3.669 13.266 ( -0.175 0.000 6.118) 6.121 13.405 ( 2.238 0.000 14.697) 14.867 13.565 ( 1.343 0.000 -4.504) 4.700 13.770 ( 0.648 0.000 -4.870) 4.913 14.465 ( 0.665 0.000 2.278) 2.373 14.651 ( -0.378 0.000 -7.748) 7.757 14.925 ( -0.169 0.000 5.704) 5.706 14.971 ( -3.510 0.000 -0.065) 3.510 ======================= Grid point 54 (22/56) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.220 ( -4.236 0.000 7.314) 8.452 0.330 ( -6.283 0.000 9.757) 11.605 0.744 ( -15.407 0.000 15.557) 21.895 0.784 ( 4.967 0.000 -6.333) 8.048 0.988 ( -6.328 0.000 -7.726) 9.987 1.062 ( -4.421 0.000 2.741) 5.202 1.064 ( 3.893 0.000 -0.448) 3.919 1.108 ( 6.836 0.000 -4.053) 7.947 1.195 ( 4.137 0.000 4.928) 6.434 1.235 ( 3.411 0.000 -2.675) 4.335 1.246 ( -3.349 0.000 -2.998) 4.495 1.315 ( -0.715 0.000 2.531) 2.630 1.337 ( 4.888 0.000 -0.723) 4.941 1.428 ( -2.425 0.000 1.082) 2.655 1.506 ( -3.625 0.000 -0.396) 3.647 1.512 ( -2.615 0.000 8.592) 8.981 1.589 ( -0.880 0.000 -1.114) 1.419 1.591 ( -1.594 0.000 1.546) 2.221 1.604 ( -4.567 0.000 -1.120) 4.702 1.676 ( 0.178 0.000 5.279) 5.282 1.710 ( 1.415 0.000 -0.877) 1.665 1.760 ( 1.601 0.000 1.621) 2.279 1.815 ( -0.813 0.000 -1.927) 2.092 1.864 ( 0.016 0.000 -6.750) 6.750 1.875 ( 1.642 0.000 -4.517) 4.806 1.919 ( 1.701 0.000 -9.259) 9.414 1.938 ( 2.998 0.000 -3.430) 4.556 2.027 ( -3.779 0.000 -3.437) 5.108 2.131 ( 3.938 0.000 1.978) 4.407 2.143 ( -0.438 0.000 -3.006) 3.038 2.211 ( 2.384 0.000 2.129) 3.196 2.227 ( 0.163 0.000 -2.438) 2.444 2.233 ( -4.469 0.000 -2.461) 5.102 2.308 ( 1.618 0.000 3.142) 3.534 2.311 ( 1.335 0.000 -2.456) 2.796 2.331 ( 4.892 0.000 2.990) 5.733 2.528 ( 4.324 0.000 -0.643) 4.371 2.543 ( 2.641 0.000 0.987) 2.820 2.599 ( -1.024 0.000 3.864) 3.997 2.657 ( 1.458 0.000 0.420) 1.517 2.696 ( 0.154 0.000 6.448) 6.450 2.749 ( 1.322 0.000 -2.152) 2.526 2.818 ( 2.373 0.000 -0.457) 2.416 2.865 ( -0.003 0.000 2.171) 2.171 2.931 ( -4.090 0.000 -0.286) 4.100 2.996 ( -0.010 0.000 5.299) 5.299 3.441 ( -0.345 0.000 3.460) 3.477 3.507 ( -1.351 0.000 -0.751) 1.546 3.551 ( -5.252 0.000 2.949) 6.023 3.717 ( -0.038 0.000 -0.787) 0.788 3.721 ( 8.242 0.000 -0.465) 8.255 3.791 ( 0.233 0.000 3.561) 3.569 4.013 ( 6.347 0.000 -3.858) 7.428 4.059 ( -2.848 0.000 -1.667) 3.300 4.111 ( 5.601 0.000 1.688) 5.850 4.192 ( 2.686 0.000 -2.260) 3.511 4.289 ( 12.732 0.000 13.399) 18.483 4.491 ( 2.477 0.000 -0.693) 2.572 4.615 ( 11.475 0.000 -2.446) 11.732 5.036 ( -9.415 0.000 1.593) 9.549 5.065 ( 3.182 0.000 -6.269) 7.030 5.379 ( 0.251 0.000 8.600) 8.604 5.474 ( -5.188 0.000 -1.605) 5.431 5.658 ( 0.439 0.000 -3.062) 3.094 5.776 ( -8.702 0.000 0.181) 8.704 6.017 ( -4.622 0.000 -2.331) 5.176 6.452 ( -3.532 0.000 -3.221) 4.780 6.794 ( -1.580 0.000 -1.477) 2.163 10.015 ( 1.947 0.000 -3.384) 3.904 10.019 ( 2.013 0.000 -1.965) 2.813 10.369 ( -8.563 0.000 4.896) 9.864 11.007 ( 9.237 0.000 0.518) 9.252 11.289 ( -23.155 0.000 -21.422) 31.544 11.547 ( 2.231 0.000 5.701) 6.122 11.898 ( -5.638 0.000 2.075) 6.008 12.003 ( -2.878 0.000 -2.985) 4.147 13.268 ( -0.533 0.000 5.395) 5.421 13.579 ( 0.683 0.000 -5.421) 5.464 13.599 ( 15.645 0.000 19.262) 24.815 13.790 ( 1.779 0.000 -2.294) 2.903 14.498 ( 2.032 0.000 3.665) 4.190 14.608 ( -1.594 0.000 -5.418) 5.648 14.903 ( -3.065 0.000 -0.634) 3.130 14.904 ( -2.905 0.000 4.869) 5.670 ======================= Grid point 55 (23/56) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( -1.642 5.888 12.507) 13.921 0.429 ( -0.204 10.427 9.961) 14.422 0.720 ( 4.376 12.569 17.171) 21.725 0.931 ( 0.028 3.884 -10.863) 11.537 0.939 ( 3.674 3.935 -7.023) 8.849 1.030 ( -0.580 1.010 1.226) 1.691 1.108 ( -2.518 2.043 -2.594) 4.153 1.173 ( -0.816 0.913 -2.668) 2.936 1.222 ( 0.840 -0.428 0.997) 1.372 1.262 ( -1.967 -0.708 -0.893) 2.274 1.278 ( 0.903 1.573 4.053) 4.440 1.316 ( -2.015 -1.251 0.188) 2.380 1.392 ( -1.349 1.894 3.371) 4.095 1.428 ( 1.730 -0.145 4.383) 4.714 1.453 ( 2.357 1.856 3.265) 4.434 1.464 ( 0.722 -0.475 2.366) 2.519 1.509 ( 0.046 -0.602 -0.267) 0.660 1.595 ( -2.386 1.479 3.378) 4.393 1.620 ( -0.013 3.268 -5.033) 6.001 1.680 ( 0.097 -1.943 2.652) 3.289 1.713 ( 1.585 -1.277 -3.865) 4.368 1.746 ( -2.313 -1.131 -0.964) 2.749 1.802 ( 0.044 1.728 -5.584) 5.845 1.838 ( -0.949 -3.374 -1.739) 3.913 1.861 ( -0.667 -0.225 -8.117) 8.147 1.925 ( 1.726 0.021 -3.566) 3.962 1.961 ( 0.133 -0.680 -1.179) 1.367 2.045 ( 1.452 -0.155 -0.388) 1.511 2.051 ( -1.901 -1.019 -3.679) 4.264 2.097 ( -3.826 -1.277 -1.342) 4.251 2.159 ( 1.302 -4.012 0.845) 4.301 2.230 ( -0.088 -2.220 -0.683) 2.324 2.250 ( 2.592 -0.009 0.287) 2.608 2.330 ( 0.670 1.073 -1.376) 1.869 2.379 ( 1.191 0.600 0.036) 1.334 2.421 ( -0.525 -0.637 1.064) 1.347 2.501 ( -1.905 -2.695 1.294) 3.545 2.566 ( -0.954 -2.070 -0.152) 2.284 2.598 ( -2.032 -1.522 4.822) 5.450 2.617 ( 2.275 1.398 6.222) 6.771 2.736 ( 2.105 0.638 2.162) 3.084 2.767 ( 0.695 -0.584 -0.655) 1.120 2.841 ( -4.505 -1.532 3.030) 5.641 2.872 ( 1.327 1.669 0.090) 2.135 2.901 ( 3.464 1.563 0.503) 3.833 2.979 ( -3.922 -0.837 -5.176) 6.547 3.436 ( 0.445 -2.220 0.617) 2.347 3.454 ( 0.407 -2.284 0.772) 2.445 3.527 ( 2.903 1.292 5.567) 6.410 3.687 ( 0.511 -2.842 -0.346) 2.908 3.748 ( -1.876 -1.728 -0.635) 2.628 3.854 ( 0.979 -3.245 -2.316) 4.105 4.023 ( -3.295 3.867 -0.819) 5.146 4.098 ( -0.937 3.501 -3.530) 5.059 4.222 ( 0.329 -0.343 2.540) 2.584 4.310 ( -0.137 4.986 -0.566) 5.020 4.469 ( 2.413 -0.933 6.911) 7.379 4.600 ( 7.540 -5.108 2.239) 9.378 4.707 ( 3.339 -3.564 1.920) 5.247 4.890 ( 2.097 -7.988 1.650) 8.422 5.043 ( -0.621 1.399 2.791) 3.183 5.203 ( -3.642 -7.125 9.769) 12.628 5.313 ( -9.999 -1.633 -4.072) 10.920 5.580 ( 2.545 0.389 -3.537) 4.375 5.828 ( 1.978 -3.743 2.079) 4.717 6.048 ( 3.127 11.089 -7.451) 13.721 6.427 ( 2.933 6.444 9.470) 11.824 6.960 ( -7.042 14.452 -20.279) 25.878 10.038 ( -2.395 -2.150 -0.665) 3.286 10.072 ( 3.084 -1.917 -2.133) 4.212 10.204 ( -2.156 -1.651 3.717) 4.603 10.340 ( -8.819 -4.459 0.675) 9.905 11.359 ( 6.430 -8.206 10.978) 15.140 11.689 ( 8.215 -5.085 -5.369) 11.053 11.852 ( -1.313 2.189 2.270) 3.416 11.981 ( -0.199 0.200 -2.418) 2.435 13.282 ( -0.336 1.225 5.269) 5.420 13.369 ( -0.747 -4.056 7.315) 8.398 13.827 ( 0.435 2.294 -1.189) 2.620 14.185 ( -5.243 8.862 -19.899) 22.405 14.546 ( 1.490 -0.211 5.281) 5.491 14.755 ( 3.633 -3.365 -2.123) 5.388 14.872 ( -4.600 3.361 1.097) 5.802 14.926 ( 12.364 3.370 -0.947) 12.850 ======================= Grid point 56 (24/56) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.383 ( 4.970 5.559 8.329) 11.179 0.513 ( 5.394 9.167 8.645) 13.706 0.838 ( -5.961 1.804 -9.110) 11.035 0.919 ( -0.014 5.565 -8.862) 10.464 0.966 ( 7.706 3.710 10.601) 13.621 1.060 ( 3.258 1.059 -0.364) 3.445 1.117 ( 1.518 4.356 3.468) 5.771 1.151 ( -2.823 1.500 3.504) 4.743 1.184 ( -0.230 -1.153 -1.651) 2.026 1.241 ( 1.614 1.219 0.303) 2.045 1.271 ( -0.709 1.686 -1.354) 2.276 1.320 ( -0.938 1.657 -0.964) 2.134 1.387 ( 1.042 -0.100 1.505) 1.833 1.405 ( -4.010 -1.478 4.959) 6.546 1.480 ( 0.944 1.603 1.562) 2.429 1.507 ( -2.800 5.597 1.657) 6.474 1.518 ( 1.603 -1.139 1.624) 2.550 1.582 ( 5.193 -1.358 2.464) 5.906 1.637 ( -0.804 0.593 -3.947) 4.071 1.687 ( 1.495 1.305 -2.780) 3.416 1.697 ( 1.483 -1.097 1.586) 2.433 1.783 ( -0.681 -3.259 1.035) 3.486 1.788 ( 1.200 -1.257 -5.251) 5.531 1.822 ( 1.889 -3.560 -2.990) 5.018 1.852 ( 1.267 -1.304 -6.795) 7.034 1.939 ( 0.148 -0.120 -7.538) 7.541 1.958 ( -0.595 1.047 0.759) 1.423 2.005 ( -1.308 1.843 0.525) 2.320 2.036 ( -0.908 0.393 -2.168) 2.383 2.071 ( -1.978 1.025 -0.103) 2.230 2.152 ( -0.570 -1.078 2.469) 2.754 2.182 ( -2.771 -1.810 -0.297) 3.323 2.298 ( -1.391 -2.224 -0.717) 2.719 2.346 ( 0.717 -0.967 -0.186) 1.217 2.382 ( -3.785 -0.703 -2.201) 4.434 2.412 ( 2.361 -0.320 0.746) 2.496 2.453 ( -2.165 -1.441 2.902) 3.897 2.477 ( -4.352 0.443 -1.697) 4.692 2.573 ( -3.657 0.035 1.360) 3.902 2.672 ( 0.126 -1.478 0.921) 1.746 2.708 ( 1.618 -1.891 5.146) 5.716 2.778 ( -2.403 0.492 1.651) 2.956 2.840 ( -2.812 -0.256 0.283) 2.838 2.873 ( 2.165 -0.354 0.671) 2.294 2.899 ( 1.697 1.166 -0.283) 2.078 2.982 ( 2.693 0.653 1.542) 3.171 3.464 ( 1.808 -1.948 0.857) 2.793 3.493 ( 3.054 -4.101 0.197) 5.117 3.594 ( 1.684 -0.649 4.833) 5.159 3.665 ( -1.648 -0.701 -2.034) 2.710 3.684 ( -3.871 -3.929 0.910) 5.590 3.800 ( -5.746 -2.947 -0.836) 6.512 3.947 ( -3.915 4.016 -1.057) 5.707 4.048 ( -2.088 1.328 -0.377) 2.503 4.162 ( -6.659 0.133 0.235) 6.664 4.192 ( -6.677 5.323 1.435) 8.659 4.422 ( -5.982 0.151 2.585) 6.519 4.514 ( -7.677 -3.674 -2.517) 8.875 4.738 ( -5.291 1.731 6.824) 8.807 4.920 ( -9.846 1.897 -7.072) 12.270 5.142 ( 1.610 -1.163 0.694) 2.104 5.158 ( 9.929 -0.056 3.176) 10.425 5.262 ( 8.688 -21.033 6.971) 23.800 5.716 ( 0.361 -5.742 -4.953) 7.592 5.872 ( 8.227 5.005 1.906) 9.817 6.161 ( 5.479 6.892 -6.431) 10.903 6.540 ( 5.876 9.399 6.864) 13.038 6.813 ( -1.911 13.094 -10.654) 16.989 9.965 ( -0.958 0.417 -3.042) 3.216 10.058 ( -1.071 -1.502 -2.285) 2.936 10.316 ( 8.871 -1.914 5.563) 10.645 10.404 ( 6.392 -1.944 3.744) 7.659 11.394 ( -2.204 -4.509 0.601) 5.055 11.768 ( 0.241 -7.200 -4.854) 8.687 11.925 ( 6.292 -6.574 1.111) 9.167 12.037 ( 5.242 -1.231 -4.429) 6.972 13.284 ( -0.409 1.214 5.532) 5.678 13.356 ( -1.437 -3.548 6.874) 7.867 13.810 ( -1.869 2.250 -1.763) 3.415 13.974 ( -9.670 10.944 -9.410) 17.373 14.543 ( -2.505 0.472 3.450) 4.289 14.706 ( -3.526 -2.677 -3.840) 5.860 14.831 ( 1.119 2.473 0.294) 2.730 15.118 ( 2.985 -0.638 -0.477) 3.090 ======================= Grid point 57 (25/56) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( 6.571 3.863 3.871) 8.549 0.620 ( 5.123 4.035 -1.754) 6.753 0.743 ( 2.120 6.020 -4.557) 7.843 0.930 ( -0.125 2.149 -6.015) 6.389 0.945 ( -3.162 1.307 -0.070) 3.422 1.085 ( -6.161 4.227 -2.281) 7.812 1.100 ( -1.190 1.293 2.241) 2.848 1.172 ( 4.803 0.696 -2.677) 5.543 1.193 ( -4.760 0.045 1.701) 5.055 1.228 ( -0.766 -0.553 1.085) 1.439 1.303 ( 3.871 0.449 2.790) 4.793 1.340 ( -1.313 1.905 -0.156) 2.319 1.383 ( 3.922 2.538 0.196) 4.676 1.411 ( 3.623 4.567 1.771) 6.092 1.503 ( 0.782 -0.318 2.982) 3.099 1.519 ( 2.178 0.520 1.926) 2.954 1.561 ( 1.088 -2.536 2.572) 3.773 1.590 ( -0.048 -0.518 0.618) 0.808 1.666 ( 1.222 -0.517 0.480) 1.411 1.707 ( -1.670 -1.584 -3.729) 4.382 1.754 ( 2.336 -1.481 -2.174) 3.518 1.788 ( 0.751 1.776 0.590) 2.016 1.794 ( 2.661 -0.234 0.091) 2.673 1.848 ( 2.273 -2.543 -2.030) 3.969 1.890 ( -0.763 -1.132 0.154) 1.374 1.919 ( -1.248 -1.003 0.118) 1.605 1.954 ( -2.837 0.885 1.622) 3.386 1.975 ( -1.323 1.534 -0.714) 2.148 1.978 ( 1.276 -0.783 -2.403) 2.831 2.051 ( -0.193 0.960 -0.745) 1.230 2.140 ( -0.947 1.561 -0.967) 2.066 2.167 ( -2.715 1.390 -2.413) 3.889 2.207 ( -3.165 0.355 2.849) 4.273 2.251 ( -3.476 0.883 0.899) 3.697 2.361 ( -2.116 -1.013 -3.595) 4.293 2.381 ( 0.327 -2.056 -0.674) 2.188 2.453 ( -3.029 -0.277 -0.827) 3.152 2.472 ( -0.882 -0.368 0.068) 0.958 2.508 ( 3.474 -2.344 -1.357) 4.405 2.690 ( -0.600 -1.179 -0.438) 1.394 2.698 ( -2.735 -3.589 1.673) 4.812 2.753 ( -0.740 -0.380 2.705) 2.830 2.790 ( -0.182 0.462 -0.547) 0.739 2.912 ( 1.074 0.208 -0.279) 1.129 2.960 ( 2.213 -1.733 2.417) 3.707 3.016 ( 0.275 -0.533 1.801) 1.898 3.496 ( 0.784 -0.563 1.636) 1.899 3.539 ( -1.314 -3.535 -0.524) 3.807 3.587 ( -2.295 -2.189 1.711) 3.603 3.614 ( -0.070 -3.122 -0.652) 3.190 3.649 ( -1.463 -4.368 -0.479) 4.631 3.689 ( -2.206 -3.781 0.332) 4.390 3.893 ( 0.114 0.439 1.826) 1.881 3.999 ( -3.792 0.021 1.056) 3.937 4.050 ( -2.944 0.935 -0.301) 3.104 4.102 ( -2.689 4.046 1.996) 5.252 4.263 ( -7.575 -2.098 -2.721) 8.317 4.375 ( -3.967 0.488 -0.841) 4.085 4.625 ( -6.397 3.821 4.597) 8.755 4.679 ( -10.165 6.582 -3.168) 12.517 5.258 ( 6.937 -5.901 0.340) 9.113 5.319 ( 5.277 -5.933 5.688) 9.768 5.434 ( 5.518 -9.975 1.555) 11.505 5.654 ( -2.896 -0.550 -3.576) 4.634 6.044 ( 5.785 6.146 0.946) 8.493 6.238 ( 3.327 8.778 -4.576) 10.443 6.657 ( 4.418 7.328 0.961) 8.610 6.801 ( 0.103 6.687 -3.173) 7.403 9.977 ( 1.901 0.681 -4.650) 5.070 10.056 ( 0.871 -0.506 -3.498) 3.640 10.489 ( 5.335 -2.601 8.094) 10.037 10.514 ( 3.784 -1.513 6.564) 7.726 11.354 ( -0.413 -1.642 -1.030) 1.981 11.771 ( 0.691 -6.753 -7.190) 9.888 12.002 ( 1.353 -6.762 1.339) 7.025 12.131 ( 3.916 -2.606 -6.480) 8.007 13.282 ( -0.736 1.836 5.980) 6.298 13.344 ( -0.817 -2.976 7.030) 7.677 13.748 ( -3.228 7.825 -4.585) 9.626 13.820 ( -3.942 3.244 -4.759) 6.980 14.493 ( -2.025 1.154 1.212) 2.627 14.642 ( -1.951 -2.943 -3.938) 5.289 14.883 ( 2.834 2.215 2.387) 4.317 15.115 ( -2.091 0.881 0.983) 2.472 ======================= Grid point 58 (26/56) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -1.254 6.205 0.320) 6.338 0.747 ( -7.693 -0.228 -10.576) 13.080 0.768 ( 3.435 3.938 -2.669) 5.868 0.898 ( 3.030 1.091 0.089) 3.221 0.959 ( 4.132 3.066 1.305) 5.308 1.029 ( 1.244 4.268 0.837) 4.524 1.069 ( -3.686 1.328 2.253) 4.519 1.107 ( 1.559 0.591 -1.162) 2.033 1.210 ( -0.972 3.489 -1.576) 3.950 1.262 ( 0.225 1.537 -0.381) 1.599 1.317 ( -1.273 0.846 -1.316) 2.016 1.367 ( 5.607 0.012 -4.167) 6.986 1.410 ( 1.321 0.897 0.041) 1.597 1.469 ( -4.165 2.129 2.186) 5.163 1.495 ( 0.239 1.753 1.589) 2.378 1.514 ( 0.285 -0.056 1.822) 1.845 1.586 ( -3.027 -1.530 0.906) 3.510 1.632 ( -4.122 -1.035 -0.077) 4.250 1.659 ( -1.626 -0.378 1.210) 2.061 1.682 ( 4.501 -0.206 1.921) 4.899 1.727 ( -1.981 -1.688 -4.098) 4.855 1.776 ( -0.010 -3.394 3.610) 4.955 1.814 ( -2.118 0.502 3.449) 4.079 1.859 ( -1.644 -0.435 1.041) 1.994 1.869 ( 1.164 -0.601 -2.342) 2.683 1.907 ( -1.213 -0.796 -0.003) 1.451 1.941 ( -0.899 -0.296 1.294) 1.603 1.980 ( -0.587 0.169 3.682) 3.733 2.025 ( 1.872 -1.236 -0.876) 2.408 2.041 ( 5.567 1.426 1.276) 5.887 2.124 ( 1.425 2.618 -0.464) 3.016 2.158 ( 2.586 1.326 -1.497) 3.269 2.185 ( -0.107 0.601 -0.224) 0.650 2.285 ( 2.955 2.601 -2.612) 4.724 2.325 ( -2.474 -1.855 0.565) 3.143 2.381 ( 1.973 -0.699 -2.310) 3.117 2.397 ( 0.868 -0.145 -2.455) 2.608 2.489 ( -0.416 -0.581 -1.269) 1.457 2.551 ( 0.397 -3.165 1.088) 3.370 2.618 ( -3.567 -2.705 -0.913) 4.569 2.681 ( -0.195 -0.363 -3.657) 3.680 2.728 ( -0.778 -2.098 -1.885) 2.926 2.814 ( 1.336 0.238 4.055) 