----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 01:26:49]------------------------- 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: [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.095987830014112 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749822129999999 0.000000000000000 c -9.906148992782670 0.000000000000000 14.693748042619248 Atomic positions (fractional): *1 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 *2 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 *3 Sr 0.22396730821946 0.99892305412667 0.23350515636953 87.620 *4 Sr 0.45230999744001 0.51728705136786 0.60420155748391 87.620 *5 Sr 0.88779901100185 0.48613258859502 0.07846499614799 87.620 6 Sr 0.11220098899815 0.98613258859502 0.42153500385201 87.620 7 Sr 0.54769000255999 0.01728705136786 0.89579844251609 87.620 8 Sr 0.77603269178054 0.49892305412667 0.26649484363047 87.620 9 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 10 Sr 0.22396730821946 0.50107694587333 0.73350515636953 87.620 11 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 12 Sr 0.45230999744001 0.98271294863214 0.10420155748390 87.620 13 Sr 0.88779901100185 0.01386741140498 0.57846499614799 87.620 14 Sr 0.11220098899815 0.51386741140498 0.92153500385201 87.620 15 Sr 0.54769000255999 0.48271294863214 0.39579844251609 87.620 16 Sr 0.77603269178054 0.00107694587333 0.76649484363047 87.620 *17 Ta 0.67107142389653 0.50764665532711 0.83345349367406 180.948 *18 Ta 0.16470553151264 0.49008807217565 0.33280498487278 180.948 19 Ta 0.32892857610347 0.00764665532711 0.66654650632594 180.948 20 Ta 0.83529446848736 0.99008807217565 0.16719501512722 180.948 21 Ta 0.16470553151264 0.00991192782435 0.83280498487278 180.948 22 Ta 0.67107142389653 0.99235334467289 0.33345349367406 180.948 23 Ta 0.83529446848736 0.50991192782435 0.66719501512722 180.948 24 Ta 0.32892857610347 0.49235334467289 0.16654650632594 180.948 *25 O 0.73336867976523 0.43203879165653 0.73976209476702 15.999 *26 O 0.86532700806203 0.68192107087164 0.89557207602951 15.999 *27 O 0.29706788022949 0.21462746238685 0.37191601425781 15.999 *28 O 0.32222685100065 0.66908072142218 0.43710586375403 15.999 *29 O 0.76458832662026 0.22354111878075 0.89933314993304 15.999 *30 O 0.93939443020786 0.89836356977841 0.10839994569703 15.999 *31 O 0.38449035652351 0.09942385250769 0.58311060980388 15.999 *32 O 0.53507720460994 0.78842307258552 0.75120599528206 15.999 *33 O 0.98176602088620 0.27536342886872 0.22392142321537 15.999 34 O 0.01823397911380 0.77536342886872 0.27607857678463 15.999 35 O 0.46492279539006 0.28842307258552 0.74879400471794 15.999 36 O 0.61550964347649 0.59942385250769 0.91688939019612 15.999 37 O 0.06060556979214 0.39836356977841 0.39160005430297 15.999 38 O 0.23541167337974 0.72354111878075 0.60066685006696 15.999 39 O 0.67777314899935 0.16908072142218 0.06289413624597 15.999 40 O 0.70293211977051 0.71462746238685 0.12808398574219 15.999 41 O 0.13467299193797 0.18192107087164 0.60442792397049 15.999 42 O 0.26663132023477 0.93203879165653 0.76023790523298 15.999 43 O 0.73336867976523 0.06796120834347 0.23976209476702 15.999 44 O 0.86532700806203 0.81807892912836 0.39557207602951 15.999 45 O 0.29706788022949 0.28537253761315 0.87191601425781 15.999 46 O 0.32222685100065 0.83091927857782 0.93710586375403 15.999 47 O 0.76458832662026 0.27645888121925 0.39933314993304 15.999 48 O 0.93939443020786 0.60163643022159 0.60839994569704 15.999 49 O 0.38449035652351 0.40057614749231 0.08311060980388 15.999 50 O 0.53507720460994 0.71157692741448 0.25120599528206 15.999 51 O 0.98176602088620 0.22463657113128 0.72392142321537 15.999 52 O 0.01823397911380 0.72463657113128 0.77607857678463 15.999 53 O 0.46492279539006 0.21157692741448 0.24879400471794 15.999 54 O 0.61550964347649 0.90057614749231 0.41688939019612 15.999 55 O 0.06060556979214 0.10163643022159 0.89160005430296 15.999 56 O 0.23541167337974 0.77645888121925 0.10066685006696 15.999 57 O 0.67777314899935 0.33091927857782 0.56289413624597 15.999 58 O 0.70293211977051 0.78537253761315 0.62808398574219 15.999 59 O 0.13467299193797 0.31807892912836 0.10442792397049 15.999 60 O 0.26663132023477 0.56796120834347 0.26023790523298 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.095987830014112 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749822129999999 0.000000000000000 c -9.906148992782670 0.000000000000000 14.693748042619248 Atomic positions (fractional): *1 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 1 *2 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 2 *3 Sr 0.22396730821946 0.99892305412667 0.23350515636953 87.620 > 3 *4 Sr 0.45230999744001 0.51728705136786 0.60420155748391 87.620 > 4 *5 Sr 0.88779901100185 0.48613258859502 0.07846499614799 87.620 > 5 6 Sr 0.11220098899815 0.98613258859502 0.42153500385201 87.620 > 6 7 Sr 0.54769000255999 0.01728705136786 0.89579844251609 87.620 > 7 8 Sr 0.77603269178054 0.49892305412667 0.26649484363047 87.620 > 8 9 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 > 9 10 Sr 0.22396730821946 0.50107694587333 0.73350515636953 87.620 > 10 11 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 > 11 12 Sr 0.45230999744001 0.98271294863214 0.10420155748390 87.620 > 12 13 Sr 0.88779901100185 0.01386741140498 0.57846499614799 87.620 > 13 14 Sr 0.11220098899815 0.51386741140498 0.92153500385201 87.620 > 14 15 Sr 0.54769000255999 0.48271294863214 0.39579844251609 87.620 > 15 16 Sr 0.77603269178054 0.00107694587333 0.76649484363047 87.620 > 16 *17 Ta 0.67107142389653 0.50764665532711 0.83345349367406 180.948 > 17 *18 Ta 0.16470553151264 0.49008807217565 0.33280498487278 180.948 > 18 19 Ta 0.32892857610347 0.00764665532711 0.66654650632594 180.948 > 19 20 Ta 0.83529446848736 0.99008807217565 0.16719501512722 180.948 > 20 21 Ta 0.16470553151264 0.00991192782435 0.83280498487278 180.948 > 21 22 Ta 0.67107142389653 0.99235334467289 0.33345349367406 180.948 > 22 23 Ta 0.83529446848736 0.50991192782435 0.66719501512722 180.948 > 23 24 Ta 0.32892857610347 0.49235334467289 0.16654650632594 180.948 > 24 *25 O 0.73336867976523 0.43203879165653 0.73976209476702 15.999 > 25 *26 O 0.86532700806203 0.68192107087164 0.89557207602951 15.999 > 26 *27 O 0.29706788022949 0.21462746238685 0.37191601425781 15.999 > 27 *28 O 0.32222685100065 0.66908072142218 0.43710586375403 15.999 > 28 *29 O 0.76458832662026 0.22354111878075 0.89933314993304 15.999 > 29 *30 O 0.93939443020786 0.89836356977841 0.10839994569703 15.999 > 30 *31 O 0.38449035652351 0.09942385250769 0.58311060980388 15.999 > 31 *32 O 0.53507720460994 0.78842307258552 0.75120599528206 15.999 > 32 *33 O 0.98176602088620 0.27536342886872 0.22392142321537 15.999 > 33 34 O 0.01823397911380 0.77536342886872 0.27607857678463 15.999 > 34 35 O 0.46492279539006 0.28842307258552 0.74879400471794 15.999 > 35 36 O 0.61550964347649 0.59942385250769 0.91688939019612 15.999 > 36 37 O 0.06060556979214 0.39836356977841 0.39160005430297 15.999 > 37 38 O 0.23541167337974 0.72354111878075 0.60066685006696 15.999 > 38 39 O 0.67777314899935 0.16908072142218 0.06289413624597 15.999 > 39 40 O 0.70293211977051 0.71462746238685 0.12808398574219 15.999 > 40 41 O 0.13467299193797 0.18192107087164 0.60442792397049 15.999 > 41 42 O 0.26663132023477 0.93203879165653 0.76023790523298 15.999 > 42 43 O 0.73336867976523 0.06796120834347 0.23976209476702 15.999 > 43 44 O 0.86532700806203 0.81807892912836 0.39557207602951 15.999 > 44 45 O 0.29706788022949 0.28537253761315 0.87191601425781 15.999 > 45 46 O 0.32222685100065 0.83091927857782 0.93710586375403 15.999 > 46 47 O 0.76458832662026 0.27645888121925 0.39933314993304 15.999 > 47 48 O 0.93939443020786 0.60163643022159 0.60839994569704 15.999 > 48 49 O 0.38449035652351 0.40057614749231 0.08311060980388 15.999 > 49 50 O 0.53507720460994 0.71157692741448 0.25120599528206 15.999 > 50 51 O 0.98176602088620 0.22463657113128 0.72392142321537 15.999 > 51 52 O 0.01823397911380 0.72463657113128 0.77607857678463 15.999 > 52 53 O 0.46492279539006 0.21157692741448 0.24879400471794 15.999 > 53 54 O 0.61550964347649 0.90057614749231 0.41688939019612 15.999 > 54 55 O 0.06060556979214 0.10163643022159 0.89160005430296 15.999 > 55 56 O 0.23541167337974 0.77645888121925 0.10066685006696 15.999 > 56 57 O 0.67777314899935 0.33091927857782 0.56289413624597 15.999 > 57 58 O 0.70293211977051 0.78537253761315 0.62808398574219 15.999 > 58 59 O 0.13467299193797 0.31807892912836 0.10442792397049 15.999 > 59 60 O 0.26663132023477 0.56796120834347 0.26023790523298 15.999 > 60 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.095987830014112 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499644259999998 0.000000000000000 c -9.906148992782670 0.000000000000000 14.693748042619248 Atomic positions (fractional): *1 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 1 *3 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 2 4 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 2 *5 Sr 0.22396730821946 0.49946152706333 0.23350515636953 87.620 > 3 6 Sr 0.22396730821946 0.99946152706333 0.23350515636953 87.620 > 3 *7 Sr 0.45230999744001 0.25864352568393 0.60420155748391 87.620 > 4 8 Sr 0.45230999744001 0.75864352568393 0.60420155748391 87.620 > 4 *9 Sr 0.88779901100185 0.24306629429751 0.07846499614799 87.620 > 5 10 Sr 0.88779901100185 0.74306629429751 0.07846499614799 87.620 > 5 11 Sr 0.11220098899815 0.49306629429751 0.42153500385201 87.620 > 6 12 Sr 0.11220098899815 0.99306629429751 0.42153500385201 87.620 > 6 13 Sr 0.54769000255999 0.00864352568393 0.89579844251609 87.620 > 7 14 Sr 0.54769000255999 0.50864352568393 0.89579844251609 87.620 > 7 15 Sr 0.77603269178054 0.24946152706333 0.26649484363047 87.620 > 8 16 Sr 0.77603269178054 0.74946152706333 0.26649484363047 87.620 > 8 17 Sr 0.00000000000000 0.25000000000000 0.50000000000000 87.620 > 9 18 Sr 0.00000000000000 0.75000000000000 0.50000000000000 87.620 > 9 19 Sr 0.22396730821946 0.25053847293667 0.73350515636953 87.620 > 10 20 Sr 0.22396730821946 0.75053847293667 0.73350515636953 87.620 > 10 21 Sr 0.50000000000000 0.25000000000000 0.00000000000000 87.620 > 11 22 Sr 0.50000000000000 0.75000000000000 0.00000000000000 87.620 > 11 23 Sr 0.45230999744001 0.49135647431607 0.10420155748390 87.620 > 12 24 Sr 0.45230999744001 0.99135647431607 0.10420155748390 87.620 > 12 25 Sr 0.88779901100185 0.00693370570249 0.57846499614799 87.620 > 13 26 Sr 0.88779901100185 0.50693370570249 0.57846499614799 87.620 > 13 27 Sr 0.11220098899815 0.25693370570249 0.92153500385201 87.620 > 14 28 Sr 0.11220098899815 0.75693370570249 0.92153500385201 87.620 > 14 29 Sr 0.54769000255999 0.24135647431607 0.39579844251609 87.620 > 15 30 Sr 0.54769000255999 0.74135647431607 0.39579844251609 87.620 > 15 31 Sr 0.77603269178054 0.00053847293667 0.76649484363047 87.620 > 16 32 Sr 0.77603269178054 0.50053847293667 0.76649484363047 87.620 > 16 *33 Ta 0.67107142389653 0.25382332766355 0.83345349367406 180.948 > 17 34 Ta 0.67107142389653 0.75382332766355 0.83345349367406 180.948 > 17 *35 Ta 0.16470553151264 0.24504403608783 0.33280498487278 180.948 > 18 36 Ta 0.16470553151264 0.74504403608783 0.33280498487278 180.948 > 18 37 Ta 0.32892857610347 0.00382332766355 0.66654650632594 180.948 > 19 38 Ta 0.32892857610347 0.50382332766355 0.66654650632594 180.948 > 19 39 Ta 0.83529446848736 0.49504403608783 0.16719501512722 180.948 > 20 40 Ta 0.83529446848736 0.99504403608783 0.16719501512722 180.948 > 20 41 Ta 0.16470553151264 0.00495596391217 0.83280498487278 180.948 > 21 42 Ta 0.16470553151264 0.50495596391217 0.83280498487278 180.948 > 21 43 Ta 0.67107142389653 0.49617667233645 0.33345349367406 180.948 > 22 44 Ta 0.67107142389653 0.99617667233645 0.33345349367406 180.948 > 22 45 Ta 0.83529446848736 0.25495596391217 0.66719501512722 180.948 > 23 46 Ta 0.83529446848736 0.75495596391217 0.66719501512722 180.948 > 23 47 Ta 0.32892857610347 0.24617667233645 0.16654650632594 180.948 > 24 48 Ta 0.32892857610347 0.74617667233645 0.16654650632594 180.948 > 24 *49 O 0.73336867976523 0.21601939582826 0.73976209476702 15.999 > 25 50 O 0.73336867976523 0.71601939582827 0.73976209476702 15.999 > 25 *51 O 0.86532700806203 0.34096053543582 0.89557207602951 15.999 > 26 52 O 0.86532700806203 0.84096053543582 0.89557207602951 15.999 > 26 *53 O 0.29706788022949 0.10731373119343 0.37191601425781 15.999 > 27 54 O 0.29706788022949 0.60731373119343 0.37191601425781 15.999 > 27 *55 O 0.32222685100065 0.33454036071109 0.43710586375403 15.999 > 28 56 O 0.32222685100065 0.83454036071109 0.43710586375403 15.999 > 28 *57 O 0.76458832662026 0.11177055939037 0.89933314993304 15.999 > 29 58 O 0.76458832662026 0.61177055939037 0.89933314993304 15.999 > 29 *59 O 0.93939443020786 0.44918178488920 0.10839994569703 15.999 > 30 60 O 0.93939443020786 0.94918178488920 0.10839994569703 15.999 > 30 *61 O 0.38449035652351 0.04971192625385 0.58311060980388 15.999 > 31 62 O 0.38449035652351 0.54971192625385 0.58311060980388 15.999 > 31 *63 O 0.53507720460994 0.39421153629276 0.75120599528206 15.999 > 32 64 O 0.53507720460994 0.89421153629276 0.75120599528206 15.999 > 32 *65 O 0.98176602088620 0.13768171443436 0.22392142321537 15.999 > 33 66 O 0.98176602088620 0.63768171443436 0.22392142321537 15.999 > 33 67 O 0.01823397911380 0.38768171443436 0.27607857678463 15.999 > 34 68 O 0.01823397911380 0.88768171443436 0.27607857678463 15.999 > 34 69 O 0.46492279539006 0.14421153629276 0.74879400471794 15.999 > 35 70 O 0.46492279539006 0.64421153629276 0.74879400471794 15.999 > 35 71 O 0.61550964347649 0.29971192625385 0.91688939019612 15.999 > 36 72 O 0.61550964347649 0.79971192625385 0.91688939019612 15.999 > 36 73 O 0.06060556979214 0.19918178488920 0.39160005430297 15.999 > 37 74 O 0.06060556979214 0.69918178488920 0.39160005430297 15.999 > 37 75 O 0.23541167337974 0.36177055939037 0.60066685006696 15.999 > 38 76 O 0.23541167337974 0.86177055939037 0.60066685006696 15.999 > 38 77 O 0.67777314899935 0.08454036071109 0.06289413624597 15.999 > 39 78 O 0.67777314899935 0.58454036071109 0.06289413624597 15.999 > 39 79 O 0.70293211977051 0.35731373119343 0.12808398574219 15.999 > 40 80 O 0.70293211977051 0.85731373119343 0.12808398574219 15.999 > 40 81 O 0.13467299193797 0.09096053543582 0.60442792397049 15.999 > 41 82 O 0.13467299193797 0.59096053543582 0.60442792397049 15.999 > 41 83 O 0.26663132023477 0.46601939582827 0.76023790523298 15.999 > 42 84 O 0.26663132023477 0.96601939582827 0.76023790523298 15.999 > 42 85 O 0.73336867976523 0.03398060417173 0.23976209476702 15.999 > 43 86 O 0.73336867976523 0.53398060417173 0.23976209476702 15.999 > 43 87 O 0.86532700806203 0.40903946456418 0.39557207602951 15.999 > 44 88 O 0.86532700806203 0.90903946456418 0.39557207602951 15.999 > 44 89 O 0.29706788022949 0.14268626880657 0.87191601425781 15.999 > 45 90 O 0.29706788022949 0.64268626880657 0.87191601425781 15.999 > 45 91 O 0.32222685100065 0.41545963928891 0.93710586375403 15.999 > 46 92 O 0.32222685100065 0.91545963928891 0.93710586375403 15.999 > 46 93 O 0.76458832662026 0.13822944060963 0.39933314993304 15.999 > 47 94 O 0.76458832662026 0.63822944060963 0.39933314993304 15.999 > 47 95 O 0.93939443020786 0.30081821511080 0.60839994569704 15.999 > 48 96 O 0.93939443020786 0.80081821511080 0.60839994569704 15.999 > 48 97 O 0.38449035652351 0.20028807374615 0.08311060980388 15.999 > 49 98 O 0.38449035652351 0.70028807374615 0.08311060980388 15.999 > 49 99 O 0.53507720460994 0.35578846370724 0.25120599528206 15.999 > 50 100 O 0.53507720460994 0.85578846370724 0.25120599528206 15.999 > 50 101 O 0.98176602088620 0.11231828556564 0.72392142321537 15.999 > 51 102 O 0.98176602088620 0.61231828556564 0.72392142321537 15.999 > 51 103 O 0.01823397911380 0.36231828556564 0.77607857678463 15.999 > 52 104 O 0.01823397911380 0.86231828556564 0.77607857678463 15.999 > 52 105 O 0.46492279539006 0.10578846370724 0.24879400471794 15.999 > 53 106 O 0.46492279539006 0.60578846370724 0.24879400471794 15.999 > 53 107 O 0.61550964347649 0.45028807374615 0.41688939019612 15.999 > 54 108 O 0.61550964347649 0.95028807374615 0.41688939019612 15.999 > 54 109 O 0.06060556979214 0.05081821511080 0.89160005430296 15.999 > 55 110 O 0.06060556979214 0.55081821511080 0.89160005430296 15.999 > 55 111 O 0.23541167337974 0.38822944060963 0.10066685006696 15.999 > 56 112 O 0.23541167337974 0.88822944060963 0.10066685006696 15.999 > 56 113 O 0.67777314899935 0.16545963928891 0.56289413624597 15.999 > 57 114 O 0.67777314899935 0.66545963928891 0.56289413624597 15.999 > 57 115 O 0.70293211977051 0.39268626880657 0.62808398574219 15.999 > 58 116 O 0.70293211977051 0.89268626880657 0.62808398574219 15.999 > 58 117 O 0.13467299193797 0.15903946456418 0.10442792397049 15.999 > 59 118 O 0.13467299193797 0.65903946456418 0.10442792397049 15.999 > 59 119 O 0.26663132023477 0.28398060417173 0.26023790523298 15.999 > 60 120 O 0.26663132023477 0.78398060417173 0.26023790523298 15.999 > 60 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3536297 0.0000000 0.0190487 0.0000000 4.4136723 0.0000000 0.0190455 0.0000000 4.1986941 -------------------------- Born effective charges -------------------------- 1 Sr 2.9585820 -0.1320916 0.1437483 0.1003162 2.7808780 -0.3805370 0.0352963 0.3046245 3.2202500 2 Sr 2.6909265 0.2683775 -0.0630542 -0.3248799 2.7746004 0.0049498 -0.0070974 -0.0502116 3.4914404 3 Sr 2.6537090 0.0996901 -0.0423453 0.0511244 2.8101704 0.2390688 -0.0105930 0.0778207 1.8969155 4 Sr 2.4939070 0.0167926 0.1098040 -0.1733435 2.4277205 -0.0516670 0.0186991 -0.1127463 2.5586911 5 Sr 2.3342369 -0.1935880 -0.0005324 -0.0131941 2.6010493 -0.0747424 0.0667384 -0.1100350 2.6976640 6 Sr 2.3342369 0.1935880 -0.0005324 0.0131941 2.6010493 0.0747424 0.0667384 0.1100350 2.6976640 7 Sr 2.4939070 -0.0167926 0.1098040 0.1733435 2.4277205 0.0516670 0.0186991 0.1127463 2.5586911 8 Sr 2.6537090 -0.0996901 -0.0423453 -0.0511244 2.8101704 -0.2390688 -0.0105930 -0.0778207 1.8969155 9 Sr 2.6909265 -0.2683775 -0.0630542 0.3248799 2.7746004 -0.0049498 -0.0070974 0.0502116 3.4914404 10 Sr 2.6537090 -0.0996901 -0.0423453 -0.0511244 2.8101704 -0.2390688 -0.0105930 -0.0778207 1.8969155 11 Sr 2.9585820 0.1320916 0.1437483 -0.1003162 2.7808780 0.3805370 0.0352963 -0.3046245 3.2202500 12 Sr 2.4939070 -0.0167926 0.1098040 0.1733435 2.4277205 0.0516670 0.0186991 0.1127463 2.5586911 13 Sr 2.3342369 0.1935880 -0.0005324 0.0131941 2.6010493 0.0747424 0.0667384 0.1100350 2.6976640 14 Sr 2.3342369 -0.1935880 -0.0005324 -0.0131941 2.6010493 -0.0747424 0.0667384 -0.1100350 2.6976640 15 Sr 2.4939070 0.0167926 0.1098040 -0.1733435 2.4277205 -0.0516670 0.0186991 -0.1127463 2.5586911 16 Sr 2.6537090 0.0996901 -0.0423453 0.0511244 2.8101704 0.2390688 -0.0105930 0.0778207 1.8969155 17 Ta 6.4452934 -0.2550979 -0.1719882 0.4814113 6.6017949 -0.0452645 -0.1098008 -0.0050810 5.7964114 18 Ta 6.6846190 0.0924949 0.0621690 -0.1170885 6.6691899 0.4964471 0.0262941 -0.1410179 5.7152719 19 Ta 6.4452934 0.2550979 -0.1719882 -0.4814113 6.6017949 0.0452645 -0.1098008 0.0050810 5.7964114 20 Ta 6.6846190 -0.0924949 0.0621690 0.1170885 6.6691899 -0.4964471 0.0262941 0.1410179 5.7152719 21 Ta 6.6846190 -0.0924949 0.0621690 0.1170885 6.6691899 -0.4964471 0.0262941 0.1410179 5.7152719 22 Ta 6.4452934 0.2550979 -0.1719882 -0.4814113 6.6017949 0.0452645 -0.1098008 0.0050810 5.7964114 23 Ta 6.6846190 0.0924949 0.0621690 -0.1170885 6.6691899 0.4964471 0.0262941 -0.1410179 5.7152719 24 Ta 6.4452934 -0.2550979 -0.1719882 0.4814113 6.6017949 -0.0452645 -0.1098008 -0.0050810 5.7964114 25 O -3.9163410 0.0178079 1.4079002 -0.0510554 -1.8720830 0.0755095 1.3540780 0.0812401 -2.4643915 26 O -2.8285398 -0.7931538 -0.7271115 -0.8621636 -2.3523626 -0.6179954 -0.8075824 -0.6514987 -2.1795470 27 O -2.2692548 0.7482216 -0.3432898 0.7451905 -3.1056223 0.5309704 -0.3951740 0.6399538 -2.0919092 28 O -1.8657157 -0.3687256 -0.5986068 -0.3122721 -2.4763704 -1.1057209 -0.5445218 -1.0105881 -3.1832800 29 O -1.8887222 0.3338549 -0.2691854 0.2565035 -3.2776957 0.8788146 -0.2511578 0.9598654 -2.3185664 30 O -3.2608533 0.3711552 0.8564586 0.3115929 -2.0368730 -0.2449317 0.9033572 -0.3115399 -2.1776069 31 O -2.8675990 -0.5146968 1.1324018 -0.4019941 -1.9482341 0.2126278 1.0851656 0.1659552 -2.6419274 32 O -2.3668796 1.0157618 -0.8023986 0.9791823 -3.3458501 1.1800089 -0.6453691 1.0799596 -2.4239790 33 O -2.1726142 -0.9868264 -0.6536227 -1.0068816 -3.4725731 -1.1258221 -0.7042331 -1.1356587 -2.5395918 34 O -2.1726142 0.9868264 -0.6536227 1.0068816 -3.4725731 1.1258221 -0.7042331 1.1356587 -2.5395918 35 O -2.3668796 -1.0157618 -0.8023986 -0.9791823 -3.3458501 -1.1800089 -0.6453691 -1.0799596 -2.4239790 36 O -2.8675990 0.5146968 1.1324018 0.4019941 -1.9482341 -0.2126278 1.0851656 -0.1659552 -2.6419274 37 O -3.2608533 -0.3711552 0.8564586 -0.3115929 -2.0368730 0.2449317 0.9033572 0.3115399 -2.1776069 38 O -1.8887222 -0.3338549 -0.2691854 -0.2565035 -3.2776957 -0.8788146 -0.2511578 -0.9598654 -2.3185664 39 O -1.8657157 0.3687256 -0.5986068 0.3122721 -2.4763704 1.1057209 -0.5445218 1.0105881 -3.1832800 40 O -2.2692548 -0.7482216 -0.3432898 -0.7451905 -3.1056223 -0.5309704 -0.3951740 -0.6399538 -2.0919092 41 O -2.8285398 0.7931538 -0.7271115 0.8621636 -2.3523626 0.6179954 -0.8075824 0.6514987 -2.1795470 42 O -3.9163410 -0.0178079 1.4079002 0.0510554 -1.8720830 -0.0755095 1.3540780 -0.0812401 -2.4643915 43 O -3.9163410 -0.0178079 1.4079002 0.0510554 -1.8720830 -0.0755095 1.3540780 -0.0812401 -2.4643915 44 O -2.8285398 0.7931538 -0.7271115 0.8621636 -2.3523626 0.6179954 -0.8075824 0.6514987 -2.1795470 45 O -2.2692548 -0.7482216 -0.3432898 -0.7451905 -3.1056223 -0.5309704 -0.3951740 -0.6399538 -2.0919092 46 O -1.8657157 0.3687256 -0.5986068 0.3122721 -2.4763704 1.1057209 -0.5445218 1.0105881 -3.1832800 47 O -1.8887222 -0.3338549 -0.2691854 -0.2565035 -3.2776957 -0.8788146 -0.2511578 -0.9598654 -2.3185664 48 O -3.2608533 -0.3711552 0.8564586 -0.3115929 -2.0368730 0.2449317 0.9033572 0.3115399 -2.1776069 49 O -2.8675990 0.5146968 1.1324018 0.4019941 -1.9482341 -0.2126278 1.0851656 -0.1659552 -2.6419274 50 O -2.3668796 -1.0157618 -0.8023986 -0.9791823 -3.3458501 -1.1800089 -0.6453691 -1.0799596 -2.4239790 51 O -2.1726142 0.9868264 -0.6536227 1.0068816 -3.4725731 1.1258221 -0.7042331 1.1356587 -2.5395918 52 O -2.1726142 -0.9868264 -0.6536227 -1.0068816 -3.4725731 -1.1258221 -0.7042331 -1.1356587 -2.5395918 53 O -2.3668796 1.0157618 -0.8023986 0.9791823 -3.3458501 1.1800089 -0.6453691 1.0799596 -2.4239790 54 O -2.8675990 -0.5146968 1.1324018 -0.4019941 -1.9482341 0.2126278 1.0851656 0.1659552 -2.6419274 55 O -3.2608533 0.3711552 0.8564586 0.3115929 -2.0368730 -0.2449317 0.9033572 -0.3115399 -2.1776069 56 O -1.8887222 0.3338549 -0.2691854 0.2565035 -3.2776957 0.8788146 -0.2511578 0.9598654 -2.3185664 57 O -1.8657157 -0.3687256 -0.5986068 -0.3122721 -2.4763704 -1.1057209 -0.5445218 -1.0105881 -3.1832800 58 O -2.2692548 0.7482216 -0.3432898 0.7451905 -3.1056223 0.5309704 -0.3951740 0.6399538 -2.0919092 59 O -2.8285398 -0.7931538 -0.7271115 -0.8621636 -2.3523626 -0.6179954 -0.8075824 -0.6514987 -2.1795470 60 O -3.9163410 0.0178079 1.4079002 -0.0510554 -1.8720830 0.0755095 1.3540780 0.0812401 -2.4643915 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8253 Number of blocks in projector: 8253 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 291 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 59 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (8253, 8110), data: False |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (1804, 1773), data: False |-- (1804, 59), data: (1804, 90) @ (90, 59) |-- (304, 291), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 1840 - Time: 2.353 Solver_block: 200 / 1840 - Time: 2.034 Solver_block: 300 / 1840 - Time: 2.041 Solver_block: 400 / 1840 - Time: 2.038 Solver_block: 500 / 1840 - Time: 2.039 Solver_block: 600 / 1840 - Time: 2.045 Solver_block: 700 / 1840 - Time: 2.039 Solver_block: 800 / 1840 - Time: 2.040 Solver_block: 900 / 1840 - Time: 2.045 Solver_block: 1000 / 1840 - Time: 2.048 Solver_block: 1100 / 1840 - Time: 2.047 Solver_block: 1200 / 1840 - Time: 2.044 Solver_block: 1300 / 1840 - Time: 2.038 Solver_block: 1400 / 1840 - Time: 2.039 Solver_block: 1500 / 1840 - Time: 2.040 Solver_block: 1600 / 1840 - Time: 2.037 Solver_block: 1700 / 1840 - Time: 2.038 Solver_block: 1800 / 1840 - Time: 2.038 Solver_block: 1840 / 1840 - Time: 1.046 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 39.080 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 32580/32580 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 8253 Number of blocks in projector: 8253 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: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 227 eigenvectors found. (2) Complementary block size: 48 (2) Compute compressed projector. (2) Use standard solver. (2) 23 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 1804 / 1804 (1) 291 eigenvectors found. (1) Complementary block size: 90 (1) Compute compressed projector. (1) Use standard solver. (1) 59 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1804 Use submatrix version of eigh solver. (1) Block: 500 / 1804 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1000 / 1804 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 1500 / 1804 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1804 / 1804 (1) 286 eigenvectors found. (1) Complementary block size: 102 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 947 Use submatrix version of eigh solver. (1) Block: 500 / 947 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 947 / 947 (1) 433 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. Tree of FC basis block matrices: - (8253, 8110), data: False |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (947, 931), data: False |-- (947, 14), data: (947, 30) @ (30, 14) |-- (447, 433), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (1804, 1773), data: False |-- (1804, 59), data: (1804, 90) @ (90, 59) |-- (304, 291), data: True |-- (500, 479), data: False |-- (500, 17), data: (500, 38) @ (38, 17) |-- (250, 233), data: True |-- (250, 229), data: True |-- (500, 475), data: False |-- (500, 23), data: (500, 48) @ (48, 23) |-- (250, 227), data: True |-- (250, 225), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (1804, 1772), data: False |-- (1804, 70), data: (1804, 102) @ (102, 70) |-- (304, 286), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 472), data: False |-- (500, 28), data: (500, 56) @ (56, 28) |-- (250, 222), data: True |-- (250, 222), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), 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 2026-01-09 01:28:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:28:53]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.095987830014112 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749822129999999 0.000000000000000 c -9.906148992782670 0.000000000000000 14.693748042619248 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 2 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 3 Sr 0.22396730821946 0.99892305412667 0.23350515636953 87.620 4 Sr 0.45230999744001 0.51728705136786 0.60420155748391 87.620 5 Sr 0.88779901100185 0.48613258859502 0.07846499614799 87.620 6 Sr 0.11220098899815 0.98613258859502 0.42153500385201 87.620 7 Sr 0.54769000255999 0.01728705136786 0.89579844251609 87.620 8 Sr 0.77603269178054 0.49892305412667 0.26649484363047 87.620 9 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 10 Sr 0.22396730821946 0.50107694587333 0.73350515636953 87.620 11 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 12 Sr 0.45230999744001 0.98271294863214 0.10420155748390 87.620 13 Sr 0.88779901100185 0.01386741140498 0.57846499614799 87.620 14 Sr 0.11220098899815 0.51386741140498 0.92153500385201 87.620 15 Sr 0.54769000255999 0.48271294863214 0.39579844251609 87.620 16 Sr 0.77603269178054 0.00107694587333 0.76649484363047 87.620 17 Ta 0.67107142389653 0.50764665532711 0.83345349367406 180.948 18 Ta 0.16470553151264 0.49008807217565 0.33280498487278 180.948 19 Ta 0.32892857610347 0.00764665532711 0.66654650632594 180.948 20 Ta 0.83529446848736 0.99008807217565 0.16719501512722 180.948 21 Ta 0.16470553151264 0.00991192782435 0.83280498487278 180.948 22 Ta 0.67107142389653 0.99235334467289 0.33345349367406 180.948 23 Ta 0.83529446848736 0.50991192782435 0.66719501512722 180.948 24 Ta 0.32892857610347 0.49235334467289 0.16654650632594 180.948 25 O 0.73336867976523 0.43203879165653 0.73976209476702 15.999 26 O 0.86532700806203 0.68192107087164 0.89557207602951 15.999 27 O 0.29706788022949 0.21462746238685 0.37191601425781 15.999 28 O 0.32222685100065 0.66908072142218 0.43710586375403 15.999 29 O 0.76458832662026 0.22354111878075 0.89933314993304 15.999 30 O 0.93939443020786 0.89836356977841 0.10839994569703 15.999 31 O 0.38449035652351 0.09942385250769 0.58311060980388 15.999 32 O 0.53507720460994 0.78842307258552 0.75120599528206 15.999 33 O 0.98176602088620 0.27536342886872 0.22392142321537 15.999 34 O 0.01823397911380 0.77536342886872 0.27607857678463 15.999 35 O 0.46492279539006 0.28842307258552 0.74879400471794 15.999 36 O 0.61550964347649 0.59942385250769 0.91688939019612 15.999 37 O 0.06060556979214 0.39836356977841 0.39160005430297 15.999 38 O 0.23541167337974 0.72354111878075 0.60066685006696 15.999 39 O 0.67777314899935 0.16908072142218 0.06289413624597 15.999 40 O 0.70293211977051 0.71462746238685 0.12808398574219 15.999 41 O 0.13467299193797 0.18192107087164 0.60442792397049 15.999 42 O 0.26663132023477 0.93203879165653 0.76023790523298 15.999 43 O 0.73336867976523 0.06796120834347 0.23976209476702 15.999 44 O 0.86532700806203 0.81807892912836 0.39557207602951 15.999 45 O 0.29706788022949 0.28537253761315 0.87191601425781 15.999 46 O 0.32222685100065 0.83091927857782 0.93710586375403 15.999 47 O 0.76458832662026 0.27645888121925 0.39933314993304 15.999 48 O 0.93939443020786 0.60163643022159 0.60839994569704 15.999 49 O 0.38449035652351 0.40057614749231 0.08311060980388 15.999 50 O 0.53507720460994 0.71157692741448 0.25120599528206 15.999 51 O 0.98176602088620 0.22463657113128 0.72392142321537 15.999 52 O 0.01823397911380 0.72463657113128 0.77607857678463 15.999 53 O 0.46492279539006 0.21157692741448 0.24879400471794 15.999 54 O 0.61550964347649 0.90057614749231 0.41688939019612 15.999 55 O 0.06060556979214 0.10163643022159 0.89160005430296 15.999 56 O 0.23541167337974 0.77645888121925 0.10066685006696 15.999 57 O 0.67777314899935 0.33091927857782 0.56289413624597 15.999 58 O 0.70293211977051 0.78537253761315 0.62808398574219 15.999 59 O 0.13467299193797 0.31807892912836 0.10442792397049 15.999 60 O 0.26663132023477 0.56796120834347 0.26023790523298 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.095987830014112 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499644259999998 0.000000000000000 c -9.906148992782670 0.000000000000000 14.693748042619248 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 1 3 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 3 4 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 3 5 Sr 0.22396730821946 0.49946152706333 0.23350515636953 87.620 > 5 6 Sr 0.22396730821946 0.99946152706333 0.23350515636953 87.620 > 5 7 Sr 0.45230999744001 0.25864352568393 0.60420155748391 87.620 > 7 8 Sr 0.45230999744001 0.75864352568393 0.60420155748391 87.620 > 7 9 Sr 0.88779901100185 0.24306629429751 0.07846499614799 87.620 > 9 10 Sr 0.88779901100185 0.74306629429751 0.07846499614799 87.620 > 9 11 Sr 0.11220098899815 0.49306629429751 0.42153500385201 87.620 > 11 12 Sr 0.11220098899815 0.99306629429751 0.42153500385201 87.620 > 11 13 Sr 0.54769000255999 0.00864352568393 0.89579844251609 87.620 > 13 14 Sr 0.54769000255999 0.50864352568393 0.89579844251609 87.620 > 13 15 Sr 0.77603269178054 0.24946152706333 0.26649484363047 87.620 > 15 16 Sr 0.77603269178054 0.74946152706333 0.26649484363047 87.620 > 15 17 Sr 0.00000000000000 0.25000000000000 0.50000000000000 87.620 > 17 18 Sr 0.00000000000000 0.75000000000000 0.50000000000000 87.620 > 17 19 Sr 0.22396730821946 0.25053847293667 0.73350515636953 87.620 > 19 20 Sr 0.22396730821946 0.75053847293667 0.73350515636953 87.620 > 19 21 Sr 0.50000000000000 0.25000000000000 0.00000000000000 87.620 > 21 22 Sr 0.50000000000000 0.75000000000000 0.00000000000000 87.620 > 21 23 Sr 0.45230999744001 0.49135647431607 0.10420155748390 87.620 > 23 24 Sr 0.45230999744001 0.99135647431607 0.10420155748390 87.620 > 23 25 Sr 0.88779901100185 0.00693370570249 0.57846499614799 87.620 > 25 26 Sr 0.88779901100185 0.50693370570249 0.57846499614799 87.620 > 25 27 Sr 0.11220098899815 0.25693370570249 0.92153500385201 87.620 > 27 28 Sr 0.11220098899815 0.75693370570249 0.92153500385201 87.620 > 27 29 Sr 0.54769000255999 0.24135647431607 0.39579844251609 87.620 > 29 30 Sr 0.54769000255999 0.74135647431607 0.39579844251609 87.620 > 29 31 Sr 0.77603269178054 0.00053847293667 0.76649484363047 87.620 > 31 32 Sr 0.77603269178054 0.50053847293667 0.76649484363047 87.620 > 31 33 Ta 0.67107142389653 0.25382332766355 0.83345349367406 180.948 > 33 34 Ta 0.67107142389653 0.75382332766355 0.83345349367406 180.948 > 33 35 Ta 0.16470553151264 0.24504403608783 0.33280498487278 180.948 > 35 36 Ta 0.16470553151264 0.74504403608783 0.33280498487278 180.948 > 35 37 Ta 0.32892857610347 0.00382332766355 0.66654650632594 180.948 > 37 38 Ta 0.32892857610347 0.50382332766355 0.66654650632594 180.948 > 37 39 Ta 0.83529446848736 0.49504403608783 0.16719501512722 180.948 > 39 40 Ta 0.83529446848736 0.99504403608783 0.16719501512722 180.948 > 39 41 Ta 0.16470553151264 0.00495596391217 0.83280498487278 180.948 > 41 42 Ta 0.16470553151264 0.50495596391217 0.83280498487278 180.948 > 41 43 Ta 0.67107142389653 0.49617667233645 0.33345349367406 180.948 > 43 44 Ta 0.67107142389653 0.99617667233645 0.33345349367406 180.948 > 43 45 Ta 0.83529446848736 0.25495596391217 0.66719501512722 180.948 > 45 46 Ta 0.83529446848736 0.75495596391217 0.66719501512722 180.948 > 45 47 Ta 0.32892857610347 0.24617667233645 0.16654650632594 180.948 > 47 48 Ta 0.32892857610347 0.74617667233645 0.16654650632594 180.948 > 47 49 O 0.73336867976523 0.21601939582826 0.73976209476702 15.999 > 49 50 O 0.73336867976523 0.71601939582827 0.73976209476702 15.999 > 49 51 O 0.86532700806203 0.34096053543582 0.89557207602951 15.999 > 51 52 O 0.86532700806203 0.84096053543582 0.89557207602951 15.999 > 51 53 O 0.29706788022949 0.10731373119343 0.37191601425781 15.999 > 53 54 O 0.29706788022949 0.60731373119343 0.37191601425781 15.999 > 53 55 O 0.32222685100065 0.33454036071109 0.43710586375403 15.999 > 55 56 O 0.32222685100065 0.83454036071109 0.43710586375403 15.999 > 55 57 O 0.76458832662026 0.11177055939037 0.89933314993304 15.999 > 57 58 O 0.76458832662026 0.61177055939037 0.89933314993304 15.999 > 57 59 O 0.93939443020786 0.44918178488920 0.10839994569703 15.999 > 59 60 O 0.93939443020786 0.94918178488920 0.10839994569703 15.999 > 59 61 O 0.38449035652351 0.04971192625385 0.58311060980388 15.999 > 61 62 O 0.38449035652351 0.54971192625385 0.58311060980388 15.999 > 61 63 O 0.53507720460994 0.39421153629276 0.75120599528206 15.999 > 63 64 O 0.53507720460994 0.89421153629276 0.75120599528206 15.999 > 63 65 O 0.98176602088620 0.13768171443436 0.22392142321537 15.999 > 65 66 O 0.98176602088620 0.63768171443436 0.22392142321537 15.999 > 65 67 O 0.01823397911380 0.38768171443436 0.27607857678463 15.999 > 67 68 O 0.01823397911380 0.88768171443436 0.27607857678463 15.999 > 67 69 O 0.46492279539006 0.14421153629276 0.74879400471794 15.999 > 69 70 O 0.46492279539006 0.64421153629276 0.74879400471794 15.999 > 69 71 O 0.61550964347649 0.29971192625385 0.91688939019612 15.999 > 71 72 O 0.61550964347649 0.79971192625385 0.91688939019612 15.999 > 71 73 O 0.06060556979214 0.19918178488920 0.39160005430297 15.999 > 73 74 O 0.06060556979214 0.69918178488920 0.39160005430297 15.999 > 73 75 O 0.23541167337974 0.36177055939037 0.60066685006696 15.999 > 75 76 O 0.23541167337974 0.86177055939037 0.60066685006696 15.999 > 75 77 O 0.67777314899935 0.08454036071109 0.06289413624597 15.999 > 77 78 O 0.67777314899935 0.58454036071109 0.06289413624597 15.999 > 77 79 O 0.70293211977051 0.35731373119343 0.12808398574219 15.999 > 79 80 O 0.70293211977051 0.85731373119343 0.12808398574219 15.999 > 79 81 O 0.13467299193797 0.09096053543582 0.60442792397049 15.999 > 81 82 O 0.13467299193797 0.59096053543582 0.60442792397049 15.999 > 81 83 O 0.26663132023477 0.46601939582827 0.76023790523298 15.999 > 83 84 O 0.26663132023477 0.96601939582827 0.76023790523298 15.999 > 83 85 O 0.73336867976523 0.03398060417173 0.23976209476702 15.999 > 85 86 O 0.73336867976523 0.53398060417173 0.23976209476702 15.999 > 85 87 O 0.86532700806203 0.40903946456418 0.39557207602951 15.999 > 87 88 O 0.86532700806203 0.90903946456418 0.39557207602951 15.999 > 87 89 O 0.29706788022949 0.14268626880657 0.87191601425781 15.999 > 89 90 O 0.29706788022949 0.64268626880657 0.87191601425781 15.999 > 89 91 O 0.32222685100065 0.41545963928891 0.93710586375403 15.999 > 91 92 O 0.32222685100065 0.91545963928891 0.93710586375403 15.999 > 91 93 O 0.76458832662026 0.13822944060963 0.39933314993304 15.999 > 93 94 O 0.76458832662026 0.63822944060963 0.39933314993304 15.999 > 93 95 O 0.93939443020786 0.30081821511080 0.60839994569704 15.999 > 95 96 O 0.93939443020786 0.80081821511080 0.60839994569704 15.999 > 95 97 O 0.38449035652351 0.20028807374615 0.08311060980388 15.999 > 97 98 O 0.38449035652351 0.70028807374615 0.08311060980388 15.999 > 97 99 O 0.53507720460994 0.35578846370724 0.25120599528206 15.999 > 99 100 O 0.53507720460994 0.85578846370724 0.25120599528206 15.999 > 99 101 O 0.98176602088620 0.11231828556564 0.72392142321537 15.999 > 101 102 O 0.98176602088620 0.61231828556564 0.72392142321537 15.999 > 101 103 O 0.01823397911380 0.36231828556564 0.77607857678463 15.999 > 103 104 O 0.01823397911380 0.86231828556564 0.77607857678463 15.999 > 103 105 O 0.46492279539006 0.10578846370724 0.24879400471794 15.999 > 105 106 O 0.46492279539006 0.60578846370724 0.24879400471794 15.999 > 105 107 O 0.61550964347649 0.45028807374615 0.41688939019612 15.999 > 107 108 O 0.61550964347649 0.95028807374615 0.41688939019612 15.999 > 107 109 O 0.06060556979214 0.05081821511080 0.89160005430296 15.999 > 109 110 O 0.06060556979214 0.55081821511080 0.89160005430296 15.999 > 109 111 O 0.23541167337974 0.38822944060963 0.10066685006696 15.999 > 111 112 O 0.23541167337974 0.88822944060963 0.10066685006696 15.999 > 111 113 O 0.67777314899935 0.16545963928891 0.56289413624597 15.999 > 113 114 O 0.67777314899935 0.66545963928891 0.56289413624597 15.999 > 113 115 O 0.70293211977051 0.39268626880657 0.62808398574219 15.999 > 115 116 O 0.70293211977051 0.89268626880657 0.62808398574219 15.999 > 115 117 O 0.13467299193797 0.15903946456418 0.10442792397049 15.999 > 117 118 O 0.13467299193797 0.65903946456418 0.10442792397049 15.999 > 117 119 O 0.26663132023477 0.28398060417173 0.26023790523298 15.999 > 119 120 O 0.26663132023477 0.78398060417173 0.26023790523298 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.3536297 0.0000000 0.0190487 0.0000000 4.4136723 0.0000000 0.0190455 0.0000000 4.1986941 -------------------------- Born effective charges -------------------------- 1 Sr 2.9585820 -0.1320916 0.1437483 0.1003162 2.7808780 -0.3805370 0.0352963 0.3046245 3.2202500 2 Sr 2.6909265 0.2683775 -0.0630542 -0.3248799 2.7746004 0.0049498 -0.0070974 -0.0502116 3.4914404 3 Sr 2.6537090 0.0996901 -0.0423453 0.0511244 2.8101704 0.2390688 -0.0105930 0.0778207 1.8969155 4 Sr 2.4939070 0.0167926 0.1098040 -0.1733435 2.4277205 -0.0516670 0.0186991 -0.1127463 2.5586911 5 Sr 2.3342369 -0.1935880 -0.0005324 -0.0131941 2.6010493 -0.0747424 0.0667384 -0.1100350 2.6976640 6 Sr 2.3342369 0.1935880 -0.0005324 0.0131941 2.6010493 0.0747424 0.0667384 0.1100350 2.6976640 7 Sr 2.4939070 -0.0167926 0.1098040 0.1733435 2.4277205 0.0516670 0.0186991 0.1127463 2.5586911 8 Sr 2.6537090 -0.0996901 -0.0423453 -0.0511244 2.8101704 -0.2390688 -0.0105930 -0.0778207 1.8969155 9 Sr 2.6909265 -0.2683775 -0.0630542 0.3248799 2.7746004 -0.0049498 -0.0070974 0.0502116 3.4914404 10 Sr 2.6537090 -0.0996901 -0.0423453 -0.0511244 2.8101704 -0.2390688 -0.0105930 -0.0778207 1.8969155 11 Sr 2.9585820 0.1320916 0.1437483 -0.1003162 2.7808780 0.3805370 0.0352963 -0.3046245 3.2202500 12 Sr 2.4939070 -0.0167926 0.1098040 0.1733435 2.4277205 0.0516670 0.0186991 0.1127463 2.5586911 13 Sr 2.3342369 0.1935880 -0.0005324 0.0131941 2.6010493 0.0747424 0.0667384 0.1100350 2.6976640 14 Sr 2.3342369 -0.1935880 -0.0005324 -0.0131941 2.6010493 -0.0747424 0.0667384 -0.1100350 2.6976640 15 Sr 2.4939070 0.0167926 0.1098040 -0.1733435 2.4277205 -0.0516670 0.0186991 -0.1127463 2.5586911 16 Sr 2.6537090 0.0996901 -0.0423453 0.0511244 2.8101704 0.2390688 -0.0105930 0.0778207 1.8969155 17 Ta 6.4452934 -0.2550979 -0.1719882 0.4814113 6.6017949 -0.0452645 -0.1098008 -0.0050810 5.7964114 18 Ta 6.6846190 0.0924949 0.0621690 -0.1170885 6.6691899 0.4964471 0.0262941 -0.1410179 5.7152719 19 Ta 6.4452934 0.2550979 -0.1719882 -0.4814113 6.6017949 0.0452645 -0.1098008 0.0050810 5.7964114 20 Ta 6.6846190 -0.0924949 0.0621690 0.1170885 6.6691899 -0.4964471 0.0262941 0.1410179 5.7152719 21 Ta 6.6846190 -0.0924949 0.0621690 0.1170885 6.6691899 -0.4964471 0.0262941 0.1410179 5.7152719 22 Ta 6.4452934 0.2550979 -0.1719882 -0.4814113 6.6017949 0.0452645 -0.1098008 0.0050810 5.7964114 23 Ta 6.6846190 0.0924949 0.0621690 -0.1170885 6.6691899 0.4964471 0.0262941 -0.1410179 5.7152719 24 Ta 6.4452934 -0.2550979 -0.1719882 0.4814113 6.6017949 -0.0452645 -0.1098008 -0.0050810 5.7964114 25 O -3.9163410 0.0178079 1.4079002 -0.0510554 -1.8720830 0.0755095 1.3540780 0.0812401 -2.4643915 26 O -2.8285398 -0.7931538 -0.7271115 -0.8621636 -2.3523626 -0.6179954 -0.8075824 -0.6514987 -2.1795470 27 O -2.2692548 0.7482216 -0.3432898 0.7451905 -3.1056223 0.5309704 -0.3951740 0.6399538 -2.0919092 28 O -1.8657157 -0.3687256 -0.5986068 -0.3122721 -2.4763704 -1.1057209 -0.5445218 -1.0105881 -3.1832800 29 O -1.8887222 0.3338549 -0.2691854 0.2565035 -3.2776957 0.8788146 -0.2511578 0.9598654 -2.3185664 30 O -3.2608533 0.3711552 0.8564586 0.3115929 -2.0368730 -0.2449317 0.9033572 -0.3115399 -2.1776069 31 O -2.8675990 -0.5146968 1.1324018 -0.4019941 -1.9482341 0.2126278 1.0851656 0.1659552 -2.6419274 32 O -2.3668796 1.0157618 -0.8023986 0.9791823 -3.3458501 1.1800089 -0.6453691 1.0799596 -2.4239790 33 O -2.1726142 -0.9868264 -0.6536227 -1.0068816 -3.4725731 -1.1258221 -0.7042331 -1.1356587 -2.5395918 34 O -2.1726142 0.9868264 -0.6536227 1.0068816 -3.4725731 1.1258221 -0.7042331 1.1356587 -2.5395918 35 O -2.3668796 -1.0157618 -0.8023986 -0.9791823 -3.3458501 -1.1800089 -0.6453691 -1.0799596 -2.4239790 36 O -2.8675990 0.5146968 1.1324018 0.4019941 -1.9482341 -0.2126278 1.0851656 -0.1659552 -2.6419274 37 O -3.2608533 -0.3711552 0.8564586 -0.3115929 -2.0368730 0.2449317 0.9033572 0.3115399 -2.1776069 38 O -1.8887222 -0.3338549 -0.2691854 -0.2565035 -3.2776957 -0.8788146 -0.2511578 -0.9598654 -2.3185664 39 O -1.8657157 0.3687256 -0.5986068 0.3122721 -2.4763704 1.1057209 -0.5445218 1.0105881 -3.1832800 40 O -2.2692548 -0.7482216 -0.3432898 -0.7451905 -3.1056223 -0.5309704 -0.3951740 -0.6399538 -2.0919092 41 O -2.8285398 0.7931538 -0.7271115 0.8621636 -2.3523626 0.6179954 -0.8075824 0.6514987 -2.1795470 42 O -3.9163410 -0.0178079 1.4079002 0.0510554 -1.8720830 -0.0755095 1.3540780 -0.0812401 -2.4643915 43 O -3.9163410 -0.0178079 1.4079002 0.0510554 -1.8720830 -0.0755095 1.3540780 -0.0812401 -2.4643915 44 O -2.8285398 0.7931538 -0.7271115 0.8621636 -2.3523626 0.6179954 -0.8075824 0.6514987 -2.1795470 45 O -2.2692548 -0.7482216 -0.3432898 -0.7451905 -3.1056223 -0.5309704 -0.3951740 -0.6399538 -2.0919092 46 O -1.8657157 0.3687256 -0.5986068 0.3122721 -2.4763704 1.1057209 -0.5445218 1.0105881 -3.1832800 47 O -1.8887222 -0.3338549 -0.2691854 -0.2565035 -3.2776957 -0.8788146 -0.2511578 -0.9598654 -2.3185664 48 O -3.2608533 -0.3711552 0.8564586 -0.3115929 -2.0368730 0.2449317 0.9033572 0.3115399 -2.1776069 49 O -2.8675990 0.5146968 1.1324018 0.4019941 -1.9482341 -0.2126278 1.0851656 -0.1659552 -2.6419274 50 O -2.3668796 -1.0157618 -0.8023986 -0.9791823 -3.3458501 -1.1800089 -0.6453691 -1.0799596 -2.4239790 51 O -2.1726142 0.9868264 -0.6536227 1.0068816 -3.4725731 1.1258221 -0.7042331 1.1356587 -2.5395918 52 O -2.1726142 -0.9868264 -0.6536227 -1.0068816 -3.4725731 -1.1258221 -0.7042331 -1.1356587 -2.5395918 53 O -2.3668796 1.0157618 -0.8023986 0.9791823 -3.3458501 1.1800089 -0.6453691 1.0799596 -2.4239790 54 O -2.8675990 -0.5146968 1.1324018 -0.4019941 -1.9482341 0.2126278 1.0851656 0.1659552 -2.6419274 55 O -3.2608533 0.3711552 0.8564586 0.3115929 -2.0368730 -0.2449317 0.9033572 -0.3115399 -2.1776069 56 O -1.8887222 0.3338549 -0.2691854 0.2565035 -3.2776957 0.8788146 -0.2511578 0.9598654 -2.3185664 57 O -1.8657157 -0.3687256 -0.5986068 -0.3122721 -2.4763704 -1.1057209 -0.5445218 -1.0105881 -3.1832800 58 O -2.2692548 0.7482216 -0.3432898 0.7451905 -3.1056223 0.5309704 -0.3951740 0.6399538 -2.0919092 59 O -2.8285398 -0.7931538 -0.7271115 -0.8621636 -2.3523626 -0.6179954 -0.8075824 -0.6514987 -2.1795470 60 O -3.9163410 0.0178079 1.4079002 -0.0510554 -1.8720830 0.0755095 1.3540780 0.0812401 -2.4643915 ---------------------------------------------------------------------------- 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 7, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 51, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 55, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 59, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Computing fc3[ 63, 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] 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] [-0.0056 0.0000 0.0083] [ 0.0056 0.0000 -0.0083] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (yx) -0.00000000 (yx) 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 2026-01-09 01:30:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 01:30:15]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.095987830014112 0.000000000000000 0.000000000000000 b 0.000000000000000 5.749822129999999 0.000000000000000 c -9.906148992782670 0.000000000000000 14.693748042619248 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 2 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 3 Sr 0.22396730821946 0.99892305412667 0.23350515636953 87.620 4 Sr 0.45230999744001 0.51728705136786 0.60420155748391 87.620 5 Sr 0.88779901100185 0.48613258859502 0.07846499614799 87.620 6 Sr 0.11220098899815 0.98613258859502 0.42153500385201 87.620 7 Sr 0.54769000255999 0.01728705136786 0.89579844251609 87.620 8 Sr 0.77603269178054 0.49892305412667 0.26649484363047 87.620 9 Sr 0.00000000000000 0.50000000000000 0.50000000000000 87.620 10 Sr 0.22396730821946 0.50107694587333 0.73350515636953 87.620 11 Sr 0.50000000000000 0.50000000000000 0.00000000000000 87.620 12 Sr 0.45230999744001 0.98271294863214 0.10420155748390 87.620 13 Sr 0.88779901100185 0.01386741140498 0.57846499614799 87.620 14 Sr 0.11220098899815 0.51386741140498 0.92153500385201 87.620 15 Sr 0.54769000255999 0.48271294863214 0.39579844251609 87.620 16 Sr 0.77603269178054 0.00107694587333 0.76649484363047 87.620 17 Ta 0.67107142389653 0.50764665532711 0.83345349367406 180.948 18 Ta 0.16470553151264 0.49008807217565 0.33280498487278 180.948 19 Ta 0.32892857610347 0.00764665532711 0.66654650632594 180.948 20 Ta 0.83529446848736 0.99008807217565 0.16719501512722 180.948 21 Ta 0.16470553151264 0.00991192782435 0.83280498487278 180.948 22 Ta 0.67107142389653 0.99235334467289 0.33345349367406 180.948 23 Ta 0.83529446848736 0.50991192782435 0.66719501512722 180.948 24 Ta 0.32892857610347 0.49235334467289 0.16654650632594 180.948 25 O 0.73336867976523 0.43203879165653 0.73976209476702 15.999 26 O 0.86532700806203 0.68192107087164 0.89557207602951 15.999 27 O 0.29706788022949 0.21462746238685 0.37191601425781 15.999 28 O 0.32222685100065 0.66908072142218 0.43710586375403 15.999 29 O 0.76458832662026 0.22354111878075 0.89933314993304 15.999 30 O 0.93939443020786 0.89836356977841 0.10839994569703 15.999 31 O 0.38449035652351 0.09942385250769 0.58311060980388 15.999 32 O 0.53507720460994 0.78842307258552 0.75120599528206 15.999 33 O 0.98176602088620 0.27536342886872 0.22392142321537 15.999 34 O 0.01823397911380 0.77536342886872 0.27607857678463 15.999 35 O 0.46492279539006 0.28842307258552 0.74879400471794 15.999 36 O 0.61550964347649 0.59942385250769 0.91688939019612 15.999 37 O 0.06060556979214 0.39836356977841 0.39160005430297 15.999 38 O 0.23541167337974 0.72354111878075 0.60066685006696 15.999 39 O 0.67777314899935 0.16908072142218 0.06289413624597 15.999 40 O 0.70293211977051 0.71462746238685 0.12808398574219 15.999 41 O 0.13467299193797 0.18192107087164 0.60442792397049 15.999 42 O 0.26663132023477 0.93203879165653 0.76023790523298 15.999 43 O 0.73336867976523 0.06796120834347 0.23976209476702 15.999 44 O 0.86532700806203 0.81807892912836 0.39557207602951 15.999 45 O 0.29706788022949 0.28537253761315 0.87191601425781 15.999 46 O 0.32222685100065 0.83091927857782 0.93710586375403 15.999 47 O 0.76458832662026 0.27645888121925 0.39933314993304 15.999 48 O 0.93939443020786 0.60163643022159 0.60839994569704 15.999 49 O 0.38449035652351 0.40057614749231 0.08311060980388 15.999 50 O 0.53507720460994 0.71157692741448 0.25120599528206 15.999 51 O 0.98176602088620 0.22463657113128 0.72392142321537 15.999 52 O 0.01823397911380 0.72463657113128 0.77607857678463 15.999 53 O 0.46492279539006 0.21157692741448 0.24879400471794 15.999 54 O 0.61550964347649 0.90057614749231 0.41688939019612 15.999 55 O 0.06060556979214 0.10163643022159 0.89160005430296 15.999 56 O 0.23541167337974 0.77645888121925 0.10066685006696 15.999 57 O 0.67777314899935 0.33091927857782 0.56289413624597 15.999 58 O 0.70293211977051 0.78537253761315 0.62808398574219 15.999 59 O 0.13467299193797 0.31807892912836 0.10442792397049 15.999 60 O 0.26663132023477 0.56796120834347 0.26023790523298 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.095987830014112 0.000000000000000 0.000000000000000 b 0.000000000000000 11.499644259999998 0.000000000000000 c -9.906148992782670 0.000000000000000 14.693748042619248 Atomic positions (fractional): 1 Sr 0.50000000000000 0.00000000000000 0.50000000000000 87.620 > 1 2 Sr 0.50000000000000 0.50000000000000 0.50000000000000 87.620 > 1 3 Sr 0.00000000000000 0.00000000000000 0.00000000000000 87.620 > 3 4 Sr 0.00000000000000 0.50000000000000 0.00000000000000 87.620 > 3 5 Sr 0.22396730821946 0.49946152706333 0.23350515636953 87.620 > 5 6 Sr 0.22396730821946 0.99946152706333 0.23350515636953 87.620 > 5 7 Sr 0.45230999744001 0.25864352568393 0.60420155748391 87.620 > 7 8 Sr 0.45230999744001 0.75864352568393 0.60420155748391 87.620 > 7 9 Sr 0.88779901100185 0.24306629429751 0.07846499614799 87.620 > 9 10 Sr 0.88779901100185 0.74306629429751 0.07846499614799 87.620 > 9 11 Sr 0.11220098899815 0.49306629429751 0.42153500385201 87.620 > 11 12 Sr 0.11220098899815 0.99306629429751 0.42153500385201 87.620 > 11 13 Sr 0.54769000255999 0.00864352568393 0.89579844251609 87.620 > 13 14 Sr 0.54769000255999 0.50864352568393 0.89579844251609 87.620 > 13 15 Sr 0.77603269178054 0.24946152706333 0.26649484363047 87.620 > 15 16 Sr 0.77603269178054 0.74946152706333 0.26649484363047 87.620 > 15 17 Sr 0.00000000000000 0.25000000000000 0.50000000000000 87.620 > 17 18 Sr 0.00000000000000 0.75000000000000 0.50000000000000 87.620 > 17 19 Sr 0.22396730821946 0.25053847293667 0.73350515636953 87.620 > 19 20 Sr 0.22396730821946 0.75053847293667 0.73350515636953 87.620 > 19 21 Sr 0.50000000000000 0.25000000000000 0.00000000000000 87.620 > 21 22 Sr 0.50000000000000 0.75000000000000 0.00000000000000 87.620 > 21 23 Sr 0.45230999744001 0.49135647431607 0.10420155748390 87.620 > 23 24 Sr 0.45230999744001 0.99135647431607 0.10420155748390 87.620 > 23 25 Sr 0.88779901100185 0.00693370570249 0.57846499614799 87.620 > 25 26 Sr 0.88779901100185 0.50693370570249 0.57846499614799 87.620 > 25 27 Sr 0.11220098899815 0.25693370570249 0.92153500385201 87.620 > 27 28 Sr 0.11220098899815 0.75693370570249 0.92153500385201 87.620 > 27 29 Sr 0.54769000255999 0.24135647431607 0.39579844251609 87.620 > 29 30 Sr 0.54769000255999 0.74135647431607 0.39579844251609 87.620 > 29 31 Sr 0.77603269178054 0.00053847293667 0.76649484363047 87.620 > 31 32 Sr 0.77603269178054 0.50053847293667 0.76649484363047 87.620 > 31 33 Ta 0.67107142389653 0.25382332766355 0.83345349367406 180.948 > 33 34 Ta 0.67107142389653 0.75382332766355 0.83345349367406 180.948 > 33 35 Ta 0.16470553151264 0.24504403608783 0.33280498487278 180.948 > 35 36 Ta 0.16470553151264 0.74504403608783 0.33280498487278 180.948 > 35 37 Ta 0.32892857610347 0.00382332766355 0.66654650632594 180.948 > 37 38 Ta 0.32892857610347 0.50382332766355 0.66654650632594 180.948 > 37 39 Ta 0.83529446848736 0.49504403608783 0.16719501512722 180.948 > 39 40 Ta 0.83529446848736 0.99504403608783 0.16719501512722 180.948 > 39 41 Ta 0.16470553151264 0.00495596391217 0.83280498487278 180.948 > 41 42 Ta 0.16470553151264 0.50495596391217 0.83280498487278 180.948 > 41 43 Ta 0.67107142389653 0.49617667233645 0.33345349367406 180.948 > 43 44 Ta 0.67107142389653 0.99617667233645 0.33345349367406 180.948 > 43 45 Ta 0.83529446848736 0.25495596391217 0.66719501512722 180.948 > 45 46 Ta 0.83529446848736 0.75495596391217 0.66719501512722 180.948 > 45 47 Ta 0.32892857610347 0.24617667233645 0.16654650632594 180.948 > 47 48 Ta 0.32892857610347 0.74617667233645 0.16654650632594 180.948 > 47 49 O 0.73336867976523 0.21601939582826 0.73976209476702 15.999 > 49 50 O 0.73336867976523 0.71601939582827 0.73976209476702 15.999 > 49 51 O 0.86532700806203 0.34096053543582 0.89557207602951 15.999 > 51 52 O 0.86532700806203 0.84096053543582 0.89557207602951 15.999 > 51 53 O 0.29706788022949 0.10731373119343 0.37191601425781 15.999 > 53 54 O 0.29706788022949 0.60731373119343 0.37191601425781 15.999 > 53 55 O 0.32222685100065 0.33454036071109 0.43710586375403 15.999 > 55 56 O 0.32222685100065 0.83454036071109 0.43710586375403 15.999 > 55 57 O 0.76458832662026 0.11177055939037 0.89933314993304 15.999 > 57 58 O 0.76458832662026 0.61177055939037 0.89933314993304 15.999 > 57 59 O 0.93939443020786 0.44918178488920 0.10839994569703 15.999 > 59 60 O 0.93939443020786 0.94918178488920 0.10839994569703 15.999 > 59 61 O 0.38449035652351 0.04971192625385 0.58311060980388 15.999 > 61 62 O 0.38449035652351 0.54971192625385 0.58311060980388 15.999 > 61 63 O 0.53507720460994 0.39421153629276 0.75120599528206 15.999 > 63 64 O 0.53507720460994 0.89421153629276 0.75120599528206 15.999 > 63 65 O 0.98176602088620 0.13768171443436 0.22392142321537 15.999 > 65 66 O 0.98176602088620 0.63768171443436 0.22392142321537 15.999 > 65 67 O 0.01823397911380 0.38768171443436 0.27607857678463 15.999 > 67 68 O 0.01823397911380 0.88768171443436 0.27607857678463 15.999 > 67 69 O 0.46492279539006 0.14421153629276 0.74879400471794 15.999 > 69 70 O 0.46492279539006 0.64421153629276 0.74879400471794 15.999 > 69 71 O 0.61550964347649 0.29971192625385 0.91688939019612 15.999 > 71 72 O 0.61550964347649 0.79971192625385 0.91688939019612 15.999 > 71 73 O 0.06060556979214 0.19918178488920 0.39160005430297 15.999 > 73 74 O 0.06060556979214 0.69918178488920 0.39160005430297 15.999 > 73 75 O 0.23541167337974 0.36177055939037 0.60066685006696 15.999 > 75 76 O 0.23541167337974 0.86177055939037 0.60066685006696 15.999 > 75 77 O 0.67777314899935 0.08454036071109 0.06289413624597 15.999 > 77 78 O 0.67777314899935 0.58454036071109 0.06289413624597 15.999 > 77 79 O 0.70293211977051 0.35731373119343 0.12808398574219 15.999 > 79 80 O 0.70293211977051 0.85731373119343 0.12808398574219 15.999 > 79 81 O 0.13467299193797 0.09096053543582 0.60442792397049 15.999 > 81 82 O 0.13467299193797 0.59096053543582 0.60442792397049 15.999 > 81 83 O 0.26663132023477 0.46601939582827 0.76023790523298 15.999 > 83 84 O 0.26663132023477 0.96601939582827 0.76023790523298 15.999 > 83 85 O 0.73336867976523 0.03398060417173 0.23976209476702 15.999 > 85 86 O 0.73336867976523 0.53398060417173 0.23976209476702 15.999 > 85 87 O 0.86532700806203 0.40903946456418 0.39557207602951 15.999 > 87 88 O 0.86532700806203 0.90903946456418 0.39557207602951 15.999 > 87 89 O 0.29706788022949 0.14268626880657 0.87191601425781 15.999 > 89 90 O 0.29706788022949 0.64268626880657 0.87191601425781 15.999 > 89 91 O 0.32222685100065 0.41545963928891 0.93710586375403 15.999 > 91 92 O 0.32222685100065 0.91545963928891 0.93710586375403 15.999 > 91 93 O 0.76458832662026 0.13822944060963 0.39933314993304 15.999 > 93 94 O 0.76458832662026 0.63822944060963 0.39933314993304 15.999 > 93 95 O 0.93939443020786 0.30081821511080 0.60839994569704 15.999 > 95 96 O 0.93939443020786 0.80081821511080 0.60839994569704 15.999 > 95 97 O 0.38449035652351 0.20028807374615 0.08311060980388 15.999 > 97 98 O 0.38449035652351 0.70028807374615 0.08311060980388 15.999 > 97 99 O 0.53507720460994 0.35578846370724 0.25120599528206 15.999 > 99 100 O 0.53507720460994 0.85578846370724 0.25120599528206 15.999 > 99 101 O 0.98176602088620 0.11231828556564 0.72392142321537 15.999 > 101 102 O 0.98176602088620 0.61231828556564 0.72392142321537 15.999 > 101 103 O 0.01823397911380 0.36231828556564 0.77607857678463 15.999 > 103 104 O 0.01823397911380 0.86231828556564 0.77607857678463 15.999 > 103 105 O 0.46492279539006 0.10578846370724 0.24879400471794 15.999 > 105 106 O 0.46492279539006 0.60578846370724 0.24879400471794 15.999 > 105 107 O 0.61550964347649 0.45028807374615 0.41688939019612 15.999 > 107 108 O 0.61550964347649 0.95028807374615 0.41688939019612 15.999 > 107 109 O 0.06060556979214 0.05081821511080 0.89160005430296 15.999 > 109 110 O 0.06060556979214 0.55081821511080 0.89160005430296 15.999 > 109 111 O 0.23541167337974 0.38822944060963 0.10066685006696 15.999 > 111 112 O 0.23541167337974 0.88822944060963 0.10066685006696 15.999 > 111 113 O 0.67777314899935 0.16545963928891 0.56289413624597 15.999 > 113 114 O 0.67777314899935 0.66545963928891 0.56289413624597 15.999 > 113 115 O 0.70293211977051 0.39268626880657 0.62808398574219 15.999 > 115 116 O 0.70293211977051 0.89268626880657 0.62808398574219 15.999 > 115 117 O 0.13467299193797 0.15903946456418 0.10442792397049 15.999 > 117 118 O 0.13467299193797 0.65903946456418 0.10442792397049 15.999 > 117 119 O 0.26663132023477 0.28398060417173 0.26023790523298 15.999 > 119 120 O 0.26663132023477 0.78398060417173 0.26023790523298 15.999 > 119 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.3536297 0.0000000 0.0190487 0.0000000 4.4136723 0.0000000 0.0190455 0.0000000 4.1986941 -------------------------- Born effective charges -------------------------- 1 Sr 2.9585820 -0.1320916 0.1437483 0.1003162 2.7808780 -0.3805370 0.0352963 0.3046245 3.2202500 2 Sr 2.6909265 0.2683775 -0.0630542 -0.3248799 2.7746004 0.0049498 -0.0070974 -0.0502116 3.4914404 3 Sr 2.6537090 0.0996901 -0.0423453 0.0511244 2.8101704 0.2390688 -0.0105930 0.0778207 1.8969155 4 Sr 2.4939070 0.0167926 0.1098040 -0.1733435 2.4277205 -0.0516670 0.0186991 -0.1127463 2.5586911 5 Sr 2.3342369 -0.1935880 -0.0005324 -0.0131941 2.6010493 -0.0747424 0.0667384 -0.1100350 2.6976640 6 Sr 2.3342369 0.1935880 -0.0005324 0.0131941 2.6010493 0.0747424 0.0667384 0.1100350 2.6976640 7 Sr 2.4939070 -0.0167926 0.1098040 0.1733435 2.4277205 0.0516670 0.0186991 0.1127463 2.5586911 8 Sr 2.6537090 -0.0996901 -0.0423453 -0.0511244 2.8101704 -0.2390688 -0.0105930 -0.0778207 1.8969155 9 Sr 2.6909265 -0.2683775 -0.0630542 0.3248799 2.7746004 -0.0049498 -0.0070974 0.0502116 3.4914404 10 Sr 2.6537090 -0.0996901 -0.0423453 -0.0511244 2.8101704 -0.2390688 -0.0105930 -0.0778207 1.8969155 11 Sr 2.9585820 0.1320916 0.1437483 -0.1003162 2.7808780 0.3805370 0.0352963 -0.3046245 3.2202500 12 Sr 2.4939070 -0.0167926 0.1098040 0.1733435 2.4277205 0.0516670 0.0186991 0.1127463 2.5586911 13 Sr 2.3342369 0.1935880 -0.0005324 0.0131941 2.6010493 0.0747424 0.0667384 0.1100350 2.6976640 14 Sr 2.3342369 -0.1935880 -0.0005324 -0.0131941 2.6010493 -0.0747424 0.0667384 -0.1100350 2.6976640 15 Sr 2.4939070 0.0167926 0.1098040 -0.1733435 2.4277205 -0.0516670 0.0186991 -0.1127463 2.5586911 16 Sr 2.6537090 0.0996901 -0.0423453 0.0511244 2.8101704 0.2390688 -0.0105930 0.0778207 1.8969155 17 Ta 6.4452934 -0.2550979 -0.1719882 0.4814113 6.6017949 -0.0452645 -0.1098008 -0.0050810 5.7964114 18 Ta 6.6846190 0.0924949 0.0621690 -0.1170885 6.6691899 0.4964471 0.0262941 -0.1410179 5.7152719 19 Ta 6.4452934 0.2550979 -0.1719882 -0.4814113 6.6017949 0.0452645 -0.1098008 0.0050810 5.7964114 20 Ta 6.6846190 -0.0924949 0.0621690 0.1170885 6.6691899 -0.4964471 0.0262941 0.1410179 5.7152719 21 Ta 6.6846190 -0.0924949 0.0621690 0.1170885 6.6691899 -0.4964471 0.0262941 0.1410179 5.7152719 22 Ta 6.4452934 0.2550979 -0.1719882 -0.4814113 6.6017949 0.0452645 -0.1098008 0.0050810 5.7964114 23 Ta 6.6846190 0.0924949 0.0621690 -0.1170885 6.6691899 0.4964471 0.0262941 -0.1410179 5.7152719 24 Ta 6.4452934 -0.2550979 -0.1719882 0.4814113 6.6017949 -0.0452645 -0.1098008 -0.0050810 5.7964114 25 O -3.9163410 0.0178079 1.4079002 -0.0510554 -1.8720830 0.0755095 1.3540780 0.0812401 -2.4643915 26 O -2.8285398 -0.7931538 -0.7271115 -0.8621636 -2.3523626 -0.6179954 -0.8075824 -0.6514987 -2.1795470 27 O -2.2692548 0.7482216 -0.3432898 0.7451905 -3.1056223 0.5309704 -0.3951740 0.6399538 -2.0919092 28 O -1.8657157 -0.3687256 -0.5986068 -0.3122721 -2.4763704 -1.1057209 -0.5445218 -1.0105881 -3.1832800 29 O -1.8887222 0.3338549 -0.2691854 0.2565035 -3.2776957 0.8788146 -0.2511578 0.9598654 -2.3185664 30 O -3.2608533 0.3711552 0.8564586 0.3115929 -2.0368730 -0.2449317 0.9033572 -0.3115399 -2.1776069 31 O -2.8675990 -0.5146968 1.1324018 -0.4019941 -1.9482341 0.2126278 1.0851656 0.1659552 -2.6419274 32 O -2.3668796 1.0157618 -0.8023986 0.9791823 -3.3458501 1.1800089 -0.6453691 1.0799596 -2.4239790 33 O -2.1726142 -0.9868264 -0.6536227 -1.0068816 -3.4725731 -1.1258221 -0.7042331 -1.1356587 -2.5395918 34 O -2.1726142 0.9868264 -0.6536227 1.0068816 -3.4725731 1.1258221 -0.7042331 1.1356587 -2.5395918 35 O -2.3668796 -1.0157618 -0.8023986 -0.9791823 -3.3458501 -1.1800089 -0.6453691 -1.0799596 -2.4239790 36 O -2.8675990 0.5146968 1.1324018 0.4019941 -1.9482341 -0.2126278 1.0851656 -0.1659552 -2.6419274 37 O -3.2608533 -0.3711552 0.8564586 -0.3115929 -2.0368730 0.2449317 0.9033572 0.3115399 -2.1776069 38 O -1.8887222 -0.3338549 -0.2691854 -0.2565035 -3.2776957 -0.8788146 -0.2511578 -0.9598654 -2.3185664 39 O -1.8657157 0.3687256 -0.5986068 0.3122721 -2.4763704 1.1057209 -0.5445218 1.0105881 -3.1832800 40 O -2.2692548 -0.7482216 -0.3432898 -0.7451905 -3.1056223 -0.5309704 -0.3951740 -0.6399538 -2.0919092 41 O -2.8285398 0.7931538 -0.7271115 0.8621636 -2.3523626 0.6179954 -0.8075824 0.6514987 -2.1795470 42 O -3.9163410 -0.0178079 1.4079002 0.0510554 -1.8720830 -0.0755095 1.3540780 -0.0812401 -2.4643915 43 O -3.9163410 -0.0178079 1.4079002 0.0510554 -1.8720830 -0.0755095 1.3540780 -0.0812401 -2.4643915 44 O -2.8285398 0.7931538 -0.7271115 0.8621636 -2.3523626 0.6179954 -0.8075824 0.6514987 -2.1795470 45 O -2.2692548 -0.7482216 -0.3432898 -0.7451905 -3.1056223 -0.5309704 -0.3951740 -0.6399538 -2.0919092 46 O -1.8657157 0.3687256 -0.5986068 0.3122721 -2.4763704 1.1057209 -0.5445218 1.0105881 -3.1832800 47 O -1.8887222 -0.3338549 -0.2691854 -0.2565035 -3.2776957 -0.8788146 -0.2511578 -0.9598654 -2.3185664 48 O -3.2608533 -0.3711552 0.8564586 -0.3115929 -2.0368730 0.2449317 0.9033572 0.3115399 -2.1776069 49 O -2.8675990 0.5146968 1.1324018 0.4019941 -1.9482341 -0.2126278 1.0851656 -0.1659552 -2.6419274 50 O -2.3668796 -1.0157618 -0.8023986 -0.9791823 -3.3458501 -1.1800089 -0.6453691 -1.0799596 -2.4239790 51 O -2.1726142 0.9868264 -0.6536227 1.0068816 -3.4725731 1.1258221 -0.7042331 1.1356587 -2.5395918 52 O -2.1726142 -0.9868264 -0.6536227 -1.0068816 -3.4725731 -1.1258221 -0.7042331 -1.1356587 -2.5395918 53 O -2.3668796 1.0157618 -0.8023986 0.9791823 -3.3458501 1.1800089 -0.6453691 1.0799596 -2.4239790 54 O -2.8675990 -0.5146968 1.1324018 -0.4019941 -1.9482341 0.2126278 1.0851656 0.1659552 -2.6419274 55 O -3.2608533 0.3711552 0.8564586 0.3115929 -2.0368730 -0.2449317 0.9033572 -0.3115399 -2.1776069 56 O -1.8887222 0.3338549 -0.2691854 0.2565035 -3.2776957 0.8788146 -0.2511578 0.9598654 -2.3185664 57 O -1.8657157 -0.3687256 -0.5986068 -0.3122721 -2.4763704 -1.1057209 -0.5445218 -1.0105881 -3.1832800 58 O -2.2692548 0.7482216 -0.3432898 0.7451905 -3.1056223 0.5309704 -0.3951740 0.6399538 -2.0919092 59 O -2.8285398 -0.7931538 -0.7271115 -0.8621636 -2.3523626 -0.6179954 -0.8075824 -0.6514987 -2.1795470 60 O -3.9163410 0.0178079 1.4079002 -0.0510554 -1.8720830 0.0755095 1.3540780 0.0812401 -2.4643915 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) 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 9 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/50) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.714 ( 0.000 0.000 0.000) 0.000 1.751 ( 0.000 0.000 0.000) 0.000 1.774 ( 0.000 0.000 0.000) 0.000 1.947 ( 0.000 0.000 0.000) 0.000 2.061 ( 0.000 0.000 0.000) 0.000 2.205 ( 0.000 0.000 0.000) 0.000 2.256 ( 0.000 0.000 0.000) 0.000 2.283 ( 0.000 0.000 0.000) 0.000 2.441 ( 0.000 0.000 0.000) 0.000 2.466 ( 0.000 0.000 0.000) 0.000 2.467 ( 0.000 0.000 0.000) 0.000 2.577 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.721 ( 0.000 0.000 0.000) 0.000 2.731 ( 0.000 0.000 0.000) 0.000 2.825 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.866 ( 0.000 0.000 0.000) 0.000 2.926 ( 0.000 0.000 0.000) 0.000 2.944 ( 0.000 0.000 0.000) 0.000 3.018 ( 0.000 0.000 0.000) 0.000 3.056 ( 0.000 0.000 0.000) 0.000 3.065 ( 0.000 0.000 0.000) 0.000 3.068 ( 0.000 0.000 0.000) 0.000 3.191 ( 0.000 0.000 0.000) 0.000 3.319 ( 0.000 0.000 0.000) 0.000 3.324 ( 0.000 0.000 0.000) 0.000 3.348 ( 0.000 0.000 0.000) 0.000 3.360 ( 0.000 0.000 0.000) 0.000 3.407 ( 0.000 0.000 0.000) 0.000 3.554 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.728 ( 0.000 0.000 0.000) 0.000 3.733 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 4.016 ( 0.000 0.000 0.000) 0.000 4.149 ( 0.000 0.000 0.000) 0.000 4.150 ( 0.000 0.000 0.000) 0.000 4.152 ( 0.000 0.000 0.000) 0.000 4.258 ( 0.000 0.000 0.000) 0.000 4.260 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.357 ( 0.000 0.000 0.000) 0.000 4.427 ( 0.000 0.000 0.000) 0.000 4.440 ( 0.000 0.000 0.000) 0.000 4.467 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.486 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.569 ( 0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.744 ( 0.000 0.000 0.000) 0.000 4.866 ( 0.000 0.000 0.000) 0.000 4.876 ( 0.000 0.000 0.000) 0.000 4.925 ( 0.000 0.000 0.000) 0.000 4.959 ( 0.000 0.000 0.000) 0.000 4.979 ( 0.000 0.000 0.000) 0.000 5.016 ( 0.000 0.000 0.000) 0.000 5.054 ( 0.000 0.000 0.000) 0.000 5.129 ( 0.000 0.000 0.000) 0.000 5.166 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.275 ( 0.000 0.000 0.000) 0.000 5.353 ( 0.000 0.000 0.000) 0.000 5.387 ( 0.000 0.000 0.000) 0.000 5.396 ( 0.000 0.000 0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.629 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.772 ( 0.000 0.000 0.000) 0.000 5.829 ( 0.000 0.000 0.000) 0.000 5.852 ( 0.000 0.000 0.000) 0.000 6.074 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.404 ( 0.000 0.000 0.000) 0.000 6.425 ( 0.000 0.000 0.000) 0.000 6.456 ( 0.000 0.000 0.000) 0.000 6.622 ( 0.000 0.000 0.000) 0.000 6.743 ( 0.000 0.000 0.000) 0.000 6.795 ( 0.000 0.000 0.000) 0.000 6.876 ( 0.000 0.000 0.000) 0.000 6.948 ( 0.000 0.000 0.000) 0.000 6.978 ( 0.000 0.000 0.000) 0.000 6.993 ( 0.000 0.000 0.000) 0.000 7.197 ( 0.000 0.000 0.000) 0.000 7.212 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.447 ( 0.000 0.000 0.000) 0.000 7.684 ( 0.000 0.000 0.000) 0.000 7.734 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 7.805 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 7.991 ( 0.000 0.000 0.000) 0.000 8.045 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.378 ( 0.000 0.000 0.000) 0.000 8.499 ( 0.000 0.000 0.000) 0.000 8.602 ( 0.000 0.000 0.000) 0.000 8.734 ( 0.000 0.000 0.000) 0.000 8.886 ( 0.000 0.000 0.000) 0.000 8.911 ( 0.000 0.000 0.000) 0.000 8.913 ( 0.000 0.000 0.000) 0.000 9.180 ( 0.000 0.000 0.000) 0.000 9.221 ( 0.000 0.000 0.000) 0.000 9.515 ( 0.000 0.000 0.000) 0.000 9.521 ( 0.000 0.000 0.000) 0.000 10.108 ( 0.000 0.000 0.000) 0.000 10.172 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.454 ( 0.000 0.000 0.000) 0.000 10.708 ( 0.000 0.000 0.000) 0.000 10.840 ( 0.000 0.000 0.000) 0.000 10.877 ( 0.000 0.000 0.000) 0.000 10.903 ( 0.000 0.000 0.000) 0.000 11.084 ( 0.000 0.000 0.000) 0.000 11.161 ( 0.000 0.000 0.000) 0.000 11.178 ( 0.000 0.000 0.000) 0.000 11.363 ( 0.000 0.000 0.000) 0.000 11.393 ( 0.000 0.000 0.000) 0.000 11.681 ( 0.000 0.000 0.000) 0.000 11.778 ( 0.000 0.000 0.000) 0.000 12.147 ( 0.000 0.000 0.000) 0.000 12.157 ( 0.000 0.000 0.000) 0.000 12.323 ( 0.000 0.000 0.000) 0.000 12.347 ( 0.000 0.000 0.000) 0.000 12.534 ( 0.000 0.000 0.000) 0.000 12.639 ( 0.000 0.000 0.000) 0.000 12.677 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.710 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 12.937 ( 0.000 0.000 0.000) 0.000 13.003 ( 0.000 0.000 0.000) 0.000 13.151 ( 0.000 0.000 0.000) 0.000 13.325 ( 0.000 0.000 0.000) 0.000 14.349 ( 0.000 0.000 0.000) 0.000 14.395 ( 0.000 0.000 0.000) 0.000 14.447 ( 0.000 0.000 0.000) 0.000 14.502 ( 0.000 0.000 0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 14.702 ( 0.000 0.000 0.000) 0.000 15.131 ( 0.000 0.000 0.000) 0.000 15.156 ( 0.000 0.000 0.000) 0.000 15.168 ( 0.000 0.000 0.000) 0.000 15.280 ( 0.000 0.000 0.000) 0.000 15.568 ( 0.000 0.000 0.000) 0.000 17.909 ( 0.000 0.000 0.000) 0.000 18.007 ( 0.000 0.000 0.000) 0.000 18.141 ( 0.000 0.000 0.000) 0.000 18.212 ( 0.000 0.000 0.000) 0.000 18.247 ( 0.000 0.000 0.000) 0.000 18.384 ( 0.000 0.000 0.000) 0.000 18.460 ( 0.000 0.000 0.000) 0.000 18.479 ( 0.000 0.000 0.000) 0.000 18.492 ( 0.000 0.000 0.000) 0.000 18.569 ( 0.000 0.000 0.000) 0.000 18.912 ( 0.000 0.000 0.000) 0.000 18.916 ( 0.000 0.000 0.000) 0.000 18.969 ( 0.000 0.000 0.000) 0.000 19.067 ( 0.000 0.000 0.000) 0.000 19.802 ( 0.000 0.000 0.000) 0.000 21.177 ( 0.000 0.000 0.000) 0.000 21.533 ( 0.000 0.000 0.000) 0.000 23.111 ( 0.000 0.000 0.000) 0.000 23.237 ( 0.000 0.000 