4.276 2.898 ( -3.080 0.037 1.350) 3.363 2.987 ( 0.589 -2.333 1.238) 2.706 3.009 ( -0.852 -1.765 0.987) 2.194 3.495 ( -0.248 -1.101 0.096) 1.133 3.512 ( -0.272 -1.891 1.353) 2.341 3.522 ( -2.643 -0.920 1.834) 3.346 3.624 ( 2.443 -0.923 0.049) 2.612 3.667 ( -0.048 -8.342 -0.190) 8.344 3.680 ( 0.164 -4.362 -1.018) 4.482 3.908 ( -1.830 -0.687 1.780) 2.644 3.969 ( 2.835 -0.700 2.911) 4.124 4.006 ( -1.426 2.979 -0.259) 3.313 4.061 ( -0.098 -0.992 -1.187) 1.551 4.224 ( 4.239 1.517 0.554) 4.537 4.340 ( -0.594 2.593 -1.944) 3.295 4.500 ( -6.713 4.236 0.884) 7.987 4.572 ( 2.748 0.939 0.014) 2.904 5.346 ( 0.622 -1.758 4.215) 4.609 5.421 ( 3.791 -8.346 3.463) 9.799 5.453 ( -4.074 -7.553 -0.679) 8.608 5.633 ( 1.711 0.389 -2.259) 2.860 6.095 ( -0.936 7.502 0.732) 7.595 6.273 ( 0.424 11.766 -4.942) 12.769 6.674 ( -4.009 1.356 2.094) 4.722 6.822 ( 3.545 8.403 -3.659) 9.827 10.004 ( 1.139 0.551 -4.286) 4.468 10.058 ( -0.382 0.159 -4.380) 4.400 10.533 ( -1.397 -3.001 7.597) 8.287 10.607 ( 3.845 -1.732 8.541) 9.525 11.382 ( 2.505 -1.742 2.260) 3.797 11.741 ( -2.794 -9.063 -12.338) 15.562 11.995 ( -2.059 -4.720 1.906) 5.491 12.165 ( 0.426 -1.132 -5.953) 6.075 13.278 ( -0.603 1.763 6.411) 6.676 13.342 ( -0.766 -1.789 7.422) 7.673 13.709 ( 1.149 10.428 -5.271) 11.741 13.771 ( -0.484 -0.175 -5.184) 5.210 14.471 ( -0.528 1.082 1.405) 1.850 14.611 ( -0.436 -3.657 -4.132) 5.535 14.939 ( 2.009 2.771 3.846) 5.148 15.058 ( -3.350 1.297 0.043) 3.592 ======================= Grid point 59 (27/56) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.462 ( -10.329 3.567 -2.599) 11.232 0.582 ( -4.030 8.472 -1.818) 9.556 0.778 ( -1.889 2.239 -3.144) 4.297 0.942 ( 4.130 0.289 1.210) 4.313 1.011 ( -1.737 2.462 -0.759) 3.108 1.032 ( 1.357 4.499 3.066) 5.611 1.139 ( 4.658 0.395 -3.142) 5.633 1.162 ( -1.260 3.557 -2.193) 4.365 1.199 ( 2.766 3.857 -1.288) 4.918 1.250 ( 0.588 2.566 0.545) 2.688 1.284 ( -2.659 0.204 0.460) 2.706 1.299 ( -8.948 4.887 1.648) 10.328 1.381 ( -2.618 2.147 3.079) 4.577 1.434 ( -1.032 -1.406 3.035) 3.501 1.492 ( -1.249 -4.157 -0.672) 4.392 1.505 ( -0.472 -0.601 1.445) 1.635 1.568 ( 1.214 0.548 0.821) 1.565 1.632 ( 7.127 0.034 -6.044) 9.345 1.643 ( -0.509 -2.103 3.199) 3.862 1.678 ( -1.750 0.556 -5.196) 5.511 1.720 ( -3.364 -0.771 3.997) 5.281 1.756 ( -2.549 0.833 2.277) 3.518 1.776 ( -1.729 -1.880 -1.162) 2.806 1.811 ( 0.004 -1.618 0.345) 1.655 1.882 ( 1.999 -1.266 -1.293) 2.697 1.897 ( -2.142 1.514 0.779) 2.736 1.973 ( 3.302 -3.877 2.324) 5.598 2.041 ( -0.114 -2.540 -1.007) 2.735 2.051 ( 4.841 -1.813 -0.592) 5.203 2.082 ( -2.453 0.683 -0.946) 2.716 2.164 ( 4.735 0.089 -3.539) 5.912 2.183 ( -0.610 1.495 -1.877) 2.476 2.232 ( 3.615 2.861 -1.273) 4.783 2.305 ( 1.575 1.499 1.718) 2.772 2.356 ( 0.736 3.218 -0.453) 3.332 2.391 ( -3.681 -1.620 0.357) 4.038 2.443 ( 2.618 0.877 -1.837) 3.316 2.463 ( 2.881 -0.198 -2.177) 3.616 2.552 ( 0.606 -5.321 -1.089) 5.465 2.577 ( 0.714 -1.915 0.531) 2.112 2.693 ( 0.787 1.195 3.612) 3.885 2.741 ( 2.109 -2.656 -2.249) 4.070 2.813 ( -4.085 0.401 0.999) 4.224 2.842 ( 0.325 0.685 3.007) 3.101 2.982 ( -1.369 -2.751 2.957) 4.264 2.999 ( -0.284 -0.773 0.206) 0.849 3.463 ( -2.001 -0.860 2.807) 3.553 3.523 ( -0.344 -0.900 -0.676) 1.177 3.536 ( 2.296 -3.747 -0.165) 4.398 3.604 ( -3.750 -2.362 -0.464) 4.456 3.685 ( 2.833 -7.192 0.543) 7.749 3.713 ( 3.260 -0.055 0.158) 3.264 3.924 ( 3.132 2.094 1.572) 4.083 4.032 ( 4.886 0.723 2.122) 5.376 4.050 ( 4.216 -0.181 -0.451) 4.244 4.095 ( 2.848 -1.277 1.221) 3.352 4.305 ( -2.339 7.357 -3.599) 8.517 4.379 ( 5.549 -0.684 -1.836) 5.884 4.432 ( 5.197 2.257 2.626) 6.245 4.758 ( 13.041 -5.856 1.210) 14.346 5.258 ( -10.214 0.799 0.094) 10.246 5.346 ( -5.217 -8.138 1.942) 9.860 5.464 ( -0.223 -5.008 5.783) 7.653 5.681 ( 2.797 -0.886 -4.054) 5.004 6.009 ( -7.447 6.333 0.509) 9.788 6.229 ( -3.767 12.175 -4.770) 13.608 6.547 ( -7.433 0.651 0.500) 7.478 6.908 ( 5.088 9.180 -2.374) 10.761 10.003 ( -0.410 -0.025 -3.458) 3.482 10.032 ( -0.852 0.665 -4.376) 4.507 10.470 ( -5.774 -3.579 5.926) 9.015 10.711 ( 4.534 -4.749 10.771) 12.615 11.430 ( -0.561 -4.464 2.216) 5.016 11.593 ( -7.774 -9.889 -16.765) 20.960 11.939 ( -3.424 -1.620 3.060) 4.869 12.131 ( -2.686 0.218 -4.879) 5.573 13.279 ( -0.413 1.455 6.020) 6.207 13.342 ( -0.283 -1.675 8.286) 8.458 13.770 ( 2.201 2.478 -5.765) 6.650 13.800 ( 7.890 12.575 -4.587) 15.538 14.473 ( 0.485 0.797 2.120) 2.316 14.600 ( -0.273 -3.644 -4.695) 5.949 14.964 ( -1.363 1.400 3.662) 4.150 14.991 ( -2.159 2.941 0.252) 3.657 ======================= Grid point 60 (28/56) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.318 ( -0.626 8.839 6.557) 11.023 0.486 ( -5.292 11.361 5.768) 13.797 0.777 ( -0.053 2.424 0.976) 2.614 0.854 ( -6.875 8.167 5.760) 12.130 1.035 ( -5.030 3.915 -6.538) 9.131 1.070 ( -1.212 1.344 -1.390) 2.282 1.105 ( 4.137 1.061 -3.119) 5.288 1.119 ( 1.151 3.465 2.226) 4.276 1.217 ( 2.530 1.423 2.810) 4.040 1.242 ( -1.022 1.268 -0.938) 1.879 1.265 ( 1.513 1.575 -3.021) 3.728 1.341 ( -1.640 2.199 1.797) 3.279 1.356 ( 3.846 1.585 0.668) 4.213 1.423 ( 0.892 -0.479 -0.275) 1.050 1.466 ( -1.695 -2.190 1.877) 3.346 1.486 ( -3.673 -2.396 6.659) 7.973 1.539 ( -3.327 -1.429 -0.429) 3.646 1.605 ( -1.516 -0.277 1.887) 2.437 1.660 ( -1.739 2.394 -3.218) 4.372 1.670 ( 0.317 -0.049 5.465) 5.474 1.700 ( -0.688 -0.678 -0.295) 1.010 1.762 ( 1.616 -0.152 0.155) 1.631 1.794 ( 3.323 -1.353 -5.632) 6.678 1.837 ( 0.740 -2.778 -2.906) 4.088 1.877 ( 2.927 -1.390 -4.769) 5.765 1.911 ( -2.198 -0.098 -1.837) 2.866 1.963 ( 1.394 2.322 -3.082) 4.103 2.013 ( -2.756 -0.601 -5.922) 6.560 2.086 ( 3.747 -4.327 2.779) 6.363 2.122 ( -2.452 -1.314 -3.548) 4.509 2.182 ( 3.626 -2.522 1.755) 4.753 2.218 ( -1.492 -2.394 -0.843) 2.944 2.236 ( -3.740 1.231 -3.474) 5.251 2.313 ( 1.210 2.081 -0.617) 2.485 2.345 ( 2.103 3.132 -0.271) 3.783 2.387 ( 3.023 2.784 1.665) 4.434 2.510 ( 1.531 -1.615 -1.098) 2.481 2.534 ( 2.738 -2.158 1.286) 3.715 2.582 ( 1.503 -4.596 2.350) 5.377 2.613 ( 1.471 0.174 2.885) 3.243 2.697 ( -1.084 -0.341 5.723) 5.835 2.755 ( 0.007 0.368 0.058) 0.373 2.805 ( 4.007 -0.263 -1.122) 4.169 2.858 ( 0.918 1.908 1.552) 2.625 2.937 ( -3.873 -2.195 3.240) 5.506 3.002 ( 0.806 0.133 -0.992) 1.285 3.443 ( -0.650 -0.751 2.853) 3.021 3.491 ( -4.171 -3.169 0.898) 5.315 3.493 ( -0.763 -0.909 0.628) 1.343 3.638 ( 4.136 -3.081 -0.095) 5.158 3.745 ( 1.539 -2.095 0.309) 2.618 3.793 ( 4.782 -1.582 -0.630) 5.076 4.044 ( 6.628 3.045 -2.151) 7.605 4.069 ( -0.489 1.805 -0.594) 1.962 4.137 ( 4.898 -1.049 0.747) 5.065 4.237 ( 3.682 3.914 2.776) 6.048 4.285 ( 7.348 0.813 3.895) 8.356 4.447 ( 3.713 -1.924 -0.141) 4.184 4.647 ( 9.242 2.885 1.053) 9.739 5.011 ( -8.927 -7.891 2.483) 12.170 5.033 ( 8.429 -2.381 -0.477) 8.772 5.195 ( -8.664 -3.835 2.159) 9.717 5.447 ( -2.823 -1.715 4.194) 5.339 5.717 ( -0.084 -4.595 -5.254) 6.981 5.808 ( -9.811 4.837 0.995) 10.984 6.117 ( -5.716 10.528 -5.572) 13.212 6.420 ( -3.921 3.038 4.055) 6.407 7.008 ( 4.369 10.137 -9.189) 14.363 10.002 ( 1.689 -0.698 -2.250) 2.899 10.025 ( 1.025 0.096 -2.927) 3.103 10.330 ( -8.142 -3.422 4.611) 9.963 10.721 ( -12.239 -18.924 0.115) 22.537 11.246 ( -5.367 -1.033 0.411) 5.481 11.575 ( 4.172 -1.620 -2.467) 5.110 11.882 ( -2.319 0.395 2.684) 3.570 12.048 ( -4.318 0.905 -3.570) 5.675 13.280 ( -0.386 1.406 5.274) 5.471 13.359 ( 0.252 -3.231 8.527) 9.122 13.804 ( 1.952 2.355 -3.124) 4.372 14.061 ( 17.366 16.765 -11.620) 26.789 14.500 ( 1.643 0.207 3.277) 3.672 14.589 ( 1.418 -0.679 -0.967) 1.846 14.903 ( -3.119 0.327 -0.761) 3.227 14.959 ( -3.052 3.909 3.335) 5.976 ======================= Grid point 61 (29/56) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( -2.184 9.765 8.876) 13.375 0.638 ( 0.978 10.569 7.156) 12.801 0.918 ( 4.075 4.979 -2.851) 7.037 1.028 ( -3.271 4.265 -8.567) 10.113 1.047 ( -0.883 0.995 1.220) 1.805 1.080 ( 4.931 10.095 2.248) 11.458 1.128 ( -1.073 -3.451 0.220) 3.621 1.173 ( -2.455 4.127 -4.969) 6.910 1.225 ( 0.113 0.889 1.274) 1.558 1.249 ( -1.345 0.524 -1.695) 2.226 1.295 ( -3.040 -0.318 6.769) 7.428 1.349 ( 2.313 -3.589 2.287) 4.843 1.368 ( 0.063 2.832 2.603) 3.847 1.417 ( -0.718 -1.830 0.708) 2.089 1.480 ( -0.085 2.690 0.836) 2.818 1.508 ( 0.325 0.755 1.162) 1.423 1.529 ( 2.316 3.593 2.888) 5.159 1.611 ( 1.479 0.711 1.814) 2.446 1.634 ( 0.188 -1.936 -0.167) 1.953 1.655 ( 0.528 -0.455 0.476) 0.844 1.705 ( 1.256 1.601 -1.952) 2.819 1.728 ( -3.708 -3.946 -2.214) 5.850 1.753 ( -0.419 -2.881 -2.742) 3.999 1.827 ( -1.648 1.820 -2.324) 3.381 1.884 ( 0.276 4.098 -3.729) 5.547 1.935 ( 2.455 -0.341 -1.132) 2.725 1.968 ( -0.703 -1.578 -1.651) 2.390 2.024 ( -0.813 -1.428 -2.638) 3.108 2.054 ( 2.202 1.482 3.355) 4.278 2.063 ( 1.656 -2.277 -2.520) 3.779 2.099 ( -1.122 0.588 -4.449) 4.626 2.174 ( -0.374 -2.778 -1.953) 3.416 2.258 ( 1.596 -0.987 -0.397) 1.918 2.288 ( -2.209 -3.768 -2.716) 5.143 2.366 ( -2.612 -3.231 2.806) 5.013 2.418 ( 1.774 0.472 2.205) 2.869 2.471 ( -0.356 -0.817 -1.082) 1.402 2.493 ( 0.204 -2.279 -1.355) 2.659 2.567 ( -0.584 -1.882 1.992) 2.802 2.652 ( -0.482 0.534 2.406) 2.512 2.743 ( 3.874 0.759 2.263) 4.550 2.769 ( -4.201 -1.172 0.724) 4.421 2.814 ( -1.220 0.282 3.733) 3.938 2.895 ( 2.373 1.459 -0.918) 2.933 2.929 ( 2.592 0.006 1.353) 2.924 2.958 ( -2.605 -0.856 -3.563) 4.496 3.389 ( 0.175 -2.553 -0.349) 2.583 3.404 ( -0.105 -2.821 -0.374) 2.847 3.550 ( 1.413 1.112 5.399) 5.691 3.630 ( 0.192 -2.288 0.714) 2.404 3.697 ( -0.808 -3.310 -1.419) 3.691 3.750 ( 0.318 -6.147 -1.725) 6.392 4.109 ( -1.579 4.416 0.569) 4.725 4.165 ( 0.760 2.248 -0.994) 2.573 4.204 ( -0.282 0.733 2.060) 2.205 4.349 ( -0.214 -1.876 -3.348) 3.843 4.434 ( 8.808 -1.052 9.624) 13.089 4.626 ( -8.002 -5.257 2.095) 9.801 4.718 ( -7.635 8.177 1.687) 11.314 4.748 ( 15.292 1.184 2.612) 15.558 5.055 ( -1.332 0.965 2.196) 2.744 5.168 ( -2.380 -0.005 4.064) 4.710 5.274 ( -7.883 -2.566 -5.324) 9.852 5.530 ( -0.112 -6.070 -7.248) 9.455 5.871 ( 3.316 7.717 6.483) 10.610 6.204 ( 1.718 4.138 -6.379) 7.795 6.585 ( 2.626 9.047 6.826) 11.633 7.054 ( -3.005 -2.021 -12.997) 13.492 10.007 ( -1.126 -0.898 -1.158) 1.848 10.033 ( 0.978 -1.784 -1.573) 2.572 10.167 ( -0.514 -1.765 2.195) 2.863 10.253 ( -1.913 -4.325 0.687) 4.778 11.277 ( 1.803 -1.125 7.340) 7.641 11.546 ( 1.770 -8.357 -3.294) 9.155 11.896 ( 0.048 2.309 1.314) 2.657 11.980 ( -0.363 -0.383 -1.891) 1.963 13.314 ( -0.834 2.404 5.559) 6.114 13.374 ( 0.030 1.859 5.498) 5.804 13.897 ( 0.033 4.803 -3.317) 5.838 14.225 ( -2.563 -2.402 -16.522) 16.891 14.545 ( 1.146 0.253 4.832) 4.972 14.678 ( 0.826 -4.177 1.361) 4.470 14.937 ( -3.246 2.936 0.585) 4.415 14.976 ( 6.123 1.615 -0.704) 6.371 ======================= Grid point 62 (30/56) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 2.807 9.416 6.510) 11.786 0.713 ( 4.104 10.490 5.907) 12.719 0.898 ( -4.746 4.137 -6.364) 8.953 1.031 ( 2.462 3.196 -1.363) 4.258 1.055 ( -2.367 5.764 -3.332) 7.066 1.069 ( 2.971 -0.873 -0.725) 3.180 1.134 ( -0.987 -1.296 -2.584) 3.055 1.180 ( -1.962 -0.040 3.271) 3.814 1.193 ( -0.149 3.124 1.958) 3.689 1.256 ( 2.882 0.927 1.387) 3.330 1.306 ( 1.990 0.967 0.931) 2.400 1.361 ( -1.027 -1.244 2.491) 2.967 1.384 ( -0.573 -0.721 1.622) 1.865 1.404 ( 1.343 3.343 0.162) 3.606 1.481 ( -0.854 2.660 -0.784) 2.902 1.535 ( 1.244 -0.987 1.097) 1.930 1.570 ( 1.600 0.841 3.551) 3.985 1.609 ( -2.215 2.494 0.771) 3.424 1.642 ( 0.894 -2.795 -2.141) 3.632 1.665 ( 1.573 -1.784 -0.387) 2.410 1.696 ( -0.050 1.189 1.433) 1.863 1.745 ( 1.679 0.117 -0.657) 1.807 1.747 ( 2.181 1.282 0.033) 2.530 1.809 ( 0.131 1.482 -4.500) 4.740 1.841 ( -0.224 0.772 -0.742) 1.094 1.914 ( -2.354 -4.220 -3.321) 5.863 1.988 ( 0.338 1.584 -2.054) 2.616 2.036 ( 0.303 -0.611 -0.782) 1.037 2.047 ( -1.063 2.756 -1.788) 3.453 2.084 ( -1.148 1.086 -0.853) 1.796 2.119 ( 1.278 -2.004 3.540) 4.264 2.156 ( -0.305 -0.249 -2.292) 2.326 2.250 ( 0.652 -2.487 -3.434) 4.290 2.288 ( 0.633 -3.669 0.283) 3.734 2.366 ( 2.243 -4.031 0.585) 4.650 2.403 ( -4.026 1.273 -1.356) 4.435 2.454 ( -1.854 1.736 0.440) 2.578 2.472 ( -3.838 -1.701 -3.694) 5.591 2.518 ( -0.057 -4.256 3.432) 5.467 2.663 ( -2.002 -0.378 1.707) 2.658 2.669 ( -3.391 -0.885 0.039) 3.505 2.787 ( -1.230 0.572 4.490) 4.691 2.841 ( 4.218 -1.332 1.509) 4.673 2.849 ( -4.354 -0.332 -0.419) 4.387 2.939 ( 0.299 1.658 -2.156) 2.736 2.978 ( 1.582 -0.544 1.972) 2.586 3.400 ( 1.491 -3.499 -0.934) 3.916 3.435 ( 2.349 -2.663 -0.043) 3.551 3.571 ( -0.361 -1.368 4.774) 4.979 3.604 ( -2.897 -3.487 0.568) 4.569 3.643 ( -3.852 -1.550 -1.600) 4.450 3.724 ( -2.636 -4.113 -1.717) 5.178 4.052 ( -4.980 0.293 0.457) 5.009 4.067 ( -6.201 6.125 0.572) 8.735 4.145 ( -6.024 -1.002 -0.125) 6.108 4.249 ( -6.013 -0.224 1.225) 6.141 4.436 ( -5.981 -0.722 0.156) 6.027 4.508 ( -9.930 4.362 -1.767) 10.988 4.735 ( 9.074 -3.372 9.577) 13.617 4.933 ( -11.388 0.468 4.395) 12.216 5.006 ( 3.660 -5.003 -3.083) 6.923 5.127 ( -4.164 -1.127 -1.572) 4.591 5.184 ( 11.769 3.670 3.596) 12.842 5.598 ( 3.883 -6.181 -3.421) 8.062 6.019 ( 9.509 9.238 1.973) 13.404 6.294 ( 6.020 5.245 -6.802) 10.489 6.680 ( 4.679 5.968 8.159) 11.139 6.960 ( -2.727 1.857 -11.545) 12.007 9.977 ( -0.097 0.735 -2.109) 2.236 10.027 ( 0.141 -1.371 -1.408) 1.971 10.268 ( 7.693 -2.608 2.829) 8.602 10.345 ( 7.074 -3.912 1.384) 8.201 11.309 ( 0.324 -3.209 2.918) 4.349 11.543 ( -0.885 -11.088 -2.264) 11.351 11.925 ( 2.366 2.340 2.048) 3.907 12.019 ( 3.792 -0.836 -2.624) 4.686 13.306 ( -0.726 2.108 5.471) 5.908 13.372 ( -1.168 2.036 6.201) 6.630 13.863 ( -2.423 3.763 -3.674) 5.790 14.087 ( -7.275 1.230 -12.976) 14.927 14.551 ( -1.393 0.316 3.784) 4.044 14.643 ( -2.884 -3.380 -0.398) 4.461 14.896 ( 0.191 3.945 -0.159) 3.953 15.094 ( 3.343 -1.885 0.702) 3.902 ======================= Grid point 63 (31/56) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( 8.234 6.085 2.272) 10.488 0.741 ( -1.560 7.804 -4.003) 8.908 0.889 ( 3.953 8.124 0.875) 9.077 0.983 ( -4.337 2.848 -0.532) 5.216 1.014 ( -1.760 4.872 -3.428) 6.211 1.111 ( -0.608 -0.277 -0.461) 0.812 1.147 ( 2.338 -1.398 0.579) 2.785 1.164 ( -3.261 -1.139 2.112) 4.049 1.188 ( -0.802 3.592 -3.102) 4.813 1.232 ( -0.428 0.847 -1.072) 1.432 1.311 ( 1.847 -0.589 2.699) 3.323 1.365 ( 0.253 0.650 0.531) 0.877 1.432 ( 2.821 0.065 1.395) 3.148 1.458 ( 3.336 0.686 -0.865) 3.514 1.484 ( 1.341 -0.656 1.032) 1.814 1.545 ( -0.865 1.607 -0.236) 1.840 1.583 ( 2.320 0.140 2.022) 3.081 1.594 ( -2.173 4.634 -0.091) 5.119 1.656 ( 0.896 -1.291 -1.218) 1.988 1.671 ( -2.257 -2.403 -1.272) 3.534 1.711 ( 0.360 -0.709 -2.271) 2.406 1.740 ( 0.716 -2.058 0.392) 2.214 1.801 ( 1.624 -0.051 2.439) 2.931 1.848 ( 2.731 -1.624 -2.957) 4.340 1.882 ( 0.731 -2.215 2.315) 3.287 1.906 ( 1.152 -0.864 1.510) 2.086 1.936 ( -3.665 0.974 1.919) 4.250 1.978 ( -0.715 1.702 1.280) 2.246 2.020 ( -0.421 1.915 -2.338) 3.051 2.081 ( -1.145 2.081 2.169) 3.217 2.160 ( 1.922 2.589 -3.526) 4.777 2.190 ( 3.137 -1.471 -1.426) 3.747 2.217 ( -4.712 1.420 -0.156) 4.924 2.282 ( -2.890 1.385 -0.356) 3.224 2.323 ( -0.110 -2.358 0.814) 2.497 2.354 ( -2.166 0.227 -4.954) 5.411 2.411 ( -1.403 -4.367 -2.256) 5.112 2.448 ( 0.279 -1.680 0.030) 1.703 2.494 ( -1.977 1.005 0.803) 2.359 2.618 ( -0.138 -3.477 3.507) 4.940 2.652 ( -0.352 -2.858 -2.756) 3.986 2.741 ( -3.356 -1.233 3.337) 4.891 2.802 ( -0.190 0.576 -0.347) 0.699 2.912 ( 0.996 -2.220 -0.007) 2.433 2.928 ( -0.189 0.213 -0.330) 0.436 2.994 ( -0.636 -1.382 2.353) 2.802 3.435 ( 1.343 -4.896 -0.946) 5.164 3.485 ( 1.109 -1.176 1.156) 1.987 3.535 ( -1.833 -5.301 -1.273) 5.752 3.551 ( -2.305 -3.619 3.217) 5.363 3.566 ( -2.104 0.224 0.535) 2.182 3.653 ( -2.958 -0.549 -1.709) 3.460 3.937 ( -2.709 0.401 1.617) 3.180 3.999 ( -4.013 2.468 0.961) 4.808 4.026 ( -3.766 -1.893 -1.287) 4.407 4.171 ( -1.441 0.290 4.020) 4.280 4.255 ( -8.785 1.401 -3.999) 9.753 4.361 ( -4.517 -0.706 -1.127) 4.708 4.705 ( -8.757 3.636 1.973) 9.685 4.780 ( -7.581 2.732 -1.245) 8.154 5.087 ( 7.956 -8.958 2.880) 12.322 5.162 ( 4.113 -6.143 6.668) 9.956 5.410 ( 7.317 3.519 1.686) 8.292 5.638 ( 0.607 -1.386 -2.412) 2.847 6.201 ( 6.816 8.982 -0.240) 11.277 6.398 ( 5.090 6.262 -6.575) 10.409 6.763 ( 1.385 4.575 6.155) 7.793 6.922 ( 0.441 3.865 -7.391) 8.352 9.996 ( 1.830 1.249 -2.637) 3.444 10.046 ( 1.496 -0.437 -2.016) 2.548 10.421 ( 5.521 -3.809 4.098) 7.860 10.467 ( 3.995 -3.337 3.193) 6.107 11.313 ( 0.554 -2.242 -0.544) 2.372 11.530 ( -0.171 -13.136 -3.201) 13.522 11.976 ( 1.705 1.891 2.677) 3.694 12.094 ( 3.399 -1.633 -3.231) 4.966 13.306 ( -0.261 1.489 5.731) 5.927 13.354 ( -1.481 1.784 6.991) 7.365 13.804 ( -2.107 2.383 -5.234) 6.124 13.928 ( -5.307 3.501 -10.076) 11.914 14.519 ( -1.672 1.290 1.956) 2.879 14.586 ( -2.307 -2.368 -0.773) 3.395 14.932 ( 2.588 2.925 1.333) 4.127 15.114 ( -0.974 -1.191 0.844) 1.755 ======================= Grid point 64 (32/56) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.715 ( -2.147 7.233 -3.962) 8.522 0.765 ( -2.998 2.960 -6.768) 7.972 0.855 ( 1.972 4.255 1.090) 4.815 0.956 ( -2.576 4.579 0.381) 5.268 1.035 ( 2.138 4.293 2.089) 5.231 1.089 ( -0.885 1.220 -1.802) 2.349 1.131 ( 2.982 5.435 4.188) 7.481 1.150 ( 3.004 3.618 -3.242) 5.712 1.232 ( 1.820 -2.080 0.184) 2.770 1.253 ( 0.582 -0.057 -0.124) 0.598 1.370 ( 0.481 2.076 -2.961) 3.648 1.383 ( 2.025 1.653 0.908) 2.767 1.449 ( 0.247 2.627 -2.897) 3.919 1.467 ( -0.097 -1.807 1.834) 2.576 1.500 ( -3.108 0.445 1.417) 3.445 1.520 ( -0.258 -2.914 -0.871) 3.052 1.591 ( -1.657 -0.649 3.629) 4.042 1.596 ( -0.607 0.377 0.822) 1.089 1.645 ( -0.431 -1.416 -0.489) 1.559 1.671 ( -0.254 -0.228 -0.348) 0.487 1.692 ( -0.217 -2.750 -2.521) 3.737 1.735 ( -0.478 0.333 0.320) 0.665 1.795 ( -0.453 -2.211 0.848) 2.411 1.852 ( -2.861 -0.207 4.153) 5.047 1.856 ( -2.906 -0.258 -0.805) 3.026 1.881 ( -1.060 -0.624 1.082) 1.638 1.961 ( -0.528 -0.584 0.242) 0.824 1.972 ( 1.604 1.241 -0.536) 2.098 2.009 ( -0.076 0.145 2.473) 2.479 2.097 ( 3.872 2.705 -0.974) 4.822 2.174 ( -3.211 1.628 -1.128) 3.773 2.185 ( 2.804 2.246 1.136) 3.768 2.228 ( -1.064 0.511 -2.557) 2.817 2.251 ( 2.613 -1.923 0.613) 3.302 2.318 ( 1.337 0.925 -1.119) 1.974 2.350 ( 1.510 -2.103 -3.488) 4.344 2.390 ( 1.906 -0.877 -0.775) 2.237 2.447 ( -0.885 -3.114 0.781) 3.330 2.496 ( 0.989 -1.942 1.914) 2.901 2.609 ( -2.370 0.920 -0.747) 2.650 2.646 ( 1.329 -2.460 -1.509) 3.177 2.702 ( -0.444 -0.580 -2.420) 2.527 2.811 ( 0.442 -1.016 2.541) 2.772 2.887 ( -1.618 -0.916 -0.467) 1.917 2.937 ( -0.254 -2.620 0.650) 2.711 2.965 ( -1.797 -2.284 1.458) 3.252 3.443 ( -0.348 -3.778 0.011) 3.794 3.465 ( 0.696 -2.602 0.287) 2.708 3.500 ( -2.254 -1.604 2.020) 3.425 3.547 ( -0.466 -2.476 0.756) 2.630 3.588 ( 2.442 -2.476 -0.203) 3.484 3.637 ( 1.765 -0.520 -0.017) 1.841 3.914 ( -1.923 0.135 0.551) 2.005 3.958 ( 3.673 0.446 2.801) 4.641 3.993 ( 0.065 -3.020 -1.883) 3.560 4.082 ( -5.365 2.356 -1.575) 6.068 4.246 ( 5.780 -0.437 3.131) 6.588 4.340 ( 2.443 -1.153 0.400) 2.731 4.573 ( -2.862 0.620 -1.717) 3.395 4.593 ( -8.759 2.640 -4.565) 10.224 5.240 ( 1.631 -5.208 6.393) 8.405 5.255 ( 6.287 -6.598 7.588) 11.859 5.457 ( -2.743 3.856 0.040) 4.732 5.641 ( 0.559 -0.054 -2.726) 2.783 6.264 ( -1.015 8.837 -0.134) 8.896 6.462 ( 1.820 5.934 -8.084) 10.192 6.738 ( -4.446 5.655 4.966) 8.741 6.952 ( 3.163 3.998 -4.533) 6.821 10.022 ( 0.695 1.230 -2.362) 2.752 10.061 ( 0.036 0.167 -2.597) 2.602 10.469 ( -1.433 -3.444 4.147) 5.578 10.540 ( 2.679 -4.726 4.482) 7.042 11.341 ( 1.810 -2.322 0.909) 3.080 11.491 ( -3.376 -12.505 -6.144) 14.336 11.992 ( -0.695 2.231 2.586) 3.486 12.131 ( 0.550 -2.058 -3.135) 3.790 13.309 ( -0.476 1.388 6.271) 6.440 13.343 ( -0.801 1.128 6.888) 7.026 13.776 ( 0.573 1.842 -6.255) 6.546 13.872 ( 2.053 4.587 -9.054) 10.356 14.499 ( -0.673 1.659 1.724) 2.486 14.553 ( -0.758 -1.974 -0.922) 2.307 14.984 ( 1.679 1.821 2.858) 3.782 15.074 ( -2.560 0.053 -0.290) 2.577 ======================= Grid point 65 (33/56) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.570 ( -6.318 7.060 -2.561) 9.814 0.755 ( 0.338 8.248 -2.202) 8.543 0.845 ( -5.141 4.618 1.615) 7.097 0.962 ( 4.686 1.375 2.686) 5.573 1.038 ( 0.932 -0.430 -1.866) 2.130 1.150 ( 1.151 6.374 1.637) 6.681 1.166 ( 2.950 2.453 -4.025) 5.560 1.233 ( -0.634 2.253 1.432) 2.743 1.254 ( 0.915 1.496 -2.522) 3.071 1.280 ( -0.206 1.782 -0.431) 1.845 1.327 ( 3.081 5.311 -1.165) 6.249 1.380 ( -1.918 -1.604 3.081) 3.968 1.396 ( -4.928 -0.823 -0.154) 4.999 1.430 ( -7.374 5.472 0.784) 9.216 1.465 ( -1.360 -0.909 -0.138) 1.642 1.496 ( -2.228 0.397 2.800) 3.600 1.576 ( 2.654 -0.981 -0.348) 2.850 1.598 ( 4.215 -3.836 -4.733) 7.408 1.630 ( -0.826 2.625 1.450) 3.111 1.670 ( -0.930 -1.135 1.462) 2.071 1.692 ( 1.275 -2.748 -0.788) 3.130 1.728 ( -0.802 -2.133 -1.581) 2.774 1.784 ( -2.068 -1.623 -0.492) 2.675 1.789 ( -3.608 0.786 4.069) 5.495 1.814 ( 0.076 -2.678 -1.153) 2.916 1.898 ( 1.098 -0.440 1.714) 2.083 1.929 ( -0.230 -0.805 1.346) 1.585 2.025 ( 0.285 -0.133 -1.946) 1.971 2.028 ( 4.411 1.266 1.618) 4.866 2.108 ( -2.183 0.516 0.714) 2.354 2.152 ( 0.614 -1.902 -3.186) 3.761 2.193 ( -2.133 -0.326 -2.059) 2.983 2.272 ( 4.215 -0.100 -0.789) 4.289 2.296 ( 1.470 -2.644 0.250) 3.035 2.356 ( 1.067 0.951 -2.241) 2.657 2.386 ( 1.474 -1.116 -0.538) 1.925 2.431 ( 2.005 -2.602 -2.265) 3.990 2.474 ( 4.031 -0.167 1.443) 4.285 2.526 ( -3.867 3.871 -4.279) 6.945 2.541 ( 2.724 -0.286 4.273) 5.075 2.698 ( 0.295 -0.121 -0.974) 1.025 2.708 ( 4.055 -0.420 1.001) 4.198 2.815 ( -0.836 -0.508 2.630) 2.806 2.857 ( -0.585 0.183 1.050) 1.215 2.909 ( -2.093 -4.310 1.195) 4.938 2.966 ( 1.185 -2.302 -0.084) 2.590 3.425 ( -1.243 -2.920 -0.202) 3.180 3.480 ( 0.468 -0.485 2.189) 2.291 3.507 ( -2.549 -1.263 0.405) 2.873 3.553 ( 5.861 -4.303 -0.423) 7.283 3.599 ( -0.612 -0.258 -0.907) 1.124 3.688 ( 2.197 -2.663 -0.583) 3.501 3.961 ( 5.629 0.667 2.311) 6.121 4.029 ( 2.163 -2.198 -1.317) 3.353 4.050 ( 3.743 0.938 -0.090) 3.860 4.063 ( 6.263 0.590 2.516) 6.775 4.342 ( 0.513 -1.983 -0.297) 2.070 4.401 ( -1.013 -0.038 -6.024) 6.109 4.502 ( 7.679 3.906 3.958) 9.481 4.650 ( 9.372 -3.438 2.761) 10.358 5.217 ( -5.572 -1.580 0.934) 5.867 5.311 ( -4.556 -0.193 1.347) 4.755 5.388 ( -0.021 -0.845 8.990) 9.030 5.633 ( -1.120 -3.499 -4.394) 5.727 6.161 ( -8.627 8.646 -0.807) 12.240 6.426 ( -4.070 5.060 -8.260) 10.507 6.633 ( -5.619 8.759 4.573) 11.367 7.019 ( 3.873 1.703 -3.932) 5.776 10.012 ( -1.046 0.879 -2.010) 2.430 10.042 ( -1.087 0.342 -2.710) 2.940 10.398 ( -5.787 -3.334 3.535) 7.556 10.568 ( -1.769 -8.876 4.273) 10.008 11.326 ( -5.471 -4.646 -1.705) 7.377 11.429 ( 1.469 -6.338 -2.489) 6.966 11.960 ( -2.508 2.489 2.060) 4.090 12.105 ( -2.418 -2.135 -2.664) 4.183 13.312 ( -0.253 1.626 6.357) 6.566 13.343 ( -0.212 1.113 6.025) 6.131 13.808 ( 3.314 3.072 -5.553) 7.159 13.983 ( 9.913 4.038 -10.154) 14.754 14.495 ( 0.016 1.397 1.940) 2.391 14.552 ( 0.723 -0.994 -0.161) 1.240 14.980 ( -2.767 0.794 1.675) 3.330 15.040 ( -0.592 1.184 0.731) 1.512 ======================= Grid point 66 (34/56) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.517 ( 0.685 11.038 4.511) 11.944 0.690 ( -5.571 9.411 5.948) 12.449 0.832 ( 3.791 3.041 -2.662) 5.541 1.039 ( 0.546 2.530 2.031) 3.290 1.076 ( 0.689 4.853 -1.878) 5.249 1.096 ( -1.690 1.980 -2.484) 3.598 1.165 ( -4.803 4.156 -0.839) 6.406 1.210 ( -0.922 1.790 -2.433) 3.158 1.223 ( -1.333 3.340 -1.126) 3.768 1.268 ( 0.467 0.820 -0.439) 1.040 1.312 ( -0.286 -4.173 0.712) 4.243 1.338 ( -2.031 4.732 2.342) 5.657 1.373 ( 0.394 0.964 3.880) 4.018 1.429 ( -1.097 -1.730 1.669) 2.643 1.455 ( 3.898 3.660 -0.083) 5.348 1.482 ( 0.159 1.510 1.249) 1.966 1.539 ( -3.319 -0.044 0.606) 3.375 1.600 ( -1.080 1.710 2.854) 3.498 1.645 ( -1.763 -2.696 -1.209) 3.440 1.679 ( -1.096 -2.166 0.566) 2.493 1.706 ( -0.275 1.071 -1.243) 1.664 1.725 ( 1.911 -3.438 -2.552) 4.689 1.768 ( 3.358 -1.350 -0.188) 3.624 1.787 ( 1.809 0.277 -1.735) 2.522 1.852 ( 2.624 -1.282 -2.515) 3.854 1.914 ( 0.312 0.061 0.167) 0.359 1.955 ( 2.502 -2.954 -1.876) 4.301 2.006 ( -0.120 0.453 1.779) 1.840 2.071 ( -0.918 -0.003 -1.588) 1.834 2.087 ( -5.208 -0.234 -2.641) 5.844 2.137 ( 0.915 -4.717 -0.081) 4.806 2.170 ( 2.014 1.679 -0.386) 2.651 2.255 ( -2.982 -0.579 -3.270) 4.463 2.343 ( -0.471 -3.742 -1.946) 4.243 2.360 ( 1.004 -0.666 1.053) 1.600 2.402 ( 0.473 1.448 -1.999) 2.513 2.471 ( 0.648 -2.197 -0.992) 2.497 2.483 ( 1.109 0.774 -2.832) 3.139 2.534 ( 1.638 -2.168 3.210) 4.206 2.623 ( 3.645 1.397 3.194) 5.043 2.707 ( 0.144 1.755 2.209) 2.825 2.797 ( 0.963 2.989 2.971) 4.324 2.808 ( 3.847 -0.107 -1.043) 3.988 2.853 ( -2.356 -4.372 4.889) 6.969 2.886 ( 1.311 -0.776 -0.831) 1.736 2.985 ( 0.434 -1.623 -1.884) 2.524 3.397 ( -1.179 -2.578 -0.402) 2.863 3.441 ( -2.765 -2.571 -0.882) 3.878 3.510 ( 1.286 2.035 4.348) 4.970 3.608 ( 1.513 -0.747 -0.115) 1.692 3.668 ( 4.054 -4.347 -0.575) 5.972 3.725 ( 1.902 -4.765 -1.407) 5.320 4.076 ( 5.173 -1.134 0.508) 5.320 4.101 ( 2.754 1.099 -1.159) 3.183 4.149 ( 5.816 4.896 0.528) 7.621 4.255 ( 9.671 -1.522 2.971) 10.231 4.299 ( 0.167 0.017 0.797) 0.815 4.463 ( 7.985 -0.353 -0.468) 8.007 4.705 ( 5.781 2.893 6.643) 9.270 4.836 ( 2.078 -3.305 2.007) 4.390 5.066 ( -2.522 3.164 -1.853) 4.450 5.180 ( -7.128 0.623 2.151) 7.471 5.395 ( -2.428 -3.494 2.479) 4.924 5.594 ( -1.522 -7.148 -3.171) 7.966 5.941 ( -10.826 9.130 0.523) 14.172 6.287 ( -6.970 4.168 -6.776) 10.577 6.562 ( -1.564 10.677 4.772) 11.799 7.080 ( 2.255 -1.813 -7.756) 8.278 9.996 ( 0.401 0.098 -1.525) 1.580 10.022 ( -0.127 -0.299 -2.180) 2.204 10.263 ( -7.192 -3.004 2.863) 8.304 10.434 ( -11.310 -10.916 0.774) 15.737 11.242 ( -0.838 0.657 3.500) 3.658 11.489 ( 3.612 -6.172 -1.908) 7.401 11.913 ( -1.934 2.323 1.386) 3.325 12.035 ( -3.656 -1.542 -2.051) 4.467 13.317 ( -0.398 2.130 5.873) 6.260 13.357 ( 0.532 1.460 5.525) 5.739 13.871 ( 2.963 4.589 -4.226) 6.907 14.188 ( 9.482 -1.134 -15.263) 18.004 14.510 ( 1.118 0.975 3.118) 3.453 14.593 ( 3.914 0.184 2.969) 4.917 14.925 ( -1.609 1.987 -0.434) 2.593 15.013 ( -2.694 1.295 1.595) 3.388 ======================= Grid point 67 (35/56) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( -1.742 10.644 5.904) 12.296 0.831 ( 1.787 9.115 5.019) 10.558 0.911 ( 1.448 -5.626 0.874) 5.875 0.989 ( 1.502 -6.658 2.840) 7.393 1.088 ( -2.101 1.293 -3.669) 4.421 1.106 ( -3.986 0.775 -3.253) 5.202 1.188 ( 2.023 1.965 -1.736) 3.312 1.224 ( 2.056 1.049 -3.074) 3.844 1.257 ( -0.622 1.633 -0.668) 1.871 1.289 ( -0.437 1.177 0.142) 1.264 1.322 ( 0.237 1.622 -1.519) 2.235 1.343 ( -0.866 -1.115 -1.417) 2.000 1.372 ( -1.311 3.745 3.326) 5.177 1.401 ( -1.685 2.573 -0.685) 3.151 1.467 ( -0.827 -2.515 3.011) 4.009 1.506 ( -1.519 -6.270 -3.476) 7.328 1.566 ( -0.143 0.627 -0.115) 0.654 1.583 ( 1.831 -1.650 2.175) 3.287 1.616 ( 2.274 1.341 3.327) 4.247 1.660 ( -0.282 -0.380 1.033) 1.136 1.713 ( 2.370 2.453 2.407) 4.175 1.742 ( 1.120 0.592 -0.529) 1.373 1.768 ( -2.513 5.228 0.594) 5.831 1.865 ( -0.229 -1.403 -2.495) 2.872 1.905 ( -1.561 -0.495 -1.639) 2.317 1.921 ( -0.575 -0.095 -0.057) 0.586 1.936 ( 3.520 0.858 -0.324) 3.637 1.983 ( 3.541 -3.304 2.087) 5.274 2.020 ( 3.615 -0.379 0.593) 3.683 2.067 ( 1.309 -4.914 2.797) 5.803 2.149 ( -1.185 1.800 -1.990) 2.933 2.158 ( -0.355 5.925 -1.398) 6.098 2.220 ( -2.091 -3.268 -1.066) 4.024 2.258 ( -1.856 0.680 -2.921) 3.527 2.322 ( -3.986 -0.853 -6.375) 7.567 2.364 ( 0.635 -4.011 -2.090) 4.567 2.465 ( 0.758 1.535 -0.385) 1.755 2.508 ( 1.468 -1.638 1.194) 2.503 2.536 ( -0.717 1.704 -2.985) 3.511 2.607 ( -2.367 -4.231 -2.208) 5.327 2.757 ( 0.567 0.895 1.881) 2.159 2.768 ( 0.461 0.446 2.295) 2.383 2.838 ( -1.713 1.881 5.070) 5.673 2.887 ( -0.532 -2.922 3.044) 4.253 2.930 ( 2.544 1.770 -1.172) 3.313 2.954 ( 0.915 -0.518 -1.206) 1.600 3.347 ( -0.303 -1.289 -1.023) 1.673 3.353 ( -0.280 -1.919 -1.075) 2.217 3.571 ( 0.016 1.105 3.069) 3.262 3.596 ( -0.330 -1.478 1.023) 1.828 3.646 ( 0.085 -1.287 -0.448) 1.365 3.658 ( 0.276 -2.662 0.015) 2.676 4.169 ( -0.574 0.993 0.110) 1.153 4.175 ( 1.009 0.279 0.203) 1.066 4.265 ( -0.872 4.081 1.279) 4.365 4.322 ( -0.666 -0.728 -0.095) 0.991 4.418 ( 6.926 -0.261 6.148) 9.265 4.475 ( -0.623 -6.471 4.349) 7.821 4.831 ( -2.844 4.868 0.880) 5.706 4.866 ( 0.806 2.421 -0.527) 2.605 5.115 ( 2.706 4.718 0.658) 5.478 5.173 ( -2.978 -0.454 2.500) 3.915 5.240 ( -5.284 1.731 -2.958) 6.298 5.378 ( -1.210 -8.972 -2.772) 9.468 6.049 ( 2.866 9.269 2.183) 9.945 6.194 ( 2.265 -4.741 -1.923) 5.595 6.772 ( 0.300 9.815 -0.264) 9.823 6.949 ( -1.268 -7.844 -6.494) 10.262 10.000 ( -0.506 0.094 -0.663) 0.839 10.008 ( -0.142 -0.754 -0.593) 0.970 10.148 ( 0.125 0.145 0.435) 0.475 10.180 ( -0.003 -2.968 -0.115) 2.970 11.298 ( 0.143 3.178 3.440) 4.685 11.395 ( 0.170 -6.628 -0.178) 6.633 11.937 ( 0.287 1.793 -0.083) 1.817 11.965 ( 0.075 -1.103 -1.216) 1.644 13.366 ( -0.523 2.432 5.898) 6.401 13.394 ( -0.075 -0.227 5.857) 5.862 14.010 ( -0.151 6.559 -7.396) 9.887 14.137 ( -0.752 -6.056 -12.020) 13.481 14.561 ( 0.406 1.467 4.110) 4.383 14.605 ( -0.030 -3.091 3.194) 4.445 14.979 ( -0.854 1.379 -0.055) 1.623 14.992 ( 2.216 0.067 -0.440) 2.260 ======================= Grid point 68 (36/56) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 1.078 10.627 4.942) 11.770 0.887 ( 1.310 3.578 4.068) 5.574 0.941 ( 2.376 -1.621 3.043) 4.187 1.011 ( -1.838 1.351 -2.352) 3.276 1.040 ( 2.391 -3.323 1.276) 4.288 1.074 ( -0.100 -2.196 -2.480) 3.314 1.177 ( -3.325 3.002 -3.322) 5.577 1.205 ( -2.681 1.899 -2.464) 4.106 1.243 ( 0.159 1.102 -1.047) 1.528 1.283 ( 0.264 0.531 0.781) 0.980 1.328 ( -0.306 3.425 -1.852) 3.906 1.375 ( -0.695 0.502 -0.028) 0.857 1.379 ( 2.739 2.519 1.490) 4.008 1.405 ( 3.236 -0.375 -0.178) 3.262 1.471 ( 0.177 -4.791 1.524) 5.031 1.479 ( 0.242 -6.640 -2.564) 7.122 1.582 ( 0.794 2.539 -2.022) 3.342 1.608 ( 0.517 -0.149 -1.539) 1.631 1.653 ( -0.386 2.727 -0.359) 2.777 1.663 ( 1.473 0.751 3.410) 3.789 1.704 ( -0.117 0.307 3.995) 4.009 1.754 ( -0.354 -2.439 0.497) 2.514 1.792 ( 1.995 1.496 1.054) 2.707 1.809 ( -2.608 -1.989 1.642) 3.668 1.880 ( -2.606 3.524 -1.121) 4.524 1.894 ( -0.192 2.321 -2.696) 3.562 2.010 ( -2.023 -0.689 0.911) 2.323 2.016 ( 0.603 0.636 2.633) 2.775 2.052 ( 1.267 -1.015 -1.588) 2.271 2.096 ( 2.041 -3.115 2.089) 4.270 2.118 ( -1.162 4.391 2.784) 5.328 2.178 ( 2.676 1.471 -2.694) 4.071 2.221 ( 1.427 -0.942 -3.512) 3.906 2.258 ( 1.317 -1.063 -2.255) 2.819 2.270 ( 2.519 -2.055 -1.142) 3.446 2.360 ( -1.241 -5.084 -4.272) 6.756 2.447 ( -3.292 0.873 -1.562) 3.747 2.469 ( -4.060 -1.105 -1.900) 4.617 2.520 ( 0.498 3.471 -0.867) 3.612 2.597 ( 0.054 -4.007 -1.093) 4.153 2.713 ( -5.322 3.205 2.016) 6.531 2.783 ( -3.108 -3.010 1.905) 4.727 2.812 ( 0.799 0.485 3.175) 3.310 2.833 ( -1.875 -1.286 1.549) 2.751 2.962 ( 0.352 0.992 -0.252) 1.082 2.975 ( 0.584 -0.196 0.648) 0.894 3.355 ( 1.370 -0.765 -1.800) 2.388 3.376 ( 2.178 -2.754 -1.307) 3.747 3.554 ( -2.366 -0.295 2.730) 3.624 3.560 ( -3.269 -1.097 0.949) 3.576 3.626 ( -1.731 0.206 0.169) 1.752 3.655 ( -0.537 -2.659 0.196) 2.719 4.061 ( -8.018 1.319 -0.308) 8.132 4.102 ( -6.559 -2.307 -0.294) 6.959 4.187 ( -5.481 4.127 1.522) 7.027 4.235 ( -6.443 -0.855 1.083) 6.589 4.435 ( -3.788 1.804 0.227) 4.201 4.514 ( -5.078 -4.851 0.252) 7.027 4.746 ( 3.092 6.157 7.071) 9.872 4.874 ( -2.640 -5.828 5.591) 8.497 5.024 ( -7.386 3.683 -2.750) 8.700 5.090 ( -6.325 -2.780 -2.763) 7.441 5.308 ( 11.424 8.189 1.807) 14.171 5.467 ( 7.543 -7.579 -0.622) 10.712 6.200 ( 9.258 8.494 0.171) 12.566 6.319 ( 7.868 -2.953 -3.369) 9.054 6.801 ( 2.415 6.673 1.252) 7.207 6.921 ( 0.072 -4.921 -6.119) 7.852 9.992 ( 0.625 0.821 -0.820) 1.318 10.007 ( 0.795 -0.765 -0.505) 1.214 10.236 ( 6.769 -0.146 0.563) 6.794 10.269 ( 6.840 -3.310 -0.043) 7.599 11.293 ( -0.813 1.722 2.355) 3.029 11.373 ( -1.828 -6.412 0.047) 6.668 11.969 ( 2.493 1.959 0.167) 3.175 12.000 ( 3.033 -1.254 -1.390) 3.565 13.357 ( -1.169 2.591 6.030) 6.667 13.390 ( -1.281 -0.473 6.453) 6.596 13.956 ( -3.437 5.394 -7.442) 9.813 14.053 ( -4.832 -3.995 -11.105) 12.753 14.559 ( -1.095 0.717 3.238) 3.492 14.587 ( -1.764 -2.215 2.110) 3.531 14.975 ( 0.651 3.980 -0.067) 4.034 15.045 ( 2.156 -3.115 0.390) 3.808 ======================= Grid point 69 (37/56) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.803 ( 4.053 7.186 3.040) 8.792 0.878 ( -1.075 3.636 -1.520) 4.085 0.980 ( -2.861 -0.204 -1.451) 3.215 1.031 ( -1.736 -2.766 -1.026) 3.423 1.057 ( 5.951 5.193 2.572) 8.307 1.096 ( -0.070 0.637 -3.874) 3.927 1.124 ( 0.849 -1.021 0.401) 1.387 1.165 ( 1.860 -1.103 1.886) 2.870 1.248 ( 0.372 2.598 -1.543) 3.044 1.299 ( -0.473 6.244 -1.443) 6.426 1.312 ( -0.805 1.112 -1.078) 1.745 1.338 ( -0.775 -2.072 0.164) 2.218 1.422 ( 1.300 -0.024 0.744) 1.498 1.456 ( 0.607 -3.341 0.140) 3.399 1.462 ( -0.151 -0.802 2.656) 2.778 1.510 ( 2.274 -5.651 0.096) 6.093 1.595 ( -1.723 4.651 -2.455) 5.534 1.618 ( 0.021 -0.318 -1.199) 1.241 1.630 ( 2.577 -1.354 -1.450) 3.252 1.684 ( -1.922 -0.192 0.544) 2.007 1.733 ( -1.603 2.206 -2.173) 3.487 1.743 ( -0.778 -1.033 1.311) 1.841 1.786 ( 0.403 -0.258 0.198) 0.518 1.800 ( 1.732 0.215 0.632) 1.857 1.837 ( 0.586 -1.020 3.713) 3.895 1.872 ( -1.487 -3.738 -0.941) 4.132 1.966 ( -1.045 3.201 0.926) 3.492 2.016 ( -0.963 -0.112 -1.780) 2.027 2.048 ( -1.336 1.768 2.869) 3.625 2.117 ( 0.355 -3.864 1.284) 4.087 2.183 ( 2.964 6.548 3.498) 7.993 2.225 ( 2.477 2.668 -2.307) 4.310 2.238 ( -1.332 0.443 -1.450) 2.018 2.275 ( -0.827 0.939 -1.672) 2.088 2.314 ( -0.407 -4.666 1.297) 4.860 2.329 ( 0.912 -1.605 -5.293) 5.606 2.364 ( -1.419 0.716 -2.866) 3.277 2.404 ( -1.234 -2.035 -1.368) 2.745 2.527 ( -0.846 2.387 -0.218) 2.541 2.584 ( -1.689 -2.506 1.356) 3.312 2.605 ( -2.177 1.436 1.001) 2.793 2.683 ( -4.111 -4.583 2.716) 6.729 2.817 ( -0.241 1.215 -0.449) 1.317 2.855 ( 0.965 -2.701 -0.366) 2.891 2.947 ( -1.489 1.292 0.190) 1.980 2.971 ( -1.187 -1.076 1.137) 1.965 3.381 ( 1.153 -0.326 -1.747) 2.118 3.422 ( 1.867 -4.163 -1.637) 4.847 3.483 ( -3.047 -0.022 1.642) 3.461 3.499 ( -2.579 -1.743 2.013) 3.707 3.600 ( -0.581 2.411 1.601) 2.952 3.639 ( -1.068 -1.257 -0.057) 1.650 3.926 ( -4.077 0.639 0.249) 4.134 3.972 ( -5.766 -3.312 -0.766) 6.693 4.085 ( -3.862 4.282 1.906) 6.073 4.144 ( -1.448 -2.043 2.806) 3.761 4.287 ( -8.060 2.068 -3.806) 9.151 4.339 ( -7.203 -2.382 -3.174) 8.224 4.755 ( -8.441 1.864 1.145) 8.720 4.788 ( -7.079 -1.239 0.132) 7.188 5.010 ( 7.328 0.869 5.823) 9.400 5.068 ( 4.488 -4.037 6.331) 8.748 5.502 ( 6.151 5.218 0.135) 8.067 5.591 ( 3.805 -3.550 -1.274) 5.357 6.362 ( 5.828 6.856 -1.496) 9.122 6.447 ( 4.855 -1.345 -4.263) 6.600 6.858 ( 2.135 5.005 1.693) 5.699 6.935 ( 1.850 -2.198 -4.204) 5.092 10.022 ( 1.896 1.225 -0.781) 2.388 10.039 ( 1.859 -0.491 -0.538) 1.997 10.369 ( 5.036 -0.896 0.827) 5.181 10.395 ( 4.580 -3.269 0.362) 5.638 11.289 ( 0.315 0.349 0.645) 0.798 11.345 ( -0.768 -5.826 0.200) 5.880 12.021 ( 2.094 2.296 0.349) 3.127 12.061 ( 2.673 -1.835 -1.508) 3.575 13.344 ( -1.060 2.002 6.449) 6.836 13.370 ( -1.622 -0.366 7.101) 7.293 13.870 ( -2.963 3.987 -7.990) 9.408 13.936 ( -3.883 -2.164 -10.261) 11.182 14.538 ( -1.147 0.706 2.139) 2.528 14.554 ( -1.594 -1.082 1.662) 2.545 14.998 ( 1.279 3.746 0.635) 4.009 15.069 ( 0.130 -3.254 0.532) 3.299 ======================= Grid point 70 (38/56) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.807 ( -5.091 3.582 -3.671) 7.227 0.841 ( -1.366 1.351 -3.957) 4.399 0.930 ( 1.202 4.164 -0.056) 4.335 1.006 ( -0.797 -2.287 2.316) 3.351 1.100 ( -1.247 4.743 -3.347) 5.937 1.157 ( 2.474 2.597 1.185) 3.778 1.184 ( 2.459 0.130 0.004) 2.463 1.203 ( 0.617 0.990 1.780) 2.128 1.261 ( 4.402 6.198 -2.834) 8.113 1.281 ( 0.784 2.988 0.300) 3.104 1.345 ( 3.158 -2.381 0.371) 3.972 1.386 ( 3.580 -4.329 4.100) 6.955 1.426 ( 0.884 -1.381 2.053) 2.627 1.464 ( 0.031 -2.972 -0.184) 2.978 1.474 ( 0.180 0.291 1.263) 1.309 1.512 ( -2.941 0.711 -2.627) 4.007 1.554 ( -0.634 -2.247 0.877) 2.494 1.578 ( -4.769 -1.372 -0.082) 4.963 1.628 ( -0.142 1.373 0.805) 1.598 1.660 ( -3.250 1.690 -4.034) 5.449 1.683 ( -0.762 -1.645 -1.029) 2.084 1.720 ( -1.942 -2.690 -0.933) 3.446 1.788 ( 1.375 1.583 -0.257) 2.113 1.831 ( -2.405 -2.148 -1.872) 3.729 1.870 ( 0.532 2.564 2.727) 3.781 1.896 ( 0.462 0.865 3.339) 3.480 1.955 ( 1.433 0.818 -0.506) 1.726 1.985 ( -1.146 -1.549 0.051) 1.927 2.025 ( 1.091 2.411 1.640) 3.114 2.099 ( -1.220 -4.622 0.347) 4.792 2.161 ( -1.780 1.037 -1.446) 2.517 2.185 ( -2.995 -0.558 -1.653) 3.466 2.245 ( -0.108 3.575 0.030) 3.577 2.312 ( 0.586 -2.731 -2.657) 3.855 2.330 ( 0.803 2.885 -1.205) 3.228 2.335 ( 0.389 0.801 -2.582) 2.731 2.354 ( 3.069 -0.323 0.184) 3.091 2.396 ( 0.408 -2.136 0.233) 2.187 2.517 ( 1.591 3.168 3.842) 5.227 2.572 ( 0.237 -2.814 3.046) 4.154 2.632 ( 3.389 0.272 0.156) 3.403 2.681 ( 2.458 -3.030 -0.387) 3.921 2.795 ( -1.759 1.124 -1.667) 2.672 2.846 ( -1.154 -3.172 -2.163) 4.009 2.915 ( -1.731 0.491 0.656) 1.916 2.933 ( -2.151 -1.137 1.151) 2.691 3.397 ( 0.804 -0.415 -0.428) 1.001 3.419 ( -0.164 -2.101 -0.794) 2.252 3.481 ( 0.430 -0.018 2.374) 2.413 3.502 ( 2.898 -2.153 1.905) 4.082 3.585 ( -1.660 1.659 -0.001) 2.347 3.621 ( -0.470 -1.475 -0.300) 1.577 3.899 ( 0.268 -0.433 0.805) 0.953 3.919 ( 2.243 -2.413 1.024) 3.450 4.037 ( -1.032 4.682 0.757) 4.854 4.102 ( -4.115 -1.038 -0.525) 4.277 4.230 ( 3.949 0.497 -0.143) 3.983 4.286 ( 2.515 -4.154 -1.255) 5.016 4.593 ( -6.218 1.668 -2.618) 6.950 4.617 ( -6.378 -0.285 -3.901) 7.482 5.180 ( 5.636 -1.356 8.956) 10.669 5.182 ( 4.473 -1.365 10.114) 11.143 5.543 ( -1.894 4.490 -1.901) 5.231 5.615 ( -0.865 -2.654 -2.828) 3.974 6.413 ( -0.781 6.126 -1.501) 6.356 6.493 ( 0.168 -1.833 -4.451) 4.816 6.873 ( -0.991 6.816 0.916) 6.949 6.967 ( 1.503 -2.340 -2.838) 3.973 10.047 ( 0.388 1.234 -0.603) 1.427 10.062 ( 0.213 -0.205 -0.625) 0.691 10.419 ( -0.479 -0.942 0.822) 1.339 10.449 ( 0.661 -3.835 0.729) 3.959 11.304 ( 0.716 -1.004 0.653) 1.396 11.328 ( -1.256 -4.225 -0.490) 4.435 12.042 ( -0.271 2.573 0.324) 2.608 12.089 ( 0.099 -2.268 -1.480) 2.710 13.337 ( -0.683 1.381 6.709) 6.884 13.355 ( -0.947 -0.200 7.095) 7.160 13.834 ( 1.216 3.666 -8.306) 9.161 13.894 ( 1.956 -1.748 -9.916) 10.257 14.525 ( -0.506 0.865 2.138) 2.362 14.534 ( -0.381 -0.290 1.439) 1.517 15.019 ( 0.308 1.913 1.321) 2.345 15.057 ( -1.184 -1.714 0.011) 2.083 ======================= Grid point 71 (39/56) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.721 ( -1.610 7.884 -0.869) 8.094 0.832 ( 1.090 -1.601 -0.738) 2.073 0.943 ( -3.355 3.026 1.808) 4.866 0.978 ( -1.417 -1.281 1.841) 2.653 1.037 ( 0.194 5.100 -1.230) 5.249 1.162 ( -2.605 -4.436 -1.026) 5.246 1.223 ( 1.027 1.111 -0.449) 1.578 1.239 ( 2.725 -0.809 1.144) 3.064 1.318 ( 3.076 6.060 -0.221) 6.799 1.350 ( 0.878 3.746 -0.583) 3.891 1.387 ( -4.710 2.109 -5.342) 7.428 1.420 ( -1.613 -1.389 -1.487) 2.596 1.431 ( -1.003 3.400 0.838) 3.643 1.440 ( 0.688 3.093 2.796) 4.226 1.481 ( 0.877 -1.318 -0.198) 1.595 1.493 ( 0.732 -2.280 -0.909) 2.561 1.511 ( -1.631 -4.316 2.648) 5.319 1.525 ( 0.545 0.244 -1.099) 1.250 1.606 ( 0.275 -3.232 -1.011) 3.397 1.645 ( -0.128 -3.717 -1.385) 3.968 1.670 ( 3.164 -0.443 -0.488) 3.231 1.691 ( 0.696 -0.471 0.755) 1.129 1.764 ( -2.538 1.017 -0.436) 2.769 1.782 ( -2.131 -0.939 0.812) 2.466 1.864 ( -2.166 5.418 3.351) 6.729 1.902 ( 0.740 0.637 1.780) 2.030 1.933 ( -2.033 1.368 -0.467) 2.495 2.014 ( 1.716 -3.084 0.168) 3.534 2.048 ( -1.942 -1.827 1.239) 2.940 2.080 ( -0.389 -2.366 0.052) 2.398 2.114 ( -2.594 2.360 0.502) 3.543 2.177 ( 2.583 -2.395 -0.292) 3.535 2.261 ( -1.806 0.328 -4.938) 5.268 2.267 ( 2.544 0.305 -1.130) 2.800 2.371 ( 2.972 -0.465 -2.978) 4.232 2.380 ( 1.559 0.015 -2.298) 2.777 2.403 ( 0.522 0.163 -0.185) 0.577 2.434 ( 3.217 -2.294 0.302) 3.963 2.583 ( 2.819 2.523 3.832) 5.385 2.592 ( 0.835 1.775 -0.173) 1.969 2.708 ( 3.196 1.265 2.457) 4.225 2.724 ( 2.074 2.149 -2.422) 3.845 2.771 ( 0.665 -3.024 3.543) 4.705 2.807 ( -2.370 -4.371 -2.519) 5.574 2.885 ( -0.695 1.374 0.959) 1.814 2.921 ( 0.834 -2.181 0.302) 2.354 3.396 ( -0.806 0.184 -1.593) 1.795 3.430 ( -0.205 -3.183 -1.172) 3.398 3.518 ( 1.650 2.143 3.453) 4.386 3.538 ( 1.558 0.780 0.191) 1.752 3.582 ( 1.200 -0.959 0.839) 1.750 3.619 ( 1.059 -3.842 -0.665) 4.041 3.956 ( 3.975 0.052 0.556) 4.014 3.978 ( 4.414 -2.131 -0.616) 4.940 4.102 ( 6.168 2.754 3.113) 7.438 4.103 ( 5.078 2.395 1.873) 5.919 4.299 ( 1.382 -1.785 -2.815) 3.609 4.326 ( -0.581 -4.726 -5.961) 7.629 4.577 ( 7.350 3.388 3.686) 8.893 4.622 ( 7.322 -1.149 2.612) 7.858 5.226 ( -1.279 1.867 4.986) 5.476 5.272 ( 0.630 -2.651 6.537) 7.082 5.446 ( -6.202 5.065 -0.054) 8.007 5.549 ( -4.723 -5.049 -3.417) 7.712 6.323 ( -7.570 7.385 -1.994) 10.762 6.431 ( -5.582 -3.307 -4.012) 7.628 6.831 ( -2.630 9.790 0.182) 10.138 6.981 ( 0.452 -5.207 -2.707) 5.886 10.033 ( -1.476 1.056 -0.609) 1.915 10.045 ( -1.490 -0.142 -0.741) 1.670 10.359 ( -5.217 -0.059 0.683) 5.262 10.415 ( -4.436 -5.867 0.484) 7.371 11.284 ( -1.635 0.366 0.487) 1.745 11.330 ( 1.285 -3.960 0.409) 4.183 12.012 ( -2.419 2.623 0.173) 3.572 12.060 ( -2.411 -2.378 -1.327) 3.638 13.342 ( 0.052 1.347 6.523) 6.661 13.357 ( 0.069 -0.020 6.323) 6.323 13.889 ( 5.050 4.902 -7.901) 10.581 13.978 ( 7.203 -3.418 -10.239) 12.977 14.524 ( 0.094 1.451 2.202) 2.639 14.544 ( 0.907 -0.490 2.107) 2.345 15.003 ( -1.833 1.643 0.828) 2.597 15.036 ( -0.893 -1.305 0.419) 1.636 ======================= Grid point 72 (40/56) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 1.410 10.569 3.830) 11.329 0.848 ( -4.040 5.971 5.450) 9.037 0.869 ( 1.986 -0.351 0.048) 2.017 0.966 ( 0.292 -6.022 1.838) 6.303 1.102 ( 3.697 -0.505 -1.486) 4.017 1.125 ( -0.266 -2.578 1.741) 3.122 1.207 ( -2.489 2.272 -5.425) 6.387 1.235 ( -3.805 -0.132 -4.433) 5.843 1.276 ( -1.878 2.828 -2.451) 4.187 1.295 ( -0.711 2.090 -1.634) 2.747 1.341 ( -2.296 2.777 -0.288) 3.615 1.389 ( -2.416 -1.188 0.080) 2.693 1.412 ( 0.376 2.227 -0.732) 2.374 1.436 ( -2.371 4.608 2.118) 5.598 1.484 ( -0.972 -0.386 5.432) 5.532 1.494 ( 2.041 -1.558 -0.270) 2.582 1.553 ( 2.920 -0.757 2.439) 3.879 1.564 ( 0.528 -4.039 -1.825) 4.463 1.602 ( -0.759 1.122 -1.935) 2.362 1.673 ( -2.584 1.980 1.406) 3.546 1.678 ( 1.111 -1.472 0.251) 1.861 1.728 ( -0.159 -0.541 0.275) 0.628 1.758 ( 3.584 1.348 0.946) 3.944 1.806 ( 6.245 -3.014 -3.057) 7.578 1.844 ( 1.074 5.105 0.496) 5.241 1.911 ( 0.384 -0.077 0.340) 0.519 1.939 ( 0.588 1.307 1.838) 2.330 2.000 ( -2.895 -4.367 0.842) 5.306 