0.000) 0.000 23.301 ( 0.000 0.000 0.000) 0.000 23.399 ( 0.000 0.000 0.000) 0.000 23.427 ( 0.000 0.000 0.000) 0.000 23.487 ( 0.000 0.000 0.000) 0.000 23.541 ( 0.000 0.000 0.000) 0.000 23.939 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/50) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( 20.259 0.000 15.578) 25.556 0.536 ( 19.843 0.000 18.424) 27.077 1.002 ( 40.717 0.000 25.470) 48.027 1.614 ( -1.358 0.000 -20.920) 20.964 1.643 ( 6.321 0.000 -17.020) 18.156 1.747 ( -3.387 0.000 1.524) 3.714 1.807 ( 1.384 0.000 3.823) 4.066 1.972 ( 2.370 0.000 5.895) 6.353 2.092 ( -9.446 0.000 0.554) 9.462 2.146 ( -0.256 0.000 8.752) 8.756 2.177 ( -7.364 0.000 -0.297) 7.370 2.335 ( -1.171 0.000 3.553) 3.741 2.421 ( -4.443 0.000 -1.134) 4.585 2.422 ( 1.794 0.000 -7.429) 7.642 2.471 ( 0.075 0.000 -0.206) 0.220 2.541 ( -1.259 0.000 1.864) 2.249 2.630 ( 0.118 0.000 2.486) 2.489 2.674 ( -4.589 0.000 -0.135) 4.591 2.702 ( -0.694 0.000 -0.498) 0.854 2.723 ( 6.478 0.000 -4.985) 8.174 2.817 ( -4.822 0.000 0.671) 4.869 2.895 ( -4.988 0.000 -4.661) 6.827 2.926 ( -2.607 0.000 0.509) 2.656 2.969 ( 0.059 0.000 4.469) 4.469 3.008 ( -1.574 0.000 3.657) 3.981 3.055 ( 6.083 0.000 -2.922) 6.749 3.111 ( 3.408 0.000 -9.046) 9.667 3.207 ( 13.229 0.000 -1.905) 13.365 3.258 ( 2.301 0.000 -4.492) 5.047 3.320 ( 7.415 0.000 -0.358) 7.424 3.321 ( 5.285 0.000 -6.902) 8.693 3.361 ( -0.188 0.000 2.131) 2.140 3.405 ( -6.153 0.000 5.569) 8.299 3.443 ( 1.499 0.000 9.224) 9.345 3.632 ( -3.255 0.000 0.018) 3.255 3.643 ( 6.484 0.000 2.707) 7.027 3.727 ( -0.015 0.000 -2.920) 2.920 3.750 ( 3.638 0.000 -1.478) 3.927 3.898 ( -11.123 0.000 -0.661) 11.142 3.965 ( 0.399 0.000 3.435) 3.458 4.078 ( -10.843 0.000 -2.652) 11.163 4.098 ( -4.015 0.000 1.594) 4.319 4.181 ( -3.341 0.000 2.395) 4.111 4.182 ( 4.192 0.000 -6.961) 8.125 4.242 ( -8.912 0.000 -5.733) 10.597 4.307 ( -10.948 0.000 -1.553) 11.057 4.330 ( 0.836 0.000 3.221) 3.328 4.359 ( -4.359 0.000 -3.991) 5.910 4.400 ( -2.981 0.000 0.128) 2.983 4.439 ( -1.776 0.000 0.959) 2.018 4.466 ( -5.044 0.000 -4.048) 6.467 4.539 ( 0.834 0.000 4.801) 4.872 4.563 ( 0.056 0.000 6.618) 6.619 4.614 ( -0.968 0.000 8.537) 8.592 4.685 ( 2.008 0.000 2.606) 3.290 4.721 ( 2.946 0.000 -7.240) 7.816 4.808 ( -4.978 0.000 -5.359) 7.314 4.864 ( 1.172 0.000 -0.678) 1.354 4.912 ( -5.325 0.000 0.183) 5.328 4.957 ( 2.176 0.000 1.492) 2.638 4.999 ( -2.894 0.000 1.975) 3.504 5.097 ( 4.681 0.000 8.358) 9.580 5.119 ( -0.131 0.000 -0.491) 0.508 5.154 ( 0.255 0.000 -0.896) 0.932 5.191 ( 2.571 0.000 -0.868) 2.713 5.265 ( -0.310 0.000 -8.411) 8.417 5.336 ( 2.719 0.000 4.490) 5.249 5.361 ( -3.989 0.000 -2.317) 4.614 5.439 ( -1.832 0.000 -0.664) 1.949 5.500 ( 4.048 0.000 -1.384) 4.278 5.638 ( 2.513 0.000 -1.939) 3.174 5.651 ( 5.885 0.000 7.704) 9.695 5.712 ( -2.990 0.000 8.589) 9.095 5.753 ( -2.222 0.000 -0.300) 2.242 5.814 ( 3.079 0.000 -2.868) 4.207 6.010 ( 1.573 0.000 -2.358) 2.834 6.113 ( 4.547 0.000 -1.074) 4.672 6.220 ( -2.202 0.000 1.791) 2.839 6.273 ( 5.295 0.000 2.428) 5.826 6.320 ( 7.783 0.000 -0.096) 7.784 6.509 ( 3.163 0.000 -10.598) 11.060 6.513 ( 2.844 0.000 -12.114) 12.444 6.603 ( 3.621 0.000 3.135) 4.790 6.721 ( -4.493 0.000 -2.208) 5.007 6.803 ( 0.615 0.000 4.508) 4.550 6.907 ( -2.455 0.000 1.467) 2.860 6.966 ( 0.939 0.000 5.363) 5.445 7.089 ( 1.451 0.000 -2.227) 2.658 7.206 ( 8.957 0.000 1.470) 9.077 7.269 ( 1.595 0.000 1.570) 2.238 7.287 ( 23.554 0.000 -2.625) 23.700 7.394 ( -0.488 0.000 -4.197) 4.226 7.677 ( -1.575 0.000 -2.464) 2.925 7.686 ( -0.172 0.000 1.207) 1.220 7.782 ( -2.343 0.000 -1.539) 2.804 7.800 ( -0.277 0.000 -0.024) 0.278 7.955 ( 21.067 0.000 -9.557) 23.133 7.974 ( 0.055 0.000 -2.636) 2.637 8.113 ( -2.473 0.000 -1.249) 2.770 8.114 ( 2.698 0.000 7.165) 7.657 8.219 ( 14.858 0.000 -13.480) 20.062 8.329 ( -1.627 0.000 -4.573) 4.854 8.472 ( 2.727 0.000 -0.924) 2.879 8.599 ( 0.920 0.000 -3.228) 3.357 8.618 ( 6.223 0.000 2.742) 6.800 8.691 ( -2.712 0.000 1.142) 2.943 8.907 ( -0.210 0.000 0.010) 0.210 8.953 ( 5.528 0.000 -0.329) 5.538 9.133 ( -2.253 0.000 -1.781) 2.872 9.214 ( 0.983 0.000 -2.597) 2.777 9.358 ( -9.763 0.000 -9.399) 13.552 9.630 ( 7.355 0.000 6.662) 9.924 10.058 ( -7.686 0.000 6.370) 9.982 10.184 ( -5.823 0.000 -7.605) 9.578 10.239 ( 0.435 0.000 7.111) 7.124 10.260 ( -15.853 0.000 -3.445) 16.223 10.376 ( -7.976 0.000 3.355) 8.653 10.560 ( -13.529 0.000 -2.872) 13.831 10.668 ( -0.379 0.000 -0.013) 0.379 10.712 ( 1.207 0.000 -11.681) 11.743 10.955 ( -0.018 0.000 2.286) 2.287 11.117 ( -1.853 0.000 0.673) 1.971 11.133 ( 0.528 0.000 -3.202) 3.245 11.178 ( 6.314 0.000 2.083) 6.648 11.359 ( 6.827 0.000 0.350) 6.836 11.360 ( 0.251 0.000 -2.199) 2.213 11.752 ( 6.737 0.000 -0.617) 6.765 11.787 ( 7.477 0.000 0.135) 7.478 11.985 ( 3.963 0.000 6.477) 7.593 12.136 ( 1.201 0.000 -3.475) 3.677 12.153 ( 2.188 0.000 -6.366) 6.732 12.363 ( 2.605 0.000 1.525) 3.018 12.420 ( 5.713 0.000 0.099) 5.714 12.496 ( -1.517 0.000 -3.322) 3.652 12.616 ( -3.585 0.000 2.862) 4.588 12.642 ( -3.598 0.000 -1.858) 4.050 12.683 ( 0.440 0.000 0.221) 0.493 12.760 ( -2.516 0.000 1.525) 2.942 12.787 ( -0.195 0.000 0.242) 0.311 12.839 ( 1.608 0.000 2.270) 2.782 13.016 ( -0.772 0.000 0.877) 1.169 13.035 ( 2.781 0.000 -0.615) 2.849 13.188 ( 0.649 0.000 -0.539) 0.844 13.295 ( -2.111 0.000 -1.849) 2.806 14.384 ( 2.898 0.000 0.622) 2.964 14.406 ( 1.704 0.000 -0.757) 1.864 14.519 ( 3.016 0.000 -1.084) 3.204 14.692 ( 7.189 0.000 1.267) 7.300 14.701 ( 0.634 0.000 -0.406) 0.753 14.840 ( 20.478 0.000 -28.058) 34.736 15.135 ( -0.067 0.000 0.483) 0.487 15.136 ( -1.894 0.000 -0.338) 1.924 15.249 ( -0.178 0.000 -4.174) 4.178 15.295 ( 10.418 0.000 0.082) 10.419 16.607 ( -62.415 0.000 76.051) 98.384 17.449 ( -51.007 0.000 -4.632) 51.217 17.926 ( -1.836 0.000 2.998) 3.516 18.088 ( -2.181 0.000 -4.467) 4.971 18.349 ( -1.646 0.000 -2.265) 2.800 18.374 ( 1.575 0.000 2.380) 2.854 18.456 ( -1.361 0.000 1.693) 2.172 18.486 ( 0.938 0.000 4.002) 4.110 18.489 ( 1.171 0.000 -1.626) 2.004 18.536 ( 3.699 0.000 -0.510) 3.734 18.897 ( -0.529 0.000 -1.574) 1.660 18.918 ( 1.032 0.000 -0.237) 1.059 18.943 ( -2.111 0.000 2.467) 3.247 19.004 ( 0.157 0.000 -2.778) 2.782 20.196 ( 32.836 0.000 5.660) 33.320 21.021 ( 24.409 0.000 -38.673) 45.732 21.260 ( 12.178 0.000 -6.551) 13.828 21.465 ( -3.536 0.000 -5.446) 6.493 23.154 ( 1.169 0.000 1.854) 2.192 23.182 ( -2.011 0.000 -2.443) 3.164 23.369 ( 0.890 0.000 0.748) 1.163 23.404 ( 1.283 0.000 -0.614) 1.423 23.425 ( 0.350 0.000 1.432) 1.474 23.540 ( 0.866 0.000 -0.463) 0.982 23.654 ( -9.491 0.000 13.461) 16.471 23.922 ( -2.333 0.000 0.313) 2.354 ======================= Grid point 2 (3/50) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.003 ( 17.205 0.000 16.311) 23.708 1.047 ( 18.100 0.000 15.157) 23.608 1.390 ( 5.676 0.000 -14.747) 15.801 1.577 ( 8.218 0.000 -16.359) 18.307 1.655 ( -0.387 0.000 -5.923) 5.936 1.753 ( -10.011 0.000 -5.045) 11.210 1.860 ( 29.762 0.000 12.462) 32.265 1.926 ( -16.116 0.000 8.892) 18.407 1.959 ( -11.055 0.000 -1.320) 11.134 2.147 ( 0.941 0.000 5.568) 5.647 2.219 ( -1.567 0.000 4.774) 5.025 2.333 ( -1.500 0.000 1.934) 2.448 2.358 ( -1.411 0.000 -1.571) 2.111 2.422 ( 8.321 0.000 -4.186) 9.314 2.495 ( 7.342 0.000 -1.441) 7.482 2.582 ( -9.751 0.000 0.746) 9.780 2.619 ( 2.941 0.000 1.212) 3.181 2.639 ( 3.061 0.000 0.291) 3.075 2.687 ( -2.715 0.000 3.913) 4.763 2.749 ( 2.261 0.000 -4.947) 5.439 2.820 ( 4.076 0.000 -0.911) 4.176 2.821 ( 0.638 0.000 -0.627) 0.894 2.898 ( -1.021 0.000 0.101) 1.026 2.979 ( -5.381 0.000 6.724) 8.612 3.034 ( -1.098 0.000 1.615) 1.953 3.045 ( 3.672 0.000 -3.000) 4.742 3.119 ( 5.933 0.000 -6.502) 8.802 3.214 ( -5.781 0.000 -4.584) 7.378 3.247 ( 3.578 0.000 -3.390) 4.929 3.279 ( 0.408 0.000 -9.186) 9.195 3.353 ( -2.503 0.000 1.163) 2.760 3.407 ( 4.323 0.000 -8.247) 9.311 3.451 ( 0.630 0.000 3.839) 3.890 3.606 ( 2.726 0.000 11.789) 12.100 3.638 ( 2.030 0.000 -4.443) 4.885 3.651 ( -17.862 0.000 15.541) 23.676 3.693 ( 6.641 0.000 -10.062) 12.056 3.698 ( -2.957 0.000 6.849) 7.460 3.901 ( -0.885 0.000 -2.616) 2.762 3.956 ( 5.514 0.000 10.024) 11.440 4.002 ( -7.005 0.000 -4.774) 8.477 4.017 ( 1.691 0.000 1.948) 2.579 4.047 ( -7.660 0.000 -1.615) 7.829 4.090 ( -6.845 0.000 -5.668) 8.887 4.154 ( -1.990 0.000 2.950) 3.559 4.155 ( -9.444 0.000 0.599) 9.463 4.192 ( 2.361 0.000 -11.391) 11.633 4.318 ( -4.941 0.000 1.358) 5.124 4.364 ( -0.442 0.000 -3.040) 3.072 4.409 ( -0.917 0.000 3.290) 3.415 4.518 ( 5.192 0.000 3.552) 6.291 4.541 ( -7.924 0.000 -4.539) 9.132 4.618 ( -4.028 0.000 6.188) 7.383 4.636 ( -0.006 0.000 3.858) 3.858 4.667 ( -5.982 0.000 2.974) 6.680 4.732 ( 1.971 0.000 -2.778) 3.406 4.771 ( 3.394 0.000 4.882) 5.946 4.814 ( -0.205 0.000 -4.740) 4.745 4.873 ( -0.344 0.000 -3.077) 3.096 4.880 ( -4.313 0.000 -4.835) 6.480 5.059 ( 2.459 0.000 8.334) 8.689 5.089 ( -2.533 0.000 -2.094) 3.286 5.132 ( 0.006 0.000 -6.577) 6.577 5.141 ( 3.841 0.000 -3.172) 4.982 5.264 ( -1.082 0.000 1.862) 2.154 5.285 ( 1.357 0.000 8.334) 8.444 5.301 ( 2.483 0.000 3.267) 4.103 5.348 ( -3.445 0.000 -5.368) 6.378 5.405 ( 3.890 0.000 -1.383) 4.129 5.576 ( 1.721 0.000 -5.608) 5.866 5.635 ( -0.578 0.000 6.292) 6.319 5.700 ( -2.146 0.000 -2.340) 3.175 5.762 ( -0.704 0.000 3.074) 3.153 5.810 ( 2.336 0.000 7.601) 7.952 5.923 ( 8.966 0.000 0.063) 8.967 6.037 ( 1.427 0.000 2.484) 2.864 6.113 ( -3.236 0.000 -0.297) 3.249 6.137 ( -1.374 0.000 -2.925) 3.232 6.339 ( 2.435 0.000 -1.609) 2.919 6.346 ( -4.411 0.000 -11.276) 12.108 6.469 ( 5.815 0.000 -6.409) 8.654 6.534 ( 4.816 0.000 4.843) 6.830 6.642 ( -3.100 0.000 -0.485) 3.138 6.731 ( 6.073 0.000 1.899) 6.363 6.854 ( 0.076 0.000 3.557) 3.558 6.858 ( -3.046 0.000 -0.142) 3.049 7.042 ( 0.976 0.000 4.270) 4.380 7.099 ( 1.910 0.000 -1.299) 2.310 7.281 ( -2.473 0.000 2.061) 3.219 7.321 ( 6.263 0.000 2.042) 6.588 7.389 ( 3.299 0.000 -2.298) 4.021 7.640 ( -0.603 0.000 -0.934) 1.111 7.641 ( 5.353 0.000 2.958) 6.116 7.704 ( -3.272 0.000 -1.941) 3.805 7.724 ( 3.441 0.000 -1.631) 3.808 7.807 ( 0.447 0.000 1.102) 1.189 7.914 ( -1.618 0.000 -6.713) 6.905 8.177 ( 1.816 0.000 2.814) 3.349 8.188 ( 7.382 0.000 5.192) 9.024 8.251 ( 2.602 0.000 7.843) 8.264 8.303 ( 7.904 0.000 -6.921) 10.506 8.336 ( 20.596 0.000 -1.063) 20.624 8.558 ( -2.345 0.000 -0.325) 2.368 8.601 ( 15.071 0.000 -3.270) 15.422 8.703 ( 3.062 0.000 -1.605) 3.458 8.727 ( 4.281 0.000 -0.534) 4.314 8.916 ( 0.934 0.000 0.922) 1.312 9.005 ( 0.517 0.000 -1.216) 1.321 9.076 ( -6.033 0.000 -9.376) 11.150 9.130 ( 2.559 0.000 2.336) 3.465 9.251 ( 4.347 0.000 0.038) 4.347 9.816 ( -21.203 0.000 -1.455) 21.253 9.860 ( 9.448 0.000 2.505) 9.775 9.979 ( -10.042 0.000 1.371) 10.135 10.049 ( -8.824 0.000 -4.124) 9.740 10.138 ( -18.409 0.000 3.273) 18.698 10.282 ( -14.191 0.000 -1.322) 14.252 10.337 ( -0.565 0.000 9.528) 9.545 10.574 ( -3.101 0.000 -9.878) 10.353 10.692 ( 3.757 0.000 -4.509) 5.869 10.956 ( -0.607 0.000 0.270) 0.664 11.114 ( 0.019 0.000 1.290) 1.290 11.117 ( 0.268 0.000 -1.292) 1.320 11.329 ( -0.407 0.000 -1.888) 1.931 11.385 ( 9.776 0.000 8.718) 13.099 11.481 ( 6.304 0.000 0.566) 6.329 11.798 ( 0.557 0.000 -5.135) 5.165 11.878 ( 1.197 0.000 1.669) 2.054 12.099 ( 3.836 0.000 0.930) 3.947 12.131 ( 4.255 0.000 -4.109) 5.916 12.187 ( 6.823 0.000 -2.015) 7.114 12.318 ( -6.143 0.000 -2.330) 6.570 12.489 ( 1.279 0.000 2.016) 2.388 12.543 ( 5.156 0.000 4.169) 6.630 12.576 ( -2.768 0.000 -0.971) 2.933 12.604 ( -1.007 0.000 2.406) 2.608 12.692 ( 0.633 0.000 -0.061) 0.636 12.741 ( -0.487 0.000 0.466) 0.674 12.788 ( -0.011 0.000 -0.651) 0.651 12.884 ( -0.161 0.000 3.420) 3.424 13.000 ( 0.165 0.000 -2.768) 2.773 13.039 ( -0.392 0.000 -2.948) 2.974 13.194 ( 0.066 0.000 0.501) 0.505 13.235 ( -2.023 0.000 -1.539) 2.542 14.429 ( 1.780 0.000 -0.662) 1.899 14.431 ( 1.920 0.000 0.212) 1.932 14.579 ( 4.387 0.000 0.352) 4.401 14.723 ( 1.405 0.000 1.280) 1.900 14.841 ( 6.844 0.000 -12.525) 14.273 14.881 ( 12.308 0.000 -0.845) 12.337 15.106 ( -2.829 0.000 -1.695) 3.297 15.106 ( -1.688 0.000 0.106) 1.691 15.275 ( 8.468 0.000 3.409) 9.128 15.551 ( 19.129 0.000 1.536) 19.191 16.337 ( -38.538 0.000 26.240) 46.623 16.499 ( -48.899 0.000 -10.929) 50.106 17.920 ( -1.963 0.000 1.500) 2.471 18.018 ( -1.626 0.000 -2.120) 2.672 18.313 ( 0.184 0.000 -1.272) 1.286 18.390 ( -0.867 0.000 0.659) 1.089 18.452 ( -1.733 0.000 2.549) 3.083 18.486 ( 1.054 0.000 -2.865) 3.053 18.543 ( 1.190 0.000 1.733) 2.102 18.580 ( 1.671 0.000 1.132) 2.018 18.872 ( 0.084 0.000 -1.471) 1.473 18.930 ( -0.033 0.000 0.313) 0.315 18.971 ( -0.857 0.000 -1.738) 1.937 18.976 ( 1.948 0.000 2.287) 3.004 20.774 ( 22.519 0.000 11.053) 25.086 21.002 ( 6.427 0.000 -10.520) 12.328 21.329 ( -3.524 0.000 -8.106) 8.839 21.381 ( 7.234 0.000 -2.050) 7.519 23.129 ( -3.443 0.000 -1.025) 3.593 23.157 ( 1.238 0.000 -0.652) 1.400 23.352 ( -3.097 0.000 0.332) 3.115 23.390 ( -1.654 0.000 0.425) 1.707 23.538 ( 7.615 0.000 2.690) 8.076 23.566 ( 4.178 0.000 -3.198) 5.262 23.636 ( -5.578 0.000 5.869) 8.097 23.869 ( -3.821 0.000 -0.502) 3.854 ======================= Grid point 3 (4/50) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 25 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.378 ( 0.000 0.000 0.000) 0.000 1.388 ( -0.000 0.000 0.000) 0.000 1.423 ( -0.000 0.000 -0.000) 0.000 1.425 ( 0.000 0.000 0.000) 0.000 1.587 ( -0.000 0.000 -0.000) 0.000 1.647 ( 0.000 0.000 0.000) 0.000 1.710 ( 0.000 0.000 0.000) 0.000 1.786 ( 0.000 0.000 0.000) 0.000 2.209 ( 0.000 0.000 0.000) 0.000 2.220 ( 0.000 0.000 -0.000) 0.000 2.244 ( 0.000 0.000 0.000) 0.000 2.331 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.431 ( 0.000 0.000 -0.000) 0.000 2.461 ( -0.000 0.000 0.000) 0.000 2.550 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 -0.000) 0.000 2.745 ( 0.000 0.000 -0.000) 0.000 2.754 ( 0.000 0.000 0.000) 0.000 2.820 ( 0.000 0.000 0.000) 0.000 2.839 ( 0.000 0.000 0.000) 0.000 2.860 ( 0.000 0.000 0.000) 0.000 2.914 ( 0.000 0.000 0.000) 0.000 2.943 ( -0.000 0.000 0.000) 0.000 2.969 ( -0.000 0.000 -0.000) 0.000 3.032 ( 0.000 0.000 -0.000) 0.000 3.132 ( 0.000 0.000 0.000) 0.000 3.152 ( 0.000 0.000 0.000) 0.000 3.186 ( -0.000 0.000 0.000) 0.000 3.289 ( -0.000 0.000 0.000) 0.000 3.328 ( 0.000 0.000 -0.000) 0.000 3.329 ( 0.000 0.000 -0.000) 0.000 3.482 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 0.000) 0.000 3.620 ( 0.000 0.000 0.000) 0.000 3.703 ( 0.000 0.000 0.000) 0.000 3.707 ( 0.000 0.000 -0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 -0.000) 0.000 3.855 ( -0.000 0.000 -0.000) 0.000 3.960 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 -0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.046 ( 0.000 0.000 0.000) 0.000 4.162 ( 0.000 0.000 -0.000) 0.000 4.189 ( 0.000 0.000 -0.000) 0.000 4.208 ( 0.000 0.000 0.000) 0.000 4.229 ( 0.000 0.000 0.000) 0.000 4.349 ( -0.000 0.000 -0.000) 0.000 4.361 ( 0.000 0.000 -0.000) 0.000 4.377 ( -0.000 0.000 0.000) 0.000 4.578 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 -0.000) 0.000 4.689 ( 0.000 0.000 0.000) 0.000 4.708 ( 0.000 0.000 0.000) 0.000 4.711 ( 0.000 0.000 -0.000) 0.000 4.797 ( 0.000 0.000 0.000) 0.000 4.804 ( 0.000 0.000 -0.000) 0.000 4.808 ( 0.000 0.000 0.000) 0.000 4.863 ( 0.000 0.000 0.000) 0.000 5.029 ( 0.000 0.000 0.000) 0.000 5.088 ( -0.000 0.000 0.000) 0.000 5.176 ( 0.000 0.000 0.000) 0.000 5.192 ( 0.000 0.000 -0.000) 0.000 5.229 ( 0.000 0.000 0.000) 0.000 5.256 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.373 ( -0.000 0.000 0.000) 0.000 5.474 ( -0.000 0.000 -0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 5.769 ( 0.000 0.000 0.000) 0.000 5.907 ( 0.000 0.000 0.000) 0.000 6.017 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.094 ( 0.000 0.000 -0.000) 0.000 6.208 ( 0.000 0.000 0.000) 0.000 6.354 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.597 ( 0.000 0.000 0.000) 0.000 6.612 ( 0.000 0.000 0.000) 0.000 6.791 ( -0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 0.000) 0.000 6.879 ( 0.000 0.000 0.000) 0.000 7.080 ( 0.000 0.000 0.000) 0.000 7.111 ( 0.000 0.000 0.000) 0.000 7.267 ( 0.000 0.000 0.000) 0.000 7.402 ( 0.000 0.000 -0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.632 ( 0.000 0.000 0.000) 0.000 7.662 ( 0.000 0.000 0.000) 0.000 7.676 ( 0.000 0.000 0.000) 0.000 7.738 ( 0.000 0.000 0.000) 0.000 7.816 ( 0.000 0.000 0.000) 0.000 7.842 ( -0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 -0.000) 0.000 8.293 ( 0.000 0.000 -0.000) 0.000 8.303 ( -0.000 0.000 0.000) 0.000 8.335 ( 0.000 0.000 0.000) 0.000 8.532 ( 0.000 0.000 0.000) 0.000 8.679 ( -0.000 0.000 -0.000) 0.000 8.691 ( 0.000 0.000 0.000) 0.000 8.747 ( 0.000 0.000 -0.000) 0.000 8.754 ( -0.000 0.000 0.000) 0.000 8.940 ( 0.000 0.000 0.000) 0.000 8.955 ( 0.000 0.000 0.000) 0.000 9.020 ( 0.000 0.000 0.000) 0.000 9.205 ( 0.000 0.000 0.000) 0.000 9.363 ( 0.000 0.000 0.000) 0.000 9.537 ( 0.000 0.000 0.000) 0.000 9.762 ( 0.000 0.000 0.000) 0.000 9.916 ( 0.000 0.000 0.000) 0.000 10.034 ( 0.000 0.000 0.000) 0.000 10.072 ( -0.000 0.000 0.000) 0.000 10.088 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 -0.000) 0.000 10.466 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 0.000) 0.000 11.122 ( 0.000 0.000 0.000) 0.000 11.313 ( 0.000 0.000 0.000) 0.000 11.543 ( 0.000 0.000 0.000) 0.000 11.642 ( -0.000 0.000 -0.000) 0.000 11.651 ( 0.000 0.000 0.000) 0.000 11.889 ( 0.000 0.000 0.000) 0.000 12.131 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.216 ( -0.000 0.000 0.000) 0.000 12.253 ( 0.000 0.000 0.000) 0.000 12.517 ( 0.000 0.000 0.000) 0.000 12.534 ( -0.000 0.000 -0.000) 0.000 12.590 ( 0.000 0.000 0.000) 0.000 12.656 ( 0.000 0.000 0.000) 0.000 12.727 ( 0.000 0.000 -0.000) 0.000 12.745 ( 0.000 0.000 -0.000) 0.000 12.753 ( 0.000 0.000 0.000) 0.000 12.905 ( -0.000 0.000 0.000) 0.000 12.979 ( 0.000 0.000 0.000) 0.000 12.998 ( 0.000 0.000 0.000) 0.000 13.198 ( 0.000 0.000 0.000) 0.000 13.210 ( 0.000 0.000 0.000) 0.000 14.441 ( 0.000 0.000 0.000) 0.000 14.448 ( 0.000 0.000 0.000) 0.000 14.631 ( 0.000 0.000 0.000) 0.000 14.757 ( 0.000 0.000 -0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 14.967 ( 0.000 0.000 0.000) 0.000 15.064 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.680 ( 0.000 0.000 0.000) 0.000 15.710 ( -0.000 0.000 -0.000) 0.000 15.880 ( -0.000 0.000 0.000) 0.000 16.002 ( 0.000 0.000 0.000) 0.000 17.908 ( 0.000 0.000 0.000) 0.000 17.993 ( 0.000 0.000 0.000) 0.000 18.314 ( 0.000 0.000 0.000) 0.000 18.382 ( 0.000 0.000 0.000) 0.000 18.457 ( -0.000 0.000 0.000) 0.000 18.468 ( 0.000 0.000 -0.000) 0.000 18.560 ( 0.000 0.000 0.000) 0.000 18.606 ( 0.000 0.000 0.000) 0.000 18.868 ( 0.000 0.000 0.000) 0.000 18.931 ( 0.000 0.000 0.000) 0.000 18.950 ( 0.000 0.000 0.000) 0.000 19.011 ( 0.000 0.000 0.000) 0.000 20.997 ( 0.000 0.000 0.000) 0.000 21.133 ( -0.000 0.000 -0.000) 0.000 21.153 ( 0.000 0.000 0.000) 0.000 21.431 ( 0.000 0.000 0.000) 0.000 23.084 ( 0.000 0.000 0.000) 0.000 23.179 ( 0.000 0.000 -0.000) 0.000 23.314 ( 0.000 0.000 0.000) 0.000 23.376 ( 0.000 0.000 0.000) 0.000 23.590 ( -0.000 0.000 0.000) 0.000 23.614 ( 0.000 0.000 -0.000) 0.000 23.642 ( 0.000 0.000 0.000) 0.000 23.815 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 7 (5/50) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.537 ( 0.000 27.156 0.000) 27.156 0.603 ( 0.000 30.642 0.000) 30.642 1.117 ( 0.000 55.569 0.000) 55.569 1.685 ( 0.000 -1.647 0.000) 1.647 1.791 ( 0.000 3.285 0.000) 3.285 1.818 ( 0.000 4.065 0.000) 4.065 1.848 ( 0.000 9.797 0.000) 9.797 1.926 ( 0.000 -0.005 0.000) 0.005 2.058 ( 0.000 -0.921 0.000) 0.921 2.110 ( 0.000 -7.180 0.000) 7.180 2.252 ( 0.000 -2.067 0.000) 2.067 2.325 ( 0.000 -1.041 0.000) 1.041 2.432 ( 0.000 -3.417 0.000) 3.417 2.479 ( 0.000 3.424 0.000) 3.424 2.533 ( 0.000 -2.478 0.000) 2.478 2.597 ( 0.000 0.592 0.000) 0.592 2.601 ( 0.000 -0.753 0.000) 0.753 2.678 ( 0.000 -3.206 0.000) 3.206 2.691 ( 0.000 -2.602 0.000) 2.602 2.774 ( 0.000 -6.556 0.000) 6.556 2.787 ( 0.000 -3.816 0.000) 3.816 2.852 ( 0.000 -1.551 0.000) 1.551 2.926 ( 0.000 6.160 0.000) 6.160 2.976 ( 0.000 -2.890 0.000) 2.890 3.038 ( 0.000 -1.338 0.000) 1.338 3.065 ( 0.000 1.449 0.000) 1.449 3.098 ( 0.000 4.552 0.000) 4.552 3.135 ( 0.000 2.593 0.000) 2.593 3.197 ( 0.000 -10.093 0.000) 10.093 3.221 ( 0.000 1.012 0.000) 1.012 3.278 ( 0.000 -1.935 0.000) 1.935 3.340 ( 0.000 1.582 0.000) 1.582 3.382 ( 0.000 -2.072 0.000) 2.072 3.411 ( 0.000 1.585 0.000) 1.585 3.489 ( 0.000 -3.993 0.000) 3.993 3.579 ( 0.000 -11.900 0.000) 11.900 3.701 ( 0.000 -2.008 0.000) 2.008 3.746 ( 0.000 0.141 0.000) 0.141 3.842 ( 0.000 -5.850 0.000) 5.850 3.981 ( 0.000 -5.718 0.000) 5.718 4.036 ( 0.000 -2.890 0.000) 2.890 4.044 ( 0.000 -6.208 0.000) 6.208 4.084 ( 0.000 -8.625 0.000) 8.625 4.178 ( 0.000 -7.093 0.000) 7.093 4.184 ( 0.000 -6.997 0.000) 6.997 4.259 ( 0.000 -1.073 0.000) 1.073 4.286 ( 0.000 -11.402 0.000) 11.402 4.348 ( 0.000 -13.414 0.000) 13.414 4.431 ( 0.000 3.970 0.000) 3.970 4.492 ( 0.000 0.666 0.000) 0.666 4.561 ( 0.000 1.800 0.000) 1.800 4.578 ( 0.000 -0.701 0.000) 0.701 4.620 ( 0.000 7.793 0.000) 7.793 4.658 ( 0.000 2.239 0.000) 2.239 4.669 ( 0.000 6.708 0.000) 6.708 4.788 ( 0.000 -5.874 0.000) 5.874 4.828 ( 0.000 -3.085 0.000) 3.085 4.878 ( 0.000 -1.141 0.000) 1.141 4.936 ( 0.000 5.464 0.000) 5.464 5.022 ( 0.000 -0.624 0.000) 0.624 5.035 ( 0.000 2.644 0.000) 2.644 5.062 ( 0.000 1.285 0.000) 1.285 5.135 ( 0.000 2.581 0.000) 2.581 5.137 ( 0.000 1.668 0.000) 1.668 5.211 ( 0.000 3.291 0.000) 3.291 5.275 ( 0.000 2.697 0.000) 2.697 5.323 ( 0.000 -4.181 0.000) 4.181 5.400 ( 0.000 5.595 0.000) 5.595 5.493 ( 0.000 6.891 0.000) 6.891 5.562 ( 0.000 -5.841 0.000) 5.841 5.599 ( 0.000 1.018 0.000) 1.018 5.686 ( 0.000 1.746 0.000) 1.746 5.729 ( 0.000 4.712 0.000) 4.712 5.821 ( 0.000 -3.834 0.000) 3.834 5.927 ( 0.000 -8.038 0.000) 8.038 5.973 ( 0.000 12.443 0.000) 12.443 6.131 ( 0.000 3.907 0.000) 3.907 6.169 ( 0.000 3.057 0.000) 3.057 6.208 ( 0.000 3.938 0.000) 3.938 6.329 ( 0.000 -6.422 0.000) 6.422 6.438 ( 0.000 -1.522 0.000) 1.522 6.452 ( 0.000 2.810 0.000) 2.810 6.714 ( 0.000 -1.736 0.000) 1.736 6.715 ( 0.000 -1.428 0.000) 1.428 6.860 ( 0.000 6.678 0.000) 6.678 6.886 ( 0.000 -1.994 0.000) 1.994 6.956 ( 0.000 0.134 0.000) 0.134 7.039 ( 0.000 5.966 0.000) 5.966 7.048 ( 0.000 3.934 0.000) 3.934 7.198 ( 0.000 1.005 0.000) 1.005 7.260 ( 0.000 1.531 0.000) 1.531 7.389 ( 0.000 -1.560 0.000) 1.560 7.705 ( 0.000 6.860 0.000) 6.860 7.779 ( 0.000 -1.509 0.000) 1.509 7.826 ( 0.000 6.226 0.000) 6.226 7.859 ( 0.000 7.032 0.000) 7.032 7.897 ( 0.000 -3.966 0.000) 3.966 8.016 ( 0.000 1.618 0.000) 1.618 8.096 ( 0.000 3.196 0.000) 3.196 8.146 ( 0.000 6.772 0.000) 6.772 8.317 ( 0.000 15.338 0.000) 15.338 8.358 ( 0.000 -1.432 0.000) 1.432 8.394 ( 0.000 1.388 0.000) 1.388 8.592 ( 0.000 8.113 0.000) 8.113 8.699 ( 0.000 8.147 0.000) 8.147 8.712 ( 0.000 -1.815 0.000) 1.815 8.929 ( 0.000 -0.324 0.000) 0.324 8.997 ( 0.000 7.220 0.000) 7.220 9.036 ( 0.000 11.026 0.000) 11.026 9.256 ( 0.000 8.664 0.000) 8.664 9.453 ( 0.000 -3.436 0.000) 3.436 9.591 ( 0.000 4.307 0.000) 4.307 10.022 ( 0.000 -0.998 0.000) 0.998 10.173 ( 0.000 0.040 0.000) 0.040 10.194 ( 0.000 -6.186 0.000) 6.186 10.334 ( 0.000 -1.160 0.000) 1.160 10.502 ( 0.000 1.170 0.000) 1.170 10.659 ( 0.000 -6.011 0.000) 6.011 10.760 ( 0.000 -8.628 0.000) 8.628 10.798 ( 0.000 -5.089 0.000) 5.089 10.889 ( 0.000 0.256 0.000) 0.256 11.015 ( 0.000 -7.888 0.000) 7.888 11.154 ( 0.000 6.856 0.000) 6.856 11.204 ( 0.000 -0.928 0.000) 0.928 11.250 ( 0.000 -6.622 0.000) 6.622 11.357 ( 0.000 -9.300 0.000) 9.300 11.520 ( 0.000 -11.094 0.000) 11.094 11.717 ( 0.000 -7.893 0.000) 7.893 11.992 ( 0.000 -4.439 0.000) 4.439 12.140 ( 0.000 -12.593 0.000) 12.593 12.234 ( 0.000 -6.392 0.000) 6.392 12.350 ( 0.000 3.792 0.000) 3.792 12.453 ( 0.000 -0.092 0.000) 0.092 12.649 ( 0.000 1.583 0.000) 1.583 12.698 ( 0.000 6.952 0.000) 6.952 12.764 ( 0.000 5.019 0.000) 5.019 12.768 ( 0.000 6.884 0.000) 6.884 12.880 ( 0.000 7.254 0.000) 7.254 12.942 ( 0.000 11.051 0.000) 11.051 13.003 ( 0.000 3.231 0.000) 3.231 13.013 ( 0.000 6.732 0.000) 6.732 13.068 ( 0.000 6.094 0.000) 6.094 13.168 ( 0.000 1.797 0.000) 1.797 13.327 ( 0.000 0.113 0.000) 0.113 14.390 ( 0.000 -0.560 0.000) 0.560 14.431 ( 0.000 -1.655 0.000) 1.655 14.451 ( 0.000 0.209 0.000) 0.209 14.488 ( 0.000 -1.410 0.000) 1.410 14.671 ( 0.000 1.097 0.000) 1.097 14.742 ( 0.000 3.875 0.000) 3.875 15.123 ( 0.000 -3.127 0.000) 3.127 15.174 ( 0.000 0.690 0.000) 0.690 15.204 ( 0.000 -7.036 0.000) 7.036 15.531 ( 0.000 -3.645 0.000) 3.645 15.862 ( 0.000 -5.847 0.000) 5.847 17.390 ( 0.000 -45.801 0.000) 45.801 18.156 ( 0.000 2.893 0.000) 2.893 18.162 ( 0.000 1.286 0.000) 1.286 18.285 ( 0.000 4.804 0.000) 4.804 18.391 ( 0.000 1.203 0.000) 1.203 18.398 ( 0.000 -3.378 0.000) 3.378 18.427 ( 0.000 1.592 0.000) 1.592 18.502 ( 0.000 1.555 0.000) 1.555 18.515 ( 0.000 0.644 0.000) 0.644 18.855 ( 0.000 -2.823 0.000) 2.823 18.887 ( 0.000 -2.478 0.000) 2.478 18.939 ( 0.000 1.435 0.000) 1.435 19.073 ( 0.000 0.945 0.000) 0.945 20.262 ( 0.000 32.087 0.000) 32.087 21.150 ( 0.000 -2.672 0.000) 2.672 21.425 ( 0.000 0.184 0.000) 0.184 21.534 ( 0.000 0.124 0.000) 0.124 23.151 ( 0.000 0.561 0.000) 0.561 23.229 ( 0.000 -0.701 0.000) 0.701 23.296 ( 0.000 -0.522 0.000) 0.522 23.384 ( 0.000 -1.471 0.000) 1.471 23.410 ( 0.000 -1.891 0.000) 1.891 23.492 ( 0.000 0.402 0.000) 0.402 23.518 ( 0.000 -2.397 0.000) 2.397 23.907 ( 0.000 -3.263 0.000) 3.263 ======================= Grid point 8 (6/50) ======================= q-point: ( 0.17 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( 11.993 21.888 6.467) 25.783 0.834 ( 16.037 19.638 11.525) 27.851 1.416 ( 21.139 34.280 16.181) 43.403 1.644 ( 0.713 3.283 -17.162) 17.487 1.683 ( 4.346 4.739 -14.858) 16.190 1.806 ( -4.788 5.365 1.331) 7.313 1.858 ( 2.292 4.750 2.865) 6.003 1.964 ( -0.078 -1.408 6.541) 6.691 2.064 ( -2.931 0.415 2.146) 3.657 2.078 ( -5.033 -3.019 6.624) 8.850 2.242 ( -4.957 0.608 -2.286) 5.493 2.284 ( 1.500 -4.309 0.347) 4.576 2.361 ( -7.003 -1.330 -1.415) 7.267 2.490 ( 0.406 -0.394 -0.665) 0.873 2.502 ( 2.001 2.347 -1.577) 3.464 2.585 ( 0.974 -2.927 0.525) 3.129 2.602 ( -2.527 -0.081 -1.201) 2.799 2.641 ( -0.813 2.794 1.116) 3.117 2.704 ( -3.090 -3.715 2.089) 5.264 2.738 ( 3.807 0.956 0.255) 3.933 2.768 ( -2.291 -6.314 0.611) 6.745 2.836 ( -5.761 -0.578 -1.503) 5.982 2.877 ( -5.060 -1.392 -3.914) 6.547 2.945 ( -4.345 0.025 -0.979) 4.454 3.007 ( 5.525 -2.478 -1.608) 6.265 3.065 ( 1.694 -0.128 4.194) 4.525 3.105 ( 4.642 1.087 -7.077) 8.533 3.204 ( 2.363 -7.742 -2.402) 8.443 3.254 ( 2.141 -3.708 -1.017) 4.401 3.286 ( 2.182 -0.143 -0.945) 2.382 3.322 ( 5.737 2.431 -4.889) 7.920 3.341 ( -3.892 -3.883 5.015) 7.442 3.359 ( 5.429 1.104 2.056) 5.909 3.459 ( 7.014 3.038 4.089) 8.668 3.564 ( 4.067 -3.946 2.305) 6.117 3.620 ( 3.321 -7.385 -1.701) 8.274 3.653 ( -1.077 -2.157 2.479) 3.458 3.751 ( -2.339 0.220 -2.910) 3.740 3.838 ( 2.680 -9.666 -4.459) 10.977 3.938 ( -2.361 -1.446 -0.944) 2.925 3.960 ( -1.463 -9.231 -2.185) 9.598 4.065 ( -8.718 -3.219 -1.327) 9.387 4.091 ( -4.511 -4.642 3.019) 7.142 4.102 ( -1.857 -5.490 -2.299) 6.235 4.174 ( -5.620 -2.098 -0.990) 6.080 4.221 ( -4.693 -8.622 1.137) 9.882 4.239 ( -3.092 -8.182 0.621) 8.769 4.323 ( -1.325 -6.617 2.730) 7.279 4.418 ( -4.535 -1.011 -0.432) 4.666 4.501 ( 3.526 4.542 1.530) 5.950 4.525 ( -3.635 6.368 0.098) 7.333 4.563 ( -5.616 3.251 0.888) 6.549 4.577 ( -7.503 -5.840 1.269) 9.592 4.642 ( 1.429 1.399 1.931) 2.780 4.682 ( 2.411 -2.363 -2.200) 4.029 4.731 ( -3.017 6.109 1.757) 7.036 4.856 ( 2.841 -1.527 -0.615) 3.284 4.882 ( -1.071 0.263 -3.314) 3.493 4.934 ( -2.269 4.952 2.658) 6.061 4.977 ( 1.168 1.214 2.100) 2.692 5.032 ( -1.821 -3.686 -2.639) 4.886 5.047 ( -2.780 0.036 -3.438) 4.422 5.132 ( 0.446 -2.033 -0.251) 2.096 5.171 ( 3.831 3.490 8.659) 10.092 5.250 ( -3.587 4.241 0.825) 5.616 5.278 ( -0.132 7.230 -1.857) 7.466 5.330 ( 0.951 -3.309 -0.130) 3.445 5.414 ( -1.428 -2.236 1.297) 2.953 5.456 ( 0.545 7.300 -3.866) 8.279 5.576 ( -0.659 3.343 0.403) 3.432 5.621 ( 5.364 0.828 -0.903) 5.502 5.625 ( -0.164 2.344 3.911) 4.563 5.731 ( 4.065 2.499 0.298) 4.781 5.812 ( -4.999 -1.135 0.016) 5.126 5.973 ( 0.954 8.754 -3.118) 9.341 6.000 ( 6.497 -4.465 1.492) 8.023 6.081 ( 0.199 6.836 -0.478) 6.856 6.164 ( -2.025 -1.684 -3.890) 4.698 6.308 ( 4.714 -0.987 0.608) 4.854 6.396 ( 6.946 -7.019 0.911) 9.916 6.443 ( 4.507 5.891 -0.750) 7.455 6.548 ( 4.488 0.779 -5.511) 7.150 6.614 ( -2.543 -0.236 -0.006) 2.554 6.718 ( -0.324 -0.284 0.381) 0.575 6.863 ( -0.776 1.612 0.498) 1.857 6.909 ( -1.465 1.638 1.468) 2.643 6.941 ( 0.666 1.965 1.008) 2.306 7.071 ( 0.656 -0.529 3.358) 3.463 7.091 ( 2.132 -3.612 0.209) 4.199 7.281 ( 14.397 6.706 -1.548) 15.957 7.344 ( 1.376 -3.217 -2.600) 4.359 7.441 ( 11.053 2.563 0.232) 11.349 7.716 ( -1.627 3.033 -3.199) 4.699 7.762 ( 2.863 2.956 0.955) 4.225 7.798 ( -3.462 1.145 0.281) 3.657 7.889 ( 0.401 7.471 -0.689) 7.514 7.966 ( 11.255 2.473 -3.038) 11.917 7.996 ( 0.032 1.607 -3.142) 3.529 8.149 ( 1.588 3.462 4.802) 6.129 8.214 ( 8.921 -0.071 -1.340) 9.021 8.220 ( -2.225 7.440 -3.776) 8.635 8.341 ( -1.648 1.786 -0.066) 2.431 8.430 ( -0.479 3.625 2.183) 4.259 8.668 ( 2.221 6.872 -0.882) 7.276 8.677 ( 5.959 6.359 -0.002) 8.715 8.753 ( 0.522 2.059 -2.141) 3.016 8.930 ( 5.442 -0.135 0.772) 5.498 9.018 ( -0.959 10.973 -0.967) 11.057 9.142 ( 5.647 1.475 4.130) 7.150 9.218 ( -1.097 8.348 -3.891) 9.275 9.372 ( -6.598 2.222 -3.744) 7.905 9.631 ( 3.704 0.089 2.655) 4.558 9.977 ( -6.667 -3.262 0.089) 7.423 10.135 ( -3.775 -3.927 2.790) 6.120 10.244 ( -11.876 -4.350 5.023) 13.609 10.254 ( 1.021 -1.168 0.220) 1.566 10.324 ( -15.899 0.863 -2.075) 16.057 10.619 ( -7.691 0.721 -2.115) 8.009 10.666 ( -1.245 -0.846 -0.612) 1.625 10.759 ( -3.863 -1.653 -3.917) 5.744 10.919 ( -0.907 -2.786 0.389) 2.956 11.002 ( 0.970 -6.495 -1.562) 6.750 11.124 ( -2.212 -2.898 -0.130) 3.648 11.200 ( 4.521 1.798 2.249) 5.360 11.316 ( 1.899 -3.809 -1.271) 4.443 11.405 ( 6.550 -5.436 -2.796) 8.959 11.615 ( 9.717 -10.205 -0.387) 14.096 11.774 ( 8.512 -7.353 -4.661) 12.176 11.894 ( -8.430 -5.265 1.060) 9.995 12.074 ( -0.620 -3.559 -1.114) 3.781 12.280 ( 0.965 -3.289 -0.010) 3.428 12.305 ( -3.882 -2.760 0.556) 4.796 12.423 ( 1.323 1.240 -4.438) 4.795 12.552 ( -1.063 11.277 -7.452) 13.558 12.654 ( -0.924 3.301 0.231) 3.436 12.714 ( -4.808 7.567 2.452) 9.294 12.756 ( -1.853 5.337 3.398) 6.593 12.869 ( 0.817 9.297 -1.118) 9.399 12.904 ( 2.413 10.631 -2.579) 11.202 12.961 ( 0.180 9.767 1.487) 9.881 13.046 ( -0.546 2.356 0.661) 2.507 13.093 ( 1.624 5.706 -1.278) 6.069 13.196 ( 1.545 1.454 0.237) 2.135 13.301 ( -1.815 0.433 -1.768) 2.571 14.387 ( 1.332 0.095 0.090) 1.338 14.399 ( 1.222 -0.762 -0.111) 1.444 14.502 ( 2.730 -1.826 -1.442) 3.587 14.648 ( 8.373 -5.136 -0.904) 9.864 14.722 ( 4.399 1.520 0.440) 4.675 14.785 ( 10.852 0.104 -7.939) 13.446 15.125 ( -1.168 -1.469 0.229) 1.890 15.181 ( -1.041 -4.394 -3.247) 5.562 15.210 ( 4.683 0.378 -1.620) 4.969 15.326 ( 3.853 3.890 -10.340) 11.700 16.102 ( -25.874 -30.826 45.581) 60.806 17.100 ( -34.700 -34.003 -1.103) 48.596 17.990 ( -4.522 6.407 -1.249) 7.941 18.128 ( -4.188 3.475 1.801) 5.732 18.297 ( -1.495 -1.070 0.209) 1.851 18.389 ( 0.483 1.097 -2.571) 2.836 18.416 ( 2.865 0.220 2.006) 3.504 18.486 ( -0.700 0.811 -0.210) 1.092 18.521 ( 1.635 -0.959 1.544) 2.445 18.565 ( 4.650 2.671 -0.415) 5.378 18.843 ( -1.033 -2.389 0.106) 2.605 18.880 ( -0.667 -3.075 -0.535) 3.192 18.981 ( 2.450 1.374 1.003) 2.983 19.060 ( -0.343 1.641 -1.808) 2.466 20.444 ( 17.485 20.949 4.193) 27.607 21.186 ( -2.541 3.284 1.362) 4.370 21.279 ( 11.931 4.335 -20.003) 23.691 21.483 ( -2.272 1.656 -6.730) 7.294 23.148 ( -1.154 -0.544 0.023) 1.276 23.179 ( -1.361 -0.333 -0.315) 1.436 23.356 ( -0.185 -1.515 0.987) 1.817 23.388 ( -0.076 -1.665 -0.405) 1.715 23.416 ( 3.379 -0.589 0.783) 3.519 23.514 ( 0.391 -2.607 1.669) 3.120 23.595 ( -0.221 -3.011 7.033) 7.654 23.890 ( -2.064 -3.178 0.052) 3.789 ======================= Grid point 9 (7/50) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 15.322 9.676 9.101) 20.279 1.219 ( 13.632 12.713 13.262) 22.877 1.453 ( 4.529 6.958 -11.876) 14.490 1.610 ( 10.608 0.976 -16.628) 19.748 1.679 ( -10.979 3.302 -1.762) 11.600 1.830 ( -3.501 7.437 -3.460) 8.919 1.897 ( -12.136 -2.565 7.002) 14.244 1.958 ( -8.322 -1.147 -0.410) 8.410 2.052 ( 17.656 15.909 6.462) 24.629 2.148 ( 1.901 1.253 4.256) 4.827 2.252 ( 2.324 5.037 6.169) 8.296 2.277 ( -0.484 -1.959 1.600) 2.575 2.350 ( 3.937 -4.154 0.638) 5.759 2.408 ( -3.271 -0.502 -3.768) 5.014 2.558 ( -5.993 -0.484 0.936) 6.085 2.575 ( 0.036 -0.976 -0.643) 1.169 2.597 ( 1.761 -2.761 1.143) 3.468 2.632 ( 5.249 1.557 -0.609) 5.509 2.672 ( 1.741 -2.303 -1.860) 3.434 2.720 ( -3.377 -1.451 4.567) 5.862 2.751 ( 0.768 -1.700 -3.011) 3.542 2.792 ( 0.206 -0.954 -0.487) 1.091 2.872 ( 0.184 -0.722 -0.484) 0.889 2.944 ( 6.298 -1.232 5.043) 8.161 3.028 ( 0.645 -0.835 -1.663) 1.969 3.079 ( 2.815 -1.464 -6.823) 7.525 3.135 ( -0.032 1.420 3.968) 4.215 3.203 ( -1.946 -5.140 0.208) 5.500 3.220 ( -3.648 -0.216 -4.782) 6.019 3.276 ( 6.732 -1.404 -6.802) 9.673 3.345 ( 3.275 -1.175 -2.878) 4.515 3.365 ( 1.272 -1.125 -2.292) 2.853 3.479 ( 1.826 0.079 1.524) 2.380 3.584 ( 3.078 -3.547 2.918) 5.529 3.609 ( -4.339 -2.352 5.492) 7.384 3.647 ( -4.309 1.560 -1.854) 4.943 3.694 ( 6.924 -1.121 -1.425) 7.157 3.716 ( -2.445 -0.955 9.285) 9.648 3.799 ( -0.135 -11.137 -5.773) 12.545 3.864 ( -2.591 -11.583 -5.426) 13.050 3.886 ( -4.007 -1.611 -1.309) 4.512 3.938 ( -1.416 -2.700 4.799) 5.686 4.009 ( -4.210 -4.923 -1.592) 6.670 4.029 ( -5.074 -9.283 0.468) 10.589 4.100 ( -9.937 1.941 1.807) 10.284 4.157 ( -3.038 -0.625 -0.460) 3.135 4.183 ( -7.324 -1.695 -1.198) 7.613 4.263 ( 1.802 -2.698 1.762) 3.692 4.338 ( -5.795 -7.158 -2.705) 9.598 4.398 ( -2.213 0.335 -5.723) 6.145 4.483 ( -2.716 -3.139 3.317) 5.314 4.540 ( 1.265 1.829 -1.467) 2.665 4.597 ( -3.629 1.667 -1.818) 4.388 4.672 ( -0.205 -3.040 -0.061) 3.048 4.705 ( -0.466 6.197 6.323) 8.865 4.752 ( 1.180 -0.717 6.806) 6.945 4.846 ( 0.851 3.772 -0.682) 3.926 4.856 ( 1.104 1.943 -4.472) 5.000 4.911 ( 0.602 1.193 -0.540) 1.441 4.957 ( -0.786 3.048 -1.826) 3.639 4.991 ( -0.802 -1.957 3.320) 3.936 5.088 ( 0.075 2.324 2.901) 3.718 5.137 ( -0.841 1.340 0.466) 1.649 5.196 ( 1.754 1.898 -2.371) 3.507 5.250 ( -1.098 -0.085 0.164) 1.113 5.289 ( -4.266 0.819 -4.686) 6.390 5.344 ( 4.679 2.617 6.363) 8.320 5.368 ( 3.070 4.399 -0.578) 5.395 5.482 ( 0.830 2.757 1.527) 3.259 5.598 ( 0.575 1.120 -5.901) 6.034 5.613 ( -1.047 -0.183 5.322) 5.427 5.714 ( -2.680 1.487 -2.884) 4.208 5.786 ( 4.096 0.101 6.490) 7.675 5.804 ( -1.903 1.566 2.282) 3.359 5.963 ( 4.670 -0.642 -0.941) 4.807 6.026 ( -1.288 -2.222 1.473) 2.961 6.044 ( -1.015 3.087 -5.264) 6.186 6.231 ( 3.681 1.745 3.113) 5.127 6.300 ( 2.388 -1.000 -4.164) 4.903 6.393 ( -4.228 2.794 -8.746) 10.108 6.504 ( 5.915 3.515 -1.547) 7.052 6.547 ( 1.906 -0.140 -0.297) 1.934 6.691 ( 4.608 -0.610 2.350) 5.209 6.741 ( -0.569 1.636 3.865) 4.235 6.828 ( -3.516 -1.480 -0.930) 3.926 6.908 ( 0.200 4.129 1.975) 4.582 6.983 ( 3.094 0.166 0.150) 3.102 7.104 ( -0.105 -7.831 0.883) 7.881 7.144 ( 2.855 3.570 1.284) 4.748 7.303 ( -0.699 -5.296 -2.078) 5.732 7.464 ( 6.780 5.870 1.954) 9.179 7.656 ( 7.724 -1.825 1.100) 8.013 7.666 ( -0.507 2.429 -2.343) 3.412 7.725 ( -4.398 1.977 -0.989) 4.922 7.808 ( 0.037 4.589 1.328) 4.778 7.870 ( -0.572 5.746 -0.997) 5.860 7.920 ( -1.470 1.617 -6.130) 6.508 8.159 ( 11.233 -2.687 -0.094) 11.551 8.238 ( 1.391 -0.712 6.848) 7.024 8.281 ( 7.855 1.692 1.861) 8.248 8.293 ( -1.715 4.610 -2.111) 5.352 8.382 ( 10.722 5.719 1.139) 12.206 8.468 ( 5.185 -6.457 -0.089) 8.281 8.637 ( -2.086 5.879 -0.022) 6.238 8.746 ( 3.203 4.085 -4.725) 7.019 8.835 ( 7.307 8.714 1.040) 11.420 8.989 ( 0.047 4.271 -3.517) 5.533 9.012 ( 3.273 3.091 0.251) 4.509 9.137 ( 2.593 7.858 -3.679) 9.056 9.262 ( 0.242 7.069 -0.344) 7.081 9.324 ( 5.420 11.976 3.658) 13.645 9.658 ( -12.513 -10.739 7.584) 18.150 9.790 ( -4.786 -5.945 -5.258) 9.268 9.946 ( -16.417 1.875 -3.362) 16.863 10.152 ( -2.220 6.303 0.104) 6.684 10.171 ( -6.258 1.654 3.331) 7.280 10.285 ( -1.472 -4.472 7.806) 9.116 10.381 ( -14.455 7.389 0.104) 16.234 10.599 ( -0.028 -1.236 -8.560) 8.648 10.685 ( -1.484 1.009 -4.854) 5.175 10.891 ( -0.847 -5.443 -0.131) 5.510 11.022 ( 0.193 -5.804 2.370) 6.272 11.094 ( -0.302 -4.193 -2.706) 4.999 11.302 ( -0.279 -3.141 -0.661) 3.221 11.364 ( 7.183 -1.763 4.410) 8.611 11.477 ( 5.247 -3.361 0.953) 6.304 11.741 ( 4.675 -6.319 -3.041) 8.428 11.817 ( -0.582 -5.690 1.486) 5.910 11.922 ( 9.692 -12.013 -1.250) 15.486 12.073 ( 0.030 -1.921 0.557) 2.000 12.235 ( -4.949 -9.248 -1.613) 10.613 12.255 ( -0.748 -4.455 -3.654) 5.810 12.420 ( 0.335 1.223 0.964) 1.593 12.508 ( -0.109 4.886 -1.278) 5.052 12.655 ( -1.094 6.578 2.375) 7.078 12.690 ( -0.176 4.514 2.499) 5.163 12.793 ( 1.485 7.491 2.935) 8.182 12.882 ( 1.415 11.264 -0.927) 11.390 12.932 ( 1.783 10.260 -0.013) 10.414 12.967 ( -0.397 6.639 -0.071) 6.651 13.024 ( -1.601 3.261 -0.544) 3.673 13.083 ( 0.138 4.385 -3.811) 5.811 13.213 ( -0.288 2.287 -0.227) 2.316 13.254 ( -0.593 1.973 -0.834) 2.223 14.407 ( 1.231 -1.532 -0.712) 2.091 14.431 ( 1.743 -0.711 0.493) 1.946 14.543 ( 3.396 -3.431 -0.711) 4.879 14.707 ( 1.597 -2.439 0.331) 2.934 14.824 ( 6.799 -0.633 -7.205) 9.927 14.888 ( 9.653 0.649 -1.575) 9.802 15.090 ( -2.288 -1.274 -1.520) 3.028 15.131 ( -1.024 0.578 -0.609) 1.324 15.282 ( 8.719 1.217 3.169) 9.357 15.473 ( 16.025 -6.735 -0.634) 17.394 16.007 ( -27.114 -26.068 19.774) 42.494 16.394 ( -40.725 -12.217 -5.569) 42.881 17.955 ( -1.286 3.617 0.314) 3.852 18.087 ( -2.243 5.947 0.911) 6.421 18.292 ( 1.182 -1.880 -0.558) 2.289 18.365 ( -0.494 -0.477 -1.241) 1.419 18.440 ( -2.033 -0.932 2.623) 3.447 18.477 ( 1.420 -0.734 -3.927) 4.240 18.571 ( 1.041 1.430 3.544) 3.961 18.608 ( 1.680 3.583 -0.485) 3.987 18.840 ( -0.034 -2.394 -0.688) 2.491 18.859 ( -0.685 -3.306 0.176) 3.381 19.026 ( 1.763 2.779 0.515) 3.331 19.037 ( -0.457 2.505 -0.170) 2.552 20.814 ( 16.087 4.666 7.709) 18.439 21.124 ( 0.183 8.944 -3.991) 9.796 21.282 ( -2.231 -3.415 -6.660) 7.810 21.419 ( 5.328 2.504 -4.145) 7.200 23.102 ( -3.237 -2.424 -1.386) 4.275 23.168 ( 1.154 0.990 0.106) 1.525 23.336 ( -2.872 -1.925 1.085) 3.623 23.361 ( -2.184 -2.542 -0.118) 3.353 23.539 ( 7.207 0.005 1.686) 7.402 23.552 ( 4.563 -1.328 -2.233) 5.250 23.620 ( -3.641 -1.387 4.526) 5.972 23.842 ( -3.384 -2.671 -0.505) 4.340 ======================= Grid point 10 (8/50) ======================= q-point: (-0.50 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.373 ( 0.000 1.586 0.000) 1.586 1.409 ( -0.000 4.300 0.000) 4.300 1.521 ( 0.000 6.517 0.000) 6.517 1.530 ( -0.000 8.176 0.000) 8.176 1.604 ( 0.000 3.227 -0.000) 3.227 1.741 ( 0.000 2.746 0.000) 2.746 1.763 ( 0.000 8.914 -0.000) 8.914 1.788 ( -0.000 0.051 0.000) 0.051 2.198 ( 0.000 3.488 0.000) 3.488 2.211 ( 0.000 -4.888 0.000) 4.888 2.322 ( 0.000 3.784 0.000) 3.784 2.334 ( 0.000 -2.654 0.000) 2.654 2.350 ( 0.000 5.099 0.000) 5.099 2.374 ( 0.000 -4.620 -0.000) 4.620 2.465 ( 0.000 -0.284 0.000) 0.284 2.558 ( 0.000 -0.623 0.000) 0.623 2.636 ( 0.000 -6.852 0.000) 6.852 2.670 ( 0.000 5.477 0.000) 5.477 2.684 ( 0.000 -1.816 0.000) 1.816 2.741 ( 0.000 -6.680 0.000) 6.680 2.845 ( 0.000 1.146 0.000) 1.146 2.846 ( -0.000 -0.852 -0.000) 0.852 2.933 ( 0.000 2.655 0.000) 2.655 2.948 ( -0.000 -0.361 -0.000) 0.361 2.999 ( 0.000 -3.192 -0.000) 3.192 3.096 ( 0.000 -4.507 0.000) 4.507 3.115 ( 0.000 -1.285 0.000) 1.285 3.186 ( -0.000 3.300 0.000) 3.300 3.199 ( 0.000 10.540 -0.000) 10.540 3.237 ( -0.000 -2.835 0.000) 2.835 3.356 ( 0.000 4.151 -0.000) 4.151 3.361 ( -0.000 -0.777 0.000) 0.777 3.489 ( 0.000 -0.108 0.000) 0.108 3.563 ( 0.000 -0.188 0.000) 0.188 3.604 ( 0.000 -1.295 0.000) 1.295 3.670 ( 0.000 -15.454 0.000) 15.454 3.742 ( -0.000 0.808 0.000) 0.808 3.757 ( 0.000 -8.417 0.000) 8.417 3.767 ( 0.000 0.572 -0.000) 0.572 3.828 ( 0.000 -3.658 -0.000) 3.658 3.857 ( 0.000 -2.425 0.000) 2.425 3.874 ( -0.000 -3.733 -0.000) 3.733 3.925 ( 0.000 -13.641 0.000) 13.641 4.007 ( -0.000 -5.461 -0.000) 5.461 4.048 ( 0.000 -3.322 0.000) 3.322 4.077 ( -0.000 -3.994 -0.000) 3.994 4.161 ( 0.000 -6.650 0.000) 6.650 4.269 ( 0.000 -0.773 0.000) 0.773 4.276 ( -0.000 1.965 -0.000) 1.965 4.386 ( 0.000 -2.848 -0.000) 2.848 4.413 ( -0.000 2.406 0.000) 2.406 4.562 ( 0.000 -0.563 0.000) 0.563 4.564 ( 0.000 1.845 -0.000) 1.845 4.670 ( 0.000 -4.251 0.000) 4.251 4.737 ( -0.000 3.172 0.000) 3.172 4.793 ( 0.000 -1.165 0.000) 1.165 4.855 ( 0.000 3.634 0.000) 3.634 4.882 ( 0.000 5.407 0.000) 5.407 4.887 ( -0.000 6.416 0.000) 6.416 4.930 ( 0.000 1.621 -0.000) 1.621 5.020 ( 0.000 2.323 0.000) 2.323 5.096 ( 0.000 1.473 0.000) 1.473 5.171 ( 0.000 0.392 0.000) 0.392 5.194 ( 0.000 -2.449 -0.000) 2.449 5.211 ( 0.000 2.668 0.000) 2.668 5.236 ( 0.000 -1.036 0.000) 1.036 5.418 ( 0.000 1.844 0.000) 1.844 5.438 ( 0.000 5.943 0.000) 5.943 5.484 ( -0.000 0.981 0.000) 0.981 5.561 ( 0.000 4.689 0.000) 4.689 5.622 ( 0.000 -1.393 0.000) 1.393 5.670 ( 0.000 1.082 0.000) 1.082 5.767 ( 0.000 -1.855 0.000) 1.855 5.879 ( 0.000 -0.423 0.000) 0.423 5.983 ( 0.000 5.609 0.000) 5.609 6.032 ( 0.000 -3.305 0.000) 3.305 6.044 ( 0.000 -5.264 0.000) 5.264 6.206 ( 0.000 -1.088 0.000) 1.088 6.295 ( 0.000 8.981 0.000) 8.981 6.359 ( 0.000 0.889 0.000) 0.889 6.535 ( 0.000 -2.930 -0.000) 2.930 6.556 ( 0.000 5.406 0.000) 5.406 6.733 ( 0.000 5.690 0.000) 5.690 6.770 ( -0.000 -1.915 0.000) 1.915 6.781 ( 0.000 -3.359 0.000) 3.359 6.933 ( 0.000 2.936 0.000) 2.936 7.020 ( 0.000 2.997 0.000) 2.997 7.098 ( 0.000 -10.006 0.000) 10.006 7.182 ( 0.000 5.569 0.000) 5.569 7.283 ( 0.000 -8.487 0.000) 8.487 7.556 ( -0.000 7.054 0.000) 7.054 7.645 ( 0.000 1.836 0.000) 1.836 7.655 ( -0.000 1.613 0.000) 1.613 7.740 ( 0.000 -2.232 -0.000) 2.232 7.786 ( 0.000 2.308 0.000) 2.308 7.837 ( 0.000 4.788 0.000) 4.788 7.894 ( 0.000 4.930 -0.000) 4.930 8.232 ( 0.000 -3.788 0.000) 3.788 8.252 ( 0.000 6.146 0.000) 6.146 8.332 ( -0.000 -0.128 0.000) 0.128 8.346 ( 0.000 2.040 -0.000) 2.040 8.493 ( 0.000 -9.419 0.000) 9.419 8.585 ( 0.000 -7.972 0.000) 7.972 8.614 ( 0.000 5.041 0.000) 5.041 8.727 ( 0.000 6.594 0.000) 6.594 8.915 ( 0.000 14.416 0.000) 14.416 8.944 ( 0.000 0.221 0.000) 0.221 9.060 ( 0.000 6.344 0.000) 6.344 9.256 ( -0.000 9.444 0.000) 9.444 9.293 ( -0.000 14.299 -0.000) 14.299 9.296 ( 0.000 -5.252 0.000) 5.252 9.511 ( 0.000 -4.789 0.000) 4.789 9.771 ( 0.000 4.406 0.000) 4.406 9.812 ( 0.000 -4.924 0.000) 4.924 10.028 ( 0.000 9.518 0.000) 9.518 10.124 ( 0.000 2.311 0.000) 2.311 10.325 ( 0.000 -6.464 -0.000) 6.464 10.340 ( 0.000 13.039 -0.000) 13.039 10.503 ( 0.000 3.770 0.000) 3.770 10.642 ( 0.000 -5.631 0.000) 5.631 10.886 ( 0.000 -5.797 0.000) 5.797 11.050 ( 0.000 -5.579 -0.000) 5.579 11.060 ( 0.000 -5.585 0.000) 5.585 11.294 ( 0.000 -2.548 0.000) 2.548 11.443 ( 0.000 -7.537 0.000) 7.537 11.600 ( 0.000 -3.499 0.000) 3.499 11.703 ( 0.000 0.845 0.000) 0.845 11.830 ( 0.000 -5.681 -0.000) 5.681 12.028 ( 0.000 -10.659 0.000) 10.659 12.102 ( 0.000 -4.116 0.000) 4.116 12.135 ( 0.000 -7.994 0.000) 7.994 12.213 ( 0.000 -10.036 0.000) 10.036 12.437 ( 0.000 5.223 0.000) 5.223 12.497 ( 0.000 0.395 0.000) 0.395 12.654 ( 0.000 5.770 0.000) 5.770 12.736 ( 0.000 2.719 0.000) 2.719 12.833 ( 0.000 9.285 0.000) 9.285 12.884 ( 0.000 12.479 0.000) 12.479 12.936 ( 0.000 8.895 0.000) 8.895 12.969 ( 0.000 5.173 0.000) 5.173 13.004 ( 0.000 4.992 0.000) 4.992 13.044 ( 0.000 4.636 0.000) 4.636 13.200 ( 0.000 1.064 0.000) 1.064 13.254 ( 0.000 3.885 0.000) 3.885 14.413 ( 0.000 -1.963 0.000) 1.963 14.450 ( 0.000 -0.698 0.000) 0.698 14.574 ( 0.000 -4.987 0.000) 4.987 14.727 ( 0.000 -3.206 -0.000) 3.206 14.826 ( 0.000 1.376 0.000) 1.376 14.962 ( 0.000 -0.522 0.000) 0.522 15.055 ( 0.000 -1.075 0.000) 1.075 15.119 ( 0.000 1.322 0.000) 1.322 15.632 ( -0.000 -6.330 -0.000) 6.330 15.655 ( 0.000 -9.348 0.000) 9.348 15.739 ( -0.000 -8.461 0.000) 8.461 15.859 ( 0.000 -10.571 0.000) 10.571 17.944 ( 0.000 3.474 0.000) 3.474 18.073 ( 0.000 7.503 0.000) 7.503 18.316 ( 0.000 -0.003 0.000) 0.003 18.342 ( 0.000 -3.261 0.000) 3.261 18.447 ( -0.000 -0.628 0.000) 0.628 18.449 ( 0.000 -1.881 -0.000) 1.881 18.609 ( 0.000 4.835 -0.000) 4.835 18.616 ( 0.000 0.824 0.000) 0.824 18.827 ( 0.000 -5.034 0.000) 5.034 18.861 ( 0.000 -0.421 0.000) 0.421 19.029 ( 0.000 2.510 0.000) 2.510 19.052 ( -0.000 2.792 0.000) 2.792 21.061 ( 0.000 2.383 -0.000) 2.383 21.119 ( 0.000 -0.662 -0.000) 0.662 21.136 ( 0.000 1.856 0.000) 1.856 21.455 ( 0.000 1.566 0.000) 1.566 23.058 ( 0.000 -2.479 0.000) 2.479 23.195 ( 0.000 1.547 0.000) 1.547 23.304 ( 0.000 -1.124 0.000) 1.124 23.340 ( 0.000 -3.478 0.000) 3.478 23.581 ( -0.000 -0.887 0.000) 0.887 23.601 ( 0.000 -1.283 -0.000) 1.283 23.639 ( 0.000 -0.376 0.000) 0.376 23.793 ( 0.000 -2.087 0.000) 2.087 ======================= Grid point 14 (9/50) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.038 ( 0.000 24.522 0.000) 24.522 1.172 ( 0.000 27.935 0.000) 27.935 1.687 ( 0.000 3.167 0.000) 3.167 1.845 ( 0.000 2.297 0.000) 2.297 1.870 ( 0.000 5.211 0.000) 5.211 1.882 ( 0.000 -6.890 0.000) 6.890 1.953 ( 0.000 0.274 0.000) 0.274 1.964 ( 0.000 4.828 0.000) 4.828 2.053 ( 0.000 2.746 0.000) 2.746 2.165 ( 0.000 30.975 0.000) 30.975 2.226 ( 0.000 -1.190 0.000) 1.190 2.290 ( 0.000 -7.544 0.000) 7.544 2.368 ( 0.000 3.613 0.000) 3.613 2.464 ( 0.000 -9.629 0.000) 9.629 2.481 ( 0.000 -1.974 0.000) 1.974 2.557 ( 0.000 -0.050 0.000) 0.050 2.574 ( 0.000 -0.971 0.000) 0.971 2.669 ( 0.000 -3.441 0.000) 3.441 2.671 ( 0.000 1.092 0.000) 1.092 2.693 ( 0.000 1.434 0.000) 1.434 2.739 ( 0.000 -3.587 0.000) 3.587 2.802 ( 0.000 -0.358 0.000) 0.358 2.893 ( 0.000 -10.998 0.000) 10.998 2.908 ( 0.000 -1.714 0.000) 1.714 3.017 ( 0.000 3.224 0.000) 3.224 3.017 ( 0.000 -1.207 0.000) 1.207 3.086 ( 0.000 -2.735 0.000) 2.735 3.108 ( 0.000 -3.084 0.000) 3.084 3.153 ( 0.000 -7.687 0.000) 7.687 3.239 ( 0.000 -0.171 0.000) 0.171 3.320 ( 0.000 3.573 0.000) 3.573 3.337 ( 0.000 -3.827 0.000) 3.827 3.397 ( 0.000 3.912 0.000) 3.912 3.405 ( 0.000 -2.080 0.000) 2.080 3.452 ( 0.000 3.183 0.000) 3.183 3.474 ( 0.000 1.553 0.000) 1.553 3.617 ( 0.000 -10.285 0.000) 10.285 3.621 ( 0.000 -5.846 0.000) 5.846 3.715 ( 0.000 -9.478 0.000) 9.478 3.791 ( 0.000 -17.682 0.000) 17.682 3.883 ( 0.000 -0.033 0.000) 0.033 3.901 ( 0.000 -17.181 0.000) 17.181 3.952 ( 0.000 -11.753 0.000) 11.753 3.978 ( 0.000 -3.317 0.000) 3.317 4.097 ( 0.000 0.016 0.000) 0.016 4.185 ( 0.000 -2.342 0.000) 2.342 4.217 ( 0.000 3.478 0.000) 3.478 4.248 ( 0.000 -0.954 0.000) 0.954 4.435 ( 0.000 -2.050 0.000) 2.050 4.449 ( 0.000 -13.222 0.000) 13.222 4.525 ( 0.000 4.499 0.000) 4.499 4.593 ( 0.000 -7.061 0.000) 7.061 4.614 ( 0.000 0.461 0.000) 0.461 4.654 ( 0.000 4.065 0.000) 4.065 4.704 ( 0.000 -2.964 0.000) 2.964 4.773 ( 0.000 3.234 0.000) 3.234 4.860 ( 0.000 1.579 0.000) 1.579 4.925 ( 0.000 1.788 0.000) 1.788 5.008 ( 0.000 -0.993 0.000) 0.993 5.010 ( 0.000 -0.000 0.000) 0.000 5.086 ( 0.000 4.762 0.000) 4.762 5.108 ( 0.000 6.487 0.000) 6.487 5.157 ( 0.000 -0.060 0.000) 0.060 5.212 ( 0.000 -3.712 0.000) 3.712 5.228 ( 0.000 3.120 0.000) 3.120 5.232 ( 0.000 1.826 0.000) 1.826 5.363 ( 0.000 2.398 0.000) 2.398 5.490 ( 0.000 -0.135 0.000) 0.135 5.532 ( 0.000 3.211 0.000) 3.211 5.608 ( 0.000 4.961 0.000) 4.961 5.615 ( 0.000 0.341 0.000) 0.341 5.708 ( 0.000 -2.327 0.000) 2.327 5.729 ( 0.000 -0.459 0.000) 0.459 5.824 ( 0.000 5.021 0.000) 5.021 5.865 ( 0.000 0.591 0.000) 0.591 6.041 ( 0.000 -10.318 0.000) 10.318 6.126 ( 0.000 0.565 0.000) 0.565 6.212 ( 0.000 1.971 0.000) 1.971 6.222 ( 0.000 1.603 0.000) 1.603 6.276 ( 0.000 1.612 0.000) 1.612 6.388 ( 0.000 -3.287 0.000) 3.287 6.515 ( 0.000 1.536 0.000) 1.536 6.687 ( 0.000 -1.369 0.000) 1.369 6.705 ( 0.000 -0.036 0.000) 0.036 6.793 ( 0.000 -5.577 0.000) 5.577 6.893 ( 0.000 -3.203 0.000) 3.203 6.961 ( 0.000 0.103 0.000) 0.103 7.138 ( 0.000 5.562 0.000) 5.562 7.223 ( 0.000 5.953 0.000) 5.953 7.276 ( 0.000 7.135 0.000) 7.135 7.284 ( 0.000 2.134 0.000) 2.134 7.506 ( 0.000 12.726 0.000) 12.726 7.735 ( 0.000 -2.976 0.000) 2.976 7.790 ( 0.000 3.693 0.000) 3.693 7.813 ( 0.000 -4.410 0.000) 4.410 7.926 ( 0.000 5.091 0.000) 5.091 8.015 ( 0.000 4.873 0.000) 4.873 8.045 ( 0.000 1.218 0.000) 1.218 8.150 ( 0.000 2.903 0.000) 2.903 8.328 ( 0.000 8.286 0.000) 8.286 8.330 ( 0.000 -1.297 0.000) 1.297 8.443 ( 0.000 3.641 0.000) 3.641 8.605 ( 0.000 11.669 0.000) 11.669 8.668 ( 0.000 -2.659 0.000) 2.659 8.779 ( 0.000 0.333 0.000) 0.333 8.802 ( 0.000 12.392 0.000) 12.392 9.134 ( 0.000 21.728 0.000) 21.728 9.137 ( 0.000 6.145 0.000) 6.145 9.326 ( 0.000 17.928 0.000) 17.928 9.387 ( 0.000 -3.331 0.000) 3.331 9.525 ( 0.000 17.509 0.000) 17.509 9.677 ( 0.000 3.984 0.000) 3.984 10.033 ( 0.000 -0.271 0.000) 0.271 10.085 ( 0.000 0.225 0.000) 0.225 10.158 ( 0.000 -2.964 0.000) 2.964 10.308 ( 0.000 -2.453 0.000) 2.453 10.440 ( 0.000 -4.037 0.000) 4.037 10.453 ( 0.000 -11.148 0.000) 11.148 10.609 ( 0.000 -7.675 0.000) 7.675 10.777 ( 0.000 1.533 0.000) 1.533 10.895 ( 0.000 -0.522 0.000) 0.522 10.911 ( 0.000 -1.030 0.000) 1.030 11.070 ( 0.000 -13.761 0.000) 13.761 11.138 ( 0.000 -4.647 0.000) 4.647 11.141 ( 0.000 -8.651 0.000) 8.651 11.300 ( 0.000 -11.357 0.000) 11.357 11.303 ( 0.000 7.579 0.000) 7.579 11.557 ( 0.000 -7.465 0.000) 7.465 11.909 ( 0.000 -5.182 0.000) 5.182 11.910 ( 0.000 -10.947 0.000) 10.947 12.084 ( 0.000 -8.981 0.000) 8.981 12.295 ( 0.000 -7.797 0.000) 7.797 12.464 ( 0.000 1.955 0.000) 1.955 12.737 ( 0.000 5.190 0.000) 5.190 12.809 ( 0.000 5.199 0.000) 5.199 12.872 ( 0.000 4.951 0.000) 4.951 12.920 ( 0.000 7.172 0.000) 7.172 13.038 ( 0.000 7.400 0.000) 7.400 13.095 ( 0.000 6.766 0.000) 6.766 13.113 ( 0.000 5.314 0.000) 5.314 13.169 ( 0.000 8.504 0.000) 8.504 13.211 ( 0.000 7.949 0.000) 7.949 13.222 ( 0.000 3.322 0.000) 3.322 13.336 ( 0.000 1.703 0.000) 1.703 14.372 ( 0.000 -1.270 0.000) 1.270 14.387 ( 0.000 -2.751 0.000) 2.751 14.447 ( 0.000 -2.776 0.000) 2.776 14.450 ( 0.000 -0.501 0.000) 0.501 14.706 ( 0.000 2.538 0.000) 2.538 14.838 ( 0.000 5.687 0.000) 5.687 15.049 ( 0.000 -4.182 0.000) 4.182 15.058 ( 0.000 -6.686 0.000) 6.686 15.193 ( 0.000 1.230 0.000) 1.230 15.440 ( 0.000 -5.380 0.000) 5.380 15.703 ( 0.000 -10.166 0.000) 10.166 16.496 ( 0.000 -41.860 0.000) 41.860 18.206 ( 0.000 3.226 0.000) 3.226 18.214 ( 0.000 2.404 0.000) 2.404 18.360 ( 0.000 2.625 0.000) 2.625 18.403 ( 0.000 -0.607 0.000) 0.607 18.429 ( 0.000 6.089 0.000) 6.089 18.469 ( 0.000 3.548 0.000) 3.548 18.545 ( 0.000 1.995 0.000) 1.995 18.555 ( 0.000 3.392 0.000) 3.392 18.798 ( 0.000 -2.919 0.000) 2.919 18.833 ( 0.000 -2.982 0.000) 2.982 18.963 ( 0.000 1.083 0.000) 1.083 19.085 ( 0.000 -0.013 0.000) 0.013 20.763 ( 0.000 18.119 0.000) 18.119 21.084 ( 0.000 -3.796 0.000) 3.796 21.441 ( 0.000 1.594 0.000) 1.594 21.542 ( 0.000 0.799 0.000) 0.799 23.168 ( 0.000 1.235 0.000) 1.235 23.219 ( 0.000 0.002 0.000) 0.002 23.278 ( 0.000 -1.372 0.000) 1.372 23.346 ( 0.000 -2.296 0.000) 2.296 23.366 ( 0.000 -2.348 0.000) 2.348 23.454 ( 0.000 -4.027 0.000) 4.027 23.494 ( 0.000 -0.381 0.000) 0.381 23.815 ( 0.000 -6.166 0.000) 6.166 ======================= Grid point 15 (10/50) ======================= q-point: ( 0.17 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.186 ( 7.292 21.230 3.900) 22.783 1.242 ( 10.583 22.960 2.054) 25.365 1.677 ( 0.582 4.434 -3.452) 5.649 1.718 ( -4.734 2.158 -7.863) 9.428 1.856 ( 0.528 -2.013 -2.955) 3.614 1.898 ( -6.482 2.445 3.025) 7.560 1.983 ( 3.598 0.825 1.853) 4.130 2.003 ( 3.528 6.760 4.059) 8.638 2.021 ( -0.213 -1.003 -0.565) 1.171 2.187 ( -2.896 -0.663 2.593) 3.943 2.260 ( -3.049 -4.932 -1.140) 5.909 2.316 ( 5.578 21.312 4.234) 22.433 2.345 ( -3.999 5.265 -0.093) 6.612 2.396 ( -0.104 -6.150 -0.905) 6.217 2.477 ( -1.612 -2.739 -0.251) 3.189 2.526 ( 4.165 -3.722 -3.830) 6.773 2.562 ( -4.345 -1.991 0.921) 4.867 2.641 ( 1.047 -0.356 2.038) 2.319 2.661 ( -5.629 -1.542 3.648) 6.883 2.751 ( 2.698 1.092 0.177) 2.916 2.785 ( -0.012 5.546 3.289) 6.448 2.805 ( 0.250 0.120 -0.839) 0.883 2.875 ( -3.138 -4.548 -2.461) 6.048 2.944 ( -0.302 -1.819 -1.408) 2.320 2.962 ( 3.079 -3.049 0.743) 4.397 2.994 ( 3.526 -5.099 -3.158) 6.958 3.041 ( -1.671 -1.340 3.507) 4.109 3.087 ( -4.475 -6.359 -0.143) 7.777 3.167 ( -0.968 -1.247 -0.157) 1.587 3.258 ( 0.975 -1.279 -0.975) 1.880 3.323 ( 0.194 -1.297 0.021) 1.312 3.369 ( 6.254 -0.470 -3.953) 7.413 3.398 ( 2.233 -0.264 1.367) 2.631 3.450 ( 3.400 -3.563 -0.536) 4.954 3.496 ( -0.792 -4.751 -2.964) 5.655 3.550 ( 2.676 0.482 2.397) 3.625 3.572 ( -3.426 -9.389 0.211) 9.997 3.642 ( 5.076 -4.690 1.893) 7.165 3.678 ( -0.579 -6.202 -1.166) 6.337 3.787 ( -0.933 -6.911 -1.881) 7.223 3.872 ( 0.875 -9.287 -4.635) 10.416 3.921 ( 1.513 -7.113 0.983) 7.338 3.936 ( 0.631 -5.719 1.135) 5.864 4.032 ( 1.416 -6.541 -0.985) 6.765 4.050 ( 0.130 -6.310 -1.917) 6.597 4.093 ( -5.262 -5.351 -0.322) 7.512 4.240 ( -2.886 4.458 1.809) 5.610 4.284 ( 0.378 0.206 -3.206) 3.235 4.402 ( -2.568 -1.688 -1.859) 3.592 4.446 ( -5.586 0.607 3.059) 6.397 4.501 ( 2.316 -3.924 4.061) 6.103 4.581 ( 0.131 3.349 2.485) 4.172 4.609 ( -5.255 -4.377 4.918) 8.424 4.646 ( -2.370 1.417 -1.237) 3.025 4.694 ( -1.589 2.552 -2.765) 4.085 4.764 ( 3.316 -3.387 -1.816) 5.076 4.820 ( -5.745 -0.704 1.731) 6.041 4.922 ( -1.122 -1.385 -7.188) 7.406 4.944 ( -1.622 3.705 -2.847) 4.946 5.035 ( 2.954 1.508 3.442) 4.780 5.043 ( -4.118 2.281 -2.289) 5.235 5.072 ( -2.539 3.402 1.136) 4.394 5.116 ( -0.605 3.200 2.074) 3.861 5.178 ( -1.745 -3.012 1.966) 3.998 5.245 ( 0.305 -4.588 0.075) 4.598 5.338 ( 2.449 3.036 4.790) 6.177 5.352 ( -0.326 1.548 -4.912) 5.161 5.419 ( -0.753 2.005 5.084) 5.516 5.579 ( -2.555 4.692 -2.085) 5.735 5.620 ( 1.227 0.170 1.600) 2.023 5.685 ( 0.208 3.842 2.380) 4.525 5.698 ( 4.897 4.829 0.712) 6.914 5.732 ( -3.171 -2.092 -2.652) 4.633 5.807 ( 2.417 3.130 -4.619) 6.080 5.945 ( 5.269 -1.746 4.895) 7.401 6.048 ( -0.869 -1.382 -2.973) 3.392 6.122 ( 0.831 -1.779 1.726) 2.615 6.178 ( -1.084 -0.502 -5.612) 5.737 6.282 ( 3.824 1.141 3.147) 5.082 6.306 ( 5.268 -1.713 6.351) 8.427 6.456 ( 2.990 -6.302 1.753) 7.192 6.540 ( 4.723 2.684 -3.618) 6.527 6.587 ( -4.675 -3.094 -6.428) 8.530 6.741 ( 4.176 2.017 -3.002) 5.525 6.799 ( -0.769 -4.430 1.699) 4.806 6.905 ( 0.313 -3.485 1.949) 4.005 6.991 ( -0.512 1.089 3.553) 3.751 7.096 ( -1.484 3.725 -1.046) 4.144 7.186 ( 0.165 8.689 1.452) 8.811 7.301 ( 2.726 -0.027 -1.641) 3.182 7.415 ( 8.973 3.354 -0.102) 9.580 7.540 ( 6.399 10.186 -3.092) 12.420 7.728 ( -0.857 -1.819 -0.212) 2.022 7.777 ( -3.465 -2.742 0.630) 4.463 7.805 ( 1.165 2.521 0.882) 2.914 7.964 ( 3.432 1.810 -1.880) 4.311 8.009 ( -0.208 0.555 -3.292) 3.345 8.093 ( 0.997 5.984 4.924) 7.813 8.162 ( 1.452 -0.540 3.293) 3.639 8.263 ( -1.824 1.699 -4.352) 5.015 8.315 ( -3.507 3.595 1.153) 5.153 8.404 ( -1.234 5.837 -1.538) 6.161 8.610 ( -1.207 3.784 4.641) 6.108 8.744 ( -0.209 4.028 -2.698) 4.853 8.769 ( 6.370 2.065 -1.221) 6.807 8.851 ( 7.425 10.536 -0.437) 12.897 9.113 ( 1.191 17.007 -3.781) 17.463 9.234 ( 4.615 5.516 3.663) 8.071 9.303 ( -3.680 13.713 1.695) 14.299 9.351 ( 0.500 7.407 -4.836) 8.860 9.518 ( -0.795 11.276 3.322) 11.782 9.676 ( -3.177 6.696 -0.346) 7.420 9.987 ( -5.859 5.239 -1.118) 7.939 10.047 ( -0.684 -4.631 1.776) 5.007 10.105 ( -11.361 -7.243 4.879) 14.329 10.251 ( 0.043 2.136 -2.140) 3.023 10.384 ( -2.898 2.407 -0.728) 3.837 10.504 ( -3.162 -7.989 2.815) 9.041 10.624 ( 1.506 -3.796 -3.188) 5.181 10.773 ( -2.532 2.049 1.056) 3.424 10.851 ( -1.216 -3.526 1.056) 3.877 10.918 ( -1.814 -1.987 -1.747) 3.207 11.052 ( -2.038 -4.589 -0.946) 5.110 11.162 ( 6.772 -10.088 -0.186) 12.151 11.176 ( 1.504 -8.142 1.626) 8.438 11.257 ( 1.508 -5.451 2.177) 6.060 11.455 ( 11.280 -3.630 -2.541) 12.119 11.604 ( 7.213 -8.072 -3.639) 11.421 11.791 ( -7.773 -6.551 -3.093) 10.626 11.953 ( 1.057 -7.018 4.007) 8.150 12.093 ( -1.595 -11.718 0.563) 11.840 12.239 ( -5.194 -6.526 -1.411) 8.459 12.479 ( 2.452 4.207 -0.734) 4.925 12.738 ( -3.280 4.815 3.178) 6.637 12.755 ( -1.958 7.234 -3.936) 8.465 12.872 ( 0.211 7.062 -0.902) 7.123 12.877 ( -3.756 6.824 1.613) 7.955 13.026 ( 0.199 4.902 -1.148) 5.039 13.079 ( -0.750 6.454 -0.679) 6.533 13.107 ( -1.589 5.359 1.022) 5.682 13.162 ( 2.866 9.178 -3.190) 10.130 13.225 ( 0.804 7.019 -1.177) 7.162 13.264 ( 3.582 5.228 1.091) 6.431 13.320 ( -0.868 2.769 -1.476) 3.255 14.374 ( 0.253 -1.952 0.902) 2.165 14.382 ( 0.041 -0.648 -0.352) 0.738 14.449 ( 1.997 -3.273 -1.732) 4.207 14.537 ( 6.221 -5.682 0.396) 8.435 14.759 ( 4.562 2.341 1.677) 5.395 14.840 ( 3.181 4.236 -2.902) 6.040 15.053 ( 0.478 -5.058 -1.053) 5.189 15.080 ( 1.590 -4.476 0.898) 4.834 15.227 ( 4.235 1.423 0.546) 4.501 15.382 ( 0.742 0.911 -10.109) 10.177 15.638 ( -15.158 -18.276 13.844) 27.485 16.394 ( -13.827 -34.835 1.555) 37.511 18.110 ( -4.944 5.780 -2.394) 7.974 18.195 ( -3.483 2.630 2.356) 4.960 18.323 ( -3.407 3.610 1.581) 5.210 18.389 ( -1.597 -1.323 0.397) 2.111 18.459 ( 1.602 3.992 -0.962) 4.408 18.514 ( 2.384 1.662 -3.039) 4.205 18.529 ( 0.291 2.497 2.054) 3.246 18.625 ( 5.412 3.072 0.318) 6.231 18.798 ( -0.582 -2.362 1.221) 2.722 18.822 ( -0.372 -2.636 -1.470) 3.041 18.997 ( 2.437 0.414 1.608) 2.949 19.069 ( -0.380 -0.390 -1.870) 1.948 20.802 ( 3.744 13.655 1.780) 14.270 21.156 ( 2.535 -3.559 6.241) 7.618 21.366 ( -0.751 3.979 -8.369) 9.297 21.514 ( -1.361 1.434 -3.962) 4.427 23.132 ( -3.699 -1.135 -1.535) 4.163 23.177 ( -1.543 0.521 1.631) 2.305 23.311 ( -2.370 -2.931 0.411) 3.791 23.344 ( -0.906 -2.843 -0.159) 2.988 23.409 ( 6.651 -0.070 0.754) 6.694 23.451 ( 1.257 -3.519 1.814) 4.153 23.559 ( 3.535 -1.279 0.839) 3.852 23.804 ( -1.333 -5.675 -0.025) 5.829 ======================= Grid point 16 (11/50) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( 8.924 14.741 1.077) 17.265 1.470 ( 7.321 12.683 4.886) 15.438 1.616 ( 6.233 6.639 -6.948) 11.454 1.668 ( 2.355 7.178 -2.491) 7.955 1.773 ( -10.433 5.813 0.942) 11.980 1.850 ( -5.470 -0.888 2.476) 6.070 1.915 ( -5.161 -1.322 -1.878) 5.649 1.991 ( 0.522 5.904 -4.596) 7.500 2.153 ( -8.814 -2.723 2.694) 9.610 2.172 ( 8.123 -0.818 1.131) 8.242 2.244 ( -0.921 -5.741 -1.228) 5.943 2.264 ( 2.662 -0.830 7.391) 7.899 2.367 ( 1.043 -2.432 -3.883) 4.699 2.414 ( -5.871 0.683 -0.314) 5.919 2.496 ( -4.582 -5.633 -0.406) 7.273 2.529 ( -0.022 -5.629 1.145) 5.744 2.545 ( 3.141 5.307 0.028) 6.167 2.605 ( -0.149 -1.711 0.321) 1.747 2.676 ( 0.184 1.523 0.905) 1.782 2.759 ( -1.201 0.666 1.588) 2.100 2.789 ( 2.795 6.422 2.585) 7.465 2.860 ( 5.387 4.261 -1.447) 7.019 2.907 ( 2.737 1.701 3.383) 4.672 2.915 ( -2.608 1.747 0.963) 3.284 2.977 ( -2.028 -8.896 0.411) 9.133 3.041 ( 0.978 -0.462 1.468) 1.823 3.051 ( 7.617 -2.439 -3.784) 8.848 3.143 ( 5.683 -0.221 1.040) 5.781 3.211 ( 7.909 -4.796 -1.073) 9.311 3.235 ( -2.903 -2.196 -6.529) 7.475 3.286 ( -0.752 -4.681 2.217) 5.234 3.387 ( 1.195 -3.066 -1.183) 3.497 3.409 ( 1.763 -1.122 -1.585) 2.623 3.416 ( -0.049 -7.352 -5.479) 9.169 3.481 ( -0.573 -12.269 -1.857) 12.422 3.534 ( 1.882 -7.560 1.066) 7.863 3.618 ( -2.528 -3.253 1.029) 4.247 3.665 ( 2.179 -3.904 1.090) 4.602 3.723 ( 1.089 -2.538 1.445) 3.117 3.768 ( -5.769 -13.218 -2.732) 14.679 3.811 ( -2.825 -1.867 2.845) 4.423 3.880 ( 0.693 6.278 -4.546) 7.782 3.932 ( -1.021 -2.805 0.407) 3.013 4.014 ( -3.954 -4.909 2.325) 6.719 4.046 ( 0.198 -6.999 -3.462) 7.811 4.112 ( -9.258 8.309 1.377) 12.515 4.185 ( 7.772 3.562 2.546) 8.921 4.270 ( -4.944 -1.498 3.264) 6.111 4.308 ( -11.222 3.446 2.309) 11.964 4.386 ( 1.549 2.371 -0.205) 2.840 4.451 ( -4.231 -1.103 -3.945) 5.889 4.557 ( -1.412 -0.520 -1.856) 2.389 4.596 ( -4.492 -2.069 -0.049) 4.946 4.630 ( 0.999 -0.414 1.175) 1.597 4.723 ( 3.104 0.098 -1.021) 3.269 4.754 ( 1.296 -2.201 5.562) 6.121 4.837 ( 0.430 -2.257 1.877) 2.967 4.875 ( 0.606 0.258 -5.015) 5.058 4.925 ( 0.938 0.259 -3.362) 3.500 4.965 ( 3.063 2.236 4.261) 5.705 5.037 ( -1.125 1.317 -0.753) 1.889 5.064 ( -2.384 -1.283 4.121) 4.931 5.169 ( 0.241 -0.584 1.941) 2.041 5.187 ( -0.921 -3.751 -2.375) 4.534 5.276 ( -0.451 -0.029 -2.927) 2.962 5.323 ( 3.361 1.573 7.220) 8.118 5.374 ( -0.269 1.159 -3.208) 3.421 5.426 ( -2.930 3.869 -5.125) 7.058 5.537 ( -0.796 3.457 5.449) 6.502 5.606 ( 0.785 0.502 -1.248) 1.558 5.676 ( -2.259 2.941 5.084) 6.293 5.752 ( -0.403 1.359 2.140) 2.567 5.804 ( 3.324 0.361 1.168) 3.541 5.817 ( 0.890 -0.375 0.342) 1.024 5.882 ( -2.249 -1.216 -5.190) 5.785 6.011 ( -0.348 -0.087 -2.706) 2.730 6.136 ( 1.662 5.102 -1.471) 5.564 6.223 ( 0.472 -2.485 2.115) 3.297 6.346 ( 0.963 2.776 -4.424) 5.311 6.399 ( -0.735 -4.400 -2.453) 5.091 6.482 ( -0.486 -2.506 -0.245) 2.564 6.501 ( 5.819 -3.680 2.322) 7.266 6.619 ( 4.965 -5.635 1.052) 7.584 6.762 ( -2.143 -1.392 1.658) 3.046 6.797 ( 2.535 1.245 -3.486) 4.486 6.940 ( 1.876 0.193 0.136) 1.891 7.010 ( -1.196 1.148 2.982) 3.412 7.083 ( 1.804 -1.289 -1.264) 2.552 7.261 ( 2.380 8.878 0.634) 9.213 7.300 ( 2.453 5.599 -1.135) 6.218 7.548 ( 5.642 1.581 1.757) 6.117 7.624 ( 5.444 1.651 -1.267) 5.828 7.699 ( -0.339 -0.392 -2.330) 2.387 7.721 ( -4.585 -2.073 0.500) 5.056 7.808 ( -1.704 -2.370 -1.016) 3.091 7.938 ( -0.397 -0.242 -1.724) 1.785 8.002 ( 0.433 4.401 -1.987) 4.848 8.133 ( 3.018 -0.800 -1.314) 3.387 8.222 ( -2.421 -0.589 1.534) 2.926 8.254 ( 4.456 -1.640 -0.427) 4.768 8.305 ( -0.196 -2.151 6.054) 6.428 8.404 ( 1.769 3.551 0.867) 4.061 8.626 ( -2.444 4.499 3.493) 6.197 8.707 ( 0.437 7.605 -4.047) 8.626 8.848 ( 6.886 0.614 -2.827) 7.469 8.999 ( 5.914 11.217 0.170) 12.681 9.088 ( 2.859 10.545 -1.608) 11.043 9.257 ( -2.237 10.240 -0.242) 10.484 9.289 ( -3.173 8.651 1.001) 9.268 9.384 ( 6.341 8.295 -0.281) 10.445 9.522 ( -8.679 1.911 4.943) 10.169 9.599 ( -1.476 13.343 0.411) 13.431 9.850 ( -3.052 12.222 0.689) 12.616 10.002 ( -5.192 1.614 -2.115) 5.834 10.121 ( 3.561 -2.224 1.472) 4.449 10.200 ( -2.599 -0.723 -0.754) 2.801 10.358 ( -4.035 9.805 4.185) 11.399 10.461 ( -2.636 -7.853 1.487) 8.416 10.509 ( -7.522 2.485 -2.077) 8.190 10.733 ( -2.209 2.789 -1.645) 3.920 10.806 ( -2.105 -2.801 -2.232) 4.154 10.930 ( 0.675 -3.964 2.295) 4.630 10.998 ( -0.679 -3.949 -6.944) 8.017 11.189 ( 0.706 -8.337 0.590) 8.388 11.255 ( 3.325 -10.344 -1.655) 10.991 11.398 ( 7.225 -3.069 6.885) 10.441 11.582 ( 6.109 -8.096 -3.303) 10.667 11.687 ( 3.281 -7.640 -1.145) 8.394 11.716 ( 5.656 -8.165 0.552) 9.948 11.985 ( -4.418 -9.919 3.036) 11.274 12.037 ( -1.940 -10.327 -1.442) 10.606 12.115 ( -6.756 -5.635 -2.669) 9.194 12.529 ( 3.455 7.223 0.405) 8.017 12.656 ( -2.930 8.226 -1.961) 8.950 12.764 ( -0.576 3.423 3.509) 4.935 12.803 ( -3.323 7.085 -0.229) 7.829 12.922 ( 2.132 4.798 2.394) 5.770 13.020 ( -0.219 2.233 -0.477) 2.293 13.055 ( -0.761 3.414 -0.923) 3.618 13.095 ( -0.945 6.555 0.131) 6.624 13.187 ( 2.780 10.222 -1.465) 10.694 13.205 ( -0.234 7.922 -2.663) 8.361 13.282 ( -1.144 4.876 -1.907) 5.359 13.329 ( 2.513 6.087 0.802) 6.634 14.374 ( 0.384 -1.762 -0.888) 2.010 14.403 ( 1.127 -2.132 1.000) 2.611 14.464 ( 1.665 -4.269 -1.348) 4.777 14.611 ( 2.643 -7.167 -0.471) 7.653 14.834 ( 3.676 1.203 -1.673) 4.214 14.902 ( 5.145 0.502 -0.693) 5.216 15.043 ( -0.497 -3.014 -1.623) 3.459 15.104 ( 0.915 -3.427 -0.357) 3.565 15.307 ( 4.141 0.182 -2.536) 4.860 15.373 ( 10.496 -2.050 0.509) 10.706 15.546 ( -12.678 -18.311 11.229) 24.942 16.086 ( -23.042 -17.713 -0.073) 29.063 18.045 ( -1.176 5.224 -1.078) 5.462 18.187 ( -0.190 2.610 2.833) 3.857 18.301 ( -1.191 3.951 0.711) 4.188 18.356 ( -3.103 -1.222 0.614) 3.391 18.438 ( -1.970 1.385 -0.766) 2.527 18.481 ( 0.906 1.562 -5.078) 5.390 18.588 ( 1.436 0.303 2.913) 3.262 18.697 ( 2.575 4.437 0.452) 5.150 18.783 ( -0.843 -2.057 -1.993) 2.986 18.829 ( 1.034 -0.818 1.946) 2.350 19.041 ( -0.173 -1.458 -0.948) 1.748 19.058 ( 1.900 0.472 1.174) 2.283 20.915 ( 5.299 4.498 4.067) 8.053 21.213 ( -3.270 -2.889 -0.053) 4.364 21.278 ( -0.658 6.108 -2.680) 6.702 21.459 ( 2.370 1.671 -4.554) 5.399 23.048 ( -3.545 -2.781 -1.943) 4.907 23.192 ( 1.255 1.320 1.383) 2.287 23.268 ( -2.446 -4.454 0.405) 5.098 23.310 ( -3.361 -2.997 1.045) 4.623 23.508 ( 4.394 -2.672 -1.143) 5.268 23.545 ( 7.218 0.206 0.924) 7.280 23.592 ( -0.741 -1.325 1.004) 1.820 23.773 ( -2.386 -4.349 -0.015) 4.960 ======================= Grid point 17 (12/50) ======================= q-point: (-0.50 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 0.000 6.967 0.000) 6.967 1.536 ( -0.000 7.743 0.000) 7.743 1.652 ( 0.000 5.910 0.000) 5.910 1.691 ( -0.000 7.962 -0.000) 7.962 1.710 ( 0.000 8.279 0.000) 8.279 1.752 ( -0.000 1.872 0.000) 1.872 1.856 ( 0.000 2.939 0.000) 2.939 1.958 ( 0.000 11.072 0.000) 11.072 2.088 ( 0.000 -5.172 0.000) 5.172 2.217 ( 0.000 -8.023 0.000) 8.023 2.285 ( 0.000 -0.746 0.000) 0.746 2.301 ( -0.000 2.952 -0.000) 2.952 2.350 ( 0.000 -7.670 0.000) 7.670 2.385 ( 0.000 -0.031 -0.000) 0.031 2.421 ( 0.000 -4.978 -0.000) 4.978 2.488 ( -0.000 -2.390 0.000) 2.390 2.596 ( 0.000 -3.188 0.000) 3.188 2.617 ( 0.000 -2.724 0.000) 2.724 2.665 ( 0.000 -1.012 0.000) 1.012 2.761 ( 0.000 2.346 0.000) 2.346 2.862 ( 0.000 2.801 0.000) 2.801 2.885 ( 0.000 1.745 0.000) 1.745 2.918 ( 0.000 -1.278 0.000) 1.278 2.926 ( -0.000 -4.158 0.000) 4.158 3.006 ( 0.000 0.910 0.000) 0.910 3.028 ( 0.000 -3.012 0.000) 3.012 3.098 ( 0.000 1.280 0.000) 1.280 3.127 ( 0.000 -2.497 0.000) 2.497 3.210 ( -0.000 -14.261 0.000) 14.261 3.321 ( 0.000 0.944 0.000) 0.944 3.343 ( 0.000 -0.093 -0.000) 0.093 3.371 ( 0.000 -3.291 0.000) 3.291 3.412 ( -0.000 -5.423 -0.000) 5.423 3.443 ( 0.000 -4.409 0.000) 4.409 3.469 ( 0.000 -6.667 0.000) 6.667 3.552 ( 0.000 -5.506 0.000) 5.506 3.611 ( -0.000 -1.745 0.000) 1.745 3.674 ( -0.000 -3.219 0.000) 3.219 3.676 ( 0.000 -6.981 -0.000) 6.981 3.753 ( -0.000 -5.040 0.000) 5.040 3.769 ( 0.000 -0.713 -0.000) 0.713 3.898 ( -0.000 -6.738 0.000) 6.738 3.924 ( 0.000 4.288 0.000) 4.288 3.951 ( 0.000 1.383 0.000) 1.383 4.025 ( 0.000 4.887 0.000) 4.887 4.030 ( -0.000 1.310 -0.000) 1.310 4.068 ( -0.000 4.214 0.000) 4.214 4.275 ( 0.000 -1.731 -0.000) 1.731 4.316 ( 0.000 3.548 0.000) 3.548 4.415 ( 0.000 -0.692 0.000) 0.692 4.429 ( -0.000 7.465 0.000) 7.465 4.514 ( 0.000 -6.189 -0.000) 6.189 4.590 ( 0.000 -1.269 0.000) 1.269 4.629 ( -0.000 2.717 0.000) 2.717 4.745 ( 0.000 -3.098 0.000) 3.098 4.761 ( 0.000 1.116 -0.000) 1.116 4.829 ( 0.000 -0.803 -0.000) 0.803 4.886 ( 0.000 -4.952 0.000) 4.952 4.933 ( 0.000 -2.394 0.000) 2.394 4.989 ( 0.000 3.320 0.000) 3.320 5.093 ( 0.000 -2.188 0.000) 2.188 5.104 ( 0.000 2.495 0.000) 2.495 5.183 ( 0.000 -1.101 0.000) 1.101 5.191 ( -0.000 0.842 0.000) 0.842 5.230 ( -0.000 0.922 0.000) 0.922 5.267 ( 0.000 2.437 0.000) 2.437 5.294 ( -0.000 -5.300 0.000) 5.300 5.518 ( 0.000 -2.971 0.000) 2.971 5.584 ( -0.000 3.883 0.000) 3.883 5.589 ( 0.000 4.610 -0.000) 4.610 5.682 ( 0.000 1.850 0.000) 1.850 5.704 ( 0.000 4.570 -0.000) 4.570 5.743 ( 0.000 0.042 0.000) 0.042 5.898 ( 0.000 -4.255 0.000) 4.255 5.955 ( 0.000 2.653 0.000) 2.653 5.980 ( -0.000 -1.330 0.000) 1.330 6.104 ( 0.000 -2.556 0.000) 2.556 6.152 ( 0.000 3.475 0.000) 3.475 6.390 ( 0.000 -4.578 0.000) 4.578 6.408 ( 0.000 3.625 0.000) 3.625 6.416 ( -0.000 -0.724 -0.000) 0.724 6.589 ( 0.000 -3.182 0.000) 3.182 6.687 ( 0.000 -8.723 0.000) 8.723 6.721 ( 0.000 -2.398 0.000) 2.398 6.806 ( 0.000 3.820 0.000) 3.820 6.954 ( 0.000 2.569 0.000) 2.569 7.009 ( 0.000 0.857 0.000) 0.857 7.116 ( 0.000 -8.186 0.000) 8.186 7.254 ( 0.000 13.087 0.000) 13.087 7.344 ( 0.000 10.109 -0.000) 10.109 7.630 ( 0.000 -2.013 0.000) 2.013 7.648 ( 0.000 -2.392 0.000) 2.392 7.653 ( 0.000 -1.454 0.000) 1.454 7.706 ( 0.000 1.022 0.000) 1.022 7.767 ( 0.000 -0.781 0.000) 0.781 7.946 ( 0.000 -0.602 0.000) 0.602 7.974 ( 0.000 5.579 -0.000) 5.579 8.149 ( 0.000 -8.250 -0.000) 8.250 8.196 ( 0.000 -0.099 0.000) 0.099 8.326 ( 0.000 -6.083 -0.000) 6.083 8.333 ( 0.000 0.685 0.000) 0.685 8.444 ( 0.000 -0.187 0.000) 0.187 8.636 ( 0.000 -1.425 0.000) 1.425 8.663 ( 0.000 12.924 -0.000) 12.924 8.928 ( 0.000 -1.681 0.000) 1.681 8.992 ( 0.000 13.900 0.000) 13.900 9.194 ( 0.000 9.201 0.000) 9.201 9.208 ( -0.000 9.674 -0.000) 9.674 9.223 ( 0.000 2.246 0.000) 2.246 9.441 ( 0.000 11.144 0.000) 11.144 9.462 ( 0.000 7.797 0.000) 7.797 9.592 ( 0.000 13.859 0.000) 13.859 9.866 ( -0.000 7.713 0.000) 7.713 9.943 ( 0.000 10.023 -0.000) 10.023 10.167 ( 0.000 2.253 0.000) 2.253 10.196 ( -0.000 -4.080 0.000) 4.080 10.244 ( 0.000 11.474 0.000) 11.474 10.443 ( 0.000 -11.211 0.000) 11.211 10.558 ( -0.000 6.222 -0.000) 6.222 10.616 ( 0.000 7.876 0.000) 7.876 10.784 ( 0.000 -3.610 0.000) 3.610 10.933 ( 0.000 -5.312 0.000) 5.312 10.954 ( 0.000 -4.294 -0.000) 4.294 11.201 ( 0.000 -6.850 0.000) 6.850 11.270 ( 0.000 -10.460 0.000) 10.460 11.525 ( 0.000 -3.893 0.000) 3.893 11.617 ( 0.000 -8.736 -0.000) 8.736 11.694 ( -0.000 -8.506 -0.000) 8.506 11.843 ( 0.000 -7.675 0.000) 7.675 11.927 ( 0.000 -13.017 0.000) 13.017 11.989 ( 0.000 -10.493 0.000) 10.493 12.030 ( 0.000 -3.154 0.000) 3.154 12.580 ( 0.000 6.844 0.000) 6.844 12.606 ( 0.000 9.195 0.000) 9.195 12.767 ( 0.000 4.721 0.000) 4.721 12.794 ( 0.000 3.070 0.000) 3.070 12.960 ( 0.000 2.970 -0.000) 2.970 13.019 ( 0.000 3.524 0.000) 3.524 13.040 ( 0.000 2.132 0.000) 2.132 13.080 ( 0.000 5.820 0.000) 5.820 13.184 ( 0.000 9.695 0.000) 9.695 13.206 ( 0.000 10.977 0.000) 10.977 13.256 ( 0.000 5.301 0.000) 5.301 13.356 ( 0.000 6.252 0.000) 6.252 14.373 ( 0.000 -2.143 0.000) 2.143 14.421 ( 0.000 -2.198 0.000) 2.198 14.470 ( 0.000 -5.232 0.000) 5.232 14.628 ( 0.000 -7.171 0.000) 7.171 14.854 ( 0.000 1.141 0.000) 1.141 14.944 ( 0.000 -1.355 0.000) 1.355 15.018 ( 0.000 -2.700 0.000) 2.700 15.102 ( 0.000 -3.556 0.000) 3.556 15.388 ( -0.000 -12.259 0.000) 12.259 15.437 ( 0.000 -9.299 -0.000) 9.299 15.644 ( 0.000 -4.398 0.000) 4.398 15.733 ( -0.000 -4.103 0.000) 4.103 18.030 ( 0.000 4.999 0.000) 4.999 18.228 ( 0.000 5.525 0.000) 5.525 18.284 ( -0.000 -2.500 0.000) 2.500 18.324 ( 0.000 3.247 -0.000) 3.247 18.413 ( 0.000 -1.158 0.000) 1.158 18.454 ( 0.000 1.497 0.000) 1.497 18.619 ( 0.000 -1.155 0.000) 1.155 18.721 ( 0.000 5.874 0.000) 5.874 18.762 ( 0.000 -1.340 0.000) 1.340 18.853 ( 0.000 -0.429 0.000) 0.429 19.033 ( 0.000 -1.737 0.000) 1.737 19.084 ( 0.000 0.387 0.000) 0.387 21.021 ( -0.000 -2.761 -0.000) 2.761 21.125 ( 0.000 1.076 0.000) 1.076 21.266 ( 0.000 7.488 0.000) 7.488 21.467 ( 0.000 -0.372 0.000) 0.372 23.002 ( 0.000 -2.825 0.000) 2.825 23.227 ( 0.000 1.331 -0.000) 1.331 23.249 ( 0.000 -5.015 0.000) 5.015 23.274 ( 0.000 -2.545 0.000) 2.545 23.559 ( -0.000 -1.272 0.000) 1.272 23.567 ( 0.000 -2.089 -0.000) 2.089 23.628 ( 0.000 -0.743 0.000) 0.743 23.740 ( 0.000 -3.275 0.000) 3.275 ======================= Grid point 21 (13/50) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.476 ( 0.000 20.409 0.000) 20.409 1.665 ( 0.000 22.186 0.000) 22.186 1.739 ( 0.000 -5.524 0.000) 5.524 1.790 ( 0.000 5.135 0.000) 5.135 1.846 ( 0.000 -3.300 0.000) 3.300 1.898 ( 0.000 2.094 0.000) 2.094 1.942 ( 0.000 1.508 0.000) 1.508 2.030 ( 0.000 1.961 0.000) 1.961 2.134 ( 0.000 -5.406 0.000) 5.406 2.137 ( 0.000 3.459 0.000) 3.459 2.195 ( 0.000 -0.307 0.000) 0.307 2.265 ( 0.000 -8.185 0.000) 