2.009 ( -2.237 -2.121 -1.925) 3.634 2.019 ( -0.280 -5.333 3.239) 6.246 2.142 ( 1.841 3.680 0.286) 4.125 2.201 ( -1.814 -2.064 -0.625) 2.818 2.235 ( 1.053 2.841 -2.622) 4.006 2.299 ( -0.352 -1.608 -1.526) 2.245 2.373 ( -2.299 -0.406 -5.572) 6.042 2.394 ( 0.430 1.967 -1.890) 2.762 2.434 ( 2.501 -1.064 -2.511) 3.700 2.465 ( 0.536 -4.505 0.574) 4.573 2.564 ( -1.596 5.242 -2.414) 5.988 2.644 ( 0.794 -1.150 0.147) 1.405 2.740 ( 0.452 0.814 1.102) 1.443 2.759 ( -0.502 -2.142 1.867) 2.885 2.816 ( 4.018 -0.166 3.369) 5.246 2.824 ( 3.165 -0.931 4.908) 5.913 2.891 ( 1.210 2.387 -0.996) 2.855 2.945 ( 0.934 -2.543 -0.986) 2.883 3.367 ( -1.421 -0.253 -1.481) 2.068 3.390 ( -2.466 -2.351 -1.267) 3.636 3.550 ( 1.241 1.782 2.892) 3.617 3.579 ( 1.554 -1.713 0.583) 2.386 3.623 ( 2.156 -0.396 -0.041) 2.192 3.644 ( 1.069 -2.791 -0.167) 2.993 4.072 ( 6.882 1.168 -0.288) 6.986 4.106 ( 6.157 -1.355 -0.419) 6.318 4.234 ( 4.692 1.834 2.444) 5.599 4.258 ( 7.435 4.810 1.888) 9.054 4.287 ( 1.732 -1.727 -0.174) 2.452 4.371 ( 5.956 -6.356 1.720) 8.879 4.781 ( 7.260 3.812 4.620) 9.412 4.825 ( 8.424 -0.632 1.929) 8.665 5.144 ( -4.811 4.556 -2.030) 6.931 5.208 ( -5.295 0.012 0.516) 5.320 5.346 ( -4.453 0.930 1.964) 4.955 5.450 ( -3.839 -7.416 -0.135) 8.352 6.129 ( -9.264 9.334 -0.966) 13.186 6.274 ( -7.800 -4.755 -2.898) 9.584 6.786 ( -1.504 11.241 -0.451) 11.350 6.977 ( -0.377 -8.025 -4.391) 9.155 10.005 ( -0.670 0.655 -0.631) 1.130 10.015 ( -0.870 -0.400 -0.765) 1.226 10.230 ( -6.578 0.040 0.580) 6.604 10.279 ( -7.697 -5.181 -0.100) 9.279 11.278 ( 0.739 3.214 2.384) 4.069 11.367 ( 2.088 -5.756 0.136) 6.125 11.959 ( -2.256 2.279 -0.054) 3.208 12.000 ( -2.794 -1.922 -1.169) 3.587 13.357 ( 0.228 1.788 6.137) 6.396 13.376 ( 0.632 0.060 5.767) 5.801 13.980 ( 4.177 6.402 -7.553) 10.746 14.106 ( 5.751 -6.072 -11.570) 14.276 14.538 ( 0.831 1.864 3.153) 3.756 14.576 ( 1.704 -1.762 3.271) 4.087 14.972 ( -0.708 2.501 -0.124) 2.602 15.011 ( -1.596 -1.263 0.525) 2.101 ======================= Grid point 91 (41/56) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.571 ( -2.566 0.000 -7.301) 7.739 0.571 ( 2.566 0.000 7.301) 7.739 0.662 ( 0.654 0.000 -7.450) 7.479 0.662 ( -0.654 0.000 7.450) 7.479 1.023 ( -1.090 0.000 -8.802) 8.869 1.023 ( 1.090 0.000 8.802) 8.869 1.139 ( 0.099 0.000 -8.263) 8.264 1.139 ( -0.099 0.000 8.263) 8.264 1.204 ( -1.700 0.000 -3.171) 3.598 1.204 ( 1.700 0.000 3.171) 3.598 1.301 ( 1.283 0.000 -3.030) 3.290 1.301 ( -1.283 0.000 3.030) 3.290 1.381 ( 2.764 0.000 -2.218) 3.544 1.381 ( -2.764 0.000 2.218) 3.544 1.490 ( 1.214 0.000 -0.413) 1.282 1.490 ( -1.214 0.000 0.413) 1.282 1.541 ( 4.379 0.000 -1.770) 4.723 1.541 ( -4.379 0.000 1.770) 4.723 1.635 ( 0.396 0.000 -1.502) 1.553 1.635 ( -0.396 0.000 1.502) 1.553 1.712 ( -0.125 0.000 -7.891) 7.892 1.712 ( 0.125 0.000 7.891) 7.892 1.772 ( 3.561 0.000 -5.295) 6.381 1.772 ( -3.561 0.000 5.295) 6.381 1.895 ( -2.181 0.000 0.239) 2.194 1.895 ( 2.181 0.000 -0.239) 2.194 1.991 ( 0.960 0.000 -5.198) 5.286 1.991 ( -0.960 0.000 5.198) 5.286 2.021 ( -3.487 0.000 -1.856) 3.950 2.021 ( 3.487 0.000 1.856) 3.950 2.245 ( -0.064 0.000 -2.354) 2.355 2.245 ( 0.064 0.000 2.354) 2.355 2.274 ( -3.299 0.000 0.856) 3.408 2.274 ( 3.299 0.000 -0.856) 3.408 2.418 ( 0.315 0.000 -2.292) 2.314 2.418 ( -0.315 0.000 2.292) 2.314 2.565 ( -2.275 0.000 0.733) 2.390 2.565 ( 2.275 0.000 -0.733) 2.390 2.675 ( -4.757 0.000 0.899) 4.841 2.675 ( 4.757 0.000 -0.899) 4.841 2.757 ( 1.872 0.000 -1.756) 2.566 2.757 ( -1.872 0.000 1.756) 2.566 2.840 ( 1.355 0.000 -0.596) 1.480 2.840 ( -1.355 0.000 0.596) 1.480 2.940 ( -3.418 0.000 -3.022) 4.563 2.940 ( 3.418 0.000 3.022) 4.563 3.489 ( 1.424 0.000 -0.849) 1.658 3.489 ( -1.424 0.000 0.849) 1.658 3.634 ( -3.168 0.000 -4.911) 5.844 3.634 ( 3.168 0.000 4.911) 5.844 3.842 ( 3.462 0.000 -1.321) 3.705 3.842 ( -3.462 0.000 1.321) 3.705 3.966 ( 2.343 0.000 -2.018) 3.092 3.966 ( -2.343 0.000 2.018) 3.092 4.243 ( -1.433 0.000 -0.014) 1.433 4.243 ( 1.433 0.000 0.014) 1.433 4.597 ( -1.786 0.000 -5.655) 5.930 4.597 ( 1.786 0.000 5.655) 5.930 4.851 ( -5.512 0.000 -5.661) 7.901 4.851 ( 5.512 0.000 5.661) 7.901 5.149 ( -11.343 0.000 -7.621) 13.665 5.149 ( 11.343 0.000 7.621) 13.665 5.629 ( 0.608 0.000 -2.945) 3.007 5.629 ( -0.608 0.000 2.945) 3.007 5.801 ( -5.027 0.000 -6.655) 8.341 5.801 ( 5.027 0.000 6.655) 8.341 6.501 ( -10.879 0.000 -1.742) 11.018 6.501 ( 10.879 0.000 1.742) 11.018 10.066 ( -3.609 0.000 0.477) 3.640 10.066 ( 3.609 0.000 -0.477) 3.640 10.318 ( -0.577 0.000 -4.586) 4.622 10.318 ( 0.577 0.000 4.586) 4.622 11.625 ( 10.408 0.000 -3.864) 11.102 11.625 ( -10.408 0.000 3.864) 11.102 11.901 ( 2.179 0.000 -4.062) 4.609 11.901 ( -2.179 0.000 4.062) 4.609 13.414 ( 0.346 0.000 -8.053) 8.061 13.414 ( -0.346 0.000 8.053) 8.061 13.844 ( -2.596 0.000 -1.450) 2.973 13.844 ( 2.596 0.000 1.450) 2.973 14.677 ( -0.395 0.000 -6.137) 6.150 14.677 ( 0.395 0.000 6.137) 6.150 14.861 ( -8.319 0.000 1.401) 8.436 14.861 ( 8.319 0.000 -1.401) 8.436 ======================= Grid point 93 (42/56) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -7.094 0.000 -15.586) 17.125 0.529 ( -0.416 0.000 0.351) 0.545 0.643 ( 1.693 0.000 -1.573) 2.310 0.679 ( 4.274 0.000 12.540) 13.248 1.058 ( -0.375 0.000 1.080) 1.143 1.100 ( -2.668 0.000 0.938) 2.828 1.110 ( -7.054 0.000 -5.166) 8.744 1.156 ( 11.299 0.000 -8.702) 14.262 1.194 ( 2.923 0.000 1.886) 3.478 1.228 ( 0.876 0.000 -4.712) 4.793 1.270 ( -3.640 0.000 5.068) 6.239 1.301 ( -3.456 0.000 -0.970) 3.590 1.351 ( 1.780 0.000 -5.581) 5.858 1.368 ( 3.319 0.000 7.668) 8.355 1.484 ( -0.039 0.000 0.271) 0.274 1.544 ( 3.955 0.000 4.674) 6.123 1.592 ( 5.301 0.000 1.543) 5.521 1.625 ( -7.658 0.000 8.303) 11.295 1.626 ( -0.997 0.000 -0.630) 1.179 1.642 ( 2.718 0.000 -3.826) 4.693 1.689 ( 3.793 0.000 5.769) 6.904 1.713 ( 2.083 0.000 -6.847) 7.157 1.769 ( 3.111 0.000 4.604) 5.557 1.815 ( 1.552 0.000 -3.905) 4.202 1.859 ( -0.347 0.000 -2.317) 2.343 1.890 ( -4.830 0.000 0.411) 4.848 1.905 ( -0.316 0.000 -6.539) 6.546 1.980 ( -0.061 0.000 0.901) 0.904 2.032 ( 0.725 0.000 5.236) 5.286 2.079 ( -0.096 0.000 4.490) 4.491 2.208 ( -3.097 0.000 1.902) 3.634 2.222 ( -3.722 0.000 1.167) 3.900 2.272 ( 1.827 0.000 -5.490) 5.786 2.345 ( 0.937 0.000 -3.784) 3.899 2.360 ( -2.910 0.000 -0.501) 2.952 2.362 ( -1.376 0.000 -0.737) 1.561 2.488 ( -5.461 0.000 2.524) 6.016 2.557 ( -3.022 0.000 -0.248) 3.032 2.600 ( -5.270 0.000 3.572) 6.367 2.699 ( -1.640 0.000 -3.384) 3.761 2.704 ( 1.076 0.000 1.740) 2.046 2.808 ( 2.123 0.000 -3.664) 4.234 2.847 ( 1.295 0.000 3.232) 3.481 2.853 ( -4.389 0.000 -2.116) 4.872 2.927 ( 4.786 0.000 0.057) 4.786 3.015 ( 3.165 0.000 1.815) 3.649 3.492 ( 1.115 0.000 0.537) 1.238 3.536 ( 0.347 0.000 -3.056) 3.075 3.599 ( 3.748 0.000 -2.739) 4.642 3.691 ( 1.052 0.000 2.132) 2.378 3.725 ( -7.460 0.000 -0.852) 7.509 3.863 ( -1.688 0.000 -1.469) 2.238 3.915 ( -1.777 0.000 3.307) 3.754 4.008 ( 2.074 0.000 2.181) 3.009 4.133 ( -6.921 0.000 -0.206) 6.924 4.162 ( -6.490 0.000 0.699) 6.527 4.478 ( -9.826 0.000 -3.660) 10.486 4.543 ( -8.479 0.000 4.128) 9.431 4.632 ( -11.285 0.000 -12.823) 17.082 4.889 ( -3.607 0.000 9.309) 9.983 5.093 ( 7.991 0.000 -3.210) 8.611 5.323 ( 5.951 0.000 7.013) 9.198 5.630 ( -0.758 0.000 0.719) 1.045 5.645 ( -3.116 0.000 -9.855) 10.336 5.833 ( 11.307 0.000 -6.312) 12.949 5.945 ( 6.529 0.000 4.358) 7.850 6.395 ( 1.100 0.000 2.369) 2.612 6.723 ( 7.106 0.000 4.171) 8.239 9.957 ( -3.474 0.000 1.812) 3.918 10.021 ( -3.068 0.000 -1.748) 3.531 10.452 ( 8.881 0.000 -2.015) 9.107 10.579 ( 15.802 0.000 16.634) 22.943 11.393 ( -8.716 0.000 -5.018) 10.057 11.704 ( -0.603 0.000 -8.292) 8.314 11.946 ( 5.018 0.000 0.858) 5.091 11.968 ( 4.057 0.000 -3.598) 5.422 13.409 ( 0.489 0.000 -7.392) 7.408 13.420 ( -0.527 0.000 8.525) 8.541 13.745 ( -5.794 0.000 2.351) 6.253 13.810 ( -5.510 0.000 -3.533) 6.545 14.568 ( -5.492 0.000 0.486) 5.513 14.607 ( -3.146 0.000 -6.024) 6.796 14.858 ( 3.731 0.000 3.125) 4.867 15.020 ( 4.954 0.000 -5.824) 7.646 ======================= Grid point 94 (43/56) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.439 ( 2.602 0.000 -6.995) 7.463 0.570 ( 3.413 0.000 -3.112) 4.618 0.724 ( 5.258 0.000 -4.908) 7.193 0.780 ( 2.310 0.000 10.791) 11.036 0.951 ( -6.029 0.000 0.314) 6.037 1.034 ( -2.735 0.000 4.535) 5.296 1.084 ( 4.021 0.000 -4.323) 5.904 1.147 ( -6.151 0.000 1.437) 6.317 1.188 ( -4.905 0.000 -3.863) 6.244 1.240 ( 1.206 0.000 1.235) 1.726 1.253 ( 2.002 0.000 -2.145) 2.934 1.375 ( 3.155 0.000 1.252) 3.394 1.402 ( -8.471 0.000 7.484) 11.304 1.460 ( 12.434 0.000 -13.476) 18.336 1.465 ( 3.626 0.000 2.881) 4.631 1.550 ( -2.778 0.000 -1.857) 3.341 1.556 ( 1.512 0.000 3.073) 3.425 1.629 ( -2.064 0.000 -3.767) 4.295 1.631 ( -0.336 0.000 -1.666) 1.699 1.714 ( 5.016 0.000 5.309) 7.304 1.761 ( 1.440 0.000 -2.034) 2.492 1.774 ( -1.578 0.000 4.626) 4.887 1.811 ( 5.278 0.000 0.783) 5.336 1.817 ( -0.347 0.000 -2.138) 2.166 1.840 ( 0.379 0.000 -2.346) 2.376 1.916 ( 2.458 0.000 -5.257) 5.803 1.958 ( 7.583 0.000 2.849) 8.100 1.996 ( 0.267 0.000 3.571) 3.581 2.044 ( -1.513 0.000 3.286) 3.618 2.054 ( -1.464 0.000 6.268) 6.437 2.112 ( -4.240 0.000 0.543) 4.275 2.160 ( -1.209 0.000 0.471) 1.297 2.217 ( -4.098 0.000 -5.874) 7.162 2.254 ( -5.157 0.000 1.654) 5.416 2.362 ( -0.076 0.000 2.115) 2.116 2.376 ( -3.763 0.000 -0.575) 3.807 2.428 ( 1.967 0.000 -2.485) 3.170 2.463 ( -5.121 0.000 0.168) 5.124 2.546 ( 1.006 0.000 2.994) 3.159 2.660 ( -1.474 0.000 -3.864) 4.136 2.729 ( -2.159 0.000 1.067) 2.409 2.747 ( -4.242 0.000 -2.863) 5.118 2.808 ( 2.572 0.000 0.463) 2.614 2.914 ( 1.750 0.000 -1.006) 2.019 3.004 ( 2.584 0.000 -0.126) 2.587 3.047 ( -0.128 0.000 0.501) 0.517 3.519 ( 0.730 0.000 0.773) 1.064 3.526 ( 0.013 0.000 -2.962) 2.962 3.584 ( -3.779 0.000 -1.618) 4.111 3.674 ( -2.746 0.000 1.690) 3.225 3.713 ( 4.862 0.000 -0.628) 4.902 3.779 ( -3.400 0.000 1.478) 3.707 3.947 ( 2.747 0.000 -2.617) 3.794 4.015 ( -3.828 0.000 1.073) 3.975 4.040 ( -1.628 0.000 2.309) 2.825 4.096 ( 0.202 0.000 4.479) 4.484 4.221 ( -10.070 0.000 -7.294) 12.434 4.330 ( -10.226 0.000 1.191) 10.295 4.476 ( -2.523 0.000 -3.544) 4.350 4.760 ( -9.814 0.000 6.558) 11.803 5.305 ( 10.718 0.000 -3.431) 11.253 5.451 ( 4.217 0.000 5.824) 7.190 5.575 ( -1.492 0.000 -3.676) 3.967 5.609 ( -1.224 0.000 0.087) 1.227 6.011 ( 5.630 0.000 -5.708) 8.017 6.044 ( 2.450 0.000 2.503) 3.502 6.510 ( 8.170 0.000 1.414) 8.292 6.772 ( -1.966 0.000 0.853) 2.143 9.941 ( 0.890 0.000 2.072) 2.255 9.988 ( -0.481 0.000 -1.994) 2.051 10.606 ( 6.266 0.000 -1.162) 6.373 10.777 ( -0.410 0.000 11.477) 11.485 11.376 ( 6.982 0.000 3.886) 7.990 11.651 ( -2.679 0.000 -10.290) 10.633 12.032 ( 2.871 0.000 -0.439) 2.904 12.034 ( 2.643 0.000 -2.730) 3.800 13.411 ( 0.868 0.000 -7.004) 7.058 13.421 ( -0.745 0.000 8.407) 8.440 13.649 ( -3.924 0.000 6.455) 7.554 13.679 ( -4.480 0.000 -9.864) 10.834 14.524 ( -0.416 0.000 3.866) 3.889 14.552 ( -1.223 0.000 -5.457) 5.592 14.937 ( 3.239 0.000 3.230) 4.574 15.046 ( -0.653 0.000 -5.070) 5.112 ======================= Grid point 95 (44/56) ======================= q-point: ( 0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 28 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -5.450 0.000 -4.905) 7.332 0.551 ( 5.450 0.000 4.905) 7.332 0.784 ( 2.473 0.000 -8.072) 8.442 0.784 ( -2.473 0.000 8.072) 8.442 0.965 ( -5.803 0.000 -1.384) 5.966 0.965 ( 5.803 0.000 1.384) 5.966 1.093 ( -2.793 0.000 -2.356) 3.654 1.093 ( 2.793 0.000 2.356) 3.654 1.214 ( 8.789 0.000 -5.204) 10.214 1.214 ( -8.789 0.000 5.204) 10.214 1.264 ( -0.906 0.000 0.124) 0.914 1.264 ( 0.906 0.000 -0.124) 0.914 1.465 ( -4.396 0.000 -2.006) 4.832 1.465 ( 4.396 0.000 2.006) 4.832 1.540 ( -2.362 0.000 -4.537) 5.115 1.540 ( 2.362 0.000 4.537) 5.115 1.601 ( -1.857 0.000 -4.094) 4.495 1.601 ( 1.857 0.000 4.094) 4.495 1.705 ( -6.238 0.000 0.824) 6.292 1.705 ( 6.238 0.000 -0.824) 6.292 1.754 ( 1.519 0.000 -4.171) 4.439 1.754 ( -1.519 0.000 4.171) 4.439 1.833 ( -0.881 0.000 -0.761) 1.164 1.833 ( 0.881 0.000 0.761) 1.164 1.928 ( -0.801 0.000 -2.844) 2.954 1.928 ( 0.801 0.000 2.844) 2.954 1.972 ( 0.693 0.000 -1.619) 1.761 1.972 ( -0.693 0.000 1.619) 1.761 2.071 ( -0.439 0.000 -1.607) 1.666 2.071 ( 0.439 0.000 1.607) 1.666 2.113 ( -2.762 0.000 -3.288) 4.294 2.113 ( 2.762 0.000 3.288) 4.294 2.185 ( 1.896 0.000 -0.840) 2.074 2.185 ( -1.896 0.000 0.840) 2.074 2.344 ( 2.101 0.000 -1.692) 2.697 2.344 ( -2.101 0.000 1.692) 2.697 2.418 ( -1.828 0.000 -4.788) 5.125 2.418 ( 1.828 0.000 4.788) 5.125 2.615 ( -3.554 0.000 -1.775) 3.972 2.615 ( 3.554 0.000 1.775) 3.972 2.686 ( 0.549 0.000 -2.550) 2.608 2.686 ( -0.549 0.000 2.550) 2.608 2.889 ( -3.476 0.000 -2.183) 4.104 2.889 ( 3.476 0.000 2.183) 4.104 3.036 ( 0.843 0.000 -0.407) 0.936 3.036 ( -0.843 0.000 0.407) 0.936 3.510 ( 0.543 0.000 -0.640) 0.840 3.510 ( -0.543 0.000 0.640) 0.840 3.607 ( 3.626 0.000 -2.366) 4.329 3.607 ( -3.626 0.000 2.366) 4.329 3.769 ( 0.249 0.000 -0.727) 0.769 3.769 ( -0.249 0.000 0.727) 0.769 3.957 ( -2.923 0.000 -0.293) 2.938 3.957 ( 2.923 0.000 0.293) 2.938 4.044 ( 3.575 0.000 -1.410) 3.843 4.044 ( -3.575 0.000 1.410) 3.843 4.188 ( -3.519 0.000 0.032) 3.519 4.188 ( 3.519 0.000 -0.032) 3.519 4.552 ( -9.405 0.000 1.654) 9.550 4.552 ( 9.405 0.000 -1.654) 9.550 5.461 ( 4.460 0.000 -4.451) 6.302 5.461 ( -4.460 0.000 4.451) 6.302 5.579 ( -1.625 0.000 0.319) 1.656 5.579 ( 1.625 0.000 -0.319) 1.656 6.062 ( 0.817 0.000 -2.571) 2.698 6.062 ( -0.817 0.000 2.571) 2.698 6.676 ( -6.944 0.000 -0.504) 6.962 6.676 ( 6.944 0.000 0.504) 6.962 9.971 ( -1.115 0.000 -2.125) 2.400 9.971 ( 1.115 0.000 2.125) 2.400 10.714 ( 4.833 0.000 -2.477) 5.431 10.714 ( -4.833 0.000 2.477) 5.431 11.546 ( -6.126 0.000 -11.542) 13.067 11.546 ( 6.126 0.000 11.542) 13.067 12.060 ( 0.128 0.000 -1.114) 1.121 12.060 ( -0.128 0.000 1.114) 1.121 13.418 ( 0.942 0.000 -7.508) 7.567 13.418 ( -0.942 0.000 7.508) 7.567 13.618 ( 0.179 0.000 -9.470) 9.472 13.618 ( -0.179 0.000 9.470) 9.472 14.531 ( -0.154 0.000 -5.134) 5.136 14.531 ( 0.154 0.000 5.134) 5.136 15.002 ( -2.518 0.000 -3.857) 4.607 15.002 ( 2.518 0.000 3.857) 4.607 ======================= Grid point 99 (45/56) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( -0.980 4.652 -2.478) 5.361 0.624 ( 0.980 4.652 2.478) 5.361 0.714 ( 1.890 5.152 -1.554) 5.704 0.714 ( -1.890 5.152 1.554) 5.704 1.051 ( -0.969 2.563 -4.913) 5.625 1.051 ( 0.969 2.563 4.913) 5.625 1.135 ( -1.443 -0.346 -7.071) 7.225 1.135 ( 1.443 -0.346 7.071) 7.225 1.207 ( -2.107 0.404 -1.072) 2.398 1.207 ( 2.107 0.404 1.072) 2.398 1.348 ( -1.279 4.327 -4.938) 6.689 1.348 ( 1.279 4.327 4.938) 6.689 1.389 ( -3.444 1.258 -0.407) 3.690 1.389 ( 3.444 1.258 0.407) 3.690 1.524 ( -1.216 1.928 -1.925) 2.983 1.524 ( 1.216 1.928 1.925) 2.983 1.558 ( 1.370 1.723 -3.191) 3.876 1.558 ( -1.370 1.723 3.191) 3.876 1.630 ( 1.307 -0.856 -1.353) 2.067 1.630 ( -1.307 -0.856 1.353) 2.067 1.696 ( -0.062 -0.017 -4.895) 4.896 1.696 ( 0.062 -0.017 4.895) 4.896 1.733 ( 0.723 -3.781 -3.912) 5.489 1.733 ( -0.723 -3.781 3.912) 5.489 1.867 ( 2.343 -1.175 -2.808) 3.841 1.867 ( -2.343 -1.175 2.808) 3.841 1.974 ( 0.271 -0.947 -2.836) 3.002 1.974 ( -0.271 -0.947 2.836) 3.002 2.058 ( -3.000 1.382 -1.902) 3.812 2.058 ( 3.000 1.382 1.902) 3.812 2.200 ( -0.431 -3.106 -2.456) 3.983 2.200 ( 0.431 -3.106 2.456) 3.983 2.285 ( 1.745 -0.663 -1.850) 2.628 2.285 ( -1.745 -0.663 1.850) 2.628 2.409 ( -1.482 0.015 -1.917) 2.423 2.409 ( 1.482 0.015 1.917) 2.423 2.543 ( -0.618 -2.655 -1.891) 3.317 2.543 ( 0.618 -2.655 1.891) 3.317 2.677 ( -1.321 -0.368 0.057) 1.373 2.677 ( 1.321 -0.368 -0.057) 1.373 2.750 ( -5.933 0.369 -0.187) 5.947 2.750 ( 5.933 0.369 0.187) 5.947 2.877 ( -1.520 0.588 -1.778) 2.412 2.877 ( 1.520 0.588 1.778) 2.412 2.915 ( -1.305 -0.320 -1.625) 2.108 2.915 ( 1.305 -0.320 1.625) 2.108 3.452 ( 0.198 -2.847 -0.649) 2.927 3.452 ( -0.198 -2.847 0.649) 2.927 3.648 ( -2.453 0.439 -3.981) 4.697 3.648 ( 2.453 0.439 3.981) 4.697 3.782 ( -0.061 -4.486 -3.419) 5.641 3.782 ( 0.061 -4.486 3.419) 5.641 4.036 ( 1.651 5.137 -1.994) 5.752 4.036 ( -1.651 5.137 1.994) 5.752 4.276 ( -0.227 1.831 -2.354) 2.991 4.276 ( 0.227 1.831 2.354) 2.991 4.561 ( -1.206 -0.971 -3.394) 3.731 4.561 ( 1.206 -0.971 3.394) 3.731 4.823 ( -5.086 -3.214 -5.933) 8.450 4.823 ( 5.086 -3.214 5.933) 8.450 5.152 ( -7.455 -0.346 -6.788) 10.088 5.152 ( 7.455 -0.346 6.788) 10.088 5.450 ( -4.256 -9.706 -7.608) 13.046 5.450 ( 4.256 -9.706 7.608) 13.046 5.910 ( -2.725 6.826 -4.995) 8.886 5.910 ( 2.725 6.826 4.995) 8.886 6.641 ( -6.967 9.937 -11.298) 16.581 6.641 ( 6.967 9.937 11.298) 16.581 10.040 ( -2.743 -2.159 0.822) 3.587 10.040 ( 2.743 -2.159 -0.822) 3.587 10.291 ( -0.576 -2.646 -3.993) 4.825 10.291 ( 0.576 -2.646 3.993) 4.825 11.552 ( -0.203 -6.065 -7.119) 9.354 11.552 ( 0.203 -6.065 7.119) 9.354 11.916 ( 0.233 1.139 -3.337) 3.534 11.916 ( -0.233 1.139 3.337) 3.534 13.398 ( -0.273 -0.322 -4.088) 4.110 13.398 ( 0.273 -0.322 4.088) 4.110 13.892 ( -1.221 3.298 -8.306) 9.020 13.892 ( 1.221 3.298 8.306) 9.020 14.667 ( -1.191 -0.966 -5.484) 5.694 14.667 ( 1.191 -0.966 5.484) 5.694 14.900 ( -8.304 3.208 1.349) 9.003 14.900 ( 8.304 3.208 -1.349) 9.003 ======================= Grid point 101 (46/56) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.556 ( -5.115 4.034 -11.797) 13.476 0.586 ( -1.870 4.769 4.405) 6.756 0.713 ( 1.942 6.686 -5.632) 8.955 0.750 ( 3.523 6.726 10.895) 13.279 1.055 ( 0.187 -0.196 -0.571) 0.632 1.064 ( -3.966 -0.344 -0.563) 4.021 1.160 ( 3.318 0.380 0.222) 3.347 1.190 ( 2.863 1.805 -3.049) 4.555 1.204 ( 1.628 1.707 -0.394) 2.391 1.245 ( 2.025 1.760 -2.508) 3.673 1.289 ( -4.427 2.407 4.459) 6.729 1.321 ( -2.613 2.941 -4.318) 5.841 1.376 ( 3.218 3.761 -1.621) 5.208 1.413 ( 0.329 1.610 -0.384) 1.688 1.503 ( 0.424 1.873 -1.387) 2.369 1.527 ( 1.418 -1.258 3.501) 3.981 1.569 ( -0.058 -2.041 0.079) 2.044 1.604 ( 1.219 -0.903 -0.312) 1.549 1.618 ( -5.316 -1.591 6.116) 8.258 1.644 ( 1.518 1.034 3.567) 4.012 1.710 ( 3.103 0.677 -0.533) 3.220 1.718 ( 2.880 -1.109 -2.890) 4.228 1.746 ( 3.002 -0.845 -0.983) 3.270 1.788 ( 4.753 0.840 2.156) 5.286 1.825 ( -2.797 -3.156 -2.299) 4.803 1.886 ( -0.117 -1.213 2.763) 3.020 1.927 ( -0.081 -0.596 -1.053) 1.213 1.976 ( -1.110 2.452 -3.039) 4.059 2.046 ( 0.888 1.431 2.664) 3.152 2.095 ( -0.704 -0.344 2.386) 2.511 2.194 ( 0.074 -2.203 -0.631) 2.292 2.206 ( -2.620 -1.844 1.235) 3.433 2.256 ( 0.928 -1.863 0.596) 2.165 2.282 ( -3.878 -1.029 -4.195) 5.805 2.370 ( 0.333 1.009 -0.563) 1.203 2.414 ( -1.077 1.738 -0.590) 2.128 2.477 ( -4.347 -1.937 1.856) 5.108 2.530 ( -3.022 -3.341 1.463) 4.736 2.596 ( -5.905 0.242 1.572) 6.116 2.667 ( -0.411 -1.005 -1.999) 2.275 2.738 ( 1.964 -1.344 -0.679) 2.475 2.779 ( -2.021 -0.786 -0.685) 2.274 2.840 ( -1.331 1.250 -2.834) 3.372 2.852 ( -0.719 0.352 0.958) 1.248 2.950 ( 3.087 0.004 2.711) 4.108 2.996 ( 3.554 -1.329 -0.634) 3.847 3.473 ( 1.754 -1.556 0.157) 2.351 3.490 ( 3.663 -5.474 -0.438) 6.601 3.581 ( -2.368 0.845 -4.676) 5.310 3.654 ( -3.584 -2.655 -1.001) 4.571 3.725 ( -1.872 -1.185 2.533) 3.365 3.777 ( -2.829 -6.322 -0.115) 6.927 3.980 ( -3.912 5.531 3.166) 7.478 4.051 ( 0.182 2.206 0.664) 2.311 4.153 ( -7.992 -0.677 -0.773) 8.057 4.225 ( -3.839 6.257 1.407) 7.474 4.411 ( -11.042 -4.428 -3.961) 12.539 4.469 ( -6.076 -2.983 -1.073) 6.853 4.736 ( -7.850 6.201 -7.510) 12.509 4.920 ( -2.169 2.621 7.977) 8.672 5.085 ( 2.195 -3.687 -3.183) 5.343 5.240 ( 6.715 -6.169 0.451) 9.130 5.418 ( 6.345 -9.278 5.690) 12.598 5.644 ( 0.197 -5.443 -0.073) 5.447 5.874 ( 7.726 6.803 -2.943) 10.707 6.057 ( 6.454 6.837 -1.018) 9.457 6.526 ( -0.278 10.616 -5.704) 12.055 6.811 ( 4.562 6.243 7.922) 11.070 9.957 ( -2.557 0.167 1.548) 2.994 10.012 ( -2.029 -0.758 -1.366) 2.561 10.411 ( 8.727 -3.887 -1.994) 9.759 10.510 ( 13.893 -6.269 11.332) 18.993 11.373 ( -7.009 -1.803 -4.049) 8.293 11.626 ( 0.351 -7.157 -6.431) 9.628 11.934 ( 3.610 0.158 -1.231) 3.818 11.987 ( 3.748 0.556 0.865) 3.886 13.387 ( 0.066 -0.672 -2.637) 2.722 13.414 ( 0.407 0.152 3.381) 3.409 13.805 ( -5.156 4.092 -4.063) 7.736 13.854 ( -6.101 3.281 5.486) 8.837 14.576 ( -4.826 0.441 -1.432) 5.053 14.613 ( -3.971 0.768 -3.425) 5.300 14.865 ( 3.232 1.015 2.334) 4.114 15.050 ( 4.652 2.010 -4.568) 6.822 ======================= Grid point 102 (47/56) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 1.684 4.384 -6.630) 8.124 0.613 ( 2.200 4.097 -0.541) 4.682 0.774 ( 4.026 5.141 -4.409) 7.879 0.833 ( 1.237 5.066 8.041) 9.583 0.962 ( -3.754 1.687 2.671) 4.906 1.085 ( 0.592 1.582 -1.318) 2.143 1.102 ( 0.364 3.363 -0.402) 3.406 1.156 ( -6.513 0.865 1.614) 6.766 1.206 ( -2.736 1.183 -0.920) 3.119 1.260 ( -0.466 3.254 -3.533) 4.826 1.269 ( 1.204 1.065 0.162) 1.615 1.372 ( -0.076 -1.308 4.537) 4.722 1.410 ( -2.537 2.038 4.159) 5.281 1.463 ( 3.421 -0.958 0.069) 3.554 1.490 ( 8.125 2.485 -9.838) 12.998 1.522 ( 0.846 -2.710 -0.069) 2.840 1.561 ( 0.014 0.167 -0.427) 0.459 1.606 ( -0.423 -0.368 -1.575) 1.672 1.641 ( -0.006 0.505 -0.630) 0.808 1.707 ( 0.697 -1.893 -1.100) 2.298 1.728 ( 1.323 -1.029 4.662) 4.954 1.748 ( 0.693 -1.932 0.883) 2.234 1.781 ( 2.944 -1.214 -2.398) 3.986 1.842 ( 1.137 0.848 0.698) 1.580 1.868 ( 3.182 1.207 -2.747) 4.374 1.924 ( 1.708 -2.744 0.950) 3.369 1.940 ( 4.025 0.221 -0.614) 4.078 2.004 ( -1.446 0.700 3.429) 3.787 2.035 ( 1.285 2.274 0.452) 2.650 2.073 ( -2.294 -0.298 4.638) 5.183 2.132 ( -4.768 1.797 -0.233) 5.101 2.163 ( -3.008 -2.035 1.536) 3.943 2.183 ( -0.158 0.258 -3.971) 3.982 2.266 ( -2.194 1.179 2.237) 3.348 2.351 ( -0.180 -0.882 1.545) 1.788 2.390 ( -3.590 -0.101 1.263) 3.807 2.437 ( 0.559 0.549 -0.918) 1.207 2.455 ( -4.194 -1.226 -1.022) 4.488 2.525 ( 0.919 -1.247 2.351) 2.816 2.626 ( -2.358 -2.371 -4.613) 5.697 2.709 ( -3.870 -2.599 0.536) 4.693 2.762 ( -4.763 0.973 -2.306) 5.381 2.806 ( 3.775 -0.160 1.439) 4.043 2.887 ( 2.135 -1.152 -1.296) 2.751 2.998 ( 1.156 -1.407 0.672) 1.941 3.032 ( 0.135 -1.515 -0.887) 1.761 3.513 ( 1.173 -0.644 0.513) 1.433 3.519 ( -1.304 -2.135 -1.386) 2.860 3.559 ( -0.714 -1.241 -2.763) 3.111 3.612 ( 3.070 -5.316 -0.581) 6.166 3.686 ( -3.915 -2.694 2.084) 5.189 3.689 ( -3.128 -6.048 0.377) 6.820 3.933 ( -0.012 1.753 1.045) 2.041 4.025 ( -2.922 0.137 1.311) 3.206 4.043 ( -3.280 -1.347 0.180) 3.550 4.153 ( -7.439 1.845 -0.787) 7.705 4.221 ( -1.615 2.274 1.470) 3.153 4.364 ( -3.279 0.863 -0.016) 3.391 4.528 ( -7.600 5.102 -6.085) 10.992 4.756 ( -11.074 -0.518 2.641) 11.397 5.253 ( 10.123 -5.399 0.190) 11.474 5.394 ( 5.595 -3.053 -1.985) 6.676 5.514 ( 1.836 -5.770 5.829) 8.405 5.592 ( -2.624 -0.169 -0.983) 2.808 6.057 ( 7.524 5.116 -1.731) 9.261 6.153 ( 2.664 8.310 -0.160) 8.728 6.596 ( 6.704 7.576 -3.845) 10.822 6.834 ( -2.784 4.864 3.892) 6.824 9.952 ( 1.109 1.088 1.712) 2.312 9.993 ( -0.089 0.557 -1.535) 1.635 10.567 ( 6.457 -3.889 -1.834) 7.758 10.708 ( 1.699 -6.684 9.807) 11.989 11.346 ( 5.014 -2.442 1.655) 5.818 11.587 ( -2.538 -6.080 -8.304) 10.600 12.013 ( 3.716 -0.491 -3.504) 5.131 12.048 ( 1.674 0.150 2.277) 2.831 13.395 ( 1.178 -0.357 -2.667) 2.938 13.424 ( -0.144 0.431 3.650) 3.678 13.698 ( -4.239 3.396 -0.861) 5.499 13.720 ( -5.838 3.493 -0.119) 6.805 14.520 ( -0.848 0.040 1.097) 1.387 14.553 ( -1.668 0.125 -3.293) 3.693 14.947 ( 3.766 0.912 2.756) 4.755 15.074 ( -0.891 1.951 -4.113) 4.639 ======================= Grid point 103 (48/56) ======================= q-point: ( 0.50 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.578 ( -5.271 2.864 -3.454) 6.922 0.578 ( 5.271 2.864 3.454) 6.922 0.824 ( 2.000 4.105 -6.025) 7.560 0.824 ( -2.000 4.105 6.025) 7.560 0.999 ( -5.833 2.607 -3.510) 7.289 0.999 ( 5.833 2.607 3.510) 7.289 1.119 ( -3.248 2.727 -3.468) 5.478 1.119 ( 3.248 2.727 3.468) 5.478 1.224 ( 7.585 -0.054 -6.396) 9.922 1.224 ( -7.585 -0.054 6.396) 9.922 1.275 ( -0.772 2.045 -1.037) 2.419 1.275 ( 0.772 2.045 1.037) 2.419 1.472 ( -2.678 0.768 -2.541) 3.770 1.472 ( 2.678 0.768 2.541) 3.770 1.546 ( -2.040 -0.818 -0.378) 2.231 1.546 ( 2.040 -0.818 0.378) 2.231 1.597 ( -0.701 0.963 -4.115) 4.284 1.597 ( 0.701 0.963 4.115) 4.284 1.685 ( -2.883 -2.284 -0.470) 3.708 1.685 ( 2.883 -2.284 0.470) 3.708 1.741 ( 0.933 -0.773 -5.597) 5.726 1.741 ( -0.933 -0.773 5.597) 5.726 1.837 ( -1.299 -0.828 -1.832) 2.393 1.837 ( 1.299 -0.828 1.832) 2.393 1.925 ( 1.541 0.490 -4.515) 4.796 1.925 ( -1.541 0.490 4.515) 4.796 1.978 ( 1.578 0.068 -1.468) 2.156 1.978 ( -1.578 0.068 1.468) 2.156 2.039 ( -1.539 -1.692 -2.776) 3.597 2.039 ( 1.539 -1.692 2.776) 3.597 2.115 ( -1.536 1.053 -2.174) 2.862 2.115 ( 1.536 1.053 2.174) 2.862 2.217 ( 1.270 1.409 -2.619) 3.234 2.217 ( -1.270 1.409 2.619) 3.234 2.360 ( -0.764 0.527 -0.554) 1.081 2.360 ( 0.764 0.527 0.554) 1.081 2.415 ( -3.660 0.381 -4.228) 5.605 2.415 ( 3.660 0.381 4.228) 5.605 2.581 ( -1.952 -3.304 -1.838) 4.255 2.581 ( 1.952 -3.304 1.838) 4.255 2.672 ( -1.734 -0.872 -2.465) 3.138 2.672 ( 1.734 -0.872 2.465) 3.138 2.882 ( -2.402 -0.750 -2.250) 3.376 2.882 ( 2.402 -0.750 2.250) 3.376 3.017 ( -0.780 -1.882 -0.822) 2.197 3.017 ( 0.780 -1.882 0.822) 2.197 3.501 ( 0.289 -1.151 -0.422) 1.259 3.501 ( -0.289 -1.151 0.422) 1.259 3.601 ( 3.754 -0.523 -2.854) 4.745 3.601 ( -3.754 -0.523 2.854) 4.745 3.663 ( -1.210 -7.377 0.007) 7.475 3.663 ( 1.210 -7.377 -0.007) 7.475 3.964 ( -1.575 -0.005 -2.761) 3.179 3.964 ( 1.575 -0.005 2.761) 3.179 4.028 ( -2.656 -0.987 -1.898) 3.410 4.028 ( 2.656 -0.987 1.898) 3.410 4.271 ( -5.049 5.487 -3.540) 8.254 4.271 ( 5.049 5.487 3.540) 8.254 4.545 ( -5.971 -0.678 -1.392) 6.168 4.545 ( 5.971 -0.678 1.392) 6.168 5.412 ( -3.467 -4.597 -2.581) 6.310 5.412 ( 3.467 -4.597 2.581) 6.310 5.546 ( -0.389 -1.525 -6.022) 6.224 5.546 ( 0.389 -1.525 6.022) 6.224 6.156 ( 0.331 7.843 -4.974) 9.293 6.156 ( -0.331 7.843 4.974) 9.293 6.737 ( 1.643 5.372 -3.128) 6.430 6.737 ( -1.643 5.372 3.128) 6.430 9.982 ( -0.909 1.092 -1.928) 2.395 9.982 ( 0.909 1.092 1.928) 2.395 10.672 ( 4.144 -4.233 -3.178) 6.722 10.672 ( -4.144 -4.233 3.178) 6.722 11.489 ( -5.659 -5.218 -8.831) 11.715 11.489 ( 5.659 -5.218 8.831) 11.715 12.058 ( 1.058 -0.133 -4.028) 4.167 12.058 ( -1.058 -0.133 4.028) 4.167 13.417 ( 1.076 0.350 -3.583) 3.757 13.417 ( -1.076 0.350 3.583) 3.757 13.653 ( 0.169 2.776 -3.225) 4.258 13.653 ( -0.169 2.776 3.225) 4.258 14.524 ( -0.309 -0.328 -3.592) 3.620 14.524 ( 0.309 -0.328 3.592) 3.620 15.023 ( -3.063 1.614 -3.282) 4.770 15.023 ( 3.063 1.614 3.282) 4.770 ======================= Grid point 107 (49/56) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 1.817 7.120 -7.706) 10.648 0.740 ( -1.817 7.120 7.706) 10.648 0.833 ( -1.269 6.364 -6.463) 9.159 0.833 ( 1.270 6.364 6.463) 9.159 1.090 ( 0.303 -0.055 -2.678) 2.696 1.090 ( -0.303 -0.055 2.678) 2.696 1.141 ( -4.449 1.896 0.042) 4.837 1.141 ( 4.449 1.896 -0.042) 4.837 1.233 ( 3.076 2.203 -1.292) 3.998 1.233 ( -3.076 2.203 1.292) 3.998 1.402 ( 0.482 -2.403 -1.124) 2.696 1.402 ( -0.482 -2.403 1.124) 2.696 1.415 ( -0.243 1.869 -4.563) 4.937 1.415 ( 0.243 1.869 4.563) 4.937 1.525 ( 0.689 -4.583 -5.101) 6.893 1.525 ( -0.689 -4.583 5.101) 6.893 1.563 ( 1.168 3.186 -5.597) 6.545 1.563 ( -1.168 3.186 5.597) 6.545 1.632 ( -0.008 0.440 -2.581) 2.618 1.632 ( 0.008 0.440 2.581) 2.618 1.692 ( -2.883 1.140 -2.441) 3.946 1.692 ( 2.883 1.140 2.441) 3.946 1.756 ( -0.405 5.117 -3.778) 6.374 1.756 ( 0.405 5.117 3.778) 6.374 1.870 ( 1.172 1.131 -3.680) 4.024 1.870 ( -1.172 1.131 3.680) 4.024 1.959 ( -0.372 0.001 -2.429) 2.458 1.959 ( 0.372 0.001 2.429) 2.458 2.047 ( -0.369 -1.596 -0.696) 1.779 2.047 ( 0.369 -1.596 0.696) 1.779 2.147 ( -1.730 -2.176 -2.753) 3.912 2.147 ( 1.730 -2.176 2.753) 3.912 2.244 ( -2.779 -2.878 -0.010) 4.001 2.244 ( 2.779 -2.878 0.010) 4.001 2.426 ( -0.056 -0.158 -2.663) 2.668 2.426 ( 0.056 -0.158 2.663) 2.668 2.463 ( -0.874 -4.018 -1.813) 4.494 2.463 ( 0.874 -4.018 1.813) 4.494 2.637 ( 0.265 -3.913 -3.189) 5.055 2.637 ( -0.265 -3.913 3.189) 5.055 2.763 ( -4.294 1.034 -0.512) 4.446 2.763 ( 4.294 1.034 0.512) 4.446 2.874 ( 0.465 1.023 -2.051) 2.339 2.874 ( -0.465 1.023 2.051) 2.339 2.936 ( -2.129 0.763 0.381) 2.293 2.936 ( 2.129 0.763 -0.381) 2.293 3.394 ( -0.509 -3.083 -0.432) 3.154 3.394 ( 0.509 -3.083 0.432) 3.154 3.637 ( -0.352 -1.297 -1.340) 1.898 3.637 ( 0.352 -1.297 1.340) 1.898 3.696 ( 0.742 -3.893 -2.501) 4.686 3.696 ( -0.742 -3.893 2.501) 4.686 4.134 ( 0.342 4.350 -1.513) 4.618 4.134 ( -0.342 4.350 1.513) 4.618 4.271 ( -1.745 -0.929 -3.632) 4.135 4.271 ( 1.745 -0.929 3.632) 4.135 4.590 ( -10.604 -0.227 -4.369) 11.471 4.590 ( 10.604 -0.227 4.369) 11.471 4.769 ( -12.171 1.061 1.564) 12.317 4.769 ( 12.171 1.061 -1.564) 12.317 5.138 ( -4.308 -0.308 -5.613) 7.083 5.138 ( 4.308 -0.308 5.613) 7.083 5.336 ( -3.580 -3.285 -8.806) 10.058 5.336 ( 3.580 -3.285 8.806) 10.058 6.039 ( -1.785 5.959 -8.375) 10.433 6.039 ( 1.785 5.959 8.375) 10.433 6.781 ( -4.342 3.955 -11.517) 12.929 6.781 ( 4.342 3.955 11.517) 12.929 10.005 ( 0.895 -1.122 -0.706) 1.599 10.005 ( -0.895 -1.122 0.706) 1.599 10.225 ( -0.173 -3.686 -2.671) 4.555 10.225 ( 0.173 -3.686 2.671) 4.555 11.437 ( -0.268 -5.058 -6.712) 8.409 11.437 ( 0.268 -5.058 6.712) 8.409 11.934 ( -0.587 0.680 -2.109) 2.292 11.934 ( 0.587 0.680 2.109) 2.292 13.424 ( 0.679 2.601 -2.690) 3.802 13.424 ( -0.679 2.601 2.690) 3.802 13.934 ( -0.428 0.885 -8.854) 8.908 13.934 ( 0.428 0.885 8.854) 8.908 14.644 ( -1.339 -1.267 -3.749) 4.178 14.644 ( 1.339 -1.267 3.749) 4.178 14.956 ( -5.823 2.165 0.894) 6.276 14.956 ( 5.823 2.165 -0.894) 6.276 ======================= Grid point 109 (50/56) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( -4.221 7.982 -8.202) 12.199 0.703 ( -1.357 7.146 6.006) 9.433 0.859 ( 3.049 7.412 -6.375) 10.241 0.906 ( 3.226 8.159 7.845) 11.770 1.058 ( -0.899 -0.226 -0.350) 0.991 1.068 ( -2.166 0.633 -0.739) 2.375 1.151 ( 2.560 -1.004 3.030) 4.092 1.199 ( 1.053 0.790 1.497) 1.993 1.236 ( 1.619 1.043 -1.381) 2.370 1.289 ( 1.403 1.962 -0.198) 2.421 1.360 ( -2.632 3.316 2.809) 5.080 1.365 ( -0.694 -4.184 -3.975) 5.812 1.413 ( 0.160 2.621 0.281) 2.641 1.438 ( -1.301 3.008 -1.915) 3.796 1.457 ( -2.708 -4.404 2.800) 5.880 1.523 ( 0.387 -0.766 -1.751) 1.950 1.558 ( -0.578 -3.099 -0.211) 3.159 1.595 ( 3.001 1.788 -2.674) 4.399 1.639 ( 0.494 -0.226 3.070) 3.117 1.653 ( 1.018 2.365 -4.894) 5.530 1.682 ( 0.629 3.224 0.117) 3.287 1.741 ( -1.313 -1.362 1.125) 2.201 1.769 ( 2.430 1.041 1.583) 3.082 1.780 ( -0.257 0.680 0.240) 0.766 1.819 ( 3.697 2.301 -0.564) 4.391 1.853 ( -1.135 0.553 2.120) 2.467 1.937 ( -1.181 0.501 -2.160) 2.512 2.028 ( 2.282 1.584 1.259) 3.050 2.064 ( 1.703 1.827 0.289) 2.514 2.091 ( 0.437 0.436 -0.619) 0.874 2.125 ( 1.331 -3.510 -1.682) 4.114 2.156 ( -1.174 -2.790 0.523) 3.071 2.197 ( -0.462 -3.088 0.627) 3.185 2.298 ( 1.325 -0.063 2.114) 2.496 2.385 ( -4.129 -4.953 0.172) 6.451 2.393 ( -1.858 -0.116 -1.131) 2.178 2.434 ( -1.689 -3.041 1.258) 3.699 2.462 ( -0.940 0.490 0.069) 1.062 2.580 ( -3.417 -3.654 0.090) 5.004 2.649 ( -0.905 -1.242 0.503) 1.617 2.692 ( -2.550 0.368 0.716) 2.674 2.809 ( -1.537 1.208 -0.919) 2.160 2.856 ( -1.825 -0.566 1.445) 2.395 2.870 ( 0.972 0.848 -1.366) 1.879 2.911 ( 0.598 -1.358 -0.180) 1.495 2.983 ( 1.752 -0.712 -1.503) 2.415 3.392 ( 1.134 -3.990 0.109) 4.149 3.434 ( 2.493 -2.742 0.018) 3.706 3.596 ( -2.659 -0.093 -2.311) 3.524 3.612 ( -2.662 -1.444 -0.563) 3.081 3.663 ( -3.044 -4.159 1.023) 5.254 3.681 ( -1.790 -2.904 0.622) 3.467 4.067 ( -5.444 -0.800 0.907) 5.576 4.088 ( -4.386 4.028 0.578) 5.982 4.141 ( -6.235 2.071 0.315) 6.577 4.271 ( -2.811 -1.746 0.603) 3.364 4.384 ( -8.776 -0.171 -4.417) 9.826 4.474 ( -10.974 2.980 -1.221) 11.437 4.833 ( -4.965 3.087 -3.798) 6.971 4.897 ( 10.180 -6.342 -2.190) 12.193 5.007 ( -11.142 2.320 2.468) 11.645 5.195 ( 8.216 -0.619 1.986) 8.475 5.305 ( 6.686 -2.635 8.114) 10.839 5.551 ( 5.430 -4.246 0.216) 6.896 6.017 ( 5.508 7.845 -4.038) 10.401 6.192 ( 7.506 5.873 0.321) 9.536 6.705 ( -0.087 6.961 -8.489) 10.979 6.889 ( 2.851 1.299 8.641) 9.191 9.968 ( -0.776 0.950 0.970) 1.564 10.001 ( -0.251 -0.217 -0.533) 0.628 10.320 ( 7.780 -4.869 -1.250) 9.262 10.374 ( 10.210 -6.921 4.024) 12.975 11.337 ( -4.351 -1.577 -2.084) 5.075 11.475 ( 0.062 -7.272 -1.881) 7.512 11.950 ( 2.750 1.088 -1.484) 3.309 11.988 ( 3.063 -0.309 1.579) 3.460 13.408 ( -0.473 2.603 1.357) 2.973 13.439 ( 0.683 2.118 -1.751) 2.832 13.862 ( -4.744 1.721 -5.802) 7.689 13.896 ( -5.510 0.703 8.990) 10.568 14.579 ( -3.059 0.089 -2.282) 3.817 14.625 ( -3.407 -0.003 -0.214) 3.414 14.905 ( 1.488 3.001 0.961) 3.485 15.067 ( 3.805 -0.485 -2.627) 4.649 ======================= Grid point 110 (51/56) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.070 7.893 -5.935) 9.876 0.719 ( 0.561 6.541 1.713) 6.784 0.903 ( 2.287 7.157 -4.567) 8.793 0.949 ( -2.704 4.952 3.807) 6.807 1.015 ( 0.974 4.183 3.817) 5.746 1.086 ( 2.603 -0.616 -2.987) 4.010 1.155 ( -3.147 0.600 2.540) 4.088 1.205 ( -1.898 4.744 0.587) 5.143 1.227 ( -1.642 0.335 2.271) 2.823 1.260 ( -2.158 -1.086 3.785) 4.490 1.338 ( -0.993 2.642 -1.119) 3.036 1.393 ( 4.479 -4.398 0.657) 6.312 1.403 ( -2.116 4.559 -1.346) 5.204 1.446 ( 2.869 -0.522 1.559) 3.307 1.490 ( 3.553 0.966 -1.295) 3.903 1.513 ( 1.284 0.057 -2.607) 2.907 1.551 ( 1.259 -1.650 -2.142) 2.983 1.627 ( -1.548 0.532 0.207) 1.650 1.655 ( 0.438 -0.848 -0.998) 1.381 1.670 ( -0.283 -0.681 3.669) 3.742 1.693 ( 0.026 -2.973 -5.320) 6.094 1.715 ( 0.820 -0.448 -0.307) 0.983 1.768 ( 0.750 -1.081 1.559) 2.040 1.812 ( 1.585 -0.788 -2.040) 2.701 1.894 ( 1.755 -0.849 -2.243) 2.971 1.899 ( 2.411 1.653 -1.292) 3.196 1.965 ( 5.667 1.896 2.246) 6.384 2.004 ( -1.440 -0.432 -1.388) 2.046 2.045 ( -5.042 0.065 1.834) 5.365 2.081 ( -1.835 -0.108 -0.091) 1.841 2.133 ( 1.239 0.664 -0.952) 1.698 2.176 ( -0.206 2.378 -1.440) 2.788 2.207 ( -0.321 0.522 3.843) 3.892 2.296 ( 0.662 -1.121 0.809) 1.533 2.307 ( -3.867 -0.762 1.485) 4.212 2.352 ( -1.088 -3.284 2.071) 4.032 2.404 ( -1.247 -2.686 0.488) 3.001 2.463 ( 0.333 1.459 0.919) 1.756 2.510 ( -1.868 -0.771 0.026) 2.022 2.601 ( -2.772 -0.032 -1.088) 2.978 2.657 ( -2.081 -1.438 -0.122) 2.532 2.763 ( -4.688 -0.925 -1.618) 5.045 2.804 ( 0.599 -0.535 1.565) 1.760 2.884 ( 0.314 -0.018 -1.171) 1.213 2.940 ( 1.194 -3.671 -0.048) 3.861 2.996 ( -0.329 -2.081 -2.112) 2.984 3.421 ( 1.094 -4.995 -0.132) 5.115 3.497 ( 3.445 -2.106 0.114) 4.039 3.528 ( -4.161 -3.403 0.078) 5.376 3.575 ( 0.171 0.387 0.897) 0.991 3.587 ( -2.349 -0.712 -3.798) 4.522 3.639 ( -2.598 -3.006 3.572) 5.343 3.984 ( -1.791 -2.468 2.155) 3.734 4.001 ( -3.772 1.003 -0.777) 3.980 4.022 ( -5.766 1.920 1.144) 6.184 4.160 ( -7.194 0.369 -4.741) 8.624 4.274 ( -0.264 0.194 5.377) 5.387 4.342 ( -2.244 -2.115 -0.503) 3.125 4.625 ( -9.701 3.987 -6.401) 12.287 4.735 ( -11.774 -1.545 -3.731) 12.447 5.167 ( 10.724 -1.665 4.314) 11.679 5.342 ( 3.762 -3.202 2.367) 5.478 5.446 ( 5.373 -0.264 4.712) 7.151 5.582 ( -0.830 -1.186 -2.766) 3.122 6.182 ( 8.665 7.358 -2.007) 11.543 6.311 ( 3.315 6.670 0.819) 7.493 6.746 ( 4.718 6.936 -6.347) 10.519 6.909 ( -1.956 2.180 5.670) 6.382 9.983 ( 1.538 1.975 1.062) 2.719 10.010 ( 0.767 1.137 -0.665) 1.524 10.468 ( 6.252 -5.665 -1.879) 8.643 10.547 ( 4.184 -8.828 5.012) 10.980 11.304 ( 1.916 -1.511 -0.203) 2.449 11.450 ( -1.955 -6.974 -3.238) 7.934 12.015 ( 3.308 0.533 -2.466) 4.160 12.044 ( 1.745 -0.417 2.285) 2.905 13.415 ( 0.911 2.201 1.283) 2.706 13.446 ( 0.280 1.691 -1.910) 2.566 13.749 ( -4.755 1.687 -2.765) 5.753 13.774 ( -6.364 1.423 5.083) 8.269 14.532 ( -1.076 1.027 -0.983) 1.782 14.563 ( -2.220 0.856 -0.945) 2.560 14.970 ( 3.732 1.515 1.718) 4.379 15.092 ( -0.663 -0.431 -2.637) 2.753 ======================= Grid point 111 (52/56) ======================= q-point: ( 0.50 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.662 ( -4.395 5.550 -0.614) 7.106 0.662 ( 4.395 5.550 0.614) 7.106 0.928 ( 0.116 5.482 -3.969) 6.769 0.928 ( -0.116 5.482 3.969) 6.769 1.056 ( -2.984 3.961 -2.968) 5.779 1.056 ( 2.984 3.961 2.968) 5.779 1.164 ( 3.995 -0.344 -4.059) 5.706 1.164 ( -3.995 -0.344 4.059) 5.706 1.222 ( -1.507 1.858 -1.940) 3.081 1.222 ( 1.507 1.858 1.940) 3.081 1.344 ( -0.190 4.028 -1.694) 4.374 1.344 ( 0.190 4.028 1.694) 4.374 1.481 ( -1.022 -0.155 -2.054) 2.300 1.481 ( 1.022 -0.155 2.054) 2.300 1.519 ( -1.734 -0.956 -1.480) 2.472 1.519 ( 1.734 -0.956 1.480) 2.472 1.605 ( -0.306 -2.022 -1.268) 2.406 1.605 ( 0.306 -2.022 1.268) 2.406 1.648 ( -0.797 -0.727 -0.851) 1.374 1.648 ( 0.797 -0.727 0.851) 1.374 1.715 ( -1.930 -2.318 -5.091) 5.918 1.715 ( 1.930 -2.318 5.091) 5.918 1.802 ( -2.008 -1.228 -0.545) 2.416 1.802 ( 2.008 -1.228 0.545) 2.416 1.930 ( 0.217 -0.462 -2.099) 2.160 1.930 ( -0.217 -0.462 2.099) 2.160 1.972 ( 2.264 0.064 -3.107) 3.845 1.972 ( -2.264 0.064 3.107) 3.845 2.050 ( -2.630 1.471 -0.957) 3.161 2.050 ( 2.630 1.471 0.957) 3.161 2.151 ( -4.088 2.671 -1.920) 5.247 2.151 ( 4.088 2.671 1.920) 5.247 2.220 ( 2.358 -0.887 -1.438) 2.900 2.220 ( -2.358 -0.887 1.438) 2.900 2.330 ( -1.969 -2.356 0.333) 3.089 2.330 ( 1.969 -2.356 -0.333) 3.089 2.432 ( -2.705 -0.738 -2.706) 3.897 2.432 ( 2.705 -0.738 2.706) 3.897 2.539 ( -3.081 0.906 -2.985) 4.385 2.539 ( 3.081 0.906 2.985) 4.385 2.657 ( -3.425 -0.672 -2.145) 4.097 2.657 ( 3.425 -0.672 2.145) 4.097 2.857 ( -2.203 -2.112 -1.961) 3.628 2.857 ( 2.203 -2.112 1.961) 3.628 2.969 ( -1.504 -2.602 -1.324) 3.284 2.969 ( 1.504 -2.602 1.324) 3.284 3.451 ( -1.930 -3.723 -0.451) 4.218 3.451 ( 1.930 -3.723 0.451) 4.218 3.559 ( -1.681 -2.067 -0.770) 2.773 3.559 ( 1.681 -2.067 0.770) 2.773 3.598 ( 1.128 -0.818 -2.724) 3.059 3.598 ( -1.128 -0.818 2.724) 3.059 3.946 ( 0.082 -1.452 -2.200) 2.637 3.946 ( -0.082 -1.452 2.200) 2.637 4.029 ( -4.629 1.190 -3.249) 5.779 4.029 ( 4.629 1.190 3.249) 5.779 4.318 ( -2.431 -1.419 -2.780) 3.956 4.318 ( 2.431 -1.419 2.780) 3.956 4.542 ( -4.593 0.962 0.140) 4.695 4.542 ( 4.593 0.962 -0.140) 4.695 5.335 ( -3.947 -2.374 -2.230) 5.117 5.335 ( 3.947 -2.374 2.230) 5.117 5.536 ( -1.564 -0.042 -6.827) 7.004 5.536 ( 1.564 -0.042 6.827) 7.004 6.311 ( 0.284 7.162 -4.999) 8.739 6.311 ( -0.284 7.162 4.999) 8.739 6.843 ( 4.517 4.752 -5.145) 8.334 6.843 ( -4.517 4.752 5.145) 8.334 10.012 ( -0.499 1.894 -1.374) 2.392 10.012 ( 0.499 1.894 1.374) 2.392 10.558 ( 2.593 -6.841 -2.834) 7.846 10.558 ( -2.593 -6.841 2.834) 7.846 11.382 ( -3.827 -4.863 -3.413) 7.067 11.382 ( 3.827 -4.863 3.413) 7.067 12.057 ( 0.832 0.001 -3.469) 3.568 12.057 ( -0.832 0.001 3.469) 3.568 13.439 ( -0.570 1.809 -2.221) 2.921 13.439 ( 0.570 1.809 2.221) 2.921 13.698 ( 0.665 1.437 -3.553) 3.890 13.698 ( -0.665 1.437 3.553) 3.890 14.530 ( -0.230 0.941 -1.180) 1.527 14.530 ( 0.230 0.941 1.180) 1.527 15.046 ( -2.910 0.522 -2.409) 3.814 15.046 ( 2.910 0.522 2.409) 3.814 ======================= Grid point 115 (53/56) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.875 ( 2.053 5.096 -5.193) 7.560 0.875 ( -2.053 5.096 5.193) 7.560 0.953 ( -2.515 5.920 -6.174) 8.916 0.953 ( 2.515 5.920 6.174) 8.916 1.052 ( -1.885 -3.249 -2.557) 4.544 1.052 ( 1.885 -3.249 2.557) 4.544 1.185 ( -3.067 0.907 -0.291) 3.212 1.185 ( 3.067 0.907 0.291) 3.212 1.267 ( 1.246 0.820 -1.377) 2.030 1.267 ( -1.246 0.820 1.377) 2.030 1.307 ( -1.133 -3.778 -0.688) 4.003 1.307 ( 1.133 -3.778 0.688) 4.003 1.415 ( -0.179 -2.230 -3.100) 3.823 1.415 ( 0.179 -2.230 3.100) 3.823 1.476 ( -1.177 0.206 -2.337) 2.625 1.476 ( 1.177 0.206 2.337) 2.625 1.606 ( 2.668 2.069 -4.272) 5.445 1.606 ( -2.668 2.069 4.272) 5.445 1.664 ( -1.556 0.115 -1.482) 2.152 1.664 ( 1.556 0.115 1.482) 2.152 1.716 ( -2.152 1.433 -0.737) 2.688 1.716 ( 2.152 1.433 0.737) 2.688 1.811 ( -1.864 -0.214 -2.622) 3.224 1.811 ( 1.864 -0.214 2.622) 3.224 1.885 ( -2.430 0.160 0.287) 2.453 1.885 ( 2.430 0.160 -0.287) 2.453 1.997 ( -1.198 2.780 -3.175) 4.387 1.997 ( 1.198 2.780 3.175) 4.387 2.065 ( -0.622 2.754 -2.021) 3.472 2.065 ( 0.622 2.754 2.021) 3.472 2.138 ( 0.560 2.500 -0.908) 2.718 2.138 ( -0.560 2.500 0.908) 2.718 2.186 ( -2.849 -2.002 -1.178) 3.676 2.186 ( 2.849 -2.002 1.178) 3.676 2.302 ( -1.537 -8.536 -2.692) 9.081 2.302 ( 1.537 -8.536 2.692) 9.081 2.484 ( -2.174 2.672 -1.425) 3.727 2.484 ( 2.174 2.672 1.425) 3.727 2.551 ( -2.747 -4.222 -2.220) 5.504 2.551 ( 2.747 -4.222 2.220) 5.504 2.786 ( -0.793 0.921 -0.470) 1.303 2.786 ( 0.793 0.921 0.470) 1.303 2.899 ( 0.988 0.898 -1.156) 1.766 2.899 ( -0.988 0.898 1.156) 1.766 2.940 ( -0.373 -0.107 -0.545) 0.669 2.940 ( 0.373 -0.107 0.545) 0.669 3.339 ( -0.427 -1.966 -0.099) 2.015 3.339 ( 0.427 -1.966 0.099) 2.015 3.614 ( -0.319 -0.687 -0.127) 0.768 3.614 ( 0.319 -0.687 0.127) 0.768 3.645 ( 0.124 -1.320 -0.961) 1.638 3.645 ( -0.124 -1.320 0.961) 1.638 4.173 ( -0.643 0.106 -0.032) 0.653 4.173 ( 0.643 0.106 0.032) 0.653 4.302 ( -0.887 3.158 -1.520) 3.616 4.302 ( 0.887 3.158 1.520) 3.616 4.516 ( -6.152 -4.203 -1.562) 7.613 4.516 ( 6.152 -4.203 1.562) 7.613 4.850 ( -5.767 3.560 -0.049) 6.778 4.850 ( 5.767 3.560 0.049) 6.778 5.154 ( -4.776 1.548 -3.028) 5.863 5.154 ( 4.776 1.548 3.028) 5.863 5.282 ( -3.896 -2.293 -4.879) 6.651 5.282 ( 3.896 -2.293 4.879) 6.651 6.124 ( -1.026 2.396 -4.180) 4.926 6.124 ( 1.026 2.396 4.180) 4.926 6.815 ( -1.497 0.377 -4.757) 5.002 6.815 ( 1.497 0.377 4.757) 5.002 9.997 ( 0.213 0.071 -0.302) 0.376 9.997 ( -0.213 0.071 0.302) 0.376 10.165 ( 0.042 -1.953 -0.993) 2.192 10.165 ( -0.042 -1.953 0.993) 2.192 11.369 ( -0.065 -1.809 -2.513) 3.097 11.369 ( 0.065 -1.809 2.513) 3.097 11.942 ( -0.236 0.175 -0.705) 0.764 11.942 ( 0.236 0.175 0.705) 0.764 13.473 ( 0.463 1.737 -1.380) 2.266 13.473 ( -0.463 1.737 1.380) 2.266 13.937 ( -0.037 -0.183 -3.740) 3.744 13.937 ( 0.037 -0.183 3.740) 3.744 14.624 ( -0.576 -0.614 -1.329) 1.573 14.624 ( 0.576 -0.614 1.329) 1.573 14.982 ( -2.085 0.620 0.316) 2.198 14.982 ( 2.085 0.620 -0.316) 2.198 ======================= Grid point 117 (54/56) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -2.460 7.588 -0.975) 8.037 0.850 ( -1.559 7.244 -1.305) 7.524 0.954 ( 2.264 0.717 -3.308) 4.072 1.008 ( -0.575 -3.434 -1.142) 3.664 1.047 ( 2.654 4.641 5.096) 7.386 1.102 ( -0.545 3.237 -0.520) 3.323 1.126 ( 1.794 -1.688 3.149) 3.998 1.196 ( 0.015 -4.461 -1.793) 4.808 1.238 ( -1.095 1.046 1.490) 2.124 1.268 ( -0.665 -1.209 0.217) 1.397 1.331 ( 2.842 0.360 -0.233) 2.874 1.363 ( 1.508 -3.820 0.789) 4.182 1.392 ( -0.630 0.649 1.391) 1.659 1.450 ( 0.971 -2.139 1.828) 2.977 1.463 ( 0.986 2.130 1.341) 2.703 1.525 ( 0.811 1.170 2.346) 2.744 1.552 ( -2.010 0.693 -0.368) 2.158 1.598 ( -2.113 -0.579 -0.531) 2.254 1.614 ( -1.175 0.865 -1.912) 2.405 1.670 ( -1.028 -1.230 -2.223) 2.741 1.736 ( 3.670 -0.650 -2.499) 4.488 1.740 ( -0.562 -1.123 -1.224) 1.753 1.788 ( -3.718 2.958 -2.916) 5.574 1.797 ( -0.021 1.627 0.005) 1.627 1.853 ( -0.294 2.601 -0.365) 2.643 1.903 ( 0.649 -1.226 2.378) 2.753 1.963 ( -0.846 3.613 -2.025) 4.228 2.034 ( 0.118 -2.884 -1.441) 3.226 2.056 ( 0.618 0.242 -4.857) 4.902 2.077 ( 1.176 -0.821 -0.681) 1.587 2.137 ( -0.348 3.534 -0.416) 3.575 2.151 ( 1.899 1.643 1.462) 2.905 2.212 ( 3.325 3.989 3.447) 6.233 2.245 ( 1.587 -2.611 0.192) 3.061 2.259 ( 0.104 -5.922 2.150) 6.302 2.358 ( 1.139 -4.682 2.563) 5.458 2.415 ( -4.132 1.286 -0.520) 4.358 2.466 ( -2.993 -4.566 0.581) 5.490 2.528 ( 1.285 3.450 0.917) 3.794 2.605 ( 0.724 -3.464 2.096) 4.113 2.737 ( -3.884 3.143 0.555) 5.027 2.792 ( -0.588 -2.334 -0.601) 2.481 2.846 ( -4.085 0.188 0.165) 4.092 2.858 ( -2.151 -1.036 0.664) 2.478 2.935 ( 0.120 1.893 -2.640) 3.251 2.964 ( 0.537 -1.168 -1.800) 2.212 3.343 ( 0.954 -0.758 0.570) 1.346 3.369 ( 2.006 -3.117 0.566) 3.750 3.578 ( -2.969 -0.294 0.321) 3.001 3.592 ( -2.141 -1.288 0.480) 2.544 3.631 ( -0.974 -0.051 -0.322) 1.027 3.640 ( -0.805 -1.076 -0.791) 1.559 4.063 ( -7.551 1.074 0.406) 7.637 4.099 ( -6.439 -1.764 0.096) 6.677 4.225 ( -4.019 3.762 1.845) 5.806 4.253 ( -5.424 0.324 0.445) 5.452 4.380 ( -7.331 1.101 -4.655) 8.753 4.455 ( -10.597 -4.856 -4.513) 12.500 4.852 ( 2.251 2.291 0.461) 3.244 4.880 ( -4.847 0.117 -3.894) 6.218 5.064 ( -3.590 3.294 4.429) 6.584 5.142 ( 2.546 -4.340 6.491) 8.213 5.343 ( 8.938 5.460 1.097) 10.531 5.458 ( 6.938 -5.555 -0.077) 8.888 6.166 ( 6.617 6.694 -3.551) 10.060 6.246 ( 7.623 -0.823 -1.101) 7.746 6.806 ( 1.507 4.024 -2.887) 5.177 6.872 ( 2.488 -2.562 4.394) 5.662 9.991 ( 0.560 1.162 0.571) 1.411 10.002 ( 0.786 0.033 0.139) 0.799 10.247 ( 6.745 -1.933 -0.432) 7.030 10.265 ( 7.455 -3.699 0.540) 8.340 11.324 ( -2.465 0.518 -0.586) 2.586 11.365 ( -1.130 -3.859 -0.099) 4.022 11.968 ( 2.653 0.739 -0.786) 2.864 11.979 ( 2.740 -0.488 0.460) 2.821 13.463 ( -0.525 2.223 0.758) 2.407 13.475 ( 0.057 0.977 -1.807) 2.055 13.881 ( -4.649 0.492 -1.629) 4.951 13.892 ( -4.909 -0.675 4.597) 6.759 14.587 ( -1.996 0.869 -0.947) 2.374 14.610 ( -1.849 -1.273 0.155) 2.250 14.972 ( 1.097 3.552 -0.144) 3.720 15.034 ( 2.373 -2.658 -1.197) 3.759 ======================= Grid point 118 (55/56) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.768 ( -2.234 7.929 -5.240) 9.763 0.836 ( -2.385 3.359 -0.719) 4.182 0.969 ( -0.657 -0.970 0.805) 1.422 0.992 ( 1.507 -0.284 -1.938) 2.472 1.074 ( 1.374 2.206 -2.087) 3.333 1.120 ( 0.144 0.507 3.671) 3.708 1.179 ( 1.971 3.511 2.741) 4.871 1.216 ( -1.179 2.555 3.213) 4.271 1.256 ( 0.586 0.099 2.641) 2.707 1.293 ( 5.189 -4.443 1.517) 6.997 1.311 ( -2.477 2.991 1.950) 4.346 1.356 ( -0.905 -1.319 2.454) 2.929 1.438 ( 4.295 0.882 0.249) 4.391 1.462 ( -1.485 0.666 -0.401) 1.676 1.511 ( 1.869 0.662 -0.564) 2.062 1.520 ( 1.801 0.503 -2.711) 3.293 1.544 ( 1.389 -0.983 -0.412) 1.751 1.585 ( -0.575 -4.077 1.270) 4.309 1.597 ( 0.401 -0.361 -1.449) 1.546 1.630 ( -2.268 -1.048 -4.014) 4.728 1.678 ( -3.112 0.022 -0.643) 3.178 1.707 ( -3.960 -1.195 -3.110) 5.175 1.787 ( 1.247 1.403 -1.092) 2.171 1.818 ( 1.341 -0.816 -0.996) 1.859 1.875 ( 1.794 1.655 1.467) 2.848 1.918 ( 2.426 -0.555 1.050) 2.701 1.973 ( -0.914 0.357 0.374) 1.051 1.994 ( -1.760 -1.242 0.174) 2.162 2.079 ( 1.632 1.901 -2.499) 3.539 2.103 ( 1.473 -0.038 -1.814) 2.337 2.140 ( -0.225 2.246 -1.465) 2.691 2.195 ( -2.825 -1.502 -1.817) 3.679 2.213 ( 1.218 -1.493 -2.967) 3.538 2.232 ( -1.178 0.196 1.288) 1.756 2.306 ( 0.223 0.749 2.995) 3.095 2.343 ( -1.123 0.397 1.640) 2.026 2.375 ( 0.926 0.167 2.437) 2.612 2.426 ( -2.061 -4.475 1.232) 5.078 2.548 ( 1.082 4.147 2.151) 4.796 2.613 ( 0.048 -0.979 2.018) 2.243 2.656 ( -3.056 2.079 2.065) 4.234 2.723 ( -5.298 -3.364 1.510) 6.455 2.790 ( -0.983 0.304 -1.690) 1.979 2.833 ( -1.053 -3.620 -1.604) 4.097 2.928 ( -0.054 1.335 -1.964) 2.375 2.958 ( -0.655 -1.700 -2.189) 2.848 3.369 ( 1.256 -0.182 0.579) 1.395 3.410 ( 1.098 -4.121 0.421) 4.286 3.520 ( -1.512 1.122 1.674) 2.519 3.556 ( -1.000 -2.348 2.620) 3.657 3.602 ( -2.013 1.117 -3.256) 3.987 3.613 ( -1.329 0.019 -0.289) 1.360 3.945 ( -2.999 -0.531 1.219) 3.281 3.966 ( -5.377 -2.256 0.330) 5.840 4.122 ( -5.291 5.466 0.784) 7.647 4.193 ( -6.187 3.215 -4.261) 8.171 4.219 ( -1.127 -4.231 3.657) 5.704 4.282 ( -4.453 -4.520 -1.535) 6.528 4.682 ( -9.590 2.039 -5.456) 11.221 4.710 ( -10.217 -1.076 -4.852) 11.362 5.193 ( 8.468 3.459 7.439) 11.790 5.270 ( 5.492 -4.035 7.665) 10.256 5.481 ( 4.256 3.011 -1.627) 5.462 5.542 ( 1.649 -2.854 -3.319) 4.678 6.318 ( 7.135 5.796 -1.818) 9.371 6.379 ( 4.635 0.023 -0.372) 4.650 6.855 ( 3.187 4.296 -2.332) 5.835 6.913 ( 0.707 -1.563 3.076) 3.522 10.021 ( 1.835 1.641 0.580) 2.529 10.031 ( 1.573 0.669 0.047) 1.710 10.379 ( 5.309 -2.439 -0.700) 5.884 10.403 ( 4.749 -4.977 1.050) 6.959 11.296 ( 0.123 0.801 -0.220) 0.840 11.341 ( -1.016 -3.957 -0.465) 4.112 12.026 ( 2.668 0.516 -0.985) 2.891 12.035 ( 2.176 -0.424 0.653) 2.312 13.461 ( 0.384 1.955 0.654) 2.097 13.474 ( 0.243 0.721 -2.079) 2.214 13.768 ( -5.218 0.560 -0.398) 5.263 13.779 ( -5.817 -0.475 3.307) 6.708 14.555 ( -0.874 1.276 -0.490) 1.622 14.572 ( -1.553 -0.198 -0.199) 1.578 15.009 ( 2.078 2.473 0.236) 3.239 15.060 ( 0.320 -2.496 -1.257) 2.813 ======================= Grid point 119 (56/56) ======================= q-point: ( 0.50 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 2.00e-05 2.00e-05 2.00e-05 2.00e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 49 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.669 3.753 -0.547) 3.851 0.765 ( -0.669 3.753 0.547) 3.851 0.995 ( -0.337 1.437 -4.272) 4.520 0.995 ( 0.337 1.437 4.272) 4.520 1.105 ( 1.641 -1.466 -4.656) 5.150 1.105 ( -1.641 -1.466 4.656) 5.150 1.200 ( 0.409 6.936 -2.020) 7.235 1.200 ( -0.409 6.936 2.020) 7.235 1.260 ( 0.625 0.809 -1.331) 1.678 1.260 ( -0.625 0.809 1.331) 1.678 1.395 ( -2.749 -0.509 -3.590) 4.550 1.395 ( 2.749 -0.509 3.590) 4.550 1.437 ( -4.708 -3.375 -1.381) 5.955 1.437 ( 4.708 -3.375 1.381) 5.955 1.532 ( -2.066 2.829 -2.541) 4.327 1.532 ( 2.066 2.829 2.541) 4.327 1.585 ( -1.391 -0.207 -1.370) 1.963 1.585 ( 1.391 -0.207 1.370) 1.963 1.607 ( 0.977 -2.151 -3.334) 4.086 1.607 ( -0.977 -2.151 3.334) 4.086 1.652 ( 0.263 -3.320 -4.764) 5.813 1.652 ( -0.263 -3.320 4.764) 5.813 1.812 ( 0.298 0.892 -1.309) 1.612 1.812 ( -0.298 0.892 1.309) 1.612 1.932 ( -1.689 1.024 -1.554) 2.513 1.932 ( 1.689 1.024 1.554) 2.513 1.963 ( 0.541 -1.092 -2.231) 2.542 1.963 ( -0.541 -1.092 2.231) 2.542 2.078 ( -0.936 1.269 -2.411) 2.881 2.078 ( 0.936 1.269 2.411) 2.881 2.156 ( -1.021 -1.903 -1.217) 2.478 2.156 ( 1.021 -1.903 1.217) 2.478 2.219 ( -0.338 0.476 -0.937) 1.104 2.219 ( 0.338 0.476 0.937) 1.104 2.329 ( -2.326 2.371 0.409) 3.347 2.329 ( 2.326 2.371 -0.409) 3.347 2.389 ( -0.483 -2.609 -1.198) 2.911 2.389 ( 0.483 -2.609 1.198) 2.911 2.595 ( -2.015 3.183 -1.902) 4.220 2.595 ( 2.015 3.183 1.902) 4.220 2.643 ( -0.883 -0.939 -1.319) 1.845 2.643 ( 0.883 -0.939 1.319) 1.845 2.798 ( -1.501 -3.007 -1.702) 3.767 2.798 ( 1.501 -3.007 1.702) 3.767 2.937 ( -0.663 -0.655 -0.794) 1.224 2.937 ( 0.663 -0.655 0.794) 1.224 3.396 ( -1.242 -1.396 -0.594) 1.961 3.396 ( 1.242 -1.396 0.594) 1.961 3.547 ( -2.366 0.406 -2.437) 3.421 3.547 ( 2.366 0.406 2.437) 3.421 3.573 ( -1.842 -1.521 -3.389) 4.146 3.573 ( 1.842 -1.521 3.389) 4.146 3.926 ( -0.559 -0.515 -0.920) 1.193 3.926 ( 0.559 -0.515 0.920) 1.193 4.069 ( -2.349 2.331 -2.158) 3.951 4.069 ( 2.349 2.331 2.158) 3.951 4.250 ( -0.853 -3.708 -1.774) 4.198 4.250 ( 0.853 -3.708 1.775) 4.198 4.568 ( 0.550 0.966 -0.512) 1.224 4.568 ( -0.550 0.966 0.512) 1.224 5.319 ( -1.752 0.092 -1.304) 2.186 5.319 ( 1.752 0.092 1.304) 2.186 5.533 ( -0.916 -0.188 -3.157) 3.292 5.533 ( 0.916 -0.188 3.157) 3.292 6.411 ( 0.107 2.784 -2.051) 3.460 6.411 ( -0.107 2.784 2.051) 3.460 6.907 ( 1.765 1.649 -2.375) 3.387 6.907 ( -1.765 1.649 2.375) 3.387 10.047 ( -0.151 1.352 -0.543) 1.464 10.047 ( 0.151 1.352 0.543) 1.464 10.443 ( 0.571 -3.840 -1.099) 4.035 10.443 ( -0.571 -3.840 1.099) 4.035 11.317 ( -1.317 -1.682 -0.528) 2.200 11.317 ( 1.317 -1.682 0.528) 2.200 12.057 ( 0.261 0.015 -1.212) 1.240 12.057 ( -0.261 0.015 1.212) 1.240 13.474 ( -0.259 1.227 -1.499) 1.955 13.474 ( 0.259 1.227 1.499) 1.955 13.709 ( 0.359 0.043 -2.499) 2.525 13.709 ( -0.359 0.043 2.499) 2.525 14.551 ( -0.344 0.795 -0.045) 0.867 14.551 ( 0.344 0.795 0.045) 0.867 15.047 ( -1.194 -0.188 -1.004) 1.571 15.047 ( 1.194 -0.188 1.004) 1.571 =================== 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 3/14112 10.0 12.380 16.799 16.389 0.000 2.376 0.000 3/14112 20.0 2.770 3.617 3.667 0.000 0.520 0.000 3/14112 30.0 1.472 1.862 1.916 0.000 0.246 0.000 3/14112 40.0 1.015 1.254 1.297 0.000 0.159 0.000 3/14112 50.0 0.788 0.953 0.985 0.000 0.119 0.000 3/14112 60.0 0.651 0.774 0.799 0.000 0.097 0.000 3/14112 70.0 0.559 0.656 0.675 0.000 0.082 0.000 3/14112 80.0 0.492 0.572 0.586 0.000 0.072 0.000 3/14112 90.0 0.440 0.508 0.519 0.000 0.064 0.000 3/14112 100.0 0.400 0.458 0.468 0.000 0.058 0.000 3/14112 110.0 0.366 0.418 0.426 0.000 0.053 0.000 3/14112 120.0 0.338 0.385 0.392 0.000 0.049 0.000 3/14112 130.0 0.315 0.357 0.364 0.000 0.046 0.000 3/14112 140.0 0.294 0.333 0.339 0.000 0.043 0.000 3/14112 150.0 0.277 0.312 0.318 0.000 0.040 0.000 3/14112 160.0 0.261 0.294 0.300 0.000 0.038 0.000 3/14112 170.0 0.247 0.278 0.284 0.000 0.036 0.000 3/14112 180.0 0.235 0.264 0.270 0.000 0.034 0.000 3/14112 190.0 0.223 0.251 0.257 0.000 0.032 0.000 3/14112 200.0 0.213 0.239 0.245 0.000 0.031 0.000 3/14112 210.0 0.204 0.229 0.234 0.000 0.029 0.000 3/14112 220.0 0.195 0.219 0.225 0.000 0.028 0.000 3/14112 230.0 0.188 0.210 0.216 0.000 0.027 0.000 3/14112 240.0 0.180 0.202 0.207 0.000 0.026 0.000 3/14112 250.0 0.174 0.194 0.200 0.000 0.025 0.000 3/14112 260.0 0.167 0.187 0.193 0.000 0.024 0.000 3/14112 270.0 0.162 0.181 0.186 0.000 0.023 0.000 3/14112 280.0 0.156 0.175 0.180 0.000 0.022 0.000 3/14112 290.0 0.151 0.169 0.174 0.000 0.022 0.000 3/14112 300.0 0.147 0.163 0.169 0.000 0.021 0.000 3/14112 310.0 0.142 0.158 0.164 0.000 0.020 0.000 3/14112 320.0 0.138 0.154 0.159 0.000 0.020 0.000 3/14112 330.0 0.134 0.149 0.154 0.000 0.019 0.000 3/14112 340.0 0.130 0.145 0.150 0.000 0.019 0.000 3/14112 350.0 0.127 0.141 0.146 0.000 0.018 0.000 3/14112 360.0 0.123 0.137 0.142 0.000 0.018 0.000 3/14112 370.0 0.120 0.134 0.138 0.000 0.017 0.000 3/14112 380.0 0.117 0.130 0.135 0.000 0.017 0.000 3/14112 390.0 0.114 0.127 0.132 0.000 0.016 0.000 3/14112 400.0 0.111 0.124 0.129 0.000 0.016 0.000 3/14112 410.0 0.109 0.121 0.126 0.000 0.016 0.000 3/14112 420.0 0.106 0.118 0.123 0.000 0.015 0.000 3/14112 430.0 0.104 0.116 0.120 0.000 0.015 0.000 3/14112 440.0 0.102 0.113 0.117 0.000 0.015 0.000 3/14112 450.0 0.099 0.111 0.115 0.000 0.014 0.000 3/14112 460.0 0.097 0.108 0.112 0.000 0.014 0.000 3/14112 470.0 0.095 0.106 0.110 0.000 0.014 0.000 3/14112 480.0 0.093 0.104 0.108 0.000 0.013 0.000 3/14112 490.0 0.092 0.102 0.106 0.000 0.013 0.000 3/14112 500.0 0.090 0.100 0.104 0.000 0.013 0.000 3/14112 510.0 0.088 0.098 0.102 0.000 0.013 0.000 3/14112 520.0 0.086 0.096 0.100 0.000 0.012 0.000 3/14112 530.0 0.085 0.094 0.098 0.000 0.012 0.000 3/14112 540.0 0.083 0.093 0.096 0.000 0.012 0.000 3/14112 550.0 0.082 0.091 0.095 0.000 0.012 0.000 3/14112 560.0 0.080 0.089 0.093 0.000 0.011 0.000 3/14112 570.0 0.079 0.088 0.091 0.000 0.011 0.000 3/14112 580.0 0.078 0.086 0.090 0.000 0.011 0.000 3/14112 590.0 0.076 0.085 0.088 0.000 0.011 0.000 3/14112 600.0 0.075 0.083 0.087 0.000 0.011 0.000 3/14112 610.0 0.074 0.082 0.085 0.000 0.011 0.000 3/14112 620.0 0.073 0.081 0.084 0.000 0.010 0.000 3/14112 630.0 0.072 0.080 0.083 0.000 0.010 0.000 3/14112 640.0 0.071 0.078 0.082 0.000 0.010 0.000 3/14112 650.0 0.069 0.077 0.080 0.000 0.010 0.000 3/14112 660.0 0.068 0.076 0.079 0.000 0.010 0.000 3/14112 670.0 0.067 0.075 0.078 0.000 0.010 0.000 3/14112 680.0 0.066 0.074 0.077 0.000 0.009 0.000 3/14112 690.0 0.066 0.073 0.076 0.000 0.009 0.000 3/14112 700.0 0.065 0.072 0.075 0.000 0.009 0.000 3/14112 710.0 0.064 0.071 0.074 0.000 0.009 0.000 3/14112 720.0 0.063 0.070 0.073 0.000 0.009 0.000 3/14112 730.0 0.062 0.069 0.072 0.000 0.009 0.000 3/14112 740.0 0.061 0.068 0.071 0.000 0.009 0.000 3/14112 750.0 0.060 0.067 0.070 0.000 0.009 0.000 3/14112 760.0 0.060 0.066 0.069 0.000 0.008 0.000 3/14112 770.0 0.059 0.065 0.068 0.000 0.008 0.000 3/14112 780.0 0.058 0.064 0.067 0.000 0.008 0.000 3/14112 790.0 0.057 0.064 0.066 0.000 0.008 0.000 3/14112 800.0 0.057 0.063 0.065 0.000 0.008 0.000 3/14112 810.0 0.056 0.062 0.065 0.000 0.008 0.000 3/14112 820.0 0.055 0.061 0.064 0.000 0.008 0.000 3/14112 830.0 0.055 0.061 0.063 0.000 0.008 0.000 3/14112 840.0 0.054 0.060 0.062 0.000 0.008 0.000 3/14112 850.0 0.053 0.059 0.062 0.000 0.008 0.000 3/14112 860.0 0.053 0.059 0.061 0.000 0.008 0.000 3/14112 870.0 0.052 0.058 0.060 0.000 0.007 0.000 3/14112 880.0 0.052 0.057 0.060 0.000 0.007 0.000 3/14112 890.0 0.051 0.057 0.059 0.000 0.007 0.000 3/14112 900.0 0.050 0.056 0.058 0.000 0.007 0.000 3/14112 910.0 0.050 0.055 0.058 0.000 0.007 0.000 3/14112 920.0 0.049 0.055 0.057 0.000 0.007 0.000 3/14112 930.0 0.049 0.054 0.056 0.000 0.007 0.000 3/14112 940.0 0.048 0.054 0.056 0.000 0.007 0.000 3/14112 950.0 0.048 0.053 0.055 0.000 0.007 0.000 3/14112 960.0 0.047 0.052 0.055 0.000 0.007 0.000 3/14112 970.0 0.047 0.052 0.054 0.000 0.007 0.000 3/14112 980.0 0.046 0.051 0.054 0.000 0.007 0.000 3/14112 990.0 0.046 0.051 0.053 0.000 0.007 0.000 3/14112 1000.0 0.045 0.050 0.053 0.000 0.006 0.000 3/14112 Thermal conductivity related properties were written into "kappa-m674.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 23:57:46]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|