8.185 2.326 ( 0.000 -3.644 0.000) 3.644 2.448 ( 0.000 -5.076 0.000) 5.076 2.481 ( 0.000 -3.630 0.000) 3.630 2.512 ( 0.000 -0.104 0.000) 0.104 2.614 ( 0.000 5.862 0.000) 5.862 2.645 ( 0.000 1.852 0.000) 1.852 2.653 ( 0.000 -2.327 0.000) 2.327 2.679 ( 0.000 -2.347 0.000) 2.347 2.749 ( 0.000 2.628 0.000) 2.628 2.775 ( 0.000 -6.202 0.000) 6.202 2.830 ( 0.000 -0.122 0.000) 0.122 2.950 ( 0.000 -7.138 0.000) 7.138 2.956 ( 0.000 -9.259 0.000) 9.259 2.987 ( 0.000 -7.382 0.000) 7.382 3.035 ( 0.000 1.574 0.000) 1.574 3.051 ( 0.000 -6.813 0.000) 6.813 3.114 ( 0.000 -4.402 0.000) 4.402 3.193 ( 0.000 14.267 0.000) 14.267 3.265 ( 0.000 -4.449 0.000) 4.449 3.271 ( 0.000 -0.335 0.000) 0.335 3.311 ( 0.000 -3.216 0.000) 3.216 3.402 ( 0.000 -12.624 0.000) 12.624 3.465 ( 0.000 -3.281 0.000) 3.281 3.478 ( 0.000 -1.658 0.000) 1.658 3.525 ( 0.000 -3.206 0.000) 3.206 3.551 ( 0.000 -3.877 0.000) 3.877 3.600 ( 0.000 4.464 0.000) 4.464 3.652 ( 0.000 -4.390 0.000) 4.390 3.663 ( 0.000 6.729 0.000) 6.729 3.761 ( 0.000 -3.007 0.000) 3.007 3.882 ( 0.000 -6.177 0.000) 6.177 3.892 ( 0.000 2.622 0.000) 2.622 4.097 ( 0.000 -12.990 0.000) 12.990 4.166 ( 0.000 3.455 0.000) 3.455 4.192 ( 0.000 1.428 0.000) 1.428 4.258 ( 0.000 2.789 0.000) 2.789 4.340 ( 0.000 -9.165 0.000) 9.165 4.396 ( 0.000 4.869 0.000) 4.869 4.478 ( 0.000 0.784 0.000) 0.784 4.582 ( 0.000 -1.329 0.000) 1.329 4.646 ( 0.000 -4.395 0.000) 4.395 4.647 ( 0.000 4.211 0.000) 4.211 4.744 ( 0.000 5.396 0.000) 5.396 4.808 ( 0.000 -1.666 0.000) 1.666 4.863 ( 0.000 -0.313 0.000) 0.313 4.870 ( 0.000 0.285 0.000) 0.285 4.987 ( 0.000 -3.353 0.000) 3.353 5.084 ( 0.000 2.532 0.000) 2.532 5.100 ( 0.000 -1.671 0.000) 1.671 5.150 ( 0.000 -1.278 0.000) 1.278 5.156 ( 0.000 -1.459 0.000) 1.459 5.201 ( 0.000 1.642 0.000) 1.642 5.247 ( 0.000 2.645 0.000) 2.645 5.323 ( 0.000 2.388 0.000) 2.388 5.376 ( 0.000 -1.000 0.000) 1.000 5.419 ( 0.000 -2.215 0.000) 2.215 5.524 ( 0.000 -9.802 0.000) 9.802 5.597 ( 0.000 -2.852 0.000) 2.852 5.706 ( 0.000 4.270 0.000) 4.270 5.714 ( 0.000 6.727 0.000) 6.727 5.753 ( 0.000 4.474 0.000) 4.474 5.875 ( 0.000 -1.333 0.000) 1.333 5.917 ( 0.000 4.252 0.000) 4.252 5.965 ( 0.000 1.701 0.000) 1.701 6.072 ( 0.000 -1.543 0.000) 1.543 6.215 ( 0.000 -4.262 0.000) 4.262 6.244 ( 0.000 0.128 0.000) 0.128 6.328 ( 0.000 -0.755 0.000) 0.755 6.346 ( 0.000 4.159 0.000) 4.159 6.496 ( 0.000 -2.111 0.000) 2.111 6.633 ( 0.000 -3.070 0.000) 3.070 6.688 ( 0.000 -2.137 0.000) 2.137 6.747 ( 0.000 -0.346 0.000) 0.346 6.819 ( 0.000 -3.304 0.000) 3.304 6.989 ( 0.000 3.025 0.000) 3.025 7.199 ( 0.000 -3.716 0.000) 3.716 7.262 ( 0.000 6.506 0.000) 6.506 7.353 ( 0.000 0.760 0.000) 0.760 7.437 ( 0.000 8.150 0.000) 8.150 7.692 ( 0.000 0.289 0.000) 0.289 7.719 ( 0.000 8.542 0.000) 8.542 7.746 ( 0.000 -1.550 0.000) 1.550 7.882 ( 0.000 3.987 0.000) 3.987 7.978 ( 0.000 -2.079 0.000) 2.079 8.054 ( 0.000 2.213 0.000) 2.213 8.061 ( 0.000 0.481 0.000) 0.481 8.162 ( 0.000 -2.587 0.000) 2.587 8.301 ( 0.000 -2.203 0.000) 2.203 8.417 ( 0.000 2.274 0.000) 2.274 8.489 ( 0.000 -0.684 0.000) 0.684 8.656 ( 0.000 3.471 0.000) 3.471 8.776 ( 0.000 6.697 0.000) 6.697 8.827 ( 0.000 4.701 0.000) 4.701 9.014 ( 0.000 8.685 0.000) 8.685 9.198 ( 0.000 -0.404 0.000) 0.404 9.324 ( 0.000 -3.369 0.000) 3.369 9.529 ( 0.000 14.113 0.000) 14.113 9.599 ( 0.000 5.025 0.000) 5.025 9.704 ( 0.000 -2.365 0.000) 2.365 9.882 ( 0.000 21.051 0.000) 21.051 10.021 ( 0.000 7.351 0.000) 7.351 10.034 ( 0.000 -7.206 0.000) 7.206 10.184 ( 0.000 0.647 0.000) 0.647 10.343 ( 0.000 -2.382 0.000) 2.382 10.380 ( 0.000 12.357 0.000) 12.357 10.442 ( 0.000 -9.046 0.000) 9.046 10.475 ( 0.000 8.598 0.000) 8.598 10.808 ( 0.000 3.782 0.000) 3.782 10.813 ( 0.000 -10.279 0.000) 10.279 10.838 ( 0.000 -6.763 0.000) 6.763 10.995 ( 0.000 -7.465 0.000) 7.465 10.996 ( 0.000 7.386 0.000) 7.386 11.074 ( 0.000 0.493 0.000) 0.493 11.114 ( 0.000 -6.476 0.000) 6.476 11.436 ( 0.000 5.874 0.000) 5.874 11.444 ( 0.000 -4.391 0.000) 4.391 11.728 ( 0.000 -7.403 0.000) 7.403 11.776 ( 0.000 -8.854 0.000) 8.854 11.877 ( 0.000 -12.613 0.000) 12.613 12.090 ( 0.000 -12.852 0.000) 12.852 12.533 ( 0.000 4.998 0.000) 4.998 12.798 ( 0.000 0.568 0.000) 0.568 12.900 ( 0.000 3.991 0.000) 3.991 12.937 ( 0.000 2.129 0.000) 2.129 13.023 ( 0.000 3.686 0.000) 3.686 13.150 ( 0.000 4.676 0.000) 4.676 13.172 ( 0.000 0.592 0.000) 0.592 13.221 ( 0.000 -0.493 0.000) 0.493 13.245 ( 0.000 7.426 0.000) 7.426 13.324 ( 0.000 5.547 0.000) 5.547 13.354 ( 0.000 6.482 0.000) 6.482 13.413 ( 0.000 4.717 0.000) 4.717 14.335 ( 0.000 -2.310 0.000) 2.310 14.344 ( 0.000 -1.452 0.000) 1.452 14.393 ( 0.000 -2.416 0.000) 2.416 14.427 ( 0.000 -1.903 0.000) 1.903 14.769 ( 0.000 3.789 0.000) 3.789 14.951 ( 0.000 5.744 0.000) 5.744 14.966 ( 0.000 -3.406 0.000) 3.406 14.990 ( 0.000 -0.846 0.000) 0.846 15.221 ( 0.000 1.684 0.000) 1.684 15.335 ( 0.000 -5.235 0.000) 5.235 15.489 ( 0.000 -11.241 0.000) 11.241 15.842 ( 0.000 -25.880 0.000) 25.880 18.247 ( 0.000 1.233 0.000) 1.233 18.272 ( 0.000 2.837 0.000) 2.837 18.390 ( 0.000 0.114 0.000) 0.114 18.418 ( 0.000 3.012 0.000) 3.012 18.548 ( 0.000 3.983 0.000) 3.983 18.553 ( 0.000 5.323 0.000) 5.323 18.587 ( 0.000 2.462 0.000) 2.462 18.614 ( 0.000 2.365 0.000) 2.365 18.751 ( 0.000 -1.729 0.000) 1.729 18.775 ( 0.000 -2.888 0.000) 2.888 18.983 ( 0.000 0.941 0.000) 0.941 19.070 ( 0.000 -1.494 0.000) 1.494 20.970 ( 0.000 4.591 0.000) 4.591 21.018 ( 0.000 -2.627 0.000) 2.627 21.487 ( 0.000 3.041 0.000) 3.041 21.565 ( 0.000 1.345 0.000) 1.345 23.202 ( 0.000 2.365 0.000) 2.365 23.233 ( 0.000 1.252 0.000) 1.252 23.249 ( 0.000 -1.432 0.000) 1.432 23.299 ( 0.000 -2.420 0.000) 2.420 23.335 ( 0.000 -0.440 0.000) 0.440 23.374 ( 0.000 -3.661 0.000) 3.661 23.473 ( 0.000 -1.900 0.000) 1.900 23.673 ( 0.000 -8.390 0.000) 8.390 ======================= Grid point 22 (14/50) ======================= q-point: ( 0.17 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( 5.180 16.039 0.714) 16.870 1.661 ( -2.188 0.825 -0.514) 2.394 1.678 ( -2.264 14.628 -0.797) 14.823 1.773 ( -0.325 2.272 1.030) 2.515 1.841 ( 0.916 -2.145 -2.429) 3.367 1.903 ( -3.845 -0.215 4.196) 5.695 1.968 ( 3.583 3.958 -2.400) 5.854 2.077 ( -3.214 0.680 2.153) 3.928 2.097 ( 4.836 2.330 1.073) 5.474 2.124 ( -2.140 -1.753 -0.943) 2.923 2.141 ( -1.754 -1.999 -0.359) 2.684 2.290 ( 4.686 -5.744 0.449) 7.427 2.374 ( -8.174 1.658 1.708) 8.514 2.387 ( 1.433 -2.959 -2.461) 4.107 2.468 ( -0.963 -1.398 0.524) 1.777 2.513 ( -4.122 -2.268 -0.561) 4.738 2.579 ( 2.436 1.202 -1.906) 3.319 2.627 ( -1.941 1.999 -0.605) 2.852 2.694 ( 0.335 -1.735 2.459) 3.027 2.702 ( 2.953 -3.853 -0.817) 4.922 2.761 ( 1.793 -3.324 -1.054) 3.921 2.784 ( -3.170 -5.385 1.404) 6.404 2.842 ( -0.424 -5.004 0.648) 5.064 2.878 ( 5.313 -1.931 -0.327) 5.663 2.939 ( -7.845 -3.528 2.904) 9.079 2.976 ( -2.169 -3.514 1.537) 4.406 3.020 ( -0.134 -0.845 0.563) 1.024 3.109 ( 3.692 0.012 0.103) 3.694 3.138 ( 1.401 -0.901 1.701) 2.380 3.210 ( -4.246 -7.208 -1.894) 8.578 3.249 ( 1.854 -1.776 -2.550) 3.618 3.279 ( 5.318 -0.532 -2.623) 5.953 3.333 ( 0.492 0.129 2.772) 2.818 3.362 ( -3.402 -8.399 1.853) 9.249 3.428 ( -3.354 -1.005 -2.166) 4.117 3.477 ( -1.754 -0.984 1.512) 2.517 3.542 ( -2.839 -2.887 3.670) 5.465 3.582 ( -0.865 -2.689 -0.946) 2.979 3.599 ( 2.639 -8.178 -3.380) 9.234 3.654 ( 3.032 -1.836 2.883) 4.569 3.724 ( 1.935 -3.410 -1.398) 4.162 3.800 ( -2.144 1.012 -0.459) 2.415 3.813 ( 6.729 -0.240 4.317) 7.998 3.945 ( 6.712 -4.897 -7.317) 11.071 4.018 ( -0.881 -2.412 -4.059) 4.803 4.132 ( 1.357 8.443 -1.013) 8.611 4.241 ( 7.049 1.756 -6.218) 9.562 4.294 ( 2.935 1.084 -0.463) 3.163 4.416 ( 0.428 -4.187 2.195) 4.747 4.459 ( -2.931 -0.036 -0.109) 2.933 4.482 ( 1.877 -2.479 10.647) 11.092 4.522 ( -1.451 2.715 -2.542) 3.993 4.580 ( -0.319 -2.308 2.624) 3.509 4.679 ( -2.776 2.390 -3.161) 4.838 4.740 ( -8.362 -2.585 0.695) 8.780 4.777 ( 0.584 6.561 0.201) 6.590 4.816 ( 0.503 2.600 0.210) 2.657 4.924 ( 2.415 0.144 -4.824) 5.397 4.942 ( -0.489 -3.251 -3.191) 4.582 5.013 ( -2.665 -2.629 -0.112) 3.745 5.070 ( -4.841 -0.790 -1.107) 5.028 5.099 ( -3.011 -0.217 -3.183) 4.387 5.143 ( 0.924 -0.180 -1.272) 1.583 5.215 ( -3.182 4.664 1.514) 5.845 5.241 ( 1.108 4.898 6.152) 7.941 5.315 ( -0.809 -2.381 -6.067) 6.568 5.396 ( 3.384 1.823 4.375) 5.824 5.427 ( 0.899 -1.516 3.156) 3.614 5.583 ( -2.524 -3.404 -0.806) 4.313 5.631 ( -3.232 -3.212 2.271) 5.091 5.687 ( -2.298 -3.321 5.584) 6.892 5.746 ( 0.331 4.208 6.216) 7.514 5.791 ( 0.644 3.259 -1.224) 3.540 5.849 ( -1.456 1.454 -3.962) 4.465 5.896 ( 6.391 0.601 3.227) 7.185 6.053 ( 5.163 -1.997 1.620) 5.768 6.076 ( -7.001 -1.274 -4.860) 8.617 6.118 ( 5.502 -2.433 -1.179) 6.130 6.271 ( -0.687 -1.093 2.699) 2.992 6.344 ( 1.096 0.223 0.719) 1.330 6.376 ( 1.255 0.286 1.003) 1.632 6.540 ( 1.985 -0.037 -5.957) 6.279 6.544 ( -0.582 -1.595 -3.104) 3.538 6.719 ( -0.984 -3.145 3.271) 4.644 6.774 ( 5.800 0.515 -2.787) 6.456 6.857 ( 2.062 -1.365 3.281) 4.109 7.009 ( 0.492 1.361 1.955) 2.433 7.123 ( -3.308 -1.269 -3.002) 4.644 7.314 ( 2.256 5.678 2.483) 6.595 7.398 ( 0.391 7.956 -1.410) 8.089 7.446 ( 5.747 -0.103 0.703) 5.791 7.636 ( -0.270 -2.035 -1.816) 2.741 7.712 ( -2.253 -0.960 -0.338) 2.472 7.760 ( 0.731 5.044 -1.868) 5.428 7.856 ( -2.936 1.661 -1.303) 3.616 7.958 ( -2.079 -2.491 -2.368) 4.017 8.059 ( 0.085 3.571 -0.079) 3.573 8.111 ( 3.096 -0.679 4.680) 5.653 8.140 ( -2.960 -4.367 0.250) 5.281 8.270 ( -1.532 -0.587 -2.529) 3.015 8.383 ( -3.470 3.891 1.924) 5.557 8.518 ( -2.846 5.254 -3.170) 6.764 8.577 ( 0.256 -3.574 3.780) 5.208 8.751 ( -1.882 0.128 -2.155) 2.864 8.921 ( 4.439 7.933 2.491) 9.426 9.048 ( 6.807 8.311 -2.054) 10.937 9.232 ( -3.175 -1.667 -0.934) 3.705 9.289 ( 0.876 -1.084 3.779) 4.028 9.506 ( -0.017 11.624 -3.418) 12.116 9.647 ( 3.883 11.608 0.489) 12.250 9.731 ( 0.995 5.284 2.911) 6.114 9.858 ( -3.308 12.389 -1.428) 12.902 9.965 ( -4.204 2.039 4.667) 6.604 10.038 ( 2.711 2.486 -4.443) 5.768 10.150 ( -1.584 4.923 -1.780) 5.469 10.335 ( -2.054 1.536 1.257) 2.856 10.382 ( -3.820 4.242 3.585) 6.741 10.467 ( 2.262 -0.874 -0.226) 2.435 10.568 ( 8.079 2.723 -2.112) 8.783 10.749 ( -0.314 -5.263 0.221) 5.277 10.814 ( -0.656 -1.686 -1.709) 2.488 10.891 ( -4.783 -1.078 3.117) 5.809 10.924 ( 0.049 -6.294 0.321) 6.302 11.030 ( 0.080 -1.522 -0.953) 1.797 11.068 ( 2.698 -0.450 -2.348) 3.604 11.173 ( 4.583 -1.615 5.628) 7.435 11.451 ( 3.594 -0.929 -2.107) 4.268 11.488 ( 5.469 -2.170 -3.137) 6.667 11.659 ( -5.401 -6.436 -1.572) 8.547 11.803 ( 1.171 -8.809 1.696) 9.047 11.856 ( -3.561 -12.562 0.728) 13.078 12.058 ( -1.953 -11.668 -2.032) 12.003 12.574 ( 2.547 5.351 2.771) 6.542 12.795 ( -2.134 0.700 2.965) 3.720 12.863 ( -4.056 4.360 0.476) 5.974 12.950 ( 0.589 1.924 0.647) 2.114 12.992 ( -1.534 4.039 -3.500) 5.560 13.096 ( -3.353 3.162 -0.727) 4.666 13.159 ( -3.902 1.656 -0.946) 4.343 13.167 ( -0.878 0.648 0.512) 1.206 13.306 ( 4.848 6.518 -1.569) 8.273 13.356 ( 1.264 6.627 -1.157) 6.845 13.370 ( 3.985 5.137 -0.540) 6.524 13.418 ( 0.804 5.126 -0.217) 5.193 14.327 ( -0.530 -2.464 0.756) 2.632 14.362 ( 0.467 -1.324 0.146) 1.411 14.394 ( 0.758 -2.153 -0.493) 2.335 14.433 ( 1.085 -4.825 -0.244) 4.952 14.810 ( 2.475 2.911 2.469) 4.550 14.908 ( -1.039 1.486 -1.808) 2.560 14.991 ( 1.061 -1.253 -1.040) 1.944 15.018 ( 1.948 -0.652 1.480) 2.532 15.261 ( 4.141 2.038 0.863) 4.696 15.334 ( -4.393 -7.707 5.191) 10.279 15.394 ( -2.164 -4.876 -9.109) 10.556 15.829 ( -3.522 -23.284 2.296) 23.660 18.214 ( -3.120 4.343 -1.775) 5.635 18.229 ( -3.080 1.792 0.252) 3.572 18.355 ( -3.189 -1.591 1.288) 3.789 18.411 ( -3.031 4.194 3.091) 6.027 18.531 ( -2.039 2.362 -0.962) 3.265 18.551 ( 0.928 2.439 -1.644) 3.084 18.596 ( 0.678 3.540 -0.861) 3.706 18.670 ( 4.573 1.524 1.467) 5.038 18.757 ( 0.410 -1.486 0.023) 1.542 18.789 ( 2.692 -0.730 -1.121) 3.006 19.003 ( 1.182 0.361 1.506) 1.949 19.049 ( -0.879 -1.448 -1.764) 2.445 20.961 ( -0.411 3.754 0.481) 3.807 21.081 ( 2.040 -3.778 5.301) 6.822 21.447 ( -1.607 4.326 -3.763) 5.954 21.542 ( -1.304 1.338 -2.175) 2.867 23.112 ( -6.034 -0.529 -1.594) 6.263 23.202 ( -2.420 1.663 2.815) 4.067 23.256 ( -2.985 -2.417 -0.819) 3.927 23.278 ( -2.869 -3.728 0.496) 4.731 23.383 ( 3.499 -2.142 0.946) 4.210 23.425 ( 7.791 0.972 -0.055) 7.852 23.533 ( 5.047 -1.581 -1.139) 5.411 23.675 ( -0.203 -7.477 0.674) 7.510 ======================= Grid point 23 (15/50) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( -3.042 3.182 -0.791) 4.473 1.607 ( -1.789 0.177 3.421) 3.865 1.700 ( 5.377 4.744 -5.848) 9.253 1.794 ( -3.315 -5.081 1.606) 6.276 1.856 ( 0.465 1.076 1.964) 2.287 1.864 ( -2.336 9.645 2.276) 10.182 1.943 ( 0.066 8.340 -3.456) 9.028 2.067 ( -0.775 3.999 2.045) 4.558 2.095 ( -0.832 -2.048 -0.689) 2.315 2.161 ( 2.083 2.096 1.425) 3.281 2.177 ( 0.935 0.016 -0.051) 0.937 2.296 ( -2.216 1.072 6.553) 7.000 2.318 ( -0.280 -5.960 -2.217) 6.365 2.384 ( -1.354 -2.652 -5.659) 6.394 2.426 ( -2.767 0.324 0.646) 2.860 2.464 ( 1.052 2.900 -1.621) 3.485 2.530 ( -2.368 1.655 -1.085) 3.086 2.628 ( -1.313 -1.990 -2.061) 3.151 2.657 ( -2.036 -4.058 1.838) 4.898 2.735 ( -2.681 -2.053 -0.063) 3.377 2.776 ( 5.165 -5.656 1.041) 7.729 2.799 ( 1.693 -11.003 -2.619) 11.437 2.862 ( 1.433 -4.087 -1.582) 4.610 2.893 ( 2.463 3.432 1.316) 4.425 2.943 ( -4.213 0.246 5.049) 6.581 3.003 ( -2.917 -3.704 -1.658) 4.998 3.056 ( 8.477 -8.215 2.620) 12.092 3.105 ( -0.975 -2.226 -0.976) 2.619 3.122 ( -1.964 -1.641 0.459) 2.600 3.160 ( 3.559 -1.868 -3.761) 5.504 3.241 ( -2.594 -5.914 -1.169) 6.563 3.291 ( 2.108 -3.665 -2.913) 5.135 3.317 ( -1.658 -5.155 -0.968) 5.501 3.360 ( -2.395 -2.088 -0.571) 3.228 3.412 ( 1.376 -4.810 -0.592) 5.038 3.465 ( 3.389 -0.921 2.827) 4.508 3.536 ( -1.984 -6.523 3.763) 7.787 3.578 ( -4.187 -4.246 0.654) 5.999 3.612 ( 3.917 -0.403 0.459) 3.964 3.700 ( -2.616 -2.076 -0.625) 3.397 3.709 ( 4.335 6.082 -0.058) 7.469 3.847 ( 3.439 -4.157 0.601) 5.429 3.902 ( 1.731 -1.561 -5.182) 5.682 3.938 ( 2.206 -4.909 4.704) 7.148 4.091 ( 2.846 0.878 1.142) 3.190 4.206 ( 1.970 10.956 -1.714) 11.262 4.254 ( 3.382 2.056 0.780) 4.034 4.341 ( -1.408 6.930 -2.815) 7.611 4.379 ( -7.631 3.127 1.248) 8.341 4.437 ( 4.592 -1.772 -1.429) 5.125 4.450 ( -4.155 2.435 -1.822) 5.149 4.519 ( 1.341 -3.294 -0.881) 3.664 4.605 ( -4.003 5.064 6.753) 9.342 4.644 ( 1.833 -1.415 2.264) 3.238 4.692 ( 1.153 -0.917 0.900) 1.727 4.770 ( 1.892 3.058 -0.974) 3.726 4.817 ( -1.523 -0.099 -0.571) 1.629 4.869 ( -5.129 -1.691 0.572) 5.430 4.926 ( -2.986 0.451 -2.202) 3.737 4.963 ( -0.637 -2.613 -3.345) 4.293 5.033 ( 0.595 2.932 4.937) 5.773 5.068 ( 3.335 -4.243 -3.144) 6.245 5.094 ( -1.098 1.280 -3.080) 3.511 5.202 ( 0.574 0.173 1.576) 1.686 5.252 ( 1.343 2.028 -3.900) 4.597 5.356 ( 1.630 1.666 1.371) 2.705 5.399 ( -4.201 0.060 -3.964) 5.776 5.477 ( -2.898 0.289 -0.545) 2.963 5.545 ( 1.650 -1.626 7.851) 8.186 5.606 ( -1.457 -4.660 -0.691) 4.931 5.638 ( -4.213 -0.378 5.335) 6.809 5.779 ( -3.154 -2.363 0.155) 3.944 5.801 ( -0.885 0.755 2.202) 2.490 5.833 ( -0.017 3.103 0.377) 3.126 5.939 ( 1.572 3.664 -1.323) 4.201 6.014 ( 1.881 -0.294 -2.759) 3.352 6.151 ( 1.631 -4.293 3.523) 5.788 6.191 ( 1.312 -1.759 -5.230) 5.672 6.248 ( -2.400 -3.982 -2.668) 5.360 6.372 ( 4.603 -4.694 4.916) 8.209 6.417 ( 0.472 -0.461 4.259) 4.310 6.489 ( 0.348 1.771 0.114) 1.809 6.556 ( 2.740 0.144 -4.908) 5.623 6.721 ( -0.683 -2.315 -1.362) 2.771 6.848 ( 3.677 2.574 0.540) 4.521 6.932 ( 4.258 -0.527 0.381) 4.307 7.028 ( -1.929 0.019 2.128) 2.872 7.055 ( -0.709 -0.439 -2.378) 2.520 7.396 ( 6.719 3.821 0.674) 7.759 7.419 ( 3.846 6.739 -2.710) 8.219 7.537 ( 2.754 -1.261 -0.268) 3.040 7.629 ( -1.445 -5.226 0.836) 5.486 7.674 ( -2.521 -0.820 1.540) 3.066 7.724 ( -1.244 2.538 -1.855) 3.381 7.770 ( -2.703 0.667 -2.588) 3.801 7.901 ( -2.614 -3.281 -0.934) 4.298 8.037 ( -1.697 -5.148 -2.063) 5.800 8.074 ( -3.096 0.311 1.668) 3.530 8.184 ( 1.153 -1.713 -0.313) 2.088 8.266 ( 1.657 1.273 0.939) 2.291 8.348 ( -4.670 3.974 4.060) 7.355 8.446 ( -0.538 1.629 -1.997) 2.632 8.601 ( -1.607 -3.606 0.749) 4.019 8.784 ( 4.094 -1.626 3.265) 5.483 8.933 ( -0.193 7.261 -3.784) 8.190 9.108 ( -5.385 -1.604 -0.216) 5.623 9.201 ( 7.099 5.496 0.957) 9.029 9.373 ( 0.237 1.627 4.695) 4.974 9.495 ( 3.457 15.059 -3.729) 15.894 9.669 ( -0.026 15.686 -1.767) 15.785 9.759 ( -0.731 10.006 2.565) 10.355 9.822 ( -1.057 14.000 0.975) 14.074 9.996 ( 1.930 0.549 1.967) 2.809 10.048 ( 3.983 5.468 -2.003) 7.055 10.148 ( 5.280 3.844 -3.422) 7.373 10.279 ( -5.221 5.085 -3.110) 7.924 10.312 ( -8.196 -1.801 6.302) 10.495 10.465 ( -2.949 1.605 0.370) 3.378 10.613 ( 0.794 5.849 -1.179) 6.019 10.763 ( -3.359 -1.601 0.506) 3.755 10.806 ( -1.738 1.850 1.073) 2.755 10.838 ( 6.061 -3.838 -0.262) 7.179 10.980 ( 0.776 0.359 -2.988) 3.108 11.024 ( 1.662 -6.449 2.340) 7.059 11.078 ( 2.196 -2.693 -3.204) 4.726 11.329 ( 4.748 -3.349 4.662) 7.449 11.496 ( 3.113 -1.518 -4.257) 5.488 11.536 ( 2.841 -6.761 0.588) 7.357 11.574 ( -0.285 -8.211 0.009) 8.216 11.771 ( -6.092 -10.401 1.053) 12.100 11.842 ( 1.308 -9.561 -0.826) 9.685 11.991 ( -3.528 -8.173 -1.371) 9.007 12.658 ( 3.003 5.621 3.179) 7.122 12.792 ( -3.051 3.910 -0.777) 5.020 12.802 ( -2.595 2.254 4.237) 5.456 12.908 ( -1.878 3.725 -5.163) 6.637 12.972 ( -0.061 0.845 2.554) 2.691 13.060 ( -1.191 0.616 0.344) 1.385 13.090 ( -1.876 1.978 -1.801) 3.267 13.153 ( -1.444 0.580 0.151) 1.563 13.357 ( 2.813 7.583 -1.355) 8.201 13.362 ( 1.750 7.072 -1.617) 7.462 13.397 ( 0.738 5.733 -1.601) 5.998 13.448 ( 1.966 5.169 0.640) 5.567 14.334 ( 0.501 -2.561 -0.036) 2.610 14.359 ( -0.197 -1.664 0.169) 1.684 14.396 ( -0.048 -2.620 -0.592) 2.687 14.456 ( 1.175 -7.967 0.224) 8.057 14.856 ( 0.723 1.022 -0.201) 1.268 14.900 ( 1.233 -0.371 0.360) 1.337 14.983 ( -0.607 -3.373 -1.269) 3.655 15.037 ( -1.405 -3.099 -0.529) 3.444 15.260 ( -0.789 -2.752 -1.098) 3.066 15.349 ( 0.651 0.032 0.721) 0.972 15.398 ( 8.432 -0.489 1.036) 8.509 15.759 ( -8.786 -15.440 2.919) 18.003 18.147 ( -1.726 5.222 -1.620) 5.734 18.205 ( -0.129 0.470 0.751) 0.896 18.311 ( -4.264 -2.189 1.223) 4.947 18.406 ( -2.713 4.477 4.945) 7.201 18.486 ( -1.839 0.435 -0.521) 1.960 18.523 ( 0.662 3.545 -5.834) 6.859 18.587 ( -0.888 0.845 0.260) 1.253 18.749 ( 2.172 1.745 1.394) 3.116 18.772 ( 2.238 -0.495 -0.751) 2.412 18.829 ( 2.254 0.919 0.194) 2.442 19.006 ( -0.988 -1.612 -1.288) 2.288 19.051 ( 1.380 -0.928 1.208) 2.055 20.973 ( 0.180 1.926 2.034) 2.807 21.149 ( -0.519 -3.847 2.337) 4.531 21.386 ( -1.040 5.158 -1.207) 5.399 21.488 ( -0.399 1.389 -3.950) 4.206 23.010 ( -3.888 -0.792 -1.426) 4.217 23.182 ( -3.538 -3.633 1.113) 5.192 23.215 ( 0.872 -0.188 -1.438) 1.692 23.240 ( -3.475 -3.710 2.748) 5.779 23.462 ( 4.229 -1.409 1.162) 4.606 23.549 ( 6.640 0.207 -0.567) 6.667 23.571 ( 1.485 -0.838 -2.023) 2.646 23.678 ( -0.960 -5.340 1.228) 5.563 ======================= Grid point 24 (16/50) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.546 ( 0.000 -1.234 0.000) 1.234 1.579 ( -0.000 -6.306 0.000) 6.306 1.713 ( 0.000 -0.200 0.000) 0.200 1.765 ( 0.000 -0.126 0.000) 0.126 1.877 ( 0.000 4.366 0.000) 4.366 1.900 ( 0.000 10.332 -0.000) 10.332 1.908 ( -0.000 11.328 0.000) 11.328 2.076 ( -0.000 3.380 0.000) 3.380 2.087 ( 0.000 -3.365 0.000) 3.365 2.144 ( 0.000 3.973 0.000) 3.973 2.232 ( -0.000 0.702 0.000) 0.702 2.274 ( 0.000 -7.762 -0.000) 7.762 2.318 ( -0.000 -2.845 0.000) 2.845 2.325 ( 0.000 -1.014 -0.000) 1.014 2.390 ( -0.000 6.957 0.000) 6.957 2.478 ( 0.000 2.604 0.000) 2.604 2.499 ( 0.000 -1.252 0.000) 1.252 2.619 ( 0.000 0.708 0.000) 0.708 2.637 ( 0.000 -1.695 -0.000) 1.695 2.701 ( 0.000 -9.504 0.000) 9.504 2.820 ( 0.000 -6.459 0.000) 6.459 2.827 ( -0.000 -11.026 0.000) 11.026 2.885 ( -0.000 -5.475 0.000) 5.475 2.908 ( 0.000 3.080 0.000) 3.080 2.932 ( 0.000 -0.393 0.000) 0.393 2.956 ( 0.000 -1.065 -0.000) 1.065 3.057 ( 0.000 -0.695 0.000) 0.695 3.126 ( 0.000 -0.062 -0.000) 0.062 3.139 ( 0.000 -0.624 0.000) 0.624 3.188 ( 0.000 -8.508 0.000) 8.508 3.245 ( -0.000 -9.504 -0.000) 9.504 3.270 ( 0.000 -8.875 0.000) 8.875 3.337 ( -0.000 -5.383 -0.000) 5.383 3.340 ( 0.000 -2.881 0.000) 2.881 3.428 ( 0.000 -1.922 0.000) 1.922 3.467 ( 0.000 -0.218 0.000) 0.218 3.539 ( 0.000 -0.459 -0.000) 0.459 3.543 ( -0.000 -11.775 0.000) 11.775 3.642 ( -0.000 -1.661 0.000) 1.661 3.682 ( 0.000 -3.896 -0.000) 3.896 3.826 ( 0.000 0.544 0.000) 0.544 3.864 ( 0.000 3.945 0.000) 3.945 3.887 ( 0.000 5.162 0.000) 5.162 3.993 ( 0.000 -2.997 0.000) 2.997 4.106 ( 0.000 10.745 0.000) 10.745 4.174 ( 0.000 -4.058 -0.000) 4.058 4.201 ( 0.000 2.084 0.000) 2.084 4.305 ( 0.000 6.523 0.000) 6.523 4.321 ( 0.000 9.469 -0.000) 9.469 4.394 ( 0.000 -3.432 0.000) 3.432 4.516 ( 0.000 5.305 0.000) 5.305 4.607 ( 0.000 4.208 0.000) 4.208 4.628 ( 0.000 6.358 0.000) 6.358 4.662 ( 0.000 6.900 0.000) 6.900 4.676 ( 0.000 -3.776 -0.000) 3.776 4.796 ( -0.000 -3.958 0.000) 3.958 4.803 ( 0.000 -0.478 -0.000) 0.478 4.854 ( -0.000 -4.299 -0.000) 4.299 4.862 ( 0.000 2.635 0.000) 2.635 4.895 ( 0.000 -8.171 -0.000) 8.171 5.033 ( 0.000 -2.132 0.000) 2.132 5.095 ( 0.000 -4.615 0.000) 4.615 5.162 ( 0.000 2.841 0.000) 2.841 5.236 ( 0.000 2.312 0.000) 2.312 5.241 ( -0.000 -0.046 -0.000) 0.046 5.293 ( 0.000 1.846 0.000) 1.846 5.302 ( -0.000 1.976 -0.000) 1.976 5.469 ( 0.000 0.044 0.000) 0.044 5.567 ( 0.000 -5.713 -0.000) 5.713 5.651 ( -0.000 -2.889 -0.000) 2.889 5.653 ( 0.000 -0.848 0.000) 0.848 5.744 ( 0.000 1.082 0.000) 1.082 5.816 ( 0.000 3.221 0.000) 3.221 5.835 ( 0.000 -0.146 0.000) 0.146 5.957 ( -0.000 -6.707 -0.000) 6.707 6.017 ( 0.000 4.326 0.000) 4.326 6.038 ( -0.000 4.113 -0.000) 4.113 6.214 ( 0.000 -3.921 0.000) 3.921 6.267 ( 0.000 -2.515 0.000) 2.515 6.440 ( 0.000 -3.207 0.000) 3.207 6.462 ( 0.000 -2.230 0.000) 2.230 6.522 ( -0.000 0.266 0.000) 0.266 6.526 ( 0.000 -0.647 -0.000) 0.647 6.695 ( 0.000 -1.464 -0.000) 1.464 6.884 ( 0.000 3.665 0.000) 3.665 6.986 ( 0.000 -4.591 -0.000) 4.591 7.004 ( -0.000 2.201 0.000) 2.201 7.041 ( 0.000 1.081 0.000) 1.081 7.445 ( 0.000 6.424 0.000) 6.424 7.487 ( 0.000 3.188 -0.000) 3.188 7.530 ( -0.000 -4.698 0.000) 4.698 7.609 ( -0.000 0.855 0.000) 0.855 7.649 ( 0.000 -1.039 -0.000) 1.039 7.713 ( 0.000 -1.262 0.000) 1.262 7.733 ( 0.000 -2.838 -0.000) 2.838 7.879 ( 0.000 -3.055 0.000) 3.055 8.023 ( 0.000 -7.430 -0.000) 7.430 8.056 ( 0.000 2.807 0.000) 2.807 8.187 ( 0.000 -0.900 0.000) 0.900 8.246 ( -0.000 -0.135 0.000) 0.135 8.366 ( 0.000 2.001 0.000) 2.001 8.429 ( 0.000 -1.977 0.000) 1.977 8.590 ( 0.000 -2.048 0.000) 2.048 8.851 ( 0.000 1.035 0.000) 1.035 8.909 ( 0.000 3.610 0.000) 3.610 9.036 ( 0.000 -1.211 0.000) 1.211 9.302 ( 0.000 4.068 0.000) 4.068 9.369 ( 0.000 4.547 0.000) 4.547 9.513 ( 0.000 19.445 0.000) 19.445 9.659 ( -0.000 10.761 0.000) 10.761 9.785 ( 0.000 6.144 0.000) 6.144 9.802 ( 0.000 21.355 0.000) 21.355 10.025 ( 0.000 5.810 0.000) 5.810 10.094 ( -0.000 7.916 -0.000) 7.916 10.193 ( 0.000 -10.660 0.000) 10.660 10.208 ( -0.000 4.034 0.000) 4.034 10.259 ( 0.000 6.492 -0.000) 6.492 10.421 ( 0.000 5.243 0.000) 5.243 10.614 ( 0.000 -0.368 0.000) 0.368 10.731 ( 0.000 0.691 0.000) 0.691 10.811 ( 0.000 3.965 0.000) 3.965 10.917 ( -0.000 1.139 -0.000) 1.139 10.921 ( 0.000 3.297 0.000) 3.297 11.059 ( 0.000 -5.899 0.000) 5.899 11.084 ( -0.000 -3.701 0.000) 3.701 11.438 ( 0.000 -8.305 0.000) 8.305 11.464 ( 0.000 -6.880 0.000) 6.880 11.499 ( 0.000 -6.090 0.000) 6.090 11.668 ( 0.000 -13.018 0.000) 13.018 11.717 ( 0.000 -6.329 0.000) 6.329 11.825 ( 0.000 -6.897 -0.000) 6.897 11.948 ( 0.000 -5.900 0.000) 5.900 12.718 ( 0.000 6.468 0.000) 6.468 12.745 ( 0.000 4.512 0.000) 4.512 12.816 ( -0.000 1.083 0.000) 1.083 12.849 ( 0.000 2.907 0.000) 2.907 12.992 ( 0.000 0.661 -0.000) 0.661 13.039 ( 0.000 -1.754 0.000) 1.754 13.080 ( 0.000 2.750 0.000) 2.750 13.134 ( 0.000 0.928 0.000) 0.928 13.362 ( 0.000 7.902 0.000) 7.902 13.381 ( -0.000 6.201 0.000) 6.201 13.389 ( 0.000 7.566 0.000) 7.566 13.470 ( 0.000 4.902 0.000) 4.902 14.334 ( 0.000 -1.740 0.000) 1.740 14.372 ( 0.000 -2.550 0.000) 2.550 14.382 ( -0.000 -3.668 -0.000) 3.668 14.467 ( 0.000 -8.314 0.000) 8.314 14.858 ( 0.000 -0.405 0.000) 0.405 14.920 ( 0.000 -0.782 -0.000) 0.782 14.958 ( 0.000 -3.217 0.000) 3.217 15.011 ( 0.000 -4.531 0.000) 4.531 15.265 ( 0.000 -0.551 0.000) 0.551 15.355 ( 0.000 -0.327 0.000) 0.327 15.552 ( 0.000 -4.926 0.000) 4.926 15.634 ( -0.000 -6.623 0.000) 6.623 18.124 ( 0.000 4.613 0.000) 4.613 18.239 ( 0.000 -1.246 0.000) 1.246 18.250 ( -0.000 -0.805 0.000) 0.805 18.422 ( 0.000 2.152 -0.000) 2.152 18.467 ( 0.000 1.024 0.000) 1.024 18.480 ( 0.000 6.184 0.000) 6.184 18.579 ( 0.000 -1.060 0.000) 1.060 18.773 ( 0.000 1.844 0.000) 1.844 18.792 ( 0.000 0.416 0.000) 0.416 18.852 ( 0.000 0.707 0.000) 0.707 18.988 ( 0.000 -2.014 0.000) 2.014 19.072 ( 0.000 -1.439 0.000) 1.439 20.996 ( 0.000 0.284 -0.000) 0.284 21.136 ( 0.000 -0.735 0.000) 0.735 21.384 ( 0.000 4.708 0.000) 4.708 21.458 ( 0.000 0.072 0.000) 0.072 22.967 ( 0.000 -0.334 0.000) 0.334 23.154 ( 0.000 -4.326 0.000) 4.326 23.213 ( 0.000 -3.771 0.000) 3.771 23.231 ( 0.000 -1.211 -0.000) 1.211 23.534 ( 0.000 -0.803 0.000) 0.803 23.541 ( 0.000 -0.296 0.000) 0.296 23.609 ( 0.000 -1.223 0.000) 1.223 23.672 ( 0.000 -3.676 0.000) 3.676 ======================= Grid point 28 (17/50) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.705 ( 0.000 2.287 0.000) 2.287 1.779 ( 0.000 4.492 0.000) 4.492 1.796 ( 0.000 -1.289 0.000) 1.289 1.806 ( 0.000 -1.118 0.000) 1.118 1.823 ( 0.000 0.635 0.000) 0.635 1.968 ( 0.000 -7.039 0.000) 7.039 2.051 ( 0.000 11.743 0.000) 11.743 2.092 ( 0.000 13.346 0.000) 13.346 2.128 ( 0.000 3.133 0.000) 3.133 2.170 ( 0.000 3.218 0.000) 3.218 2.252 ( 0.000 6.878 0.000) 6.878 2.255 ( 0.000 -5.159 0.000) 5.159 2.300 ( 0.000 6.934 0.000) 6.934 2.305 ( 0.000 -8.672 0.000) 8.672 2.417 ( 0.000 -10.633 0.000) 10.633 2.481 ( 0.000 4.057 0.000) 4.057 2.499 ( 0.000 -8.417 0.000) 8.417 2.614 ( 0.000 -6.900 0.000) 6.900 2.659 ( 0.000 -4.492 0.000) 4.492 2.673 ( 0.000 -5.317 0.000) 5.317 2.719 ( 0.000 3.342 0.000) 3.342 2.720 ( 0.000 1.529 0.000) 1.529 2.807 ( 0.000 -5.213 0.000) 5.213 2.808 ( 0.000 -0.639 0.000) 0.639 2.848 ( 0.000 -4.393 0.000) 4.393 2.862 ( 0.000 -6.221 0.000) 6.221 2.982 ( 0.000 4.027 0.000) 4.027 3.024 ( 0.000 -1.299 0.000) 1.299 3.074 ( 0.000 0.767 0.000) 0.767 3.153 ( 0.000 1.585 0.000) 1.585 3.196 ( 0.000 -5.971 0.000) 5.971 3.217 ( 0.000 -0.369 0.000) 0.369 3.304 ( 0.000 -2.574 0.000) 2.574 3.318 ( 0.000 -6.723 0.000) 6.723 3.410 ( 0.000 1.378 0.000) 1.378 3.431 ( 0.000 -0.820 0.000) 0.820 3.482 ( 0.000 -3.212 0.000) 3.212 3.511 ( 0.000 -1.670 0.000) 1.670 3.587 ( 0.000 -0.054 0.000) 0.054 3.671 ( 0.000 -5.278 0.000) 5.278 3.756 ( 0.000 9.217 0.000) 9.217 3.795 ( 0.000 -0.154 0.000) 0.154 3.910 ( 0.000 -3.949 0.000) 3.949 4.025 ( 0.000 16.297 0.000) 16.297 4.053 ( 0.000 -11.974 0.000) 11.974 4.073 ( 0.000 10.827 0.000) 10.827 4.181 ( 0.000 -1.760 0.000) 1.760 4.236 ( 0.000 1.668 0.000) 1.668 4.386 ( 0.000 -5.340 0.000) 5.340 4.403 ( 0.000 0.909 0.000) 0.909 4.549 ( 0.000 8.729 0.000) 8.729 4.553 ( 0.000 3.069 0.000) 3.069 4.656 ( 0.000 -4.082 0.000) 4.082 4.658 ( 0.000 1.734 0.000) 1.734 4.793 ( 0.000 -0.148 0.000) 0.148 4.816 ( 0.000 0.602 0.000) 0.602 4.864 ( 0.000 -1.996 0.000) 1.996 4.865 ( 0.000 -2.610 0.000) 2.610 4.931 ( 0.000 2.426 0.000) 2.426 5.017 ( 0.000 -5.548 0.000) 5.548 5.078 ( 0.000 0.281 0.000) 0.281 5.110 ( 0.000 -2.137 0.000) 2.137 5.177 ( 0.000 1.116 0.000) 1.116 5.213 ( 0.000 -2.381 0.000) 2.381 5.248 ( 0.000 1.490 0.000) 1.490 5.323 ( 0.000 -6.448 0.000) 6.448 5.335 ( 0.000 0.317 0.000) 0.317 5.355 ( 0.000 -2.231 0.000) 2.231 5.457 ( 0.000 3.875 0.000) 3.875 5.533 ( 0.000 -3.794 0.000) 3.794 5.758 ( 0.000 2.020 0.000) 2.020 5.811 ( 0.000 -3.596 0.000) 3.596 5.846 ( 0.000 3.946 0.000) 3.946 5.853 ( 0.000 4.351 0.000) 4.351 6.009 ( 0.000 4.595 0.000) 4.595 6.013 ( 0.000 2.757 0.000) 2.757 6.075 ( 0.000 -0.270 0.000) 0.270 6.099 ( 0.000 -5.197 0.000) 5.197 6.247 ( 0.000 1.648 0.000) 1.648 6.316 ( 0.000 -3.175 0.000) 3.175 6.428 ( 0.000 3.719 0.000) 3.719 6.463 ( 0.000 -0.698 0.000) 0.698 6.606 ( 0.000 -0.172 0.000) 0.172 6.631 ( 0.000 -2.910 0.000) 2.910 6.744 ( 0.000 0.600 0.000) 0.600 6.772 ( 0.000 -1.910 0.000) 1.910 7.059 ( 0.000 3.662 0.000) 3.662 7.125 ( 0.000 -3.508 0.000) 3.508 7.324 ( 0.000 0.036 0.000) 0.036 7.333 ( 0.000 -1.458 0.000) 1.458 7.604 ( 0.000 10.218 0.000) 10.218 7.731 ( 0.000 3.132 0.000) 3.132 7.768 ( 0.000 -4.599 0.000) 4.599 7.837 ( 0.000 9.882 0.000) 9.882 7.846 ( 0.000 -7.683 0.000) 7.683 7.972 ( 0.000 2.243 0.000) 2.243 8.049 ( 0.000 -4.670 0.000) 4.670 8.059 ( 0.000 -0.933 0.000) 0.933 8.125 ( 0.000 2.755 0.000) 2.755 8.222 ( 0.000 -5.856 0.000) 5.856 8.447 ( 0.000 0.904 0.000) 0.904 8.460 ( 0.000 -0.942 0.000) 0.942 8.766 ( 0.000 6.003 0.000) 6.003 8.841 ( 0.000 -0.828 0.000) 0.828 8.960 ( 0.000 9.019 0.000) 9.019 9.123 ( 0.000 -6.861 0.000) 6.861 9.148 ( 0.000 5.693 0.000) 5.693 9.247 ( 0.000 -4.636 0.000) 4.636 9.575 ( 0.000 -1.497 0.000) 1.497 9.612 ( 0.000 -4.887 0.000) 4.887 9.736 ( 0.000 9.464 0.000) 9.464 9.908 ( 0.000 -7.493 0.000) 7.493 10.160 ( 0.000 4.552 0.000) 4.552 10.234 ( 0.000 6.885 0.000) 6.885 10.271 ( 0.000 -7.194 0.000) 7.194 10.305 ( 0.000 -2.382 0.000) 2.382 10.332 ( 0.000 18.170 0.000) 18.170 10.597 ( 0.000 11.767 0.000) 11.767 10.616 ( 0.000 -11.295 0.000) 11.295 10.642 ( 0.000 4.675 0.000) 4.675 10.723 ( 0.000 -5.137 0.000) 5.137 10.817 ( 0.000 -10.176 0.000) 10.176 10.956 ( 0.000 8.194 0.000) 8.194 11.049 ( 0.000 -2.469 0.000) 2.469 11.156 ( 0.000 12.817 0.000) 12.817 11.252 ( 0.000 14.928 0.000) 14.928 11.366 ( 0.000 -5.172 0.000) 5.172 11.497 ( 0.000 0.348 0.000) 0.348 11.555 ( 0.000 -14.079 0.000) 14.079 11.607 ( 0.000 -13.631 0.000) 13.631 11.679 ( 0.000 3.928 0.000) 3.928 11.839 ( 0.000 -11.612 0.000) 11.612 12.645 ( 0.000 6.253 0.000) 6.253 12.756 ( 0.000 -4.556 0.000) 4.556 12.957 ( 0.000 1.777 0.000) 1.777 12.966 ( 0.000 0.756 0.000) 0.756 13.079 ( 0.000 2.500 0.000) 2.500 13.133 ( 0.000 -3.088 0.000) 3.088 13.217 ( 0.000 2.111 0.000) 2.111 13.232 ( 0.000 0.424 0.000) 0.424 13.357 ( 0.000 3.871 0.000) 3.871 13.387 ( 0.000 0.829 0.000) 0.829 13.450 ( 0.000 3.216 0.000) 3.216 13.472 ( 0.000 1.019 0.000) 1.019 14.309 ( 0.000 -0.225 0.000) 0.225 14.320 ( 0.000 -1.054 0.000) 1.054 14.366 ( 0.000 -0.153 0.000) 0.153 14.386 ( 0.000 -1.941 0.000) 1.941 14.843 ( 0.000 3.670 0.000) 3.670 14.906 ( 0.000 -2.980 0.000) 2.980 15.025 ( 0.000 3.596 0.000) 3.596 15.046 ( 0.000 3.108 0.000) 3.108 15.245 ( 0.000 -1.573 0.000) 1.573 15.246 ( 0.000 -3.428 0.000) 3.428 15.332 ( 0.000 -0.584 0.000) 0.584 15.473 ( 0.000 -13.053 0.000) 13.053 18.269 ( 0.000 1.146 0.000) 1.146 18.289 ( 0.000 -0.692 0.000) 0.692 18.425 ( 0.000 2.762 0.000) 2.762 18.454 ( 0.000 0.308 0.000) 0.308 18.602 ( 0.000 1.298 0.000) 1.298 18.605 ( 0.000 0.959 0.000) 0.959 18.638 ( 0.000 1.424 0.000) 1.424 18.642 ( 0.000 0.633 0.000) 0.633 18.735 ( 0.000 -0.094 0.000) 0.094 18.738 ( 0.000 -0.635 0.000) 0.635 19.003 ( 0.000 1.246 0.000) 1.246 19.034 ( 0.000 -1.949 0.000) 1.949 20.990 ( 0.000 -0.273 0.000) 0.273 20.997 ( 0.000 -0.446 0.000) 0.446 21.546 ( 0.000 2.651 0.000) 2.651 21.577 ( 0.000 -0.431 0.000) 0.431 23.234 ( 0.000 0.094 0.000) 0.094 23.238 ( 0.000 0.912 0.000) 0.912 23.249 ( 0.000 -0.611 0.000) 0.611 23.260 ( 0.000 -1.561 0.000) 1.561 23.361 ( 0.000 4.371 0.000) 4.371 23.363 ( 0.000 2.705 0.000) 2.705 23.422 ( 0.000 -3.135 0.000) 3.135 23.502 ( 0.000 -8.837 0.000) 8.837 ======================= Grid point 29 (18/50) ======================= q-point: ( 0.17 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.601 ( -9.672 -0.517 2.478) 9.998 1.650 ( -10.365 -4.413 1.892) 11.423 1.795 ( -1.496 -0.080 -1.625) 2.210 1.818 ( -2.825 -1.037 0.004) 3.009 1.907 ( 7.280 7.018 0.188) 10.114 2.020 ( 0.860 -0.301 1.633) 1.870 2.053 ( 4.151 9.186 -2.987) 10.514 2.069 ( -3.532 5.199 2.285) 6.688 2.123 ( -4.054 0.078 0.287) 4.065 2.160 ( 3.141 4.356 -1.913) 5.701 2.203 ( 0.290 4.952 -3.049) 5.823 2.231 ( 3.618 0.546 0.354) 3.676 2.315 ( 2.713 -6.517 -1.815) 7.288 2.393 ( -4.982 -5.562 -1.124) 7.551 2.438 ( 3.226 0.801 1.260) 3.555 2.485 ( 0.289 2.860 0.477) 2.914 2.531 ( 6.733 -4.132 0.550) 7.918 2.595 ( -5.198 -4.208 -0.149) 6.689 2.607 ( -1.285 -2.353 -1.988) 3.338 2.644 ( -2.251 -7.152 1.937) 7.744 2.719 ( 0.562 1.864 1.900) 2.720 2.768 ( -2.474 0.098 3.076) 3.948 2.787 ( 4.507 -0.323 5.574) 7.175 2.844 ( 0.818 0.307 1.613) 1.834 2.906 ( 1.190 -3.823 1.606) 4.314 2.921 ( 0.576 -4.154 1.086) 4.332 2.939 ( -1.576 1.486 -2.524) 3.326 3.014 ( -1.909 -1.215 0.739) 2.381 3.095 ( -0.039 -0.979 2.614) 2.792 3.149 ( -2.076 -6.244 -0.492) 6.599 3.207 ( -0.148 1.706 -1.135) 2.055 3.234 ( 1.016 0.094 -1.782) 2.053 3.252 ( 0.795 -2.849 1.660) 3.391 3.282 ( -2.646 -6.510 -4.238) 8.206 3.387 ( -2.925 -2.957 2.078) 4.650 3.417 ( 0.501 -0.820 -4.953) 5.045 3.433 ( -5.471 -5.777 2.125) 8.235 3.471 ( 3.382 -4.312 -2.051) 5.851 3.566 ( -0.493 3.400 -1.083) 3.602 3.676 ( 4.436 -5.716 -4.856) 8.714 3.730 ( 0.726 4.496 -0.467) 4.578 3.839 ( -2.996 -5.788 -4.821) 8.107 3.941 ( 2.642 8.372 1.382) 8.887 3.992 ( 2.662 10.628 -4.050) 11.681 4.077 ( 6.234 6.651 1.867) 9.305 4.209 ( 4.996 -3.855 0.830) 6.364 4.224 ( 5.168 2.798 4.083) 7.157 4.306 ( 3.407 -3.264 4.447) 6.483 4.376 ( 4.028 -1.645 -3.187) 5.393 4.431 ( 3.683 -0.635 -0.259) 3.747 4.504 ( -2.726 5.770 -1.251) 6.503 4.539 ( -2.851 4.470 1.751) 5.583 4.624 ( -5.058 1.382 3.431) 6.266 4.652 ( -4.159 -5.972 0.342) 7.285 4.752 ( -1.562 1.500 -2.826) 3.561 4.796 ( 1.936 -2.133 -3.420) 4.471 4.828 ( -2.065 -1.865 -4.248) 5.078 4.881 ( -2.508 -3.147 -2.784) 4.894 4.950 ( 3.087 4.513 1.324) 5.626 5.001 ( 3.179 0.045 -2.099) 3.809 5.075 ( -0.793 1.514 0.706) 1.849 5.093 ( -1.772 -0.479 -0.307) 1.861 5.168 ( -1.142 2.106 -1.708) 2.942 5.234 ( -1.303 -3.641 -1.296) 4.079 5.308 ( -0.644 3.629 6.372) 7.361 5.325 ( 4.163 2.878 2.426) 5.612 5.377 ( 0.221 -2.959 3.477) 4.571 5.408 ( 4.050 -2.344 1.081) 4.803 5.482 ( -0.613 -4.655 6.655) 8.145 5.505 ( -2.472 -3.704 0.429) 4.474 5.688 ( -6.443 2.303 -0.752) 6.883 5.764 ( -5.779 -4.348 0.835) 7.280 5.833 ( 1.099 3.677 0.054) 3.838 5.900 ( 0.217 -2.022 0.553) 2.107 5.938 ( -3.134 6.190 -0.384) 6.948 6.014 ( 0.893 0.839 -2.502) 2.786 6.051 ( -0.323 -2.198 -0.226) 2.233 6.076 ( -1.088 -2.999 -1.112) 3.379 6.280 ( 2.279 1.759 1.036) 3.060 6.316 ( 0.137 -1.472 -0.107) 1.482 6.429 ( 0.530 3.059 0.033) 3.105 6.492 ( 0.044 -3.221 -1.134) 3.415 6.589 ( 1.786 3.947 -2.956) 5.245 6.663 ( 1.446 -3.215 0.539) 3.567 6.788 ( 4.811 1.619 1.653) 5.338 6.829 ( 3.908 -1.939 4.065) 5.963 7.043 ( -0.582 1.868 -1.660) 2.566 7.081 ( -1.850 -2.299 -3.205) 4.357 7.392 ( 3.794 1.205 5.149) 6.509 7.415 ( 5.486 -1.876 3.389) 6.716 7.549 ( -3.759 7.805 -3.669) 9.408 7.640 ( -4.400 0.800 -6.420) 7.824 7.715 ( -2.783 1.527 -1.076) 3.352 7.767 ( -2.497 -2.868 0.106) 3.804 7.881 ( -2.490 -2.005 -1.531) 3.545 7.942 ( -2.488 1.626 -2.233) 3.718 8.009 ( -3.155 -2.709 1.338) 4.369 8.079 ( -2.230 -2.347 2.070) 3.842 8.159 ( 3.373 3.549 0.005) 4.896 8.227 ( 1.236 -3.403 -1.091) 3.781 8.451 ( -1.011 2.891 3.230) 4.451 8.504 ( 1.419 -3.065 3.471) 4.843 8.624 ( -8.398 5.448 -2.664) 10.359 8.721 ( -7.069 -3.799 -2.188) 8.318 9.072 ( 2.741 7.872 1.662) 8.500 9.157 ( 3.926 3.290 -1.673) 5.389 9.188 ( -2.204 -2.578 -2.984) 4.517 9.231 ( 5.151 -4.584 5.512) 8.828 9.697 ( 6.871 4.925 0.287) 8.459 9.709 ( 10.355 -0.292 3.901) 11.069 9.753 ( 3.741 4.192 0.394) 5.632 9.893 ( 0.814 -5.044 -3.176) 6.016 10.106 ( -4.243 6.266 -1.818) 7.783 10.205 ( -2.293 3.959 -1.141) 4.715 10.267 ( -1.048 -2.418 0.836) 2.764 10.296 ( 1.827 1.705 -2.268) 3.375 10.374 ( 1.196 6.570 1.078) 6.765 10.561 ( -0.428 3.598 -2.946) 4.670 10.608 ( 0.155 -2.633 -0.607) 2.706 10.677 ( -1.643 2.526 5.066) 5.894 10.738 ( 1.846 -3.903 0.044) 4.318 10.800 ( -2.340 -7.217 1.703) 7.776 10.988 ( 1.029 5.813 1.717) 6.148 11.047 ( 0.505 -0.181 -0.778) 0.945 11.159 ( 1.428 12.522 -1.441) 12.686 11.283 ( 4.358 12.081 -0.256) 12.845 11.385 ( 1.632 -5.062 -0.062) 5.318 11.466 ( -2.498 -2.828 -0.652) 3.829 11.534 ( -3.283 -7.701 -2.086) 8.627 11.585 ( 0.989 -14.176 -0.231) 14.212 11.702 ( 0.343 1.165 1.014) 1.582 11.830 ( -0.173 -10.345 -0.824) 10.379 12.677 ( 1.293 5.169 3.136) 6.183 12.764 ( -0.678 -3.490 2.349) 4.261 12.932 ( -3.825 2.764 2.344) 5.269 12.964 ( -1.422 -0.387 1.358) 2.004 13.048 ( -1.159 2.345 -3.815) 4.625 13.096 ( -2.062 -2.512 -3.031) 4.444 13.179 ( -3.175 1.666 0.732) 3.660 13.192 ( -3.138 0.481 -0.175) 3.180 13.409 ( 4.806 3.551 -0.851) 6.036 13.433 ( 4.413 1.084 -0.874) 4.628 13.455 ( 1.270 3.313 -0.888) 3.657 13.479 ( 1.119 0.953 -0.407) 1.525 14.300 ( -0.908 0.021 0.335) 0.968 14.327 ( 0.384 -2.291 0.426) 2.362 14.366 ( -0.531 -0.723 0.200) 0.919 14.370 ( -1.132 -1.379 -0.353) 1.819 14.868 ( 0.628 2.759 2.458) 3.748 14.905 ( -0.545 -1.060 0.075) 1.195 14.980 ( -2.388 1.006 -1.746) 3.125 15.024 ( -3.629 -1.839 0.629) 4.117 15.248 ( 2.121 1.260 0.028) 2.467 15.299 ( 4.801 -0.096 -1.068) 4.919 15.343 ( 2.630 0.783 -1.506) 3.130 15.485 ( 0.722 -12.644 0.948) 12.700 18.249 ( -2.157 1.367 0.108) 2.556 18.271 ( -1.627 -0.274 -0.713) 1.797 18.367 ( -4.977 3.533 0.082) 6.103 18.436 ( -2.689 -2.108 0.793) 3.507 18.560 ( -4.965 1.640 1.098) 5.343 18.584 ( -2.783 -0.091 1.719) 3.272 18.653 ( 1.986 2.523 -1.531) 3.557 18.685 ( 3.976 -0.360 0.031) 3.992 18.754 ( 2.552 1.261 -0.790) 2.954 18.781 ( 4.112 -0.775 -0.530) 4.218 19.011 ( 0.694 0.423 0.165) 0.829 19.023 ( -0.325 -0.998 -1.294) 1.666 20.995 ( -0.594 0.868 1.600) 1.915 21.021 ( 0.431 -2.211 3.495) 4.158 21.521 ( -1.168 2.990 -2.402) 4.009 21.554 ( -1.142 -0.389 -2.134) 2.451 23.122 ( -7.348 1.770 0.036) 7.558 23.179 ( -7.142 -3.654 2.131) 8.301 23.234 ( -1.787 -0.289 -1.296) 2.226 23.239 ( -1.162 -0.397 -1.028) 1.602 23.397 ( 3.112 4.290 1.687) 5.562 23.455 ( 7.985 1.977 -0.949) 8.280 23.496 ( 6.457 -2.204 -1.450) 6.975 23.524 ( 1.404 -7.736 1.655) 8.035 ======================= Grid point 30 (19/50) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -7.829 -3.739 2.503) 9.030 1.510 ( -9.453 -6.557 2.662) 11.809 1.741 ( -2.571 0.137 -0.748) 2.681 1.755 ( -1.865 -0.944 -1.502) 2.574 1.950 ( 0.061 6.567 0.018) 6.567 2.003 ( -0.649 2.754 0.901) 2.969 2.045 ( -0.933 1.175 -0.353) 1.541 2.112 ( 1.040 -0.989 -1.065) 1.787 2.160 ( 6.114 3.887 -1.110) 7.330 2.193 ( -0.963 4.224 0.173) 4.336 2.205 ( -1.435 2.668 0.493) 3.069 2.233 ( -0.402 -0.192 -0.630) 0.771 2.301 ( -2.092 0.197 0.777) 2.241 2.338 ( 3.480 -4.301 -1.250) 5.672 2.475 ( -3.755 -1.067 -1.340) 4.127 2.483 ( -0.376 -6.220 -0.971) 6.306 2.520 ( 5.319 4.435 -0.911) 6.985 2.612 ( 2.586 4.037 -1.396) 4.993 2.643 ( -0.313 -3.389 2.316) 4.117 2.663 ( 0.347 -3.073 -0.325) 3.110 2.716 ( -2.571 5.448 0.481) 6.044 2.786 ( 0.295 2.588 -0.631) 2.680 2.795 ( 2.516 0.366 1.844) 3.141 2.861 ( -6.256 -5.180 -3.031) 8.669 2.892 ( 0.624 -1.051 5.019) 5.165 2.956 ( 5.107 -1.891 0.828) 5.509 2.973 ( -0.062 -2.124 0.791) 2.267 3.003 ( 3.454 -6.703 0.404) 7.551 3.072 ( -2.420 -1.264 -1.283) 3.017 3.091 ( -2.135 -7.682 -0.981) 8.033 3.187 ( -0.731 1.625 -5.357) 5.646 3.199 ( -1.141 -0.630 -0.970) 1.625 3.230 ( -1.038 -3.705 -0.359) 3.865 3.277 ( -3.725 -5.242 2.074) 6.756 3.383 ( 1.632 -1.783 -0.080) 2.418 3.429 ( -1.699 -0.173 9.808) 9.955 3.447 ( 3.134 0.250 0.892) 3.268 3.518 ( -4.244 -4.495 4.475) 7.632 3.546 ( 3.648 -0.287 -1.672) 4.023 3.638 ( 4.938 -7.009 -11.149) 14.064 3.799 ( 3.732 1.833 2.571) 4.889 3.832 ( 5.071 -0.678 2.851) 5.857 3.889 ( 1.177 6.527 -8.705) 10.944 4.044 ( 0.223 -1.948 -2.105) 2.877 4.156 ( 4.820 11.266 -1.343) 12.328 4.259 ( -1.083 -1.551 3.206) 3.723 4.288 ( -0.925 1.678 -4.473) 4.867 4.398 ( -0.791 1.991 0.599) 2.225 4.437 ( -7.326 0.270 2.718) 7.819 4.466 ( 2.421 -0.204 3.350) 4.139 4.496 ( 6.740 0.868 -1.498) 6.959 4.553 ( -0.205 5.308 7.116) 8.880 4.562 ( 3.035 -4.045 3.982) 6.437 4.640 ( -0.265 0.713 2.865) 2.964 4.701 ( -0.703 -2.871 -6.443) 7.089 4.767 ( 1.761 4.026 1.749) 4.730 4.795 ( -0.613 -3.714 1.203) 3.951 4.830 ( -2.197 -2.971 -2.245) 4.324 4.964 ( -1.939 3.598 -1.080) 4.227 4.989 ( -4.474 3.794 -6.252) 8.573 5.031 ( 2.655 -0.603 -3.820) 4.691 5.078 ( 0.396 -2.480 -6.171) 6.663 5.135 ( 1.038 4.755 1.222) 5.018 5.196 ( 1.434 -0.835 0.348) 1.696 5.326 ( -0.057 3.731 -0.994) 3.861 5.373 ( -1.282 -0.966 -2.378) 2.869 5.408 ( -2.047 1.564 -3.994) 4.753 5.440 ( -2.428 -2.383 3.314) 4.749 5.494 ( -0.176 -1.331 6.831) 6.962 5.539 ( 1.516 -3.860 1.155) 4.305 5.618 ( -5.075 1.248 6.502) 8.342 5.707 ( -4.058 -5.882 4.241) 8.310 5.828 ( -2.492 4.332 0.759) 5.055 5.887 ( -1.389 2.072 3.758) 4.510 5.951 ( 1.071 -1.032 -0.882) 1.729 6.009 ( 2.360 -5.949 -2.119) 6.742 6.059 ( 1.959 -0.428 -1.370) 2.429 6.109 ( 4.292 -3.674 0.984) 5.734 6.255 ( -4.649 4.225 -2.554) 6.781 6.325 ( 0.332 -2.298 1.770) 2.920 6.442 ( 1.367 2.199 1.658) 3.075 6.485 ( 0.242 -1.901 2.669) 3.286 6.605 ( 2.998 3.676 -3.695) 6.013 6.670 ( 0.902 -2.973 -3.554) 4.721 6.894 ( 2.095 2.523 4.020) 5.188 6.929 ( 2.952 -0.460 1.036) 3.162 7.024 ( 0.014 -0.076 -0.807) 0.811 7.039 ( 1.482 -1.333 -1.717) 2.631 7.454 ( 0.682 2.554 -0.825) 2.770 7.502 ( 1.025 0.267 -2.430) 2.651 7.525 ( -0.434 -0.770 -1.520) 1.758 7.557 ( 5.260 -0.607 3.309) 6.244 7.667 ( -2.611 2.282 -0.445) 3.496 7.722 ( -3.206 -0.686 -0.081) 3.279 7.815 ( -7.116 -1.776 -4.094) 8.400 7.818 ( -2.155 -3.455 1.161) 4.235 7.964 ( -2.316 1.918 -0.588) 3.064 8.048 ( -3.020 -4.054 1.790) 5.363 8.203 ( 2.297 3.008 -1.510) 4.075 8.258 ( 2.162 -2.041 0.759) 3.068 8.407 ( -5.477 2.463 -0.433) 6.021 8.460 ( -4.321 -2.258 -4.405) 6.571 8.581 ( -0.168 4.482 5.675) 7.234 8.705 ( 0.886 -6.290 5.615) 8.478 9.042 ( -0.971 3.905 -4.241) 5.846 9.083 ( -2.777 -0.860 -3.788) 4.775 9.288 ( 5.281 3.659 2.891) 7.045 9.355 ( 2.927 -2.951 3.314) 5.316 9.749 ( 4.948 9.762 -3.709) 11.556 9.850 ( 1.746 1.047 0.121) 2.040 9.885 ( 2.544 4.834 0.272) 5.469 9.949 ( 10.184 1.150 3.112) 10.711 10.022 ( -2.232 3.488 -1.735) 4.490 10.148 ( -1.971 -2.340 -1.844) 3.572 10.243 ( -3.905 3.001 1.912) 5.283 10.338 ( 6.184 1.718 -1.301) 6.549 10.355 ( -2.177 9.666 -1.014) 9.960 10.542 ( -1.022 5.984 -0.617) 6.102 10.613 ( 0.832 -9.250 -0.140) 9.289 10.651 ( -3.010 -4.228 -0.831) 5.256 10.798 ( -0.904 0.074 2.592) 2.746 10.801 ( 2.623 -1.351 3.221) 4.368 11.007 ( 0.142 3.638 0.863) 3.742 11.044 ( 0.646 1.193 -1.440) 1.978 11.170 ( 1.338 9.564 -1.050) 9.714 11.366 ( 5.030 6.133 -2.097) 8.204 11.371 ( -5.319 -8.704 -1.297) 10.283 11.421 ( -0.142 -1.220 1.726) 2.118 11.492 ( 0.700 -3.665 0.080) 3.732 11.591 ( -0.245 -11.377 -0.613) 11.396 11.711 ( 0.909 0.216 -0.330) 0.991 11.819 ( -0.650 -8.526 -0.292) 8.555 12.738 ( 1.236 2.747 3.082) 4.309 12.778 ( -1.079 -1.677 2.342) 3.076 12.897 ( -3.787 4.388 3.032) 6.541 12.953 ( -1.292 -0.421 -0.539) 1.462 12.976 ( -1.733 1.344 -1.749) 2.805 13.027 ( -1.029 -2.916 -3.938) 5.007 13.137 ( -2.021 1.861 0.203) 2.755 13.155 ( -1.777 -0.213 0.376) 1.829 13.458 ( 2.427 2.815 -1.968) 4.206 13.466 ( 1.950 2.443 -1.917) 3.667 13.479 ( 1.832 3.299 0.052) 3.774 13.508 ( 1.917 0.782 0.442) 2.117 14.299 ( 0.097 -0.372 0.964) 1.038 14.332 ( -0.821 -3.577 0.634) 3.725 14.346 ( -0.298 -0.538 -0.285) 0.678 14.358 ( -0.770 -1.424 -0.499) 1.694 14.877 ( -0.811 1.336 -0.800) 1.755 14.903 ( -0.415 -0.059 1.457) 1.516 14.930 ( -1.066 -0.836 -1.626) 2.116 14.970 ( -3.205 -3.413 0.734) 4.739 15.298 ( 3.331 5.293 -0.281) 6.261 15.357 ( 3.147 -0.019 -1.089) 3.330 15.398 ( 4.904 0.734 -0.069) 4.959 15.504 ( -1.070 -10.592 2.099) 10.851 18.214 ( -2.309 1.289 0.513) 2.694 18.231 ( -1.038 0.661 -1.440) 1.894 18.299 ( -3.820 3.088 1.226) 5.063 18.398 ( -2.160 -5.305 0.178) 5.730 18.503 ( -3.406 3.502 1.670) 5.163 18.557 ( -2.298 -1.262 1.261) 2.909 18.658 ( 1.405 5.111 -2.255) 5.761 18.737 ( 2.702 -2.843 -0.821) 4.007 18.794 ( 2.038 2.464 0.376) 3.220 18.833 ( 2.533 -1.033 -0.453) 2.773 18.997 ( -0.591 0.850 -1.295) 1.658 19.026 ( 0.702 -1.642 -0.079) 1.788 21.010 ( -0.448 2.349 2.742) 3.638 21.071 ( 0.090 -3.850 3.606) 5.276 21.470 ( -1.036 3.205 -2.401) 4.136 21.503 ( -1.005 -0.241 -3.271) 3.431 23.027 ( -4.280 2.661 0.646) 5.081 23.104 ( -4.534 -4.617 2.117) 6.809 23.183 ( -1.810 -0.370 -1.667) 2.489 23.204 ( -0.822 -1.754 -1.770) 2.623 23.479 ( 2.781 3.216 3.457) 5.480 23.551 ( 3.973 -0.699 -0.879) 4.129 23.558 ( 3.937 -0.640 -2.552) 4.735 23.575 ( 2.058 -4.287 1.260) 4.919 ======================= Grid point 31 (20/50) ======================= q-point: (-0.50 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( 0.000 -5.514 0.000) 5.514 1.435 ( 0.000 -6.039 0.000) 6.039 1.714 ( 0.000 0.728 0.000) 0.728 1.735 ( 0.000 -1.821 -0.000) 1.821 1.956 ( 0.000 3.093 0.000) 3.093 2.012 ( 0.000 -3.593 0.000) 3.593 2.066 ( 0.000 4.423 0.000) 4.423 2.076 ( -0.000 1.368 0.000) 1.368 2.151 ( -0.000 0.867 -0.000) 0.867 2.165 ( 0.000 5.493 0.000) 5.493 2.233 ( -0.000 1.198 0.000) 1.198 2.238 ( 0.000 -0.792 -0.000) 0.792 2.298 ( 0.000 2.677 0.000) 2.677 2.342 ( 0.000 2.778 -0.000) 2.778 2.454 ( 0.000 -6.852 0.000) 6.852 2.469 ( -0.000 -3.380 -0.000) 3.380 2.567 ( 0.000 4.127 0.000) 4.127 2.620 ( 0.000 5.581 -0.000) 5.581 2.640 ( -0.000 0.062 0.000) 0.062 2.640 ( 0.000 -3.247 -0.000) 3.247 2.738 ( 0.000 -1.000 0.000) 1.000 2.770 ( 0.000 6.261 0.000) 6.261 2.777 ( 0.000 5.985 -0.000) 5.985 2.882 ( 0.000 -6.509 0.000) 6.509 2.945 ( 0.000 -5.350 -0.000) 5.350 2.976 ( -0.000 0.531 0.000) 0.531 2.987 ( -0.000 -0.158 -0.000) 0.158 3.011 ( 0.000 -7.325 0.000) 7.325 3.065 ( 0.000 -8.282 0.000) 8.282 3.074 ( 0.000 -3.067 0.000) 3.067 3.149 ( 0.000 0.307 0.000) 0.307 3.151 ( -0.000 -1.005 0.000) 1.005 3.220 ( -0.000 -7.904 0.000) 7.904 3.237 ( 0.000 -6.070 -0.000) 6.070 3.433 ( -0.000 2.159 0.000) 2.159 3.436 ( 0.000 2.472 -0.000) 2.472 3.470 ( 0.000 -1.021 0.000) 1.021 3.509 ( 0.000 -3.485 0.000) 3.485 3.623 ( -0.000 -0.118 0.000) 0.118 3.626 ( 0.000 -0.866 -0.000) 0.866 3.833 ( 0.000 0.082 0.000) 0.082 3.877 ( 0.000 0.004 0.000) 0.004 3.911 ( 0.000 -0.805 0.000) 0.805 4.007 ( 0.000 -7.150 -0.000) 7.150 4.159 ( 0.000 14.428 -0.000) 14.428 4.204 ( -0.000 3.215 0.000) 3.215 4.300 ( 0.000 -5.524 0.000) 5.524 4.354 ( 0.000 9.344 0.000) 9.344 4.399 ( -0.000 -1.426 -0.000) 1.426 4.510 ( -0.000 -2.239 0.000) 2.239 4.567 ( 0.000 -3.334 -0.000) 3.334 4.611 ( 0.000 2.946 -0.000) 2.946 4.635 ( -0.000 8.355 -0.000) 8.355 4.670 ( 0.000 -1.552 0.000) 1.552 4.678 ( -0.000 -6.479 -0.000) 6.479 4.790 ( 0.000 -3.231 0.000) 3.231 4.811 ( 0.000 2.994 0.000) 2.994 4.834 ( -0.000 -0.190 0.000) 0.190 4.847 ( -0.000 7.423 -0.000) 7.423 4.921 ( 0.000 0.669 0.000) 0.669 5.008 ( 0.000 -0.330 0.000) 0.330 5.020 ( 0.000 -3.013 -0.000) 3.013 5.230 ( 0.000 0.902 -0.000) 0.902 5.241 ( -0.000 -0.274 -0.000) 0.274 5.256 ( 0.000 3.849 0.000) 3.849 5.318 ( -0.000 -0.831 0.000) 0.831 5.362 ( -0.000 3.725 0.000) 3.725 5.432 ( 0.000 -5.801 -0.000) 5.801 5.525 ( 0.000 4.669 0.000) 4.669 5.588 ( -0.000 -3.161 -0.000) 3.161 5.603 ( 0.000 -0.714 0.000) 0.714 5.718 ( 0.000 -9.396 0.000) 9.396 5.807 ( 0.000 6.920 0.000) 6.920 5.885 ( 0.000 3.813 0.000) 3.813 5.917 ( 0.000 -0.720 0.000) 0.720 6.034 ( 0.000 -11.834 0.000) 11.834 6.105 ( 0.000 2.898 -0.000) 2.898 6.155 ( 0.000 -1.353 0.000) 1.353 6.184 ( 0.000 5.336 0.000) 5.336 6.331 ( 0.000 -7.018 0.000) 7.018 6.486 ( 0.000 3.745 0.000) 3.745 6.538 ( 0.000 -0.720 0.000) 0.720 6.581 ( 0.000 3.210 0.000) 3.210 6.641 ( 0.000 -3.389 0.000) 3.389 6.934 ( -0.000 1.436 0.000) 1.436 6.946 ( 0.000 -0.342 -0.000) 0.342 7.034 ( -0.000 0.929 0.000) 0.929 7.045 ( 0.000 -0.341 0.000) 0.341 7.472 ( 0.000 -1.306 -0.000) 1.306 7.473 ( -0.000 -1.093 0.000) 1.093 7.543 ( 0.000 3.976 0.000) 3.976 7.623 ( -0.000 -2.628 -0.000) 2.628 7.652 ( -0.000 -2.284 0.000) 2.284 7.669 ( 0.000 -1.807 -0.000) 1.807 7.703 ( 0.000 5.553 0.000) 5.553 7.831 ( 0.000 -6.078 0.000) 6.078 7.938 ( -0.000 2.717 0.000) 2.717 8.033 ( 0.000 -4.878 0.000) 4.878 8.211 ( 0.000 3.360 0.000) 3.360 8.259 ( 0.000 -0.370 0.000) 0.370 8.380 ( -0.000 -0.498 -0.000) 0.498 8.384 ( 0.000 -1.762 0.000) 1.762 8.618 ( 0.000 5.364 0.000) 5.364 8.756 ( 0.000 -7.448 0.000) 7.448 9.003 ( 0.000 3.352 0.000) 3.352 9.031 ( 0.000 -0.025 0.000) 0.025 9.363 ( -0.000 1.880 -0.000) 1.880 9.386 ( 0.000 -0.958 0.000) 0.958 9.803 ( -0.000 4.000 -0.000) 4.000 9.813 ( 0.000 8.263 0.000) 8.263 9.927 ( 0.000 9.115 0.000) 9.115 9.983 ( 0.000 -0.884 0.000) 0.884 10.076 ( 0.000 -2.243 0.000) 2.243 10.119 ( 0.000 -6.671 0.000) 6.671 10.212 ( 0.000 13.901 0.000) 13.901 10.317 ( 0.000 5.502 -0.000) 5.502 10.448 ( 0.000 11.043 0.000) 11.043 10.480 ( 0.000 2.021 0.000) 2.021 10.618 ( 0.000 -2.144 -0.000) 2.144 10.618 ( -0.000 -10.641 0.000) 10.641 10.807 ( 0.000 0.809 -0.000) 0.809 10.852 ( 0.000 -2.554 0.000) 2.554 11.017 ( 0.000 1.664 0.000) 1.664 11.046 ( 0.000 0.966 0.000) 0.966 11.177 ( -0.000 3.756 0.000) 3.756 11.289 ( 0.000 -5.487 0.000) 5.487 11.392 ( -0.000 6.309 0.000) 6.309 11.432 ( 0.000 -2.998 -0.000) 2.998 11.529 ( 0.000 -1.959 0.000) 1.959 11.569 ( -0.000 -9.030 0.000) 9.030 11.722 ( 0.000 -1.628 0.000) 1.628 11.807 ( 0.000 -7.734 0.000) 7.734 12.773 ( 0.000 0.094 0.000) 0.094 12.776 ( -0.000 -0.189 0.000) 0.189 12.883 ( 0.000 5.391 0.000) 5.391 12.917 ( 0.000 3.497 -0.000) 3.497 12.980 ( 0.000 -1.889 -0.000) 1.889 12.983 ( -0.000 -3.780 0.000) 3.780 13.123 ( 0.000 1.596 0.000) 1.596 13.140 ( 0.000 -0.214 0.000) 0.214 13.466 ( 0.000 2.616 0.000) 2.616 13.467 ( -0.000 2.389 0.000) 2.389 13.498 ( 0.000 3.789 0.000) 3.789 13.528 ( 0.000 0.829 -0.000) 0.829 14.313 ( 0.000 -0.150 0.000) 0.150 14.333 ( 0.000 -1.428 0.001) 1.428 14.334 ( -0.000 -1.145 -0.001) 1.145 14.346 ( 0.000 -3.726 0.000) 3.726 14.864 ( 0.000 1.224 0.000) 1.224 14.902 ( 0.000 -2.542 -0.000) 2.542 14.918 ( 0.000 0.577 0.000) 0.577 14.945 ( 0.000 -2.321 0.000) 2.321 15.326 ( 0.000 5.714 0.000) 5.714 15.379 ( 0.000 1.931 0.000) 1.931 15.464 ( 0.000 -3.790 0.000) 3.790 15.489 ( -0.000 -7.462 0.000) 7.462 18.194 ( 0.000 1.936 0.000) 1.936 18.216 ( 0.000 -1.033 -0.000) 1.033 18.273 ( 0.000 3.884 0.000) 3.884 18.380 ( 0.000 -6.191 -0.000) 6.191 18.485 ( 0.000 3.814 -0.000) 3.814 18.543 ( 0.000 -1.474 0.000) 1.474 18.656 ( 0.000 6.584 0.000) 6.584 18.756 ( 0.000 -3.612 0.000) 3.612 18.814 ( 0.000 2.230 -0.000) 2.230 18.851 ( 0.000 -1.258 0.000) 1.258 18.983 ( 0.000 1.658 0.000) 1.658 19.032 ( 0.000 -2.658 0.000) 2.658 21.027 ( 0.000 2.778 -0.000) 2.778 21.091 ( 0.000 -3.373 0.000) 3.373 21.451 ( 0.000 2.186 0.000) 2.186 21.468 ( 0.000 0.287 0.000) 0.287 22.997 ( 0.000 3.306 0.000) 3.306 23.078 ( 0.000 -4.296 0.000) 4.296 23.156 ( 0.000 -0.825 -0.000) 0.825 23.185 ( 0.000 -2.875 0.000) 2.875 23.546 ( 0.000 1.804 -0.000) 1.804 23.550 ( 0.000 1.055 0.000) 1.055 23.582 ( 0.000 -1.452 0.000) 1.452 23.603 ( 0.000 -3.269 0.000) 3.269 ======================= Grid point 63 (21/50) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.694 ( -0.711 0.000 29.507) 29.515 0.719 ( -0.273 0.000 30.102) 30.103 1.136 ( -3.798 0.000 46.374) 46.529 1.317 ( 0.722 0.000 -24.774) 24.785 1.332 ( 2.833 0.000 -23.175) 23.347 1.780 ( 0.878 0.000 -7.191) 7.245 1.872 ( -1.774 0.000 2.440) 3.017 2.010 ( -4.176 0.000 3.807) 5.651 2.148 ( -2.531 0.000 -4.493) 5.156 2.250 ( 3.771 0.000 -21.068) 21.402 2.258 ( -0.437 0.000 4.010) 4.034 2.298 ( -1.677 0.000 -5.250) 5.512 2.355 ( -3.145 0.000 6.773) 7.467 2.432 ( 5.512 0.000 -2.810) 6.187 2.480 ( -2.503 0.000 0.627) 2.580 2.485 ( 2.932 0.000 -0.448) 2.966 2.614 ( 1.498 0.000 -0.569) 1.603 2.623 ( 1.569 0.000 1.571) 2.220 2.725 ( -1.595 0.000 1.855) 2.446 2.770 ( 0.060 0.000 -3.165) 3.165 2.824 ( -2.572 0.000 -1.437) 2.946 2.840 ( 4.629 0.000 -2.767) 5.393 2.916 ( -0.592 0.000 -0.070) 0.596 2.935 ( 3.645 0.000 -1.485) 3.936 3.065 ( -2.113 0.000 3.205) 3.839 3.083 ( 1.179 0.000 1.476) 1.889 3.117 ( -3.866 0.000 5.704) 6.891 3.141 ( -5.771 0.000 0.610) 5.803 3.189 ( 2.788 0.000 -2.092) 3.485 3.215 ( -2.192 0.000 -2.190) 3.099 3.277 ( -1.182 0.000 1.709) 2.078 3.343 ( 2.606 0.000 -2.479) 3.596 3.537 ( 0.002 0.000 9.717) 9.717 3.554 ( -5.773 0.000 2.872) 6.448 3.630 ( 10.538 0.000 -2.646) 10.865 3.649 ( 4.626 0.000 9.501) 10.567 3.733 ( -5.884 0.000 -1.338) 6.034 3.859 ( -19.349 0.000 -4.654) 19.901 3.894 ( 5.452 0.000 -3.785) 6.637 3.946 ( 4.239 0.000 -9.950) 10.815 3.947 ( 0.602 0.000 1.802) 1.900 4.087 ( -0.002 0.000 -8.454) 8.454 4.182 ( -3.958 0.000 -1.087) 4.104 4.245 ( 6.551 0.000 -1.771) 6.786 4.256 ( 2.869 0.000 0.533) 2.918 4.271 ( -2.132 0.000 -4.186) 4.697 4.381 ( -3.817 0.000 7.435) 8.357 4.415 ( 0.820 0.000 -0.186) 0.841 4.427 ( 2.764 0.000 -1.670) 3.229 4.471 ( -0.821 0.000 -1.716) 1.902 4.530 ( -5.652 0.000 0.940) 5.730 4.582 ( 8.262 0.000 3.714) 9.059 4.602 ( -1.595 0.000 3.682) 4.012 4.618 ( 0.217 0.000 -4.342) 4.347 4.688 ( 2.793 0.000 6.977) 7.515 4.714 ( -4.300 0.000 4.931) 6.542 4.854 ( -2.275 0.000 -0.536) 2.338 4.856 ( 1.205 0.000 -1.807) 2.172 4.910 ( 0.389 0.000 0.628) 0.739 4.945 ( 4.486 0.000 -4.214) 6.155 5.038 ( 2.355 0.000 0.129) 2.359 5.045 ( 7.993 0.000 -0.477) 8.007 5.132 ( -1.138 0.000 2.903) 3.118 5.157 ( 1.553 0.000 6.140) 6.333 5.232 ( -4.405 0.000 -4.607) 6.374 5.270 ( -7.783 0.000 2.269) 8.107 5.310 ( -4.316 0.000 -2.913) 5.208 5.355 ( 1.755 0.000 -2.470) 3.030 5.445 ( 2.960 0.000 2.492) 3.870 5.506 ( -2.525 0.000 -3.180) 4.061 5.573 ( -1.206 0.000 5.093) 5.234 5.677 ( -4.571 0.000 0.075) 4.572 5.776 ( 4.997 0.000 3.891) 6.333 5.824 ( 3.228 0.000 6.144) 6.940 5.865 ( -7.347 0.000 7.354) 10.395 5.916 ( 5.687 0.000 4.163) 7.048 6.093 ( -0.088 0.000 3.033) 3.034 6.113 ( 5.481 0.000 -3.208) 6.350 6.210 ( -10.688 0.000 -13.893) 17.529 6.283 ( -4.374 0.000 -9.420) 10.386 6.332 ( 3.097 0.000 -1.983) 3.678 6.389 ( -2.285 0.000 -3.144) 3.887 6.675 ( -4.872 0.000 3.618) 6.068 6.757 ( -1.410 0.000 -3.099) 3.405 6.851 ( 1.012 0.000 5.503) 5.595 6.945 ( 5.913 0.000 -0.215) 5.917 6.947 ( 6.768 0.000 0.878) 6.824 6.955 ( -2.297 0.000 -2.295) 3.247 7.083 ( -8.527 0.000 6.724) 10.859 7.174 ( 7.909 0.000 -1.249) 8.007 7.212 ( -0.939 0.000 0.550) 1.088 7.286 ( 3.186 0.000 -3.442) 4.691 7.486 ( -7.146 0.000 7.729) 10.527 7.661 ( 3.509 0.000 -3.138) 4.708 7.692 ( -1.791 0.000 -1.196) 2.154 7.726 ( 3.172 0.000 -5.319) 6.193 7.827 ( -1.688 0.000 2.428) 2.957 7.916 ( 1.997 0.000 -4.952) 5.339 8.090 ( 4.940 0.000 3.844) 6.259 8.155 ( -4.031 0.000 -0.960) 4.144 8.158 ( 2.739 0.000 7.347) 7.840 8.312 ( -2.853 0.000 -5.362) 6.074 8.513 ( -2.733 0.000 1.048) 2.928 8.554 ( 0.349 0.000 -2.848) 2.869 8.620 ( -0.756 0.000 4.401) 4.466 8.708 ( 0.930 0.000 -2.542) 2.707 8.886 ( 0.425 0.000 -0.005) 0.425 8.894 ( 0.228 0.000 -0.840) 0.870 9.135 ( -0.121 0.000 -1.209) 1.215 9.163 ( 0.268 0.000 -3.500) 3.510 9.299 ( 19.994 0.000 6.706) 21.089 9.445 ( -11.319 0.000 -5.470) 12.571 10.174 ( 4.084 0.000 1.937) 4.520 10.244 ( -5.975 0.000 -2.433) 6.452 10.256 ( 4.696 0.000 8.112) 9.373 10.375 ( -2.557 0.000 -4.198) 4.915 10.461 ( 4.178 0.000 7.960) 8.990 10.686 ( -5.882 0.000 -8.288) 10.163 10.719 ( -0.469 0.000 0.765) 0.898 10.723 ( -2.448 0.000 -0.256) 2.461 11.010 ( -1.731 0.000 5.272) 5.549 11.051 ( 6.543 0.000 -1.655) 6.749 11.105 ( -0.781 0.000 -1.606) 1.786 11.161 ( -4.161 0.000 -2.216) 4.714 11.339 ( -0.870 0.000 0.200) 0.893 11.353 ( -1.022 0.000 -1.012) 1.438 11.682 ( 0.093 0.000 0.420) 0.430 11.689 ( 0.656 0.000 0.252) 0.702 11.958 ( 3.095 0.000 4.761) 5.679 12.082 ( -0.800 0.000 -5.163) 5.225 12.250 ( -9.581 0.000 1.766) 9.743 12.296 ( 4.542 0.000 -1.975) 4.952 12.380 ( 1.642 0.000 2.956) 3.381 12.469 ( -1.768 0.000 -4.307) 4.656 12.646 ( 3.250 0.000 0.582) 3.302 12.669 ( -2.172 0.000 -1.484) 2.630 12.712 ( -1.693 0.000 2.769) 3.246 12.776 ( 1.687 0.000 -2.276) 2.833 12.818 ( 3.701 0.000 3.571) 5.142 12.845 ( -4.477 0.000 2.233) 5.003 12.988 ( 2.031 0.000 -0.365) 2.063 13.023 ( -0.008 0.000 -2.267) 2.267 13.188 ( -0.037 0.000 3.219) 3.219 13.277 ( 0.130 0.000 -3.789) 3.792 14.358 ( 0.574 0.000 0.751) 0.945 14.380 ( 0.032 0.000 -1.024) 1.024 14.469 ( 3.164 0.000 1.166) 3.372 14.492 ( -1.698 0.000 -0.779) 1.868 14.652 ( 0.218 0.000 1.677) 1.691 14.688 ( -0.391 0.000 -1.217) 1.278 15.139 ( 0.517 0.000 0.641) 0.823 15.156 ( -1.141 0.000 -0.725) 1.352 15.188 ( 4.643 0.000 2.218) 5.146 15.248 ( -4.356 0.000 -2.530) 5.037 17.859 ( -1.698 0.000 5.296) 5.562 17.986 ( 10.135 0.000 -3.614) 10.760 18.102 ( -24.083 0.000 -2.907) 24.258 18.106 ( 21.359 0.000 -1.390) 21.404 18.336 ( 7.216 0.000 3.228) 7.905 18.378 ( -4.952 0.000 -0.722) 5.005 18.449 ( 5.439 0.000 0.315) 5.448 18.473 ( -2.982 0.000 -1.355) 3.276 18.520 ( -1.437 0.000 2.133) 2.572 18.558 ( 2.452 0.000 -1.076) 2.678 18.906 ( -0.974 0.000 -0.302) 1.020 18.907 ( 0.327 0.000 -0.408) 0.523 18.986 ( 3.320 0.000 1.231) 3.541 19.018 ( -8.368 0.000 -1.440) 8.491 19.837 ( 3.847 0.000 2.812) 4.765 19.907 ( -9.999 0.000 -2.748) 10.370 21.268 ( 1.898 0.000 7.161) 7.408 21.445 ( -2.271 0.000 -7.059) 7.415 23.142 ( 2.984 0.000 2.417) 3.840 23.202 ( -3.623 0.000 -2.460) 4.379 23.339 ( 2.463 0.000 1.798) 3.050 23.377 ( -1.079 0.000 -1.424) 1.787 23.460 ( -0.328 0.000 2.283) 2.306 23.514 ( 0.449 0.000 -2.139) 2.186 23.886 ( -1.086 0.000 1.614) 1.945 23.923 ( 1.570 0.000 -1.352) 2.072 ======================= Grid point 64 (22/50) ======================= q-point: ( 0.17 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.044 ( 2.820 0.000 -3.296) 4.338 1.054 ( 6.575 0.000 18.648) 19.773 1.105 ( 8.459 0.000 3.248) 9.061 1.126 ( 10.190 0.000 -18.943) 21.510 1.661 ( 6.111 0.000 16.140) 17.258 1.731 ( 8.245 0.000 -13.400) 15.733 1.862 ( -4.780 0.000 16.241) 16.929 1.959 ( 4.105 0.000 -11.976) 12.660 2.132 ( -1.872 0.000 -8.968) 9.161 2.173 ( 6.868 0.000 4.117) 8.008 2.258 ( -4.317 0.000 -2.788) 5.139 2.271 ( 0.674 0.000 4.468) 4.519 2.309 ( -3.493 0.000 4.462) 5.667 2.438 ( -3.863 0.000 3.238) 5.040 2.457 ( -2.568 0.000 -2.163) 3.357 2.525 ( 6.942 0.000 -3.832) 7.930 2.641 ( 0.488 0.000 -3.046) 3.085 2.648 ( 5.563 0.000 -1.315) 5.716 2.678 ( -5.379 0.000 1.013) 5.473 2.697 ( -3.776 0.000 0.025) 3.776 2.782 ( 0.445 0.000 -2.617) 2.654 2.832 ( -4.726 0.000 0.945) 4.819 2.916 ( 0.140 0.000 -1.306) 1.313 2.969 ( 3.558 0.000 -2.719) 4.478 3.016 ( -3.394 0.000 1.033) 3.548 3.096 ( -1.865 0.000 3.853) 4.281 3.128 ( -0.000 0.000 5.131) 5.131 3.137 ( 1.374 0.000 -3.604) 3.857 3.212 ( 1.528 0.000 -2.293) 2.755 3.244 ( -2.132 0.000 5.204) 5.624 3.334 ( 5.476 0.000 0.649) 5.514 3.373 ( 1.724 0.000 -1.022) 2.004 3.453 ( -3.520 0.000 -3.984) 5.316 3.557 ( -2.434 0.000 -2.418) 3.431 3.631 ( -2.636 0.000 3.674) 4.522 3.725 ( 1.150 0.000 7.979) 8.062 3.745 ( 5.036 0.000 2.534) 5.638 3.769 ( 4.736 0.000 -2.313) 5.271 3.942 ( 1.219 0.000 5.300) 5.439 3.943 ( 6.938 0.000 -9.304) 11.606 4.003 ( -1.440 0.000 -7.443) 7.581 4.082 ( -9.213 0.000 5.600) 10.781 4.124 ( 0.520 0.000 10.360) 10.373 4.140 ( -8.548 0.000 -2.015) 8.782 4.256 ( -4.952 0.000 -2.542) 5.566 4.283 ( -1.214 0.000 1.604) 2.012 4.328 ( -8.293 0.000 -0.080) 8.293 4.345 ( -1.949 0.000 -0.745) 2.086 4.409 ( -10.412 0.000 -2.012) 10.604 4.461 ( 3.335 0.000 3.605) 4.911 4.499 ( -2.680 0.000 4.100) 4.899 4.537 ( 2.715 0.000 -1.993) 3.368 4.598 ( 0.584 0.000 -4.111) 4.152 4.678 ( -2.221 0.000 -3.571) 4.205 4.719 ( 2.542 0.000 2.282) 3.416 4.756 ( -0.955 0.000 4.016) 4.128 4.793 ( -3.237 0.000 -5.461) 6.349 4.840 ( -2.206 0.000 0.002) 2.206 4.862 ( -2.681 0.000 -2.439) 3.624 4.876 ( -4.582 0.000 1.993) 4.997 5.030 ( 2.405 0.000 -6.325) 6.766 5.067 ( -1.706 0.000 -2.307) 2.869 5.158 ( -1.357 0.000 5.190) 5.365 5.172 ( -1.589 0.000 5.518) 5.743 5.247 ( 5.020 0.000 -6.679) 8.355 5.273 ( -2.584 0.000 -1.989) 3.261 5.297 ( 5.760 0.000 4.515) 7.319 5.309 ( 0.075 0.000 2.235) 2.237 5.415 ( -4.542 0.000 2.478) 5.174 5.466 ( 0.878 0.000 -4.998) 5.075 5.681 ( -0.805 0.000 -6.051) 6.104 5.696 ( 2.324 0.000 6.021) 6.454 5.790 ( 1.698 0.000 -2.913) 3.372 5.813 ( -3.388 0.000 0.819) 3.486 5.827 ( 3.988 0.000 4.016) 5.660 6.047 ( 2.786 0.000 2.903) 4.023 6.133 ( 0.038 0.000 -6.113) 6.113 6.136 ( -0.634 0.000 -2.519) 2.597 6.216 ( 7.187 0.000 3.202) 7.868 6.267 ( -1.091 0.000 -7.194) 7.276 6.361 ( 3.294 0.000 -0.023) 3.294 6.491 ( 12.947 0.000 10.448) 16.637 6.709 ( 1.212 0.000 5.811) 5.936 6.723 ( -2.388 0.000 1.385) 2.760 6.874 ( -2.717 0.000 -4.380) 5.155 6.894 ( 0.192 0.000 2.813) 2.820 6.999 ( 4.604 0.000 -4.695) 6.576 7.061 ( 0.943 0.000 0.471) 1.054 7.264 ( 4.282 0.000 3.722) 5.673 7.276 ( 4.626 0.000 -2.312) 5.172 7.343 ( 33.544 0.000 10.256) 35.076 7.456 ( -6.368 0.000 8.498) 10.619 7.590 ( 33.290 0.000 -11.387) 35.183 7.672 ( 2.907 0.000 0.013) 2.907 7.703 ( 6.060 0.000 -2.461) 6.540 7.710 ( 1.394 0.000 -4.598) 4.805 7.797 ( -5.354 0.000 3.715) 6.517 7.872 ( -1.009 0.000 -4.161) 4.282 8.089 ( 2.542 0.000 -1.647) 3.029 8.196 ( -2.233 0.000 -6.183) 6.574 8.214 ( 4.771 0.000 2.169) 5.241 8.291 ( 2.721 0.000 6.487) 7.034 8.507 ( -0.169 0.000 3.400) 3.404 8.562 ( 2.115 0.000 0.156) 2.121 8.660 ( -1.798 0.000 -4.010) 4.395 8.676 ( 1.960 0.000 1.588) 2.522 8.906 ( 1.892 0.000 0.796) 2.052 8.935 ( 4.629 0.000 -0.999) 4.735 9.108 ( -6.255 0.000 -5.241) 8.160 9.134 ( 0.528 0.000 2.073) 2.139 9.198 ( -2.578 0.000 -4.262) 4.981 9.625 ( 13.270 0.000 -2.192) 13.450 10.057 ( -9.858 0.000 -0.819) 9.892 10.197 ( -11.826 0.000 -3.690) 12.388 10.214 ( -9.166 0.000 6.306) 11.126 10.328 ( -0.269 0.000 -1.697) 1.718 10.438 ( -11.138 0.000 -9.400) 14.575 10.538 ( -13.004 0.000 7.570) 15.047 10.635 ( -8.110 0.000 0.845) 8.154 10.657 ( -0.132 0.000 3.894) 3.896 10.970 ( -2.075 0.000 0.250) 2.091 11.088 ( 0.784 0.000 -3.741) 3.822 11.157 ( -0.490 0.000 4.267) 4.295 11.208 ( 9.220 0.000 -0.918) 9.265 11.369 ( 4.884 0.000 4.681) 6.765 11.386 ( 4.599 0.000 0.481) 4.624 11.731 ( 2.901 0.000 -1.316) 3.185 11.780 ( 9.270 0.000 -0.901) 9.314 12.013 ( 1.370 0.000 -6.603) 6.743 12.059 ( 3.488 0.000 3.744) 5.117 12.183 ( -3.643 0.000 4.238) 5.589 12.341 ( -0.682 0.000 -2.627) 2.714 12.460 ( 7.917 0.000 1.022) 7.983 12.474 ( 3.755 0.000 3.215) 4.944 12.600 ( -3.228 0.000 -1.834) 3.712 12.681 ( -1.229 0.000 1.262) 1.762 12.688 ( -2.613 0.000 1.368) 2.950 12.749 ( -0.789 0.000 -2.149) 2.289 12.798 ( -1.707 0.000 -0.539) 1.790 12.929 ( 3.140 0.000 4.411) 5.415 12.957 ( -1.678 0.000 -4.238) 4.558 13.011 ( 0.014 0.000 -1.218) 1.218 13.222 ( -0.925 0.000 3.027) 3.165 13.229 ( -0.336 0.000 -2.966) 2.985 14.384 ( 2.016 0.000 -0.963) 2.234 14.395 ( 2.502 0.000 0.484) 2.548 14.515 ( 5.049 0.000 1.448) 5.253 14.587 ( 9.022 0.000 -3.132) 9.550 14.693 ( 2.570 0.000 -0.664) 2.654 14.721 ( 6.179 0.000 0.890) 6.243 15.131 ( -1.146 0.000 -0.302) 1.186 15.137 ( -2.218 0.000 -0.441) 2.261 15.199 ( 3.206 0.000 0.162) 3.210 15.338 ( 9.919 0.000 1.852) 10.091 17.245 ( -60.461 0.000 -15.670) 62.458 17.406 ( -53.113 0.000 11.020) 54.244 17.995 ( 0.333 0.000 -3.372) 3.389 18.051 ( -7.900 0.000 6.251) 10.073 18.319 ( -1.632 0.000 -0.706) 1.778 18.416 ( -0.617 0.000 1.062) 1.228 18.431 ( 0.914 0.000 -2.392) 2.561 18.503 ( 3.017 0.000 -1.575) 3.404 18.523 ( -2.242 0.000 1.938) 2.963 18.552 ( 2.517 0.000 0.714) 2.616 18.861 ( -1.294 0.000 -0.423) 1.361 18.916 ( 1.093 0.000 0.038) 1.094 18.954 ( 0.084 0.000 -1.440) 1.442 19.000 ( -1.023 0.000 2.436) 2.642 20.356 ( 40.811 0.000 -15.490) 43.651 20.442 ( 39.993 0.000 17.636) 43.709 21.305 ( -3.804 0.000 -7.498) 8.407 21.380 ( 1.009 0.000 7.681) 7.747 23.132 ( -0.541 0.000 -1.535) 1.628 23.185 ( -3.017 0.000 0.634) 3.083 23.383 ( 3.952 0.000 -0.940) 4.062 23.386 ( 0.201 0.000 0.565) 0.600 23.475 ( 0.460 0.000 2.208) 2.256 23.491 ( 0.787 0.000 -2.613) 2.729 23.824 ( -7.286 0.000 3.841) 8.237 23.893 ( -2.294 0.000 -3.326) 4.040 ======================= Grid point 66 (23/50) ======================= q-point: ( 0.33 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.073 ( 21.140 0.000 -8.273) 22.701 1.124 ( 19.623 0.000 -18.340) 26.859 1.456 ( 8.433 0.000 18.478) 20.311 1.500 ( 9.242 0.000 17.797) 20.054 1.582 ( -11.381 0.000 0.675) 11.401 1.636 ( -9.945 0.000 -2.158) 10.177 1.884 ( -14.217 0.000 -5.674) 15.308 1.990 ( 21.943 0.000 -18.618) 28.777 2.080 ( -5.196 0.000 6.875) 8.618 2.120 ( -4.046 0.000 4.019) 5.703 2.214 ( 4.743 0.000 -7.242) 8.657 2.337 ( 0.462 0.000 -0.584) 0.745 2.372 ( -0.960 0.000 3.189) 3.330 2.431 ( 1.808 0.000 -0.456) 1.865 2.437 ( -1.147 0.000 2.827) 3.050 2.573 ( 6.861 0.000 -9.823) 11.982 2.589 ( -6.573 0.000 1.725) 6.796 2.625 ( 0.878 0.000 0.089) 0.882 2.691 ( 8.302 0.000 1.179) 8.385 2.784 ( -2.995 0.000 1.547) 3.371 2.786 ( 1.572 0.000 -1.098) 1.918 2.878 ( 7.225 0.000 3.795) 8.161 2.901 ( 6.277 0.000 5.001) 8.026 2.968 ( 0.170 0.000 -3.383) 3.387 3.024 ( -4.516 0.000 -7.772) 8.988 3.049 ( 3.425 0.000 3.150) 4.653 3.106 ( -5.699 0.000 3.808) 6.854 3.191 ( -3.128 0.000 3.338) 4.574 3.204 ( -7.998 0.000 4.926) 9.393 3.226 ( 1.934 0.000 3.400) 3.912 3.338 ( -1.750 0.000 -0.095) 1.753 3.357 ( -1.108 0.000 -0.821) 1.380 3.446 ( 7.554 0.000 -4.348) 8.715 3.554 ( -0.312 0.000 -3.741) 3.754 3.654 ( -7.334 0.000 9.086) 11.676 3.767 ( 1.268 0.000 -5.047) 5.204 3.818 ( 5.672 0.000 -5.648) 8.004 3.826 ( -0.109 0.000 0.968) 0.974 3.842 ( -4.678 0.000 -4.375) 6.405 3.935 ( -6.148 0.000 -5.136) 8.011 4.014 ( -4.525 0.000 8.371) 9.515 4.050 ( -5.524 0.000 5.870) 8.061 4.050 ( -4.220 0.000 2.094) 4.711 4.059 ( 2.718 0.000 -0.584) 2.780 4.170 ( 2.973 0.000 8.699) 9.193 4.219 ( -9.128 0.000 3.534) 9.788 4.243 ( -7.326 0.000 4.528) 8.613 4.299 ( 1.872 0.000 -1.326) 2.294 4.324 ( -2.660 0.000 0.908) 2.810 4.380 ( -8.312 0.000 -4.832) 9.614 4.470 ( -2.771 0.000 -2.503) 3.734 4.551 ( 0.977 0.000 -3.154) 3.302 4.610 ( 0.532 0.000 -5.749) 5.773 4.610 ( -4.752 0.000 -2.818) 5.525 4.663 ( 3.377 0.000 2.485) 4.193 4.748 ( 0.267 0.000 -3.981) 3.990 4.767 ( 2.341 0.000 -4.877) 5.410 4.824 ( -5.355 0.000 2.768) 6.028 4.874 ( -0.442 0.000 9.322) 9.333 4.892 ( -0.914 0.000 1.243) 1.543 5.029 ( 2.816 0.000 0.660) 2.892 5.046 ( 0.014 0.000 1.862) 1.862 5.157 ( -1.065 0.000 -6.760) 6.843 5.214 ( 0.616 0.000 2.366) 2.445 5.251 ( 3.246 0.000 -4.740) 5.745 5.252 ( 1.774 0.000 3.908) 4.292 5.263 ( -1.068 0.000 -0.544) 1.199 5.386 ( 2.822 0.000 -6.023) 6.651 5.416 ( -2.933 0.000 1.998) 3.549 5.457 ( 3.347 0.000 2.026) 3.913 5.628 ( 2.459 0.000 -1.395) 2.827 5.715 ( -1.014 0.000 -0.472) 1.118 5.754 ( -1.187 0.000 -3.580) 3.771 5.811 ( 0.885 0.000 -7.963) 8.012 5.978 ( 5.021 0.000 3.774) 6.281 6.074 ( 1.661 0.000 -2.505) 3.006 6.104 ( 0.532 0.000 5.126) 5.153 6.132 ( -4.846 0.000 -3.557) 6.011 6.196 ( 4.939 0.000 5.635) 7.493 6.296 ( 2.431 0.000 -1.380) 2.796 6.495 ( 4.520 0.000 7.265) 8.557 6.634 ( -1.339 0.000 2.961) 3.249 6.704 ( -3.742 0.000 4.299) 5.699 6.766 ( 0.822 0.000 0.100) 0.828 6.797 ( 0.238 0.000 -5.069) 5.074 6.915 ( -1.116 0.000 0.973) 1.480 7.020 ( 4.630 0.000 -4.716) 6.608 7.058 ( 0.066 0.000 -2.178) 2.179 7.336 ( 5.468 0.000 -2.248) 5.912 7.381 ( 4.137 0.000 2.216) 4.693 7.422 ( -8.825 0.000 8.670) 12.372 7.636 ( 0.204 0.000 -6.783) 6.786 7.654 ( -1.001 0.000 1.582) 1.872 7.740 ( 2.594 0.000 0.257) 2.607 7.756 ( -4.975 0.000 5.421) 7.358 7.800 ( -0.441 0.000 1.076) 1.163 7.837 ( 2.404 0.000 2.721) 3.631 8.052 ( 24.347 0.000 -8.385) 25.751 8.124 ( 1.128 0.000 -4.136) 4.287 8.276 ( 2.585 0.000 -3.686) 4.502 8.370 ( 1.855 0.000 3.339) 3.820 8.473 ( 15.406 0.000 4.888) 16.163 8.589 ( 6.633 0.000 2.033) 6.937 8.589 ( 7.066 0.000 6.640) 9.696 8.634 ( 4.451 0.000 -1.647) 4.746 8.720 ( 3.867 0.000 -0.422) 3.890 8.948 ( -2.222 0.000 -3.259) 3.944 8.960 ( 1.290 0.000 2.880) 3.156 9.000 ( 2.801 0.000 2.707) 3.895 9.202 ( 2.505 0.000 2.971) 3.886 9.287 ( 10.794 0.000 4.109) 11.550 9.552 ( -7.888 0.000 -11.186) 13.687 9.927 ( -5.927 0.000 -4.809) 7.633 9.952 ( -21.852 0.000 -2.433) 21.987 10.113 ( -0.844 0.000 8.554) 8.595 10.162 ( -9.956 0.000 -6.601) 11.945 10.232 ( -14.787 0.000 3.602) 15.220 10.332 ( -3.387 0.000 -8.228) 8.898 10.537 ( -3.666 0.000 4.594) 5.877 10.778 ( -0.197 0.000 10.311) 10.313 10.955 ( -1.404 0.000 1.682) 2.191 11.067 ( 2.228 0.000 -5.491) 5.926 11.172 ( -2.099 0.000 3.386) 3.984 11.273 ( 3.307 0.000 -1.507) 3.635 11.471 ( 5.386 0.000 -1.607) 5.621 11.609 ( 5.111 0.000 1.252) 5.263 11.673 ( -0.633 0.000 2.159) 2.250 11.889 ( 3.297 0.000 -0.580) 3.347 12.042 ( 8.467 0.000 -2.970) 8.973 12.139 ( 1.424 0.000 3.162) 3.468 12.228 ( 2.633 0.000 4.585) 5.287 12.272 ( -2.974 0.000 -1.415) 3.293 12.519 ( -1.958 0.000 -1.609) 2.535 12.551 ( -0.169 0.000 0.504) 0.532 12.613 ( -0.709 0.000 0.865) 1.119 12.648 ( 0.854 0.000 -0.407) 0.946 12.704 ( 1.491 0.000 0.283) 1.518 12.721 ( 0.808 0.000 -1.848) 2.017 12.763 ( -0.125 0.000 1.396) 1.401 12.885 ( -1.099 0.000 -3.744) 3.902 12.984 ( 0.668 0.000 -1.065) 1.257 13.014 ( 1.000 0.000 4.025) 4.147 13.209 ( -0.126 0.000 -0.510) 0.526 13.224 ( -1.998 0.000 1.882) 2.745 14.418 ( 2.415 0.000 -0.136) 2.418 14.437 ( 1.575 0.000 0.375) 1.619 14.643 ( 1.818 0.000 4.671) 5.012 14.669 ( 5.675 0.000 -4.004) 6.945 14.770 ( 6.057 0.000 2.251) 6.462 14.890 ( 10.880 0.000 6.159) 12.502 15.106 ( -1.954 0.000 1.336) 2.368 15.114 ( -0.979 0.000 0.589) 1.143 15.385 ( 17.445 0.000 4.917) 18.125 15.528 ( 13.741 0.000 -4.561) 14.478 16.103 ( -42.306 0.000 -25.398) 49.344 16.653 ( -47.060 0.000 4.680) 47.292 17.973 ( 0.912 0.000 -1.779) 1.999 17.994 ( -6.299 0.000 4.087) 7.509 18.323 ( 0.585 0.000 1.760) 1.855 18.392 ( -1.357 0.000 -0.298) 1.389 18.412 ( 0.263 0.000 -2.169) 2.185 18.525 ( -1.047 0.000 2.775) 2.966 18.530 ( 2.108 0.000 -2.240) 3.076 18.579 ( 1.363 0.000 -1.985) 2.408 18.863 ( 0.781 0.000 0.845) 1.151 18.924 ( 0.223 0.000 -0.551) 0.595 18.942 ( 0.268 0.000 -0.682) 0.732 19.018 ( -0.204 0.000 0.992) 1.013 20.733 ( 22.699 0.000 -9.225) 24.502 21.139 ( 10.016 0.000 15.812) 18.718 21.166 ( -1.558 0.000 -0.675) 1.698 21.458 ( 0.347 0.000 4.332) 4.346 23.109 ( -3.325 0.000 -0.469) 3.358 23.149 ( 2.360 0.000 0.074) 2.362 23.354 ( -3.228 0.000 0.121) 3.231 23.384 ( -1.494 0.000 -0.942) 1.766 23.500 ( 3.218 0.000 -2.163) 3.877 23.572 ( 6.875 0.000 -0.129) 6.876 23.755 ( -6.664 0.000 4.426) 8.000 23.800 ( -1.403 0.000 -5.619) 5.791 ======================= Grid point 67 (24/50) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( -8.808 0.000 -0.890) 8.852 1.275 ( -15.307 0.000 -4.879) 16.066 1.412 ( 12.173 0.000 -1.430) 12.256 1.443 ( 12.370 0.000 -6.210) 13.841 1.689 ( -1.751 0.000 4.498) 4.827 1.698 ( -1.981 0.000 6.564) 6.857 1.846 ( 8.174 0.000 9.000) 12.158 1.969 ( -8.412 0.000 2.457) 8.763 2.089 ( 4.357 0.000 -4.843) 6.514 2.110 ( 0.931 0.000 -5.413) 5.493 2.260 ( -3.868 0.000 1.119) 4.027 2.316 ( 0.546 0.000 -2.118) 2.187 2.328 ( -6.844 0.000 4.218) 8.040 2.522 ( -1.164 0.000 6.887) 6.984 2.529 ( 8.348 0.000 1.686) 8.517 2.548 ( 4.894 0.000 -10.875) 11.926 2.589 ( 1.222 0.000 5.297) 5.436 2.663 ( 5.364 0.000 -1.807) 5.660 2.694 ( -16.921 0.000 -4.411) 17.486 2.768 ( -9.181 0.000 -4.851) 10.384 2.803 ( -3.305 0.000 -0.915) 3.430 2.812 ( 2.859 0.000 -0.713) 2.946 2.890 ( -1.007 0.000 0.724) 1.241 2.922 ( 13.549 0.000 -1.126) 13.596 2.988 ( 3.134 0.000 -2.503) 4.011 3.037 ( -1.394 0.000 -2.243) 2.641 3.130 ( 3.376 0.000 -2.578) 4.248 3.139 ( 0.914 0.000 -1.407) 1.678 3.263 ( 0.947 0.000 3.754) 3.872 3.290 ( -1.280 0.000 4.021) 4.220 3.348 ( -0.776 0.000 3.264) 3.354 3.393 ( 3.129 0.000 4.977) 5.879 3.541 ( 8.155 0.000 -1.730) 8.336 3.576 ( 7.459 0.000 3.197) 8.116 3.584 ( -9.218 0.000 -6.985) 11.566 3.592 ( -9.596 0.000 6.163) 11.405 3.752 ( -6.302 0.000 1.406) 6.457 3.807 ( 0.506 0.000 -2.299) 2.354 3.864 ( -10.627 0.000 -3.898) 11.320 3.870 ( 8.862 0.000 -4.392) 9.891 3.969 ( 6.076 0.000 2.915) 6.739 4.029 ( 3.884 0.000 6.301) 7.402 4.111 ( -11.022 0.000 1.573) 11.133 4.143 ( 6.669 0.000 -4.204) 7.884 4.149 ( -1.889 0.000 4.862) 5.216 4.165 ( -10.836 0.000 -1.626) 10.958 4.222 ( -4.702 0.000 9.260) 10.385 4.325 ( 3.661 0.000 9.476) 10.158 4.336 ( 6.977 0.000 -0.861) 7.029 4.395 ( -2.006 0.000 -1.015) 2.249 4.455 ( 3.534 0.000 1.847) 3.988 4.470 ( 5.768 0.000 -3.431) 6.712 4.544 ( -0.504 0.000 -8.815) 8.830 4.562 ( -2.459 0.000 -5.449) 5.978 4.617 ( -6.239 0.000 2.933) 6.894 4.712 ( 3.484 0.000 -2.828) 4.487 4.783 ( -0.473 0.000 -1.805) 1.866 4.802 ( 2.661 0.000 -4.321) 5.075 4.883 ( 1.354 0.000 4.792) 4.980 4.922 ( -2.529 0.000 4.147) 4.857 5.035 ( 0.118 0.000 -2.423) 2.426 5.072 ( 0.219 0.000 -2.226) 2.236 5.180 ( 0.656 0.000 4.682) 4.728 5.182 ( 0.876 0.000 -3.064) 3.186 5.257 ( -1.395 0.000 -0.107) 1.399 5.282 ( -3.903 0.000 2.804) 4.806 5.284 ( 1.214 0.000 0.150) 1.223 5.367 ( 3.973 0.000 -3.965) 5.613 5.404 ( -1.137 0.000 4.386) 4.531 5.515 ( 3.585 0.000 -4.607) 5.838 5.658 ( -2.841 0.000 -2.176) 3.579 5.676 ( 1.910 0.000 0.028) 1.910 5.711 ( 1.149 0.000 -3.119) 3.324 5.733 ( -0.173 0.000 -4.578) 4.581 6.038 ( -1.437 0.000 -1.902) 2.384 6.038 ( -1.117 0.000 -1.868) 2.176 6.085 ( -0.083 0.000 5.292) 5.293 6.174 ( -0.790 0.000 1.381) 1.591 6.323 ( 2.653 0.000 0.565) 2.713 6.351 ( 4.432 0.000 3.979) 5.956 6.597 ( -3.783 0.000 2.547) 4.561 6.609 ( -0.626 0.000 6.317) 6.348 6.703 ( -3.487 0.000 5.498) 6.511 6.761 ( 0.113 0.000 -2.891) 2.893 6.775 ( 4.144 0.000 -3.370) 5.341 6.855 ( -3.832 0.000 -3.445) 5.153 7.017 ( -1.902 0.000 -2.105) 2.837 7.050 ( 4.354 0.000 -3.559) 5.623 7.378 ( -7.201 0.000 8.719) 11.308 7.401 ( -3.866 0.000 -0.152) 3.869 7.402 ( 3.568 0.000 -0.261) 3.577 7.574 ( 3.284 0.000 -6.773) 7.527 7.658 ( -0.931 0.000 2.374) 2.550 7.743 ( 2.291 0.000 -4.596) 5.135 7.757 ( -2.364 0.000 5.477) 5.965 7.795 ( -0.693 0.000 1.829) 1.956 7.960 ( 3.084 0.000 8.546) 9.085 8.134 ( 2.674 0.000 -1.684) 3.160 8.151 ( 0.369 0.000 -5.190) 5.203 8.191 ( -1.956 0.000 -9.388) 9.590 8.428 ( -1.910 0.000 3.744) 4.203 8.497 ( 2.255 0.000 -2.511) 3.375 8.634 ( -6.723 0.000 0.948) 6.789 8.698 ( 3.229 0.000 -3.114) 4.485 8.778 ( -1.814 0.000 2.665) 3.224 8.803 ( 3.027 0.000 0.836) 3.140 8.979 ( 5.238 0.000 1.943) 5.587 8.988 ( -5.311 0.000 1.752) 5.593 9.115 ( 3.953 0.000 6.395) 7.519 9.186 ( -5.987 0.000 -0.840) 6.046 9.374 ( -14.476 0.000 0.577) 14.488 9.435 ( 15.181 0.000 -5.678) 16.208 9.796 ( 14.056 0.000 3.642) 14.520 9.917 ( -4.460 0.000 -4.163) 6.101 9.959 ( 4.766 0.000 0.130) 4.768 10.009 ( -10.551 0.000 -2.076) 10.753 10.141 ( 1.090 0.000 0.026) 1.090 10.218 ( 0.015 0.000 -8.088) 8.088 10.676 ( 4.388 0.000 13.712) 14.397 10.822 ( -4.700 0.000 3.478) 5.847 10.955 ( -1.173 0.000 1.823) 2.168 11.048 ( 3.001 0.000 -5.350) 6.135 11.179 ( -1.496 0.000 3.667) 3.961 11.280 ( 0.547 0.000 -5.094) 5.124 11.470 ( -5.704 0.000 -1.735) 5.962 11.506 ( 1.661 0.000 -2.728) 3.194 11.846 ( 2.957 0.000 5.414) 6.169 11.888 ( -2.004 0.000 0.084) 2.006 12.168 ( -2.576 0.000 1.810) 3.148 12.177 ( 6.256 0.000 0.364) 6.267 12.246 ( 1.045 0.000 2.499) 2.709 12.291 ( -1.822 0.000 0.945) 2.053 12.479 ( 0.895 0.000 -0.108) 0.902 12.542 ( 0.186 0.000 0.260) 0.320 12.561 ( -3.842 0.000 -4.000) 5.546 12.576 ( -1.125 0.000 -3.597) 3.769 12.708 ( -0.276 0.000 0.955) 0.994 12.730 ( 0.808 0.000 -0.860) 1.180 12.809 ( -0.712 0.000 1.262) 1.449 12.845 ( 0.521 0.000 -2.479) 2.533 13.043 ( 3.208 0.000 2.635) 4.151 13.047 ( -1.556 0.000 2.551) 2.988 13.207 ( -1.404 0.000 0.560) 1.512 13.213 ( 1.215 0.000 0.066) 1.217 14.445 ( 0.531 0.000 0.269) 0.595 14.449 ( -0.406 0.000 -0.009) 0.406 14.651 ( -3.134 0.000 1.397) 3.431 14.694 ( 2.280 0.000 -2.581) 3.444 14.952 ( 8.566 0.000 8.311) 11.936 15.053 ( -3.758 0.000 -1.267) 3.965 15.120 ( -0.328 0.000 3.394) 3.410 15.149 ( -2.076 0.000 14.170) 14.321 15.390 ( -15.263 0.000 -12.364) 19.643 15.639 ( 13.492 0.000 -18.697) 23.057 15.893 ( 35.650 0.000 6.078) 36.165 15.986 ( -34.365 0.000 -2.306) 34.442 17.948 ( -3.580 0.000 2.734) 4.505 17.989 ( 2.693 0.000 -0.630) 2.766 18.350 ( -0.490 0.000 2.990) 3.030 18.378 ( -0.166 0.000 -0.329) 0.369 18.407 ( 0.834 0.000 -0.120) 0.843 18.505 ( 0.285 0.000 -5.694) 5.702 18.538 ( -1.133 0.000 2.364) 2.621 18.573 ( 0.660 0.000 -1.227) 1.394 18.887 ( 0.341 0.000 1.370) 1.412 18.917 ( 0.001 0.000 -1.098) 1.098 18.963 ( 1.893 0.000 1.170) 2.226 18.995 ( -2.209 0.000 -1.307) 2.566 20.943 ( 11.530 0.000 -2.197) 11.738 20.966 ( -12.207 0.000 -4.579) 13.038 21.399 ( 0.371 0.000 9.934) 9.941 21.496 ( 0.294 0.000 1.810) 1.834 23.106 ( 1.289 0.000 1.987) 2.369 23.159 ( -0.210 0.000 -1.918) 1.930 23.330 ( -0.416 0.000 1.196) 1.267 23.360 ( 0.480 0.000 -1.280) 1.367 23.541 ( 2.974 0.000 -0.307) 2.990 23.593 ( -2.624 0.000 -3.613) 4.465 23.697 ( -6.147 0.000 4.054) 7.363 23.779 ( 4.900 0.000 -2.901) 5.694 ======================= Grid point 69 (25/50) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.866 ( -26.272 0.000 2.000) 26.348 0.912 ( -25.612 0.000 6.435) 26.408 1.606 ( -26.771 0.000 -2.269) 26.867 1.625 ( 13.908 0.000 -2.321) 14.100 1.706 ( 2.231 0.000 0.747) 2.352 1.756 ( 5.491 0.000 2.257) 5.937 1.841 ( -9.789 0.000 -5.622) 11.289 1.875 ( 9.779 0.000 6.399) 11.687 1.882 ( -7.685 0.000 -7.787) 10.941 2.103 ( 4.917 0.000 3.019) 5.770 2.238 ( -6.452 0.000 12.636) 14.188 2.316 ( -2.685 0.000 0.373) 2.711 2.323 ( 2.271 0.000 -5.255) 5.725 2.459 ( -5.359 0.000 -3.580) 6.445 2.504 ( 10.765 0.000 -2.353) 11.019 2.511 ( 1.082 0.000 -6.251) 6.344 2.561 ( -2.155 0.000 4.661) 5.135 2.622 ( 1.411 0.000 -0.472) 1.488 2.692 ( -7.282 0.000 1.980) 7.547 2.795 ( 4.262 0.000 -0.262) 4.270 2.829 ( -1.882 0.000 -3.914) 4.343 2.870 ( 6.581 0.000 2.934) 7.205 2.882 ( -3.031 0.000 3.573) 4.685 2.939 ( -0.673 0.000 0.645) 0.932 2.982 ( -2.301 0.000 -1.328) 2.657 3.153 ( 0.566 0.000 -2.594) 2.655 3.176 ( 5.813 0.000 4.331) 7.249 3.222 ( 8.604 0.000 -6.281) 10.653 3.316 ( 0.524 0.000 2.158) 2.220 3.329 ( 3.232 0.000 0.315) 3.248 3.366 ( -5.578 0.000 -6.344) 8.447 3.382 ( 0.986 0.000 -2.817) 2.985 3.471 ( 0.059 0.000 -1.003) 1.005 3.474 ( 2.999 0.000 -3.150) 4.349 3.618 ( -10.844 0.000 8.143) 13.561 3.625 ( -2.980 0.000 6.807) 7.431 3.724 ( 0.646 0.000 -1.042) 1.226 3.790 ( 6.833 0.000 2.608) 7.314 3.843 ( 4.424 0.000 1.172) 4.576 3.912 ( -3.542 0.000 -4.731) 5.910 3.991 ( 4.577 0.000 0.350) 4.590 4.012 ( -6.735 0.000 4.010) 7.839 4.094 ( 7.754 0.000 2.001) 8.008 4.222 ( 3.206 0.000 2.844) 4.285 4.224 ( 6.217 0.000 -4.557) 7.708 4.237 ( 8.468 0.000 5.652) 10.181 4.270 ( -1.107 0.000 6.425) 6.520 4.318 ( -0.338 0.000 -0.635) 0.719 4.364 ( -1.683 0.000 0.301) 1.709 4.398 ( 2.148 0.000 -3.649) 4.234 4.403 ( -2.465 0.000 -7.659) 8.046 4.451 ( 2.803 0.000 -0.490) 2.845 4.531 ( 1.026 0.000 0.327) 1.077 4.661 ( 4.740 0.000 4.934) 6.842 4.664 ( 1.761 0.000 2.256) 2.862 4.703 ( 0.610 0.000 -4.758) 4.797 4.787 ( 7.141 0.000 1.766) 7.356 4.788 ( 1.015 0.000 -4.412) 4.528 4.904 ( -0.814 0.000 -0.613) 1.019 4.981 ( -0.705 0.000 1.941) 2.065 5.019 ( 2.830 0.000 -4.196) 5.062 5.023 ( -1.879 0.000 2.762) 3.341 5.119 ( -5.044 0.000 -1.597) 5.291 5.199 ( -4.181 0.000 -3.189) 5.259 5.216 ( 0.744 0.000 4.515) 4.576 5.312 ( 1.076 0.000 1.624) 1.948 5.339 ( 2.851 0.000 3.223) 4.303 5.363 ( 0.061 0.000 -5.094) 5.094 5.437 ( 0.107 0.000 3.137) 3.139 5.457 ( -0.477 0.000 -7.540) 7.555 5.642 ( -2.196 0.000 -2.557) 3.371 5.644 ( 0.809 0.000 3.606) 3.695 5.672 ( -2.716 0.000 -2.747) 3.863 5.731 ( 1.365 0.000 0.664) 1.518 5.976 ( -6.352 0.000 4.447) 7.753 6.015 ( -0.422 0.000 -0.167) 0.454 6.136 ( -0.315 0.000 -2.023) 2.047 6.169 ( 2.644 0.000 2.219) 3.452 6.327 ( -3.786 0.000 -3.011) 4.837 6.346 ( -1.664 0.000 -6.413) 6.625 6.635 ( -0.291 0.000 8.155) 8.160 6.644 ( 0.194 0.000 3.773) 3.778 6.670 ( -5.470 0.000 -4.937) 7.369 6.722 ( 0.608 0.000 3.904) 3.951 6.782 ( -0.661 0.000 -2.326) 2.418 6.850 ( 2.956 0.000 2.689) 3.996 6.956 ( -3.200 0.000 -0.844) 3.310 7.073 ( 2.352 0.000 -2.705) 3.585 7.302 ( -6.439 0.000 0.412) 6.453 7.363 ( -5.474 0.000 5.554) 7.798 7.457 ( 0.134 0.000 5.589) 5.590 7.587 ( 4.677 0.000 -4.221) 6.300 7.683 ( 0.696 0.000 2.590) 2.682 7.724 ( 0.512 0.000 -4.476) 4.505 7.781 ( -7.569 0.000 3.101) 8.179 7.793 ( 0.365 0.000 3.030) 3.052 8.013 ( -3.524 0.000 -9.295) 9.940 8.027 ( -12.219 0.000 -3.984) 12.852 8.088 ( -2.709 0.000 -3.089) 4.109 8.117 ( 2.443 0.000 6.879) 7.300 8.398 ( -7.040 0.000 1.240) 7.149 8.420 ( -2.535 0.000 3.706) 4.491 8.598 ( 2.544 0.000 1.972) 3.219 8.634 ( -5.508 0.000 -0.377) 5.521 8.710 ( -5.833 0.000 0.081) 5.833 8.757 ( -8.963 0.000 -0.551) 8.980 8.905 ( -1.761 0.000 0.065) 1.762 9.013 ( -1.796 0.000 -0.932) 2.024 9.111 ( -0.426 0.000 -1.770) 1.820 9.241 ( -0.275 0.000 -0.381) 0.470 9.328 ( 7.984 0.000 9.928) 12.740 9.526 ( -8.705 0.000 -16.544) 18.694 9.897 ( 2.288 0.000 -3.081) 3.838 9.918 ( 23.539 0.000 -0.082) 23.540 10.085 ( 11.923 0.000 -0.885) 11.956 10.170 ( 4.528 0.000 5.151) 6.858 10.199 ( 6.439 0.000 -1.473) 6.605 10.276 ( 18.828 0.000 -0.062) 18.828 10.702 ( -5.947 0.000 -6.018) 8.460 10.874 ( 2.450 0.000 9.690) 9.995 10.944 ( -1.897 0.000 -0.183) 1.906 11.043 ( 3.149 0.000 -4.741) 5.691 11.207 ( -1.445 0.000 4.752) 4.967 11.212 ( -1.563 0.000 -2.097) 2.615 11.422 ( -3.152 0.000 2.777) 4.201 11.492 ( -1.690 0.000 3.075) 3.508 11.831 ( -3.531 0.000 -3.393) 4.897 11.869 ( -4.333 0.000 1.403) 4.555 12.047 ( -10.191 0.000 -3.597) 10.808 12.188 ( -1.693 0.000 0.122) 1.698 12.247 ( -1.067 0.000 1.342) 1.715 12.332 ( 2.013 0.000 -2.725) 3.388 12.478 ( 1.445 0.000 0.042) 1.445 12.534 ( -0.271 0.000 6.618) 6.623 12.564 ( 0.949 0.000 -0.845) 1.271 12.595 ( 3.909 0.000 1.502) 4.187 12.696 ( -1.677 0.000 0.181) 1.687 12.719 ( 0.124 0.000 -1.081) 1.088 12.809 ( -0.574 0.000 2.278) 2.350 12.829 ( -0.557 0.000 -2.002) 2.078 13.015 ( -2.681 0.000 -2.144) 3.433 13.073 ( -1.110 0.000 -0.580) 1.253 13.199 ( -0.217 0.000 0.625) 0.662 13.255 ( 3.305 0.000 -0.275) 3.316 14.423 ( -2.381 0.000 -0.425) 2.419 14.441 ( -1.343 0.000 0.213) 1.359 14.604 ( -4.601 0.000 2.041) 5.033 14.698 ( 0.764 0.000 -0.920) 1.196 14.840 ( -12.129 0.000 -3.560) 12.641 15.090 ( 1.809 0.000 -1.422) 2.301 15.133 ( -0.809 0.000 -0.813) 1.147 15.344 ( 3.524 0.000 25.744) 25.984 15.348 ( -3.610 0.000 9.338) 10.011 15.488 ( 3.353 0.000 -36.494) 36.648 15.508 ( -12.769 0.000 0.119) 12.770 16.654 ( 48.635 0.000 3.477) 48.759 17.932 ( -1.720 0.000 1.820) 2.504 18.050 ( 5.122 0.000 -0.125) 5.124 18.366 ( -0.596 0.000 -1.304) 1.434 18.376 ( 0.176 0.000 2.167) 2.174 18.436 ( 0.336 0.000 3.194) 3.212 18.441 ( -0.074 0.000 -5.034) 5.034 18.537 ( -1.578 0.000 1.651) 2.284 18.566 ( -0.352 0.000 -0.904) 0.970 18.899 ( -0.066 0.000 -1.964) 1.965 18.906 ( 0.231 0.000 1.145) 1.168 18.942 ( -1.836 0.000 -0.636) 1.943 19.012 ( 1.636 0.000 1.450) 2.186 20.637 ( -24.072 0.000 -0.970) 24.091 21.084 ( 6.242 0.000 1.104) 6.339 21.475 ( 1.023 0.000 3.450) 3.599 21.512 ( 1.570 0.000 -2.932) 3.326 23.136 ( 1.510 0.000 -2.957) 3.320 23.148 ( 0.431 0.000 0.487) 0.651 23.350 ( 1.315 0.000 1.354) 1.887 23.369 ( 2.058 0.000 -1.162) 2.364 23.485 ( -4.917 0.000 -1.120) 5.043 23.543 ( -4.226 0.000 0.392) 4.244 23.661 ( -3.410 0.000 5.007) 6.058 23.839 ( 5.404 0.000 -2.800) 6.086 ======================= Grid point 70 (26/50) ======================= q-point: (-0.17 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( -20.399 0.000 19.807) 28.433 0.570 ( -23.154 0.000 14.305) 27.217 1.072 ( -39.562 0.000 31.308) 50.451 1.548 ( -3.890 0.000 -16.745) 17.191 1.604 ( -4.958 0.000 -19.092) 19.726 1.802 ( 7.771 0.000 -6.296) 10.001 1.814 ( 4.776 0.000 3.380) 5.851 2.011 ( -6.577 0.000 10.388) 12.295 2.063 ( 16.057 0.000 3.906) 16.526 2.229 ( 5.478 0.000 1.905) 5.799 2.259 ( -5.801 0.000 4.865) 7.571 2.303 ( -4.030 0.000 8.003) 8.960 2.341 ( 13.655 0.000 -7.915) 15.783 2.411 ( 0.385 0.000 -3.453) 3.474 2.496 ( 0.950 0.000 -1.408) 1.699 2.496 ( -1.759 0.000 -2.000) 2.664 2.605 ( 0.286 0.000 0.343) 0.446 2.684 ( 4.092 0.000 0.828) 4.175 2.686 ( 4.877 0.000 0.497) 4.902 2.721 ( -7.608 0.000 -7.007) 10.343 2.808 ( 2.906 0.000 -3.186) 4.312 2.889 ( 2.039 0.000 -1.846) 2.751 2.936 ( -1.334 0.000 -0.209) 1.351 2.943 ( 0.389 0.000 -3.378) 3.401 3.003 ( 2.319 0.000 6.205) 6.624 3.047 ( -2.517 0.000 -2.720) 3.706 3.153 ( -6.021 0.000 -2.180) 6.404 3.222 ( -2.364 0.000 -4.996) 5.527 3.255 ( 1.452 0.000 -5.609) 5.794 3.321 ( -1.439 0.000 4.233) 4.471 3.341 ( -7.070 0.000 1.076) 7.151 3.345 ( -1.113 0.000 0.110) 1.118 3.437 ( -0.974 0.000 8.719) 8.773 3.452 ( 5.618 0.000 -7.117) 9.067 3.573 ( -6.046 0.000 7.480) 9.618 3.617 ( -5.607 0.000 3.802) 6.774 3.845 ( -6.466 0.000 4.153) 7.685 3.888 ( 0.796 0.000 -1.966) 2.121 3.911 ( 9.595 0.000 -9.592) 13.567 3.916 ( 7.606 0.000 -0.488) 7.622 3.992 ( -2.131 0.000 6.533) 6.871 4.130 ( 10.937 0.000 2.344) 11.185 4.166 ( 2.442 0.000 -7.220) 7.622 4.251 ( 1.665 0.000 -1.816) 2.464 4.276 ( 3.340 0.000 1.295) 3.583 4.327 ( 9.142 0.000 -3.386) 9.749 4.336 ( 0.374 0.000 -0.991) 1.059 4.342 ( -3.108 0.000 8.669) 9.209 4.386 ( 0.970 0.000 -6.508) 6.580 4.408 ( 6.906 0.000 -0.388) 6.917 4.477 ( 7.970 0.000 8.066) 11.339 4.504 ( -1.569 0.000 -0.439) 1.629 4.563 ( 0.604 0.000 3.722) 3.771 4.648 ( -4.436 0.000 0.470) 4.460 4.650 ( -1.956 0.000 3.004) 3.585 4.740 ( 1.041 0.000 -4.274) 4.399 4.774 ( 7.301 0.000 -5.920) 9.399 4.879 ( 3.600 0.000 0.126) 3.602 4.895 ( -0.478 0.000 0.889) 1.010 4.927 ( -3.698 0.000 -2.197) 4.302 5.014 ( -2.959 0.000 2.372) 3.792 5.054 ( -4.965 0.000 -6.962) 8.551 5.105 ( 3.250 0.000 3.479) 4.761 5.114 ( 0.841 0.000 6.447) 6.502 5.247 ( 0.404 0.000 2.625) 2.656 5.303 ( 1.530 0.000 -4.773) 5.013 5.337 ( -2.077 0.000 -1.951) 2.850 5.345 ( 2.979 0.000 -2.356) 3.798 5.427 ( -2.100 0.000 -1.099) 2.370 5.455 ( 5.097 0.000 4.502) 6.800 5.591 ( -2.244 0.000 -4.299) 4.850 5.659 ( -0.425 0.000 6.017) 6.032 5.735 ( 2.780 0.000 6.029) 6.639 5.775 ( 1.533 0.000 1.510) 2.151 5.923 ( -8.166 0.000 5.380) 9.779 5.977 ( -2.227 0.000 -6.985) 7.332 6.118 ( -3.377 0.000 -2.344) 4.111 6.132 ( -5.522 0.000 -4.028) 6.835 6.212 ( 4.873 0.000 1.854) 5.214 6.322 ( 2.886 0.000 -3.192) 4.303 6.490 ( -6.962 0.000 -7.955) 10.571 6.670 ( -0.095 0.000 -2.407) 2.409 6.712 ( -1.962 0.000 6.008) 6.321 6.761 ( 0.157 0.000 1.739) 1.746 6.807 ( 4.448 0.000 0.418) 4.468 6.887 ( -2.174 0.000 2.711) 3.475 6.913 ( -1.897 0.000 1.471) 2.400 7.067 ( 0.273 0.000 -2.461) 2.477 7.219 ( -6.111 0.000 2.288) 6.526 7.314 ( -4.533 0.000 1.664) 4.829 7.380 ( -29.598 0.000 5.787) 30.158 7.507 ( -3.601 0.000 5.912) 6.922 7.636 ( 4.581 0.000 -4.081) 6.135 7.725 ( 0.713 0.000 0.151) 0.729 7.731 ( 2.762 0.000 -4.741) 5.487 7.806 ( -1.661 0.000 -0.112) 1.664 7.843 ( -12.397 0.000 -19.227) 22.878 7.922 ( 3.643 0.000 -5.618) 6.696 8.057 ( -1.134 0.000 2.238) 2.509 8.190 ( -1.713 0.000 3.820) 4.187 8.239 ( -28.850 0.000 -23.640) 37.299 8.375 ( -0.261 0.000 -0.833) 0.873 8.537 ( -3.719 0.000 0.737) 3.791 8.608 ( -1.512 0.000 -4.089) 4.359 8.624 ( 1.296 0.000 -2.742) 3.033 8.677 ( 2.444 0.000 1.126) 2.691 8.929 ( 3.491 0.000 7.623) 8.384 8.943 ( -4.514 0.000 -1.475) 4.749 8.964 ( -9.670 0.000 -8.097) 12.612 9.191 ( -3.904 0.000 -2.098) 4.432 9.203 ( -0.884 0.000 -2.896) 3.027 9.536 ( 2.275 0.000 5.308) 5.775 10.017 ( 10.007 0.000 3.544) 10.616 10.180 ( 0.444 0.000 -0.614) 0.757 10.254 ( 4.581 0.000 2.764) 5.350 10.294 ( 7.823 0.000 -0.889) 7.873 10.300 ( 13.925 0.000 -0.528) 13.935 10.603 ( 18.680 0.000 -2.419) 18.836 10.647 ( 5.400 0.000 -0.736) 5.450 10.866 ( -3.547 0.000 -6.980) 7.829 10.963 ( -1.244 0.000 4.741) 4.902 11.036 ( 2.086 0.000 -4.722) 5.163 11.193 ( -4.019 0.000 0.435) 4.042 11.197 ( -0.500 0.000 1.354) 1.444 11.391 ( -2.637 0.000 0.155) 2.642 11.496 ( -9.654 0.000 -1.207) 9.730 11.705 ( -0.770 0.000 -2.679) 2.787 11.760 ( -8.422 0.000 0.457) 8.435 11.874 ( -5.445 0.000 4.271) 6.921 12.147 ( -1.671 0.000 -2.560) 3.057 12.287 ( 1.004 0.000 -4.563) 4.672 12.302 ( 3.388 0.000 1.123) 3.569 12.535 ( -0.955 0.000 -1.129) 1.479 12.539 ( -9.274 0.000 -3.093) 9.776 12.572 ( 4.221 0.000 -0.134) 4.224 12.681 ( 3.088 0.000 1.155) 3.296 12.694 ( 0.056 0.000 1.926) 1.927 12.703 ( 0.216 0.000 -1.052) 1.074 12.787 ( 1.126 0.000 -0.644) 1.297 12.842 ( -0.623 0.000 4.619) 4.661 12.961 ( 0.476 0.000 2.421) 2.467 13.017 ( -2.683 0.000 -2.400) 3.600 13.200 ( -0.980 0.000 -0.279) 1.019 13.291 ( 2.282 0.000 -2.158) 3.141 14.373 ( -2.598 0.000 -0.090) 2.599 14.410 ( -1.959 0.000 -0.517) 2.026 14.546 ( -4.476 0.000 1.262) 4.650 14.675 ( -3.986 0.000 -8.860) 9.715 14.680 ( -5.201 0.000 0.240) 5.206 14.794 ( -19.686 0.000 -21.670) 29.276 15.128 ( 0.357 0.000 -0.064) 0.363 15.142 ( 0.119 0.000 -1.949) 1.952 15.224 ( -7.175 0.000 -1.597) 7.351 15.337 ( -5.343 0.000 2.390) 5.853 16.449 ( 62.502 0.000 66.638) 91.363 17.500 ( 47.599 0.000 -0.017) 47.599 17.932 ( -0.780 0.000 2.272) 2.402 18.150 ( 7.236 0.000 -0.745) 7.274 18.320 ( -2.907 0.000 -1.643) 3.339 18.408 ( 0.540 0.000 -1.287) 1.395 18.410 ( 0.934 0.000 1.875) 2.095 18.460 ( -1.212 0.000 1.940) 2.288 18.531 ( -1.601 0.000 1.938) 2.514 18.540 ( -1.878 0.000 -0.140) 1.883 18.889 ( 2.453 0.000 -2.187) 3.286 18.915 ( -0.244 0.000 0.258) 0.356 18.930 ( 0.036 0.000 0.782) 0.783 19.038 ( 1.021 0.000 -0.369) 1.085 20.164 ( -32.862 0.000 2.988) 32.997 21.165 ( -21.961 0.000 -33.735) 40.254 21.178 ( -7.449 0.000 -11.160) 13.418 21.507 ( 1.215 0.000 -2.267) 2.572 23.120 ( -1.598 0.000 -0.641) 1.722 23.175 ( 5.463 0.000 1.218) 5.598 23.372 ( -4.408 0.000 -0.254) 4.416 23.396 ( 1.112 0.000 -0.424) 1.190 23.439 ( -1.158 0.000 1.750) 2.099 23.493 ( 1.935 0.000 2.055) 2.822 23.722 ( 2.544 0.000 12.995) 13.241 23.891 ( 4.289 0.000 -2.257) 4.847 ======================= Grid point 71 (27/50) ======================= q-point: ( 0.00 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.880 ( -1.316 15.563 21.783) 26.803 0.887 ( -1.829 15.523 20.668) 25.913 1.374 ( 3.565 6.237 -19.926) 21.182 1.423 ( 0.445 7.349 -21.037) 22.289 1.533 ( 0.240 34.116 28.279) 44.313 1.851 ( -0.854 5.431 -2.185) 5.916 1.897 ( -1.444 3.801 3.783) 5.553 2.013 ( -1.457 -0.046 4.457) 4.690 2.128 ( -3.472 -3.015 -3.307) 5.664 2.205 ( 3.523 -3.417 1.341) 5.088 2.212 ( -3.068 -0.234 -1.824) 3.577 2.307 ( -1.957 -2.717 -2.343) 4.087 2.408 ( 0.802 5.109 -8.864) 10.262 2.426 ( 4.180 -1.663 -1.214) 4.660 2.508 ( -3.523 1.782 -0.430) 3.971 2.521 ( 3.736 2.324 -0.020) 4.400 2.609 ( -0.505 0.957 -0.399) 1.153 2.644 ( 0.996 -0.183 -2.849) 3.024 2.717 ( -0.624 2.399 1.581) 2.940 2.735 ( -3.747 -1.982 -0.209) 4.244 2.777 ( 1.461 -4.673 -1.572) 5.142 2.795 ( 5.195 -1.637 -3.834) 6.661 2.919 ( -4.352 -4.628 1.911) 6.634 2.956 ( -0.420 -5.287 -1.311) 5.463 2.984 ( 4.761 0.446 1.277) 4.950 3.076 ( -1.881 -3.415 -3.601) 5.307 3.080 ( 0.078 -3.797 0.492) 3.830 3.117 ( 3.205 1.579 0.195) 3.578 3.211 ( -3.471 2.604 4.076) 5.953 3.247 ( 0.545 1.553 1.866) 2.488 3.272 ( -2.305 1.642 -0.234) 2.840 3.330 ( 0.881 -0.204 -3.189) 3.315 3.472 ( -4.713 -8.062 2.972) 9.800 3.486 ( 1.637 -3.487 6.199) 7.299 3.552 ( 4.793 -5.472 0.682) 7.306 3.603 ( 1.735 -5.328 -0.452) 5.621 3.664 ( -6.386 -5.880 7.449) 11.439 3.728 ( 1.816 -6.589 -2.035) 7.131 3.796 ( -3.633 -3.493 -4.683) 6.879 3.896 ( 1.177 -4.832 -3.326) 5.983 3.902 ( 5.743 -3.066 -7.628) 10.029 3.939 ( 0.464 -10.145 -6.946) 12.304 4.158 ( -0.600 -8.032 0.260) 8.058 4.181 ( -0.420 -9.375 -0.675) 9.409 4.203 ( -2.673 -0.805 0.758) 2.893 4.286 ( 2.215 2.533 1.346) 3.624 4.336 ( -0.944 -8.846 0.257) 8.900 4.353 ( -2.014 -5.622 0.771) 6.021 4.403 ( -0.695 -3.419 4.063) 5.355 4.463 ( 1.217 -0.143 -1.949) 2.302 4.570 ( 3.642 0.778 4.581) 5.904 4.594 ( 5.011 1.926 -0.250) 5.374 4.647 ( 1.860 1.255 0.479) 2.294 4.685 ( -2.553 -2.036 2.987) 4.426 4.758 ( -5.603 2.318 -3.033) 6.779 4.776 ( -5.435 3.386 5.001) 8.125 4.835 ( -2.090 0.805 -7.394) 7.725 4.911 ( 5.511 1.019 -4.133) 6.964 4.938 ( -5.141 0.163 2.364) 5.661 4.969 ( 2.743 2.433 -0.127) 3.669 5.042 ( 1.701 2.104 1.857) 3.282 5.089 ( 0.217 6.078 6.018) 8.556 5.097 ( 2.166 -0.358 4.334) 4.858 5.201 ( 3.075 1.689 0.044) 3.509 5.250 ( 0.862 2.587 -5.592) 6.221 5.277 ( -1.321 1.930 4.520) 5.089 5.342 ( 1.770 2.574 -1.862) 3.636 5.390 ( -2.977 0.321 -0.753) 3.088 5.471 ( -4.174 7.242 1.135) 8.436 5.525 ( 2.463 -1.014 -3.728) 4.581 5.603 ( 1.357 2.217 1.331) 2.921 5.663 ( -4.360 -1.043 -2.325) 5.050 5.713 ( -0.209 -0.439 4.755) 4.780 5.881 ( -8.259 -8.199 -1.254) 11.705 5.936 ( 2.687 4.592 -0.517) 5.345 6.002 ( -2.164 3.305 2.657) 4.761 6.023 ( 6.973 6.243 1.238) 9.440 6.082 ( -0.725 0.719 -6.496) 6.576 6.238 ( 2.653 3.085 3.909) 5.642 6.374 ( 6.197 3.855 -4.094) 8.368 6.392 ( -1.753 -0.181 -0.406) 1.808 6.424 ( -3.315 3.198 -2.161) 5.087 6.690 ( -4.426 -2.960 -0.738) 5.375 6.704 ( -0.656 -3.707 -1.204) 3.952 6.861 ( 1.610 0.137 1.621) 2.289 6.914 ( -0.267 -1.989 -2.433) 3.154 6.993 ( 1.720 6.300 5.428) 8.492 7.042 ( 0.026 4.799 0.741) 4.856 7.138 ( 7.781 5.160 3.504) 9.972 7.183 ( -10.862 4.177 -0.075) 11.637 7.236 ( -1.218 0.467 -0.734) 1.497 7.352 ( 0.720 -0.332 -4.972) 5.035 7.626 ( 2.192 11.813 -0.750) 12.038 7.706 ( -0.346 3.860 -4.573) 5.994 7.783 ( 1.693 4.426 0.626) 4.780 7.850 ( 2.029 8.038 -3.378) 8.952 7.869 ( -2.317 6.591 1.479) 7.141 7.955 ( 0.616 3.591 -4.512) 5.800 8.123 ( 4.290 2.866 4.180) 6.640 8.231 ( -3.904 5.943 -3.540) 7.943 8.232 ( -0.935 6.769 6.069) 9.140 8.360 ( -0.306 8.270 -1.954) 8.503 8.520 ( -5.258 -1.031 3.361) 6.325 8.587 ( 2.749 2.493 -4.211) 5.613 8.623 ( 2.684 3.981 3.283) 5.816 8.713 ( 0.391 0.148 -2.929) 2.959 8.914 ( -0.935 4.877 1.939) 5.330 8.990 ( 0.440 8.863 -3.610) 9.580 9.097 ( 5.650 3.093 5.116) 8.225 9.204 ( -2.682 5.927 -4.068) 7.673 9.458 ( -0.622 5.227 -0.103) 5.265 9.493 ( -0.456 8.194 -3.901) 9.087 10.115 ( -2.785 -6.273 4.289) 8.093 10.160 ( 7.859 -2.643 -0.541) 8.309 10.251 ( -2.573 -4.274 4.652) 6.821 10.364 ( -0.858 0.676 -2.331) 2.575 10.474 ( 2.328 -1.473 3.422) 4.393 10.644 ( -5.144 -4.441 -5.995) 9.062 10.707 ( -0.914 -1.264 0.918) 1.810 10.772 ( 1.768 2.011 -4.317) 5.080 10.924 ( 5.093 -7.261 7.301) 11.488 11.034 ( -8.039 -4.210 -0.676) 9.100 11.124 ( 6.978 2.739 -1.846) 7.721 11.133 ( -1.593 -3.275 -3.863) 5.309 11.261 ( -0.939 -4.799 1.255) 5.048 11.324 ( -1.016 -2.728 -3.643) 4.664 11.544 ( -1.120 -12.242 1.690) 12.409 11.599 ( 2.354 -9.714 -4.428) 10.932 12.004 ( 0.471 -3.134 1.064) 3.343 12.056 ( -3.719 -0.734 -4.271) 5.711 12.267 ( 3.576 -6.594 3.390) 8.231 12.319 ( 1.561 -0.724 -1.239) 2.120 12.411 ( -2.389 6.558 -1.236) 7.088 12.476 ( -3.874 8.709 -7.543) 12.155 12.710 ( -3.165 5.860 1.967) 6.945 12.753 ( 4.190 7.118 -1.913) 8.478 12.793 ( 2.194 5.778 1.092) 6.276 12.822 ( -2.159 4.303 0.031) 4.814 12.888 ( -0.585 8.310 2.734) 8.768 12.956 ( 0.499 9.021 -0.931) 9.083 13.042 ( 1.608 5.341 0.211) 5.582 13.080 ( -0.671 5.315 -1.322) 5.517 13.198 ( -0.366 1.075 2.616) 2.852 13.280 ( 0.242 0.229 -3.685) 3.700 14.379 ( -0.640 0.432 -0.318) 0.835 14.389 ( 0.437 1.444 -1.349) 2.024 14.455 ( 3.477 -1.454 1.122) 3.932 14.478 ( -1.531 -1.447 -0.856) 2.274 14.673 ( 0.548 2.122 1.493) 2.652 14.714 ( -0.808 2.751 -1.631) 3.298 15.136 ( 1.112 -3.267 0.937) 3.576 15.159 ( -0.439 -1.296 -1.051) 1.725 15.196 ( -2.340 -3.037 -0.500) 3.867 15.207 ( 1.379 3.793 -2.673) 4.841 16.959 ( -6.620 -58.314 31.137) 66.437 17.327 ( 5.345 -49.947 -6.747) 50.683 18.145 ( 0.906 4.042 -0.302) 4.153 18.153 ( -5.043 2.181 -0.771) 5.548 18.321 ( 5.383 1.871 2.553) 6.245 18.372 ( 1.634 -2.072 -1.620) 3.097 18.392 ( 0.300 1.097 0.315) 1.180 18.414 ( -1.678 1.220 -1.476) 2.546 18.513 ( -0.727 0.526 1.266) 1.552 18.529 ( -0.575 0.474 0.114) 0.754 18.857 ( 0.149 -2.588 0.365) 2.618 18.873 ( 0.321 -2.485 -0.877) 2.655 18.975 ( -0.344 0.989 2.376) 2.596 19.034 ( -0.572 1.267 -2.707) 3.043 20.362 ( -0.511 34.237 9.156) 35.444 20.739 ( 0.860 36.519 -26.908) 45.369 21.262 ( 1.764 -0.066 7.307) 7.517 21.447 ( -2.188 0.383 -7.390) 7.717 23.152 ( 2.414 0.817 1.612) 3.015 23.198 ( -2.981 -0.265 -2.078) 3.643 23.329 ( 2.446 -0.988 1.815) 3.202 23.367 ( -1.264 -1.089 -1.363) 2.155 23.436 ( -0.860 -2.283 1.996) 3.152 23.483 ( 1.611 -2.905 -1.825) 3.790 23.765 ( -2.102 -8.094 8.682) 12.055 23.879 ( 1.700 -4.224 -2.655) 5.270 ======================= Grid point 72 (28/50) ======================= q-point: ( 0.17 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( 3.382 7.271 9.328) 12.300 1.172 ( 7.350 7.276 1.160) 10.407 1.203 ( 3.874 10.138 -9.925) 14.707 1.306 ( 8.785 14.786 -0.401) 17.204 1.768 ( -0.764 6.442 -4.045) 7.646 1.847 ( -3.139 7.626 -2.108) 8.512 1.979 ( 5.748 14.250 17.602) 23.365 2.042 ( -3.607 2.016 -0.412) 4.152 2.106 ( 2.037 0.431 0.272) 2.099 2.144 ( 6.576 1.093 -5.657) 8.743 2.234 ( -1.509 -0.784 0.530) 1.781 2.260 ( 2.010 0.387 1.967) 2.838 2.347 ( -1.703 2.766 0.122) 3.251 2.441 ( -0.833 0.838 -1.535) 1.937 2.474 ( -1.740 1.602 -1.038) 2.582 2.546 ( 2.903 -0.701 -2.169) 3.691 2.582 ( -1.189 -4.845 0.627) 5.028 2.621 ( -0.488 -0.953 0.741) 1.303 2.687 ( -4.151 -1.398 -0.810) 4.454 2.712 ( 1.190 2.816 -0.632) 3.122 2.782 ( 1.155 0.718 -3.120) 3.404 2.851 ( -1.878 -4.720 -1.753) 5.373 2.859 ( -1.061 1.246 0.367) 1.677 2.890 ( -2.440 -9.359 4.037) 10.480 2.976 ( -2.957 0.522 -1.749) 3.475 3.057 ( -0.090 2.292 3.455) 4.147 3.077 ( 5.138 -7.975 -6.284) 11.379 3.146 ( -0.073 -1.555 -2.285) 2.765 3.209 ( -1.541 0.525 3.575) 3.928 3.290 ( 2.229 -0.441 -0.042) 2.273 3.304 ( -2.178 0.200 3.053) 3.755 3.378 ( -0.962 -4.628 -3.499) 5.881 3.410 ( 8.216 2.795 1.359) 8.784 3.558 ( -3.874 -2.925 -1.336) 5.035 3.601 ( 0.002 -5.335 2.016) 5.703 3.614 ( 3.176 -7.998 -0.279) 8.610 3.687 ( 6.417 -4.367 -3.045) 8.338 3.727 ( 0.466 -2.642 8.549) 8.960 3.782 ( 0.381 -9.946 0.951) 9.999 3.850 ( -0.423 -10.349 -5.048) 11.523 3.916 ( 3.631 -2.741 -3.720) 5.876 3.942 ( 1.922 -7.317 0.995) 7.630 4.107 ( -5.738 -5.710 1.975) 8.333 4.177 ( 0.634 0.939 5.945) 6.052 4.207 ( -1.932 -7.275 -0.686) 7.558 4.271 ( -8.495 -5.027 0.456) 9.882 4.305 ( 0.022 -3.110 -2.636) 4.077 4.336 ( -10.058 -2.864 3.035) 10.890 4.388 ( -3.481 -3.609 -0.758) 5.072 4.451 ( -5.895 4.648 -0.937) 7.565 4.517 ( 1.132 0.951 -2.838) 3.200 4.534 ( -3.103 0.235 -5.065) 5.945 4.645 ( -7.210 2.975 1.602) 7.963 4.692 ( -0.542 2.289 -3.202) 3.973 4.702 ( -5.325 0.046 4.478) 6.957 4.791 ( 4.369 2.038 7.332) 8.775 4.804 ( 2.651 0.066 -3.984) 4.786 4.836 ( 0.348 -2.275 -2.514) 3.409 4.871 ( -2.768 0.006 2.542) 3.758 5.010 ( -3.901 1.506 1.925) 4.604 5.059 ( 0.759 4.984 2.707) 5.722 5.118 ( -1.151 1.519 -1.267) 2.289 5.159 ( -1.701 0.730 -2.718) 3.288 5.191 ( -1.956 4.276 3.585) 5.913 5.204 ( 1.156 1.610 -8.404) 8.635 5.297 ( 4.896 1.185 3.221) 5.979 5.312 ( -2.472 2.140 -3.989) 5.158 5.400 ( 1.061 2.248 7.838) 8.223 5.424 ( -0.890 3.662 -3.559) 5.184 5.529 ( 0.363 5.811 -0.454) 5.840 5.652 ( 2.836 -1.294 -3.791) 4.908 5.690 ( 0.568 -0.459 0.947) 1.196 5.777 ( 4.606 -2.120 2.604) 5.700 5.866 ( -0.919 2.678 5.573) 6.251 5.905 ( -2.236 4.204 -0.814) 4.830 5.994 ( 0.919 -2.933 -1.986) 3.660 6.055 ( 3.383 -2.941 2.364) 5.068 6.150 ( 5.527 2.475 -2.674) 6.620 6.277 ( -3.513 4.995 -2.845) 6.736 6.341 ( 1.992 2.733 -4.564) 5.680 6.414 ( 3.586 3.519 0.580) 5.058 6.473 ( 6.528 -0.953 2.567) 7.079 6.672 ( 2.596 -2.539 3.820) 5.271 6.780 ( 2.628 -3.060 2.948) 4.996 6.864 ( -2.204 -1.596 -1.509) 3.111 6.895 ( 1.274 0.378 -1.152) 1.758 6.991 ( -2.360 4.239 2.138) 5.302 7.034 ( 0.648 0.898 -4.933) 5.056 7.174 ( 2.918 -1.941 1.852) 3.963 7.258 ( 2.850 -1.018 0.598) 3.085 7.374 ( 12.593 0.822 6.206) 14.063 7.499 ( 14.973 -0.021 3.458) 15.368 7.662 ( -0.295 2.708 -2.258) 3.538 7.701 ( 9.184 7.345 -4.177) 12.479 7.809 ( -0.248 5.470 -2.800) 6.150 7.836 ( 4.324 4.756 -1.710) 6.651 7.861 ( -1.799 6.650 2.184) 7.227 7.916 ( 0.943 7.167 -1.972) 7.493 8.142 ( 2.596 3.031 -3.382) 5.231 8.257 ( 4.421 1.613 4.123) 6.256 8.304 ( -0.372 8.199 1.439) 8.333 8.326 ( 1.789 10.170 0.273) 10.330 8.479 ( -3.216 -2.641 3.477) 5.423 8.621 ( 3.520 5.564 -0.964) 6.655 8.652 ( 0.199 0.492 -4.293) 4.325 8.737 ( 5.400 4.259 1.032) 6.954 8.951 ( 2.320 2.302 0.909) 3.393 8.973 ( 0.519 7.587 -1.526) 7.757 9.087 ( -2.064 6.347 -4.432) 8.012 9.221 ( 3.639 4.880 1.674) 6.313 9.361 ( -3.011 13.834 3.030) 14.478 9.640 ( 10.271 1.672 -2.398) 10.679 9.970 ( -14.299 -6.373 1.980) 15.779 10.135 ( -9.561 -5.964 -4.423) 12.106 10.239 ( -1.510 -4.013 -1.364) 4.500 10.280 ( -9.106 1.968 0.284) 9.320 10.422 ( -6.858 -2.587 0.941) 7.390 10.573 ( -5.605 2.141 3.236) 6.817 10.635 ( -9.993 1.627 -0.759) 10.153 10.695 ( -1.610 2.031 0.000) 2.591 10.923 ( -3.341 -4.633 0.444) 5.730 11.030 ( -0.188 -5.619 -3.601) 6.676 11.065 ( 0.954 -6.728 2.830) 7.361 11.249 ( 4.657 0.806 -1.710) 5.026 11.313 ( 4.025 -4.700 -0.291) 6.195 11.354 ( 8.950 -2.093 3.359) 9.786 11.614 ( 6.342 -11.842 0.451) 13.441 11.679 ( 10.865 -9.857 -2.074) 14.816 11.933 ( -4.879 -5.504 1.489) 7.505 12.085 ( 1.569 2.519 1.790) 3.466 12.229 ( -3.946 -1.148 -3.903) 5.667 12.296 ( -2.541 -8.022 -0.780) 8.451 12.411 ( 2.465 0.439 2.404) 3.471 12.505 ( 3.437 7.446 3.106) 8.769 12.664 ( -1.999 7.388 0.321) 7.660 12.749 ( -3.322 4.583 0.089) 5.661 12.796 ( 2.256 8.225 -1.180) 8.610 12.865 ( 2.583 5.431 0.467) 6.032 12.883 ( -0.945 10.040 0.246) 10.087 12.967 ( 0.419 4.823 -0.447) 4.862 13.027 ( -0.954 6.849 -3.136) 7.593 13.075 ( 0.044 5.683 1.809) 5.964 13.226 ( -0.703 0.711 1.192) 1.555 13.242 ( 0.304 1.108 -1.209) 1.668 14.378 ( 0.835 -0.559 -0.423) 1.090 14.402 ( 1.887 0.385 0.083) 1.927 14.487 ( 3.782 -2.651 0.700) 4.671 14.571 ( 8.376 -1.851 -2.638) 8.974 14.709 ( 2.405 1.852 -0.967) 3.186 14.747 ( 6.092 2.596 1.286) 6.746 15.115 ( -1.701 -2.534 -0.295) 3.066 15.156 ( -1.204 0.188 0.452) 1.299 15.199 ( 3.776 1.557 0.798) 4.161 15.278 ( 7.782 -4.748 -0.005) 9.116 16.758 ( -36.514 -41.340 8.457) 55.802 16.982 ( -35.252 -34.406 -6.853) 49.733 18.003 ( -3.180 3.158 1.838) 4.844 18.159 ( -5.127 6.834 0.205) 8.546 18.281 ( -1.680 -2.221 -1.113) 3.000 18.339 ( 1.239 0.583 -1.543) 2.063 18.429 ( 0.907 -0.565 -0.337) 1.120 18.486 ( 1.250 -0.732 0.283) 1.476 18.553 ( 3.228 2.660 -0.087) 4.184 18.563 ( 3.040 -0.253 0.722) 3.135 18.840 ( -1.114 -1.734 -0.377) 2.095 18.867 ( -0.465 -3.139 -0.074) 3.175 19.000 ( 1.157 2.612 -0.471) 2.896 19.042 ( 1.342 0.799 1.308) 2.037 20.613 ( 17.434 21.120 2.984) 27.548 20.792 ( 21.097 22.612 -3.566) 31.130 21.297 ( -4.472 -0.222 -7.184) 8.465 21.383 ( 1.483 0.218 7.375) 7.525 23.133 ( -1.382 -0.410 -1.000) 1.754 23.176 ( -2.811 -0.321 0.244) 2.840 23.367 ( 2.183 -1.207 -0.644) 2.576 23.381 ( 0.100 -1.337 0.456) 1.416 23.449 ( 2.345 -1.980 1.203) 3.296 23.476 ( 1.505 -1.544 -2.167) 3.057 23.771 ( -5.493 -4.739 5.369) 9.025 23.847 ( -0.691 -4.047 -4.346) 5.978 ======================= Grid point 74 (29/50) ======================= q-point: ( 0.33 0.11 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.149 ( 16.178 8.373 -7.709) 19.780 1.248 ( 15.927 9.120 -11.112) 21.456 1.439 ( 6.190 0.532 11.709) 13.255 1.580 ( 2.193 7.142 13.165) 15.138 1.664 ( -2.549 7.106 3.043) 8.139 1.711 ( -8.896 6.979 -1.486) 11.404 1.861 ( -10.706 -0.559 -4.993) 11.826 2.079 ( -3.892 0.654 2.456) 4.649 2.142 ( 4.079 9.894 -5.149) 11.876 2.186 ( 0.563 -1.273 -8.555) 8.668 2.229 ( 4.705 6.029 4.540) 8.894 2.327 ( -2.011 -0.474 0.429) 2.110 2.357 ( -1.973 -3.225 0.465) 3.809 2.421 ( -0.982 5.019 0.991) 5.209 2.447 ( 9.358 0.649 -4.301) 10.319 2.548 ( -4.478 -4.018 -0.239) 6.021 2.600 ( 1.117 0.475 -1.550) 1.969 2.635 ( 0.268 -0.635 0.177) 0.712 2.674 ( 4.230 -6.422 1.859) 7.911 2.701 ( 3.397 0.715 -1.500) 3.781 2.797 ( -2.013 1.227 1.974) 3.075 2.832 ( 2.375 -3.382 -2.478) 4.819 2.903 ( 5.990 0.158 6.261) 8.666 2.942 ( 1.181 -3.915 -3.235) 5.214 2.990 ( -1.840 -1.568 -7.508) 7.887 3.030 ( 6.963 -0.408 1.987) 7.253 3.101 ( -0.173 -1.079 6.561) 6.651 3.125 ( -1.758 0.481 -2.109) 2.787 3.240 ( -5.430 -0.566 3.018) 6.238 3.269 ( 2.182 -0.137 4.751) 5.229 3.306 ( 0.444 -1.276 -0.562) 1.463 3.389 ( 1.817 1.579 1.303) 2.738 3.491 ( 3.080 3.019 -3.475) 5.539 3.536 ( -0.110 -3.705 -1.143) 3.879 3.591 ( -5.519 -4.561 2.674) 7.642 3.612 ( 5.133 -11.914 -6.892) 14.690 3.731 ( -1.313 -5.701 -0.067) 5.851 3.791 ( 1.878 -8.058 2.422) 8.621 3.818 ( 0.058 -10.902 1.625) 11.022 3.840 ( -0.437 -1.171 0.671) 1.418 3.930 ( -13.600 -5.545 -2.742) 14.941 4.012 ( -0.653 -0.794 8.384) 8.446 4.036 ( -1.015 -3.118 1.044) 3.441 4.060 ( 3.447 -2.627 -1.274) 4.518 4.087 ( -8.784 -6.751 -1.042) 11.128 4.134 ( -7.500 -3.259 0.360) 8.185 4.244 ( -6.041 -5.212 3.679) 8.786 4.276 ( -8.093 -2.904 1.362) 8.705 4.323 ( 2.332 4.656 3.479) 6.263 4.333 ( -3.858 4.230 -0.226) 5.730 4.462 ( -1.881 -1.275 -1.777) 2.884 4.543 ( 1.209 1.162 -1.164) 2.041 4.615 ( -2.553 -0.510 -0.784) 2.719 4.628 ( -2.225 -2.975 -0.479) 3.746 4.717 ( 2.174 2.857 -2.225) 4.224 4.743 ( 1.427 2.059 -2.265) 3.378 4.818 ( -0.828 2.529 -2.768) 3.840 4.847 ( 1.167 -1.247 -1.897) 2.553 4.930 ( -2.180 0.432 0.982) 2.430 4.977 ( -1.662 5.927 2.691) 6.718 5.058 ( -2.127 5.603 0.028) 5.993 5.080 ( 1.247 2.236 -3.018) 3.957 5.137 ( 0.203 -0.872 -2.427) 2.587 5.182 ( 0.508 -2.466 2.742) 3.722 5.221 ( 2.567 -2.725 1.143) 3.914 5.253 ( -1.502 -0.646 3.029) 3.442 5.369 ( 2.977 9.557 -4.738) 11.075 5.418 ( 4.737 1.208 -0.729) 4.942 5.476 ( -0.474 4.455 -0.634) 4.525 5.515 ( -3.879 3.327 1.180) 5.244 5.603 ( 1.407 -0.095 -1.657) 2.176 5.710 ( 0.408 -0.077 -0.067) 0.421 5.751 ( -2.542 0.840 -3.806) 4.653 5.838 ( 1.035 2.286 -4.211) 4.902 5.972 ( 1.708 4.285 1.309) 4.795 6.035 ( 0.923 -3.044 1.102) 3.366 6.086 ( -2.038 -2.775 2.169) 4.069 6.221 ( 2.071 -0.071 4.637) 5.079 6.277 ( 6.691 2.470 0.509) 7.150 6.349 ( -0.642 6.465 3.111) 7.203 6.472 ( 3.925 0.519 -0.330) 3.973 6.575 ( 2.106 -3.713 2.061) 4.740 6.738 ( 1.820 0.696 -0.566) 2.029 6.776 ( -3.729 1.444 -1.528) 4.281 6.817 ( -2.316 -1.281 2.133) 3.400 6.902 ( 1.629 -0.302 -3.359) 3.745 6.998 ( 1.118 1.212 1.681) 2.355 7.065 ( 5.816 1.105 -3.276) 6.766 7.209 ( -0.227 -4.135 1.330) 4.349 7.272 ( -1.385 -5.526 0.898) 5.767 7.558 ( 2.492 5.544 4.379) 7.491 7.641 ( 1.076 0.196 -0.761) 1.332 7.702 ( -1.921 3.812 -1.988) 4.709 7.740 ( 1.974 -2.867 2.540) 4.309 7.807 ( -0.336 0.922 4.105) 4.221 7.835 ( -0.466 3.989 -0.230) 4.023 7.880 ( 2.023 5.295 -0.005) 5.668 8.052 ( 14.393 1.339 -3.303) 14.828 8.197 ( 3.328 4.808 -4.742) 7.529 8.318 ( -1.054 3.747 -3.527) 5.253 8.364 ( 5.875 -0.494 2.680) 6.476 8.410 ( 6.883 -5.698 0.433) 8.946 8.513 ( 3.464 0.338 2.163) 4.097 8.618 ( 0.684 1.003 1.252) 1.744 8.702 ( 4.347 8.022 1.885) 9.317 8.846 ( 7.471 10.815 -0.709) 13.164 8.938 ( -0.286 2.860 0.872) 3.004 9.034 ( 4.522 4.273 1.255) 6.347 9.116 ( 7.312 7.547 1.440) 10.606 9.263 ( 2.639 9.102 0.345) 9.483 9.393 ( -4.291 6.794 1.804) 8.236 9.565 ( -7.113 2.502 -8.575) 11.419 9.868 ( -7.307 -9.019 3.133) 12.022 9.918 ( -8.943 -2.016 2.727) 9.565 10.071 ( -10.274 5.323 -4.561) 12.437 10.152 ( -6.069 0.511 -3.684) 7.118 10.300 ( -3.503 -0.269 -6.277) 7.193 10.433 ( -8.916 9.761 2.056) 13.379 10.543 ( -2.748 0.490 5.124) 5.835 10.752 ( -0.983 -2.360 8.969) 9.326 10.893 ( -1.691 -5.600 1.251) 5.982 10.984 ( 1.783 -8.036 -6.429) 10.444 11.108 ( -0.931 -5.385 4.324) 6.969 11.266 ( 1.939 -2.215 -2.619) 3.940 11.378 ( 4.706 -6.098 -1.226) 7.800 11.562 ( 6.150 -4.397 1.012) 7.628 11.704 ( 1.989 -3.017 2.415) 4.346 11.828 ( 4.911 -6.863 -0.889) 8.486 11.902 ( 4.140 -6.888 -0.866) 8.083 12.088 ( 0.625 -5.063 0.524) 5.128 12.194 ( 0.128 -6.575 1.002) 6.653 12.235 ( -3.582 -6.861 0.873) 7.788 12.476 ( -1.651 2.528 2.565) 3.962 12.512 ( -1.616 3.171 1.780) 3.980 12.682 ( -2.224 4.958 -0.803) 5.492 12.696 ( 0.225 5.983 -2.959) 6.678 12.825 ( 3.449 7.202 -1.292) 8.089 12.874 ( -0.472 9.049 0.756) 9.093 12.902 ( 2.181 9.314 -1.149) 9.635 12.945 ( -1.250 6.845 0.320) 6.965 13.010 ( 2.466 5.597 -0.890) 6.181 13.090 ( -1.589 5.716 3.405) 6.840 13.218 ( -0.789 0.897 0.892) 1.491 13.250 ( -0.010 2.909 0.399) 2.936 14.398 ( 1.636 -1.695 0.110) 2.359 14.435 ( 1.580 -0.543 -0.080) 1.672 14.583 ( 2.200 -5.177 4.302) 7.081 14.650 ( 5.275 -2.248 -3.456) 6.695 14.780 ( 5.713 1.138 1.809) 6.100 14.887 ( 8.157 0.241 2.315) 8.483 15.085 ( -2.307 -1.627 -0.176) 2.829 15.163 ( -0.742 2.145 4.266) 4.832 15.358 ( 13.398 -4.324 1.440) 14.152 15.433 ( 13.797 -6.077 -2.355) 15.259 16.034 ( -34.567 -7.821 -18.617) 40.033 16.379 ( -36.750 -23.192 5.650) 43.822 17.990 ( -2.344 2.181 1.869) 3.708 18.081 ( -2.619 7.317 -1.490) 7.913 18.283 ( 2.769 -4.030 -0.210) 4.894 18.347 ( -0.277 -0.538 0.168) 0.628 18.412 ( -0.917 -0.769 -0.763) 1.419 18.510 ( 0.345 -0.232 1.910) 1.955 18.575 ( 0.832 2.310 -2.161) 3.271 18.606 ( 1.556 2.929 -0.110) 3.318 18.818 ( -0.216 -3.772 -0.439) 3.804 18.867 ( -0.296 -1.628 0.195) 1.666 19.012 ( 1.128 2.552 -0.506) 2.836 19.066 ( -0.337 2.589 0.987) 2.791 20.854 ( 16.140 10.312 -8.024) 20.766 21.126 ( -0.524 -3.598 1.027) 3.778 21.182 ( 3.305 4.141 9.740) 11.088 21.466 ( 0.868 0.561 3.742) 3.882 23.086 ( -3.049 -2.197 0.163) 3.762 23.163 ( 1.839 1.093 -0.464) 2.190 23.344 ( -2.963 -1.213 -0.465) 3.235 23.352 ( -2.042 -2.886 -0.390) 3.556 23.496 ( 3.886 -0.356 -1.530) 4.191 23.564 ( 7.106 -0.723 -0.308) 7.149 23.729 ( -5.905 -2.670 4.360) 7.811 23.778 ( -0.621 -2.048 -5.050) 5.484 ======================= Grid point 75 (30/50) ======================= q-point: (-0.50 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -7.368 8.003 -0.240) 10.880 1.373 ( -11.140 8.660 -2.958) 14.417 1.449 ( 11.443 1.000 -3.907) 12.132 1.472 ( 5.552 5.191 -2.798) 8.100 1.693 ( 2.045 3.374 5.519) 6.784 1.758 ( 0.958 3.233 0.478) 3.405 1.901 ( 4.858 5.931 9.539) 12.238 2.000 ( -7.107 -0.387 4.795) 8.582 2.115 ( -1.448 -0.927 -2.563) 3.086 2.164 ( -2.671 7.616 -1.621) 8.232 2.269 ( 4.272 -0.920 -2.002) 4.807 2.281 ( -0.641 0.595 -0.913) 1.264 2.357 ( -1.101 0.251 -0.478) 1.227 2.454 ( 2.662 0.054 -1.155) 2.902 2.481 ( -2.213 -5.587 3.596) 7.003 2.545 ( 4.333 -1.582 -3.824) 5.992 2.641 ( -6.259 1.380 2.754) 6.976 2.650 ( 1.055 0.172 1.667) 1.980 2.687 ( -6.040 -0.307 -0.445) 6.065 2.727 ( 4.309 -6.074 -1.855) 7.675 2.796 ( -4.439 -0.964 -0.378) 4.558 2.861 ( -0.228 0.182 -2.101) 2.121 2.892 ( -12.157 4.321 -0.849) 12.930 2.924 ( 2.360 -4.751 -2.262) 5.767 2.968 ( 12.607 3.183 -5.039) 13.945 2.989 ( 4.945 2.051 -4.219) 6.816 3.128 ( 1.978 0.622 0.305) 2.096 3.153 ( 4.808 1.907 -1.348) 5.345 3.230 ( -1.124 -2.070 4.769) 5.319 3.297 ( -0.857 -0.236 1.094) 1.409 3.385 ( 0.245 1.740 1.437) 2.270 3.425 ( -0.563 -0.384 -1.907) 2.025 3.515 ( -4.495 -3.005 1.926) 5.740 3.525 ( 4.637 -2.612 3.089) 6.153 3.553 ( -4.104 -3.948 2.290) 6.138 3.605 ( 5.100 0.161 -4.053) 6.516 3.669 ( 3.447 -8.889 1.433) 9.641 3.720 ( -6.491 -4.900 -0.830) 8.175 3.829 ( 3.292 -4.732 -3.883) 6.951 3.847 ( -5.882 -1.867 -3.107) 6.909 3.920 ( 1.733 -9.416 4.949) 10.778 3.943 ( 2.199 -7.739 1.097) 8.119 4.005 ( -0.611 -3.231 7.114) 7.837 4.066 ( -5.577 -4.499 -0.992) 7.233 4.093 ( 1.726 -6.445 6.186) 9.099 4.156 ( -0.799 -5.524 2.107) 5.966 4.192 ( -7.199 -0.219 -4.087) 8.281 4.227 ( 0.854 -4.006 -0.065) 4.096 4.284 ( 0.385 -3.185 6.449) 7.203 4.429 ( 2.214 2.379 1.176) 3.457 4.469 ( 2.593 1.366 3.292) 4.407 4.501 ( 3.371 -0.773 -3.574) 4.973 4.592 ( -1.173 2.174 -1.353) 2.816 4.607 ( 2.337 2.998 0.386) 3.821 4.650 ( -5.974 4.187 -1.661) 7.482 4.716 ( 1.034 3.589 -4.898) 6.159 4.825 ( -0.278 3.277 -4.022) 5.195 4.860 ( 5.029 3.971 -1.690) 6.627 4.891 ( 0.028 -3.686 0.645) 3.742 4.950 ( -1.807 3.983 -0.905) 4.466 5.023 ( -1.962 -0.806 0.956) 2.326 5.063 ( 0.764 1.011 -1.927) 2.306 5.123 ( -1.576 -4.478 0.351) 4.760 5.201 ( 0.243 -0.879 -5.204) 5.283 5.266 ( 1.152 1.267 3.677) 4.057 5.313 ( 0.998 -0.059 5.599) 5.687 5.362 ( -0.480 5.218 -1.572) 5.470 5.408 ( -2.655 5.024 0.040) 5.682 5.447 ( -0.700 4.496 -1.728) 4.868 5.496 ( 3.978 -1.053 -2.166) 4.650 5.636 ( 1.980 -1.491 -1.655) 2.980 5.690 ( -1.950 0.781 -4.097) 4.604 5.744 ( 2.915 2.734 1.416) 4.240 5.784 ( -1.256 4.202 -2.451) 5.024 5.997 ( 1.122 -2.568 0.572) 2.860 6.022 ( -3.224 -2.092 -1.206) 4.028 6.106 ( 1.429 3.485 6.595) 7.595 6.259 ( -2.906 4.084 -4.193) 6.535 6.368 ( -0.818 2.774 3.514) 4.551 6.391 ( 4.272 2.243 4.142) 6.359 6.552 ( 2.571 -3.597 3.586) 5.692 6.604 ( -1.575 -3.152 1.484) 3.823 6.720 ( -3.003 1.542 -0.967) 3.512 6.752 ( 2.241 -1.085 -2.221) 3.336 6.779 ( -2.497 1.559 1.665) 3.382 6.869 ( 0.794 1.821 -4.690) 5.093 7.028 ( -1.058 5.111 1.930) 5.565 7.101 ( 2.428 4.081 -3.567) 5.939 7.192 ( -5.472 -6.908 4.740) 10.007 7.279 ( 3.426 -8.636 -1.706) 9.446 7.574 ( -5.472 7.151 2.081) 9.241 7.649 ( 2.814 4.844 -2.946) 6.329 7.691 ( 1.959 1.768 2.925) 3.939 7.729 ( -1.977 -0.165 0.669) 2.093 7.822 ( -2.104 3.061 2.008) 4.222 7.855 ( 1.206 3.357 -0.591) 3.616 7.964 ( 3.052 1.297 8.176) 8.823 8.159 ( 1.950 0.348 -1.570) 2.527 8.186 ( -3.506 0.627 -9.368) 10.022 8.217 ( 3.562 7.135 -4.194) 9.010 8.446 ( -2.191 0.702 4.776) 5.302 8.485 ( -1.654 -8.098 -0.674) 8.292 8.538 ( 2.392 -5.226 -0.731) 5.794 8.602 ( -2.718 -1.520 -3.341) 4.568 8.813 ( 2.382 8.852 5.189) 10.533 8.889 ( -0.675 12.332 -1.265) 12.415 9.023 ( 3.752 -0.482 3.863) 5.406 9.064 ( -2.937 3.067 0.021) 4.246 9.229 ( -2.289 7.600 -0.054) 7.938 9.267 ( -4.584 8.771 -2.197) 10.137 9.372 ( 5.342 -1.073 4.405) 7.007 9.459 ( 4.607 0.049 -3.269) 5.649 9.719 ( -8.124 1.709 -1.376) 8.415 9.762 ( 2.237 -2.134 -3.738) 4.851 10.097 ( 5.969 3.629 1.232) 7.094 10.123 ( 6.656 7.624 3.918) 10.852 10.176 ( -1.299 -2.813 -6.992) 7.648 10.248 ( -8.208 8.915 -5.241) 13.203 10.705 ( 4.669 2.039 11.588) 12.659 10.787 ( -5.103 -4.925 5.817) 9.173 10.889 ( -0.887 -4.982 0.806) 5.124 10.958 ( 3.108 -7.554 -5.182) 9.673 11.134 ( -1.026 -3.965 3.665) 5.495 11.254 ( 1.266 -3.126 -5.491) 6.444 11.427 ( 0.428 -4.380 1.070) 4.529 11.494 ( -3.708 -2.417 -4.459) 6.283 11.784 ( 1.188 -4.156 3.289) 5.431 11.832 ( -0.926 -5.061 -0.684) 5.190 12.031 ( 7.078 -10.420 0.545) 12.609 12.059 ( -6.101 -8.979 -1.802) 11.004 12.216 ( 0.826 -8.088 4.236) 9.168 12.264 ( 1.634 -13.456 1.696) 13.660 12.433 ( -1.245 11.334 2.919) 11.770 12.546 ( -1.654 3.416 2.488) 4.538 12.595 ( -0.152 5.823 -5.813) 8.229 12.639 ( -0.279 4.548 -4.291) 6.259 12.840 ( -4.139 5.444 0.556) 6.861 12.876 ( 4.379 6.266 -2.351) 7.998 12.919 ( -0.511 10.344 0.582) 10.373 12.938 ( 0.590 11.445 -0.586) 11.475 13.088 ( -2.332 4.494 3.168) 5.972 13.093 ( 2.996 4.671 2.602) 6.129 13.221 ( -0.382 1.918 1.390) 2.399 13.247 ( 0.171 3.335 -0.739) 3.420 14.423 ( 0.444 -1.822 0.779) 2.030 14.441 ( -0.326 -1.162 -0.707) 1.399 14.615 ( -2.543 -3.656 2.816) 5.269 14.677 ( 2.454 -2.094 -2.669) 4.187 14.926 ( 5.664 -2.048 5.290) 8.016 14.997 ( -4.088 -4.517 -0.027) 6.093 15.082 ( 5.099 -0.725 6.754) 8.494 15.215 ( -3.866 1.518 7.893) 8.919 15.388 ( -12.174 -1.749 -13.248) 18.077 15.509 ( 7.165 -9.372 -12.254) 17.010 15.831 ( 22.149 -6.826 3.389) 23.423 15.868 ( -20.260 -10.103 -0.139) 22.640 17.977 ( -1.868 3.106 2.728) 4.536 18.044 ( 0.911 4.970 -2.524) 5.648 18.328 ( -2.369 -2.088 0.536) 3.203 18.337 ( 3.446 -3.157 -0.474) 4.697 18.410 ( 0.092 0.869 2.250) 2.414 18.519 ( 0.521 1.301 -4.873) 5.070 18.554 ( -1.508 1.165 2.936) 3.501 18.611 ( 0.376 3.535 -1.397) 3.819 18.834 ( 1.714 -4.152 0.607) 4.533 18.852 ( -1.104 -2.111 -0.751) 2.498 19.030 ( 1.001 2.875 0.609) 3.104 19.049 ( -1.570 2.975 -0.596) 3.416 20.974 ( -10.270 0.861 -2.489) 10.603 20.998 ( 9.955 4.675 -4.164) 11.760 21.371 ( 0.334 -2.052 10.331) 10.538 21.497 ( 0.483 -0.131 0.039) 0.502 23.087 ( 1.101 -1.779 2.592) 3.331 23.159 ( -0.223 -0.038 -2.992) 3.001 23.313 ( -0.757 -1.659 0.746) 1.970 23.332 ( 0.657 -2.750 -0.709) 2.915 23.550 ( 2.811 0.807 0.266) 2.936 23.598 ( -2.053 0.448 -2.963) 3.633 23.676 ( -5.804 -2.092 3.849) 7.271 23.757 ( 4.453 -2.148 -2.930) 5.747 ======================= Grid point 77 (31/50) ======================= q-point: (-0.33 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.034 ( -20.696 14.271 1.041) 25.161 1.071 ( -18.091 14.378 4.329) 23.511 1.566 ( 6.634 -0.790 -3.810) 7.691 1.716 ( 9.212 -0.696 2.235) 9.505 1.780 ( 9.451 7.502 -4.105) 12.745 1.845 ( -10.113 4.337 -4.743) 11.982 1.869 ( 1.815 2.030 -0.145) 2.728 1.937 ( -1.765 3.906 2.881) 5.165 1.953 ( -18.133 17.202 -0.126) 24.994 2.085 ( -4.685 -1.451 6.788) 8.374 2.224 ( -3.255 2.711 2.564) 4.951 2.321 ( -3.508 0.347 2.240) 4.177 2.343 ( 2.307 -0.434 0.260) 2.362 2.477 ( 10.843 -1.333 -5.865) 12.399 2.492 ( 2.755 -1.217 -0.391) 3.037 2.563 ( -1.058 0.494 0.882) 1.463 2.568 ( -0.610 -3.672 1.477) 4.004 2.609 ( -5.545 8.482 -2.156) 10.361 2.633 ( 1.149 -7.227 0.164) 7.320 2.718 ( -1.844 -3.000 0.929) 3.641 2.792 ( -1.672 -3.762 -0.706) 4.177 2.822 ( 4.732 -2.046 -0.692) 5.202 2.863 ( -3.065 -3.380 3.327) 5.647 2.893 ( 1.544 -2.308 0.041) 2.777 3.009 ( 2.023 0.323 -3.994) 4.488 3.095 ( -0.419 -2.861 0.216) 2.900 3.145 ( 4.286 -3.995 -3.423) 6.786 3.216 ( -1.462 -0.794 0.651) 1.786 3.297 ( 0.243 -1.357 0.412) 1.439 3.314 ( -2.537 -4.331 -0.922) 5.104 3.348 ( -1.947 0.027 1.589) 2.513 3.429 ( 1.836 3.458 -2.801) 4.814 3.460 ( 1.340 -4.071 0.352) 4.300 3.495 ( 0.135 0.633 -2.332) 2.420 3.529 ( -8.450 -0.879 -1.583) 8.642 3.658 ( 0.683 -2.877 1.845) 3.485 3.734 ( 3.093 -2.591 0.394) 4.054 3.772 ( 3.403 -1.308 -0.163) 3.649 3.781 ( 4.263 -0.605 5.819) 7.238 3.869 ( -0.802 -2.950 -3.012) 4.292 3.888 ( 0.638 -10.376 2.515) 10.695 3.952 ( 2.230 -2.957 -3.932) 5.401 4.056 ( 4.028 -4.842 2.777) 6.883 4.071 ( -0.544 -7.679 5.506) 9.465 4.133 ( 3.923 -9.270 1.363) 10.158 4.159 ( 2.721 -6.718 -2.025) 7.526 4.243 ( -1.676 -3.722 2.954) 5.038 4.262 ( 3.708 -4.607 1.544) 6.112 4.340 ( 1.698 -1.016 -1.704) 2.612 4.438 ( 5.454 -3.289 -0.087) 6.370 4.474 ( -0.554 4.335 -5.763) 7.232 4.515 ( 0.481 8.517 -1.619) 8.683 4.549 ( -0.827 3.157 2.924) 4.382 4.621 ( 3.596 -0.960 2.770) 4.639 4.686 ( 2.433 3.255 1.079) 4.205 4.749 ( -0.030 -2.427 0.389) 2.458 4.781 ( 2.919 4.266 -2.901) 5.928 4.862 ( 0.554 0.181 -4.429) 4.467 4.935 ( 3.446 -0.291 -1.350) 3.712 4.973 ( -0.635 2.248 -0.189) 2.344 5.004 ( 1.241 2.636 4.420) 5.294 5.065 ( 1.450 -0.471 1.280) 1.991 5.123 ( -1.274 -0.501 1.299) 1.887 5.167 ( 0.702 -2.197 -1.548) 2.777 5.254 ( -3.374 1.471 -1.397) 3.937 5.288 ( -2.692 2.242 2.103) 4.086 5.373 ( 0.680 -4.270 -1.286) 4.511 5.394 ( -3.119 5.477 0.227) 6.307 5.468 ( 2.344 4.452 0.280) 5.039 5.525 ( 4.034 6.636 -2.136) 8.054 5.589 ( -1.767 -2.316 1.166) 3.138 5.692 ( 2.337 1.386 -3.013) 4.057 5.721 ( -2.745 2.712 0.078) 3.859 5.774 ( -0.395 4.820 0.126) 4.838 5.999 ( 1.080 1.385 -0.046) 1.757 6.059 ( 3.398 -1.707 3.228) 4.988 6.099 ( -6.749 0.905 -4.220) 8.011 6.194 ( -1.746 6.290 5.360) 8.446 6.342 ( -2.947 -0.734 -1.885) 3.575 6.468 ( 1.564 5.916 -4.188) 7.415 6.525 ( -6.327 -8.466 -2.163) 10.788 6.608 ( -0.488 -4.798 0.067) 4.824 6.640 ( -3.940 -0.260 3.959) 5.591 6.773 ( -1.441 0.810 5.216) 5.471 6.802 ( 3.322 4.589 -1.128) 5.776 6.860 ( 2.601 1.020 -2.057) 3.469 6.997 ( -4.794 4.122 1.896) 6.601 7.069 ( -0.956 1.713 -3.542) 4.049 7.156 ( -4.619 -8.144 3.684) 10.061 7.326 ( 3.469 -4.208 -1.327) 5.613 7.499 ( -6.493 6.373 5.132) 10.446 7.669 ( -6.472 -1.215 0.469) 6.601 7.702 ( 3.433 4.117 -2.236) 5.808 7.756 ( 2.019 0.449 1.098) 2.342 7.794 ( -3.862 2.339 2.324) 5.078 7.874 ( 1.334 5.934 0.192) 6.085 7.996 ( -5.193 -1.397 -9.425) 10.852 8.077 ( -4.919 3.019 1.523) 5.969 8.135 ( -2.174 4.748 -0.805) 5.283 8.194 ( 3.072 8.087 0.352) 8.658 8.366 ( -4.757 -2.761 2.240) 5.939 8.433 ( -9.681 -13.439 -1.255) 16.610 8.467 ( -2.967 5.311 3.646) 7.093 8.639 ( 4.887 1.903 1.177) 5.375 8.783 ( -7.654 9.821 -3.629) 12.970 8.839 ( -5.154 6.876 1.595) 8.740 8.991 ( -1.644 4.474 -2.133) 5.222 9.042 ( -4.570 4.404 0.889) 6.409 9.190 ( -6.167 2.708 -3.008) 7.377 9.275 ( -4.475 12.630 -0.753) 13.420 9.339 ( 3.959 1.114 7.545) 8.593 9.481 ( 10.108 -2.769 -4.630) 11.458 9.899 ( 18.047 -12.882 2.161) 22.278 9.975 ( 1.852 5.297 -2.873) 6.304 10.026 ( 10.703 6.615 -1.995) 12.740 10.112 ( 2.763 0.338 -1.439) 3.134 10.206 ( 5.264 0.475 0.664) 5.327 10.422 ( 15.281 7.641 2.192) 17.226 10.703 ( -5.654 -0.802 -3.651) 6.778 10.827 ( -3.137 -6.267 6.125) 9.308 10.890 ( 2.097 -3.389 -1.247) 4.176 10.964 ( 3.462 -6.280 -3.428) 7.948 11.156 ( -2.074 -3.352 4.310) 5.841 11.200 ( 0.118 -2.568 -3.935) 4.700 11.373 ( -4.126 -3.588 0.481) 5.489 11.506 ( -0.064 -3.938 3.121) 5.025 11.780 ( -4.050 -3.318 -0.900) 5.313 11.802 ( -1.822 -7.491 0.970) 7.770 11.902 ( -7.525 -8.414 -2.381) 11.537 12.089 ( -0.800 -9.258 1.005) 9.347 12.240 ( 2.208 -6.050 -1.159) 6.544 12.283 ( -0.596 -10.030 -2.228) 10.292 12.493 ( 0.918 6.777 3.680) 7.766 12.542 ( 3.259 7.851 1.644) 8.658 12.615 ( 3.327 5.803 -2.009) 6.984 12.636 ( 3.262 3.377 1.837) 5.042 12.769 ( -4.719 5.700 1.654) 7.582 12.892 ( -1.563 8.846 -0.323) 8.989 12.911 ( 1.450 8.763 -1.234) 8.967 12.952 ( 0.783 11.082 0.061) 11.110 13.045 ( -3.261 4.206 -1.580) 5.552 13.138 ( -0.516 5.697 0.084) 5.720 13.219 ( -0.996 2.353 0.609) 2.626 13.267 ( 2.602 1.232 -0.345) 2.899 14.411 ( -1.892 -1.287 -0.764) 2.412 14.427 ( -1.115 -1.304 0.570) 1.808 14.585 ( -4.269 -2.071 2.407) 5.320 14.675 ( 0.432 -3.037 -2.433) 3.916 14.833 ( -9.726 -0.480 -2.598) 10.078 15.005 ( -6.046 -7.314 -1.043) 9.546 15.089 ( 0.349 -0.446 -2.797) 2.854 15.254 ( -1.896 -7.565 7.800) 11.030 15.391 ( -6.856 -0.121 10.434) 12.486 15.433 ( 1.749 -5.439 -20.906) 21.672 15.524 ( 3.378 1.973 10.204) 10.928 16.452 ( 39.823 -19.204 -0.437) 44.214 17.987 ( -0.360 5.158 2.397) 5.699 18.059 ( 3.101 1.435 -0.820) 3.514 18.290 ( -1.602 -3.014 -0.643) 3.473 18.375 ( 1.721 -1.550 -1.159) 2.590 18.447 ( 0.126 1.096 0.315) 1.147 18.466 ( -0.306 1.922 -0.947) 2.164 18.553 ( -2.041 1.319 1.763) 3.002 18.604 ( -0.360 3.285 -0.511) 3.343 18.826 ( -0.111 -3.541 -0.933) 3.664 18.868 ( 1.265 -2.748 0.185) 3.030 19.010 ( -1.919 2.755 -0.271) 3.369 19.064 ( 1.165 2.604 1.089) 3.054 20.735 ( -17.464 8.957 1.112) 19.659 21.097 ( 5.473 0.641 -1.293) 5.661 21.448 ( -0.427 -2.313 2.727) 3.601 21.495 ( 1.908 -1.042 -3.154) 3.830 23.125 ( 1.322 -0.839 -2.812) 3.218 23.141 ( 1.051 -0.965 1.095) 1.798 23.323 ( 1.314 -2.400 0.738) 2.834 23.354 ( 2.397 -1.714 -0.516) 2.992 23.494 ( -5.432 0.818 -1.307) 5.646 23.543 ( -4.994 -0.247 0.182) 5.003 23.651 ( -2.741 -0.898 4.885) 5.673 23.812 ( 5.148 -2.707 -2.787) 6.450 ======================= Grid point 78 (32/50) ======================= q-point: (-0.17 0.11 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.773 ( -14.970 18.776 10.040) 26.028 0.876 ( -13.699 21.380 10.769) 27.581 1.427 ( -18.702 26.815 15.294) 36.093 1.582 ( -5.209 4.963 -14.436) 16.130 1.650 ( -4.154 7.468 -14.156) 16.535 1.824 ( 6.586 2.387 -1.117) 7.094 1.869 ( 0.870 4.900 3.098) 5.862 2.000 ( -5.811 -0.458 9.054) 10.768 2.053 ( 12.692 1.791 -0.308) 12.821 2.184 ( 0.483 -3.881 12.699) 13.288 2.230 ( -3.145 -3.263 -1.378) 4.737 2.298 ( 1.995 0.006 -0.021) 1.995 2.381 ( 2.740 -0.070 -0.714) 2.832 2.449 ( 2.876 4.994 -3.319) 6.651 2.494 ( -1.786 2.293 -4.704) 5.529 2.576 ( 0.065 2.734 0.823) 2.856 2.595 ( 0.848 -3.213 -1.923) 3.839 2.625 ( 3.127 -3.577 0.306) 4.761 2.674 ( 5.380 -0.162 2.894) 6.111 2.722 ( 1.596 -1.200 -2.776) 3.419 2.787 ( 1.194 -6.281 2.738) 6.955 2.830 ( -0.732 2.111 -3.882) 4.479 2.930 ( 2.825 -1.106 -2.520) 3.944 2.950 ( 4.497 -2.983 -0.856) 5.464 2.968 ( 0.172 -1.396 0.663) 1.555 2.999 ( -3.831 -3.313 -3.666) 6.252 3.150 ( -1.587 -6.926 -4.963) 8.667 3.168 ( -3.424 1.372 -6.399) 7.386 3.243 ( -3.815 -1.291 2.601) 4.795 3.259 ( -3.041 -2.289 1.100) 3.962 3.319 ( 1.547 -1.538 0.192) 2.190 3.385 ( -2.333 1.843 0.204) 2.980 3.418 ( -1.248 -2.501 0.034) 2.795 3.470 ( -2.007 -0.457 2.382) 3.148 3.491 ( -2.104 -2.623 4.578) 5.680 3.620 ( -5.000 -2.652 1.290) 5.805 3.688 ( -5.338 -11.352 3.437) 13.007 3.804 ( -2.229 -7.048 -4.551) 8.680 3.824 ( 2.777 -7.251 -0.732) 7.799 3.909 ( -0.012 0.162 -2.341) 2.346 3.948 ( 4.986 -2.234 -3.726) 6.614 3.996 ( -2.483 -8.436 -4.693) 9.967 4.142 ( 1.975 -6.471 1.288) 6.887 4.161 ( 2.934 -3.245 7.114) 8.351 4.191 ( 6.951 -5.962 1.006) 9.212 4.233 ( 0.631 -9.192 -1.734) 9.375 4.273 ( 9.025 -3.751 0.018) 9.773 4.308 ( 3.707 -7.718 4.301) 9.581 4.396 ( 0.974 0.231 -3.076) 3.235 4.463 ( 2.861 3.267 0.561) 4.379 4.477 ( 2.835 2.840 0.121) 4.015 4.544 ( 2.204 5.407 -2.328) 6.286 4.606 ( 1.131 2.531 0.378) 2.798 4.674 ( -0.799 0.316 3.774) 3.871 4.715 ( 5.549 -2.046 -2.625) 6.470 4.763 ( 3.756 2.481 2.432) 5.117 4.816 ( -0.620 -1.605 -0.136) 1.726 4.886 ( 6.096 2.237 1.403) 6.643 4.918 ( -1.892 0.459 4.737) 5.121 4.968 ( 0.432 5.319 -4.152) 6.761 5.027 ( -3.526 2.208 0.279) 4.169 5.093 ( 2.455 0.966 1.384) 2.979 5.127 ( -7.183 -0.993 -1.468) 7.399 5.153 ( 1.287 2.499 -1.322) 3.106 5.223 ( 1.816 -1.591 2.697) 3.619 5.301 ( -1.111 4.844 -0.457) 4.991 5.336 ( 0.870 -1.326 -2.132) 2.657 5.357 ( 0.655 2.026 1.550) 2.633 5.518 ( 2.272 4.119 3.207) 5.693 5.534 ( -1.137 4.217 -3.330) 5.493 5.594 ( 0.024 0.603 -1.586) 1.696 5.682 ( -0.404 4.636 -0.006) 4.653 5.749 ( -1.060 1.517 5.430) 5.736 5.827 ( 9.032 0.076 2.144) 9.283 5.933 ( -6.302 2.367 -1.510) 6.900 6.033 ( -1.832 4.843 1.028) 5.279 6.123 ( 0.788 3.125 -0.986) 3.370 6.166 ( -5.516 -4.611 -5.048) 8.785 6.241 ( -1.645 4.603 -3.594) 6.067 6.336 ( -7.390 -6.422 -0.776) 9.821 6.444 ( -0.467 3.607 -2.438) 4.379 6.542 ( -5.436 -5.689 -1.843) 8.081 6.688 ( 0.437 -1.748 3.351) 3.805 6.790 ( -2.724 -0.173 3.884) 4.747 6.841 ( 1.330 -0.971 -2.563) 3.046 6.898 ( 3.341 4.994 1.075) 6.103 6.935 ( -3.062 -0.071 1.216) 3.296 7.024 ( 0.328 2.271 -1.228) 2.603 7.116 ( -5.106 -7.017 3.003) 9.183 7.340 ( -0.322 1.445 -1.881) 2.394 7.374 ( -19.725 3.437 4.073) 20.432 7.505 ( -9.731 -1.618 4.898) 11.014 7.693 ( -3.000 4.154 -5.150) 7.265 7.749 ( 0.981 -1.015 -3.346) 3.632 7.807 ( -0.551 6.453 -3.452) 7.339 7.816 ( -1.008 -0.196 -1.174) 1.560 7.908 ( 0.067 7.179 -2.527) 7.610 7.980 ( 0.633 5.290 -4.497) 6.972 8.100 ( -2.788 3.078 0.171) 4.156 8.232 ( -8.679 3.105 0.918) 9.263 8.307 ( 0.583 9.567 1.152) 9.654 8.354 ( 0.550 -1.681 -0.155) 1.775 8.484 ( -0.512 -0.097 6.399) 6.420 8.631 ( -5.120 8.090 -1.620) 9.710 8.674 ( -0.996 0.067 -7.614) 7.679 8.732 ( -3.796 6.760 0.845) 7.798 8.929 ( -1.988 2.220 1.263) 3.236 8.996 ( 0.753 7.842 -1.770) 8.075 9.049 ( -4.548 7.190 -1.497) 8.639 9.241 ( 0.025 9.016 -0.515) 9.031 9.471 ( 0.676 5.457 -1.316) 5.654 9.552 ( 1.144 5.445 0.598) 5.596 9.995 ( 7.279 -1.651 3.245) 8.139 10.084 ( 3.894 -7.058 -1.757) 8.250 10.182 ( 9.555 -7.398 -1.407) 12.166 10.283 ( 4.601 0.037 4.366) 6.343 10.352 ( 11.597 4.075 -0.230) 12.294 10.624 ( 7.447 2.270 -0.900) 7.837 10.672 ( 9.822 2.061 -0.944) 10.081 10.806 ( -3.652 -6.144 -2.720) 7.648 10.863 ( -2.421 -8.478 0.008) 8.817 11.015 ( 6.449 -2.587 -2.526) 7.393 11.154 ( -4.314 -4.776 1.213) 6.549 11.167 ( -0.585 -1.875 0.742) 2.099 11.315 ( -3.013 -3.741 -1.023) 4.911 11.436 ( -8.517 -7.170 -0.547) 11.147 11.638 ( -11.060 -10.323 1.330) 15.188 11.695 ( -4.581 -7.217 -6.937) 11.009 11.936 ( 5.979 -0.197 1.825) 6.254 12.107 ( 2.962 -5.104 1.031) 5.991 12.215 ( -0.549 -3.314 -4.213) 5.389 12.291 ( 2.499 -5.191 -0.270) 5.768 12.480 ( -2.812 0.666 -2.090) 3.567 12.638 ( 3.781 6.529 -4.612) 8.843 12.660 ( 3.549 5.780 0.511) 6.802 12.723 ( 3.015 7.324 1.877) 8.139 12.750 ( -1.415 6.342 2.439) 6.940 12.872 ( -1.716 8.952 -1.727) 9.277 12.882 ( -1.207 9.019 -1.695) 9.256 12.963 ( -1.770 5.899 -1.202) 6.276 12.988 ( 3.671 8.817 1.471) 9.663 13.099 ( -2.743 6.353 -0.566) 6.943 13.211 ( -1.390 1.310 0.496) 1.974 13.294 ( 1.983 0.352 -2.147) 2.944 14.376 ( -0.638 -0.285 -0.345) 0.779 14.405 ( -1.589 -0.265 0.005) 1.611 14.532 ( -4.445 -1.548 1.071) 4.827 14.577 ( -8.313 -6.387 -6.982) 12.596 14.704 ( -4.398 1.283 -0.986) 4.686 14.785 ( -7.732 2.058 -3.779) 8.849 15.115 ( 1.196 -2.088 -0.189) 2.414 15.210 ( -5.000 -0.083 -1.934) 5.362 15.234 ( -2.195 -4.484 -2.315) 5.503 15.283 ( -2.504 2.129 -6.369) 7.167 16.216 ( 27.456 -16.856 46.607) 56.658 17.059 ( 33.443 -38.877 -4.466) 51.476 18.032 ( 4.581 6.045 0.410) 7.595 18.117 ( 3.437 1.220 2.063) 4.190 18.290 ( 3.284 -0.636 -0.542) 3.388 18.344 ( -2.778 1.086 -2.910) 4.167 18.437 ( 0.013 -0.021 -0.838) 0.839 18.461 ( -2.310 0.329 1.730) 2.904 18.545 ( -1.766 0.498 1.331) 2.266 18.566 ( -3.561 2.032 -0.159) 4.103 18.840 ( 1.901 -3.299 -0.207) 3.813 18.875 ( 0.179 -2.150 -0.668) 2.259 18.981 ( -1.901 1.637 0.770) 2.625 19.076 ( -0.482 1.288 -0.743) 1.563 20.456 ( -18.256 23.845 5.222) 30.482 21.145 ( -0.452 -3.104 -1.667) 3.552 21.277 ( -7.087 6.315 -23.076) 24.953 21.508 ( 1.237 0.111 -2.113) 2.451 23.130 ( 0.073 0.234 -1.292) 1.315 23.169 ( 4.627 -0.222 0.890) 4.717 23.357 ( -2.300 -1.533 0.165) 2.769 23.387 ( 1.114 -1.168 -0.126) 1.619 23.424 ( -1.514 -1.518 1.377) 2.548 23.461 ( -1.924 -2.038 1.246) 3.068 23.677 ( -2.730 -2.660 9.450) 10.190 23.858 ( 4.006 -3.291 -2.630) 5.813 ======================= Grid point 79 (33/50) ======================= q-point: ( 0.00 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 1.311 17.581 11.618) 21.114 1.269 ( -4.902 21.255 6.504) 22.762 1.535 ( 4.781 9.954 -9.622) 14.646 1.600 ( -1.169 11.191 -12.477) 16.801 1.875 ( 6.132 -1.248 0.558) 6.283 1.896 ( -1.083 -2.583 0.134) 2.804 2.000 ( -3.414 0.107 5.350) 6.347 2.051 ( -3.584 3.040 2.612) 5.377 2.105 ( -2.583 -1.608 -1.039) 3.215 2.181 ( 3.275 -1.579 -4.014) 5.416 2.274 ( -2.718 0.475 2.790) 3.924 2.294 ( 4.106 3.692 2.538) 6.078 2.399 ( 0.648 11.471 5.543) 12.756 2.469 ( 0.089 -1.662 2.090) 2.672 2.498 ( -4.771 -0.977 -0.210) 4.874 2.563 ( -6.386 -1.354 2.004) 6.828 2.605 ( 2.892 -5.993 1.064) 6.739 2.664 ( 5.132 1.805 -1.025) 5.536 2.692 ( -3.627 1.667 0.778) 4.066 2.719 ( 2.472 -4.270 -1.729) 5.228 2.736 ( -1.650 -0.419 1.235) 2.103 2.786 ( 2.784 -2.369 -3.959) 5.388 2.827 ( -0.918 6.376 -2.399) 6.874 2.887 ( 2.314 1.111 -3.088) 4.015 2.961 ( 2.203 -1.300 -1.576) 3.005 2.988 ( -3.367 -4.636 -1.934) 6.047 3.072 ( 1.981 -0.080 4.327) 4.759 3.123 ( 1.679 -1.911 0.779) 2.660 3.233 ( 0.923 -4.519 3.281) 5.660 3.262 ( -1.563 0.541 0.281) 1.678 3.297 ( -1.937 -1.972 -1.797) 3.297 3.339 ( -3.199 0.484 -0.272) 3.247 3.355 ( -1.619 -3.912 -2.257) 4.798 3.428 ( 6.253 4.007 -0.602) 7.451 3.480 ( -0.146 -0.565 2.655) 2.718 3.532 ( -0.790 -1.251 -0.267) 1.504 3.572 ( 0.855 -3.902 4.393) 5.938 3.589 ( 3.231 -7.992 -1.350) 8.726 3.699 ( -3.542 -9.506 1.268) 10.223 3.719 ( 4.614 -8.503 -5.060) 10.918 3.828 ( -2.981 -3.565 -3.949) 6.099 3.857 ( -0.169 -1.607 -6.588) 6.783 3.914 ( 0.594 -13.252 0.135) 13.266 3.996 ( -2.523 -8.619 -5.141) 10.348 4.047 ( 4.141 -14.173 5.206) 15.657 4.150 ( -2.507 -10.031 -2.860) 10.728 4.219 ( 1.168 -2.365 2.675) 3.757 4.342 ( -5.770 -8.004 -1.024) 9.920 4.387 ( 5.572 4.097 -1.779) 7.142 4.445 ( -2.727 -0.053 -4.043) 4.877 4.529 ( 0.137 -0.459 6.608) 6.625 4.607 ( 1.455 0.153 0.369) 1.509 4.665 ( 2.186 -4.235 0.858) 4.843 4.678 ( 0.621 3.186 3.556) 4.815 4.751 ( 1.114 -2.866 0.205) 3.081 4.792 ( -4.140 2.788 3.598) 6.153 4.854 ( -2.906 0.660 -3.185) 4.362 4.918 ( 0.371 1.902 -2.153) 2.896 4.994 ( -4.637 1.968 -0.352) 5.049 5.026 ( 2.049 3.497 -1.500) 4.321 5.049 ( -4.595 -0.601 4.447) 6.422 5.121 ( 5.879 0.390 -0.380) 5.904 5.171 ( -5.214 -4.520 -0.860) 6.954 5.195 ( 3.550 -1.023 0.285) 3.706 5.212 ( 1.418 1.399 3.054) 3.647 5.303 ( 3.213 2.448 1.637) 4.359 5.365 ( -2.401 -2.549 -1.643) 3.868 5.462 ( 3.282 1.822 1.847) 4.184 5.532 ( 2.437 5.620 -2.738) 6.710 5.599 ( -1.941 5.947 -1.208) 6.371 5.664 ( 0.965 1.938 4.009) 4.556 5.707 ( -1.797 0.574 -0.299) 1.910 5.725 ( -1.880 3.900 -1.858) 4.711 5.790 ( -5.041 3.692 -2.869) 6.876 5.952 ( 6.005 -0.573 4.422) 7.480 6.016 ( -3.587 -2.191 -2.149) 4.720 6.111 ( 6.707 0.456 1.711) 6.937 6.176 ( -7.078 4.337 -3.075) 8.853 6.254 ( 4.880 0.273 5.863) 7.633 6.322 ( 2.509 -3.710 4.987) 6.703 6.422 ( 0.463 -1.131 -1.987) 2.333 6.444 ( -2.117 -0.540 -5.498) 5.916 6.605 ( -4.716 -4.073 -3.637) 7.215 6.636 ( 2.269 -2.123 -3.656) 4.799 6.846 ( -1.489 -0.966 2.617) 3.162 6.890 ( 2.021 -2.008 -1.153) 3.073 7.027 ( 3.021 -1.127 5.508) 6.382 7.136 ( -3.295 3.870 -1.752) 5.376 7.216 ( 1.124 2.166 -2.042) 3.182 7.229 ( 1.434 3.130 -0.952) 3.572 7.373 ( -2.369 9.433 6.595) 11.751 7.483 ( -3.375 12.035 -2.241) 12.698 7.724 ( 0.980 0.185 -1.883) 2.130 7.746 ( 0.536 2.063 -2.540) 3.316 7.808 ( 2.444 -0.474 2.952) 3.861 7.920 ( 0.418 0.417 -5.316) 5.348 8.009 ( -4.569 5.450 2.963) 7.705 8.073 ( 5.087 5.426 -0.123) 7.439 8.169 ( 2.511 1.298 3.086) 4.185 8.258 ( -2.564 -0.138 -3.594) 4.417 8.410 ( -3.213 7.475 5.748) 9.962 8.493 ( -6.265 2.968 3.999) 8.004 8.610 ( 7.548 1.064 -3.461) 8.372 8.625 ( 2.433 7.173 -9.607) 12.234 8.703 ( -1.249 5.105 4.028) 6.622 8.780 ( -0.258 8.226 -2.009) 8.472 9.130 ( -3.062 14.234 1.705) 14.659 9.184 ( 3.190 9.271 -0.423) 9.814 9.282 ( 2.593 15.034 1.009) 15.290 9.368 ( -3.161 10.636 -3.549) 11.649 9.584 ( -2.242 8.797 4.161) 9.986 9.668 ( -0.184 8.636 -2.207) 8.915 10.012 ( 3.387 -5.054 0.640) 6.118 10.065 ( 0.583 -3.554 -2.429) 4.344 10.225 ( 2.729 1.840 6.026) 6.866 10.373 ( -2.551 -4.086 -4.308) 6.463 10.381 ( -1.932 -2.420 4.675) 5.608 10.511 ( -1.803 -8.847 -2.061) 9.261 10.632 ( -3.620 -6.226 5.882) 9.299 10.764 ( 4.367 -1.758 -2.240) 5.213 10.869 ( 6.335 1.612 0.232) 6.541 10.929 ( -6.130 -4.225 -1.943) 7.695 11.055 ( -0.296 -4.691 0.960) 4.797 11.100 ( 2.747 -5.827 -1.538) 6.623 11.200 ( -2.209 -9.388 2.432) 9.947 11.251 ( 6.595 -3.423 -2.474) 7.831 11.316 ( -6.364 -3.240 1.768) 7.357 11.440 ( 1.939 -4.681 -7.949) 9.426 11.906 ( -2.517 -7.514 1.280) 8.027 11.934 ( 0.265 -8.490 -0.354) 8.501 12.120 ( 1.721 -8.802 3.289) 9.553 12.217 ( 0.746 -8.080 -4.820) 9.438 12.534 ( -2.696 6.029 5.247) 8.435 12.692 ( 1.265 9.589 -6.718) 11.776 12.839 ( -1.830 4.676 1.664) 5.290 12.872 ( -2.109 6.274 0.391) 6.631 12.894 ( 1.908 4.989 -0.444) 5.360 12.953 ( 2.063 7.579 -3.264) 8.506 13.074 ( 0.620 9.374 1.424) 9.502 13.130 ( 0.254 7.328 -1.415) 7.468 13.154 ( -1.159 4.963 0.607) 5.133 13.204 ( -0.756 6.078 -1.446) 6.293 13.236 ( 0.876 3.571 1.624) 4.019 13.298 ( -0.037 2.975 -2.875) 4.138 14.375 ( 0.946 -0.690 0.663) 1.346 14.400 ( -1.786 -0.980 -0.369) 2.070 14.417 ( 1.007 -2.001 -0.360) 2.269 14.439 ( 0.857 -2.436 -1.103) 2.808 14.731 ( 1.112 3.801 2.285) 4.572 14.794 ( -1.184 5.283 -2.871) 6.128 15.052 ( 1.160 -4.584 0.194) 4.733 15.056 ( -1.090 -5.817 -0.175) 5.921 15.207 ( 0.634 1.589 1.513) 2.284 15.275 ( 0.408 2.335 -5.041) 5.571 16.104 ( -11.625 -32.703 19.129) 39.630 16.409 ( 7.788 -41.138 -8.072) 42.640 18.213 ( -5.329 3.840 0.836) 6.622 18.226 ( 3.377 3.718 0.202) 5.027 18.349 ( 0.960 1.350 -0.194) 1.668 18.371 ( 2.571 0.474 -1.798) 3.173 18.451 ( -1.593 5.099 1.376) 5.517 18.476 ( 0.730 4.359 -0.311) 4.431 18.536 ( 1.772 1.973 0.137) 2.655 18.551 ( -1.886 1.560 -0.679) 2.540 18.803 ( 1.342 -2.893 0.506) 3.229 18.821 ( -1.297 -2.893 -0.903) 3.296 18.997 ( 0.428 1.035 2.478) 2.720 19.055 ( -0.969 0.569 -2.308) 2.567 20.854 ( -3.267 15.894 8.023) 18.101 21.079 ( 5.058 3.572 -7.245) 9.530 21.316 ( 0.109 6.095 0.942) 6.168 21.466 ( -1.037 1.707 -7.107) 7.382 23.170 ( 2.025 1.157 0.680) 2.429 23.197 ( -2.530 0.299 -1.399) 2.907 23.304 ( 2.505 -1.571 1.627) 3.375 23.336 ( -1.642 -2.015 -1.026) 2.794 23.383 ( -1.735 -2.897 1.328) 3.628 23.417 ( 3.248 -3.578 -1.575) 5.082 23.641 ( -3.645 -5.123 7.928) 10.118 23.775 ( 2.103 -6.273 -3.712) 7.586 ======================= Grid point 80 (34/50) ======================= q-point: ( 0.17 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( 1.546 14.584 3.743) 15.136 1.363 ( 5.482 12.351 2.963) 13.834 1.453 ( 1.038 14.448 -9.185) 17.152 1.601 ( 7.656 15.189 3.826) 17.435 1.828 ( -2.182 -0.180 -5.089) 5.539 1.934 ( -0.103 -3.284 -3.034) 4.472 2.001 ( -7.213 2.769 5.023) 9.215 2.058 ( -3.207 -0.880 6.016) 6.874 2.093 ( 2.792 0.694 0.889) 3.011 2.198 ( 6.742 -1.972 -4.519) 8.352 2.237 ( -2.512 -5.839 -0.689) 6.394 2.353 ( -5.621 0.502 -0.220) 5.648 2.374 ( 0.647 -6.221 1.174) 6.364 2.463 ( -3.135 -3.712 0.675) 4.905 2.481 ( -3.315 0.143 1.545) 3.660 2.553 ( -1.335 9.946 4.449) 10.977 2.597 ( -1.871 -1.252 1.525) 2.719 2.653 ( -0.476 1.350 0.500) 1.516 2.678 ( 2.869 5.026 -4.922) 7.597 2.745 ( -1.096 0.286 1.503) 1.883 2.759 ( 3.555 3.629 -1.797) 5.389 2.815 ( 7.007 0.902 1.300) 7.183 2.861 ( -2.747 -1.270 0.282) 3.039 2.883 ( 3.003 4.266 -3.744) 6.422 2.899 ( 4.335 -1.184 -0.378) 4.510 2.996 ( 0.344 -1.746 -0.100) 1.782 3.057 ( -4.555 -3.604 -1.093) 5.910 3.109 ( -3.093 -1.172 -2.668) 4.250 3.179 ( -2.152 -0.812 3.592) 4.265 3.240 ( -3.680 -1.073 -0.282) 3.843 3.310 ( 5.461 -4.922 2.686) 7.827 3.322 ( 0.992 0.031 -4.219) 4.334 3.379 ( 1.112 -5.079 1.522) 5.418 3.445 ( -3.552 -7.700 -2.668) 8.890 3.466 ( -2.955 -8.659 2.597) 9.511 3.544 ( -2.257 -8.513 0.545) 8.824 3.581 ( 4.822 3.939 -4.114) 7.463 3.633 ( -0.827 -4.355 -0.725) 4.492 3.658 ( 3.144 -1.015 -7.922) 8.583 3.765 ( 3.040 0.108 9.373) 9.854 3.795 ( 2.058 -9.297 -2.532) 9.853 3.882 ( 5.462 -2.053 1.599) 6.050 3.964 ( 1.939 -11.121 -1.308) 11.364 3.992 ( 0.113 -7.849 2.768) 8.324 4.059 ( 2.848 -12.478 -2.827) 13.107 4.139 ( -5.668 -8.398 -0.044) 10.132 4.192 ( -0.493 -2.596 1.613) 3.095 4.298 ( 1.308 0.776 1.641) 2.238 4.422 ( -1.234 -1.449 3.303) 3.812 4.486 ( 3.099 -1.389 -1.622) 3.763 4.544 ( 0.855 0.976 -2.133) 2.497 4.584 ( -3.598 4.674 0.345) 5.909 4.666 ( -2.674 -4.243 -2.021) 5.408 4.682 ( -11.848 0.351 0.445) 11.861 4.755 ( -2.533 3.138 -0.034) 4.033 4.765 ( 0.532 0.890 1.041) 1.470 4.799 ( -0.518 1.279 -0.715) 1.554 4.849 ( -7.725 -0.192 3.491) 8.479 4.881 ( 1.358 3.616 2.565) 4.637 4.996 ( -1.403 0.813 2.753) 3.195 5.070 ( 1.588 -1.258 -0.282) 2.045 5.128 ( 0.890 -1.442 3.329) 3.736 5.162 ( -3.578 -1.571 -0.349) 3.923 5.187 ( 0.311 -3.543 -3.431) 4.941 5.261 ( -2.781 -1.753 -2.229) 3.972 5.348 ( 3.524 -3.864 0.103) 5.231 5.368 ( -1.278 6.809 -7.167) 9.968 5.391 ( -2.048 3.216 2.253) 4.429 5.520 ( 1.920 3.882 -0.065) 4.331 5.611 ( -0.924 2.082 -1.074) 2.518 5.681 ( 0.243 4.143 -3.153) 5.212 5.730 ( 4.483 2.855 5.476) 7.631 5.783 ( 5.013 4.210 2.747) 7.099 5.839 ( 3.815 -1.002 6.817) 7.876 5.901 ( -5.581 -1.840 -6.345) 8.648 6.000 ( -3.466 1.654 0.265) 3.850 6.089 ( 4.427 2.960 0.124) 5.327 6.243 ( -0.650 0.726 -1.322) 1.642 6.302 ( -2.964 -0.036 -5.381) 6.143 6.376 ( 5.619 1.188 -5.595) 8.018 6.396 ( 1.232 -6.360 0.977) 6.551 6.447 ( 5.224 1.281 4.745) 7.173 6.581 ( 2.620 -6.929 4.888) 8.875 6.691 ( 5.482 -1.956 -1.439) 5.996 6.825 ( -3.188 -2.239 0.848) 3.987 6.906 ( 1.666 0.305 -1.598) 2.328 7.040 ( -0.593 -0.430 -3.340) 3.419 7.113 ( -4.993 2.541 3.581) 6.649 7.197 ( 6.148 3.720 1.284) 7.299 7.247 ( 0.255 2.852 -2.827) 4.024 7.497 ( 7.929 8.146 1.367) 11.449 7.528 ( 4.791 3.991 5.813) 8.525 7.690 ( -1.446 0.434 -1.130) 1.886 7.778 ( 3.443 1.601 -0.639) 3.850 7.810 ( -2.914 -1.869 -3.257) 4.753 7.906 ( 3.309 1.378 -0.056) 3.585 7.964 ( -4.271 3.947 0.800) 5.870 8.100 ( 1.188 7.191 -2.170) 7.605 8.176 ( -0.157 0.500 -3.478) 3.517 8.256 ( 1.396 -0.955 2.556) 3.065 8.437 ( -3.004 3.436 8.983) 10.076 8.447 ( -4.626 2.015 3.829) 6.334 8.569 ( 4.141 7.371 -10.031) 13.118 8.652 ( 2.098 2.464 -1.483) 3.560 8.755 ( 2.935 6.571 -0.110) 7.198 8.846 ( 9.495 8.214 0.379) 12.561 9.091 ( -2.588 11.160 2.010) 11.631 9.248 ( 4.202 16.452 -2.417) 17.152 9.278 ( -0.658 12.127 -2.749) 12.452 9.355 ( 0.831 8.844 3.779) 9.653 9.621 ( 0.075 11.284 2.393) 11.535 9.690 ( 2.829 2.627 3.354) 5.114 9.889 ( -12.509 0.058 -6.157) 13.942 10.027 ( -1.709 -3.039 -1.535) 3.810 10.178 ( -4.583 -0.174 -4.110) 6.159 10.246 ( -9.513 -5.090 4.269) 11.603 10.447 ( 2.681 5.327 3.113) 6.727 10.554 ( -1.346 -3.565 1.856) 4.239 10.638 ( -3.391 -4.783 4.913) 7.650 10.751 ( -6.455 5.033 -2.859) 8.670 10.806 ( 3.566 -6.780 -6.219) 9.867 10.912 ( -4.905 -5.208 0.043) 7.154 10.971 ( -1.718 -2.007 0.403) 2.672 11.157 ( 3.297 -9.269 -2.749) 10.215 11.198 ( 0.367 -8.001 1.332) 8.120 11.355 ( 8.390 0.430 -1.829) 8.598 11.375 ( 7.473 -9.124 2.681) 12.095 11.506 ( 11.491 -5.957 -0.760) 12.966 11.807 ( -6.503 -7.088 2.614) 9.968 12.015 ( 3.695 -9.312 0.464) 10.029 12.083 ( -5.695 -10.056 -1.876) 11.708 12.176 ( -2.878 -6.571 -1.281) 7.288 12.534 ( -1.793 9.713 2.947) 10.307 12.673 ( 1.178 8.142 0.105) 8.227 12.815 ( -2.253 4.552 -3.084) 5.942 12.833 ( -2.487 6.032 3.676) 7.489 12.922 ( 0.585 3.603 0.632) 3.705 12.967 ( 2.639 6.411 -2.443) 7.350 13.069 ( -1.294 7.415 -0.477) 7.542 13.121 ( 0.643 9.345 -0.369) 9.374 13.156 ( -0.697 3.429 0.824) 3.595 13.188 ( -0.010 6.374 0.984) 6.450 13.265 ( 0.227 3.594 -2.373) 4.313 13.294 ( 2.799 5.659 1.450) 6.478 14.362 ( -0.633 -1.072 -0.853) 1.509 14.398 ( 0.334 -1.104 0.545) 1.275 14.429 ( 2.150 -2.751 0.416) 3.516 14.510 ( 6.045 -4.363 -1.587) 7.622 14.766 ( 1.815 3.820 -2.067) 4.707 14.812 ( 4.724 3.881 1.885) 6.398 15.040 ( -0.114 -4.255 0.135) 4.258 15.089 ( 1.971 -5.719 0.053) 6.049 15.232 ( 0.730 1.018 -3.066) 3.312 15.258 ( 3.695 2.223 1.786) 4.667 15.999 ( -20.446 -33.112 13.143) 41.075 16.329 ( -8.133 -30.873 -7.904) 32.890 18.089 ( -5.897 5.325 0.563) 7.965 18.254 ( -3.251 1.515 2.806) 4.554 18.320 ( -1.564 6.088 -3.605) 7.247 18.358 ( 0.037 0.746 -1.376) 1.566 18.441 ( -1.526 1.979 -1.201) 2.772 18.491 ( -0.359 1.548 2.080) 2.618 18.567 ( 3.728 0.856 0.923) 3.935 18.615 ( 5.615 3.423 -1.026) 6.656 18.782 ( -1.661 -3.489 -1.207) 4.049 18.831 ( 0.992 -1.322 1.048) 1.957 19.025 ( 0.297 -0.210 -1.782) 1.818 19.050 ( 1.826 0.647 2.564) 3.214 20.926 ( 1.117 9.658 7.352) 12.189 21.081 ( 6.750 6.550 -9.557) 13.409 21.340 ( -3.139 5.135 -4.636) 7.597 21.393 ( 1.257 1.190 5.590) 5.851 23.107 ( -4.741 -1.682 -0.464) 5.052 23.190 ( -1.196 1.451 -0.152) 1.886 23.323 ( -3.119 -3.947 0.235) 5.036 23.339 ( 1.840 -1.897 -0.037) 2.643 23.422 ( 5.779 -0.876 -0.462) 5.863 23.438 ( 3.138 -2.141 -1.067) 3.946 23.667 ( -3.151 -5.680 5.671) 8.622 23.759 ( 1.379 -4.882 -4.063) 6.500 ======================= Grid point 82 (35/50) ======================= q-point: ( 0.33 0.22 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.377 ( 6.812 14.062 -1.860) 15.735 1.449 ( 6.953 10.204 -1.827) 12.482 1.521 ( 6.980 8.543 2.782) 11.378 1.690 ( -3.718 4.812 -0.598) 6.110 1.834 ( 1.271 8.339 4.262) 9.451 1.852 ( -3.136 -0.195 -3.255) 4.524 1.881 ( -4.241 8.097 1.802) 9.316 2.019 ( -9.334 -2.201 6.476) 11.572 2.139 ( -1.239 -4.033 -3.962) 5.788 2.194 ( 6.121 -5.057 -2.444) 8.307 2.215 ( -4.906 -3.448 0.991) 6.078 2.299 ( 0.682 -1.780 -2.674) 3.283 2.396 ( -2.591 -2.760 3.488) 5.147 2.424 ( -0.734 -5.252 -0.127) 5.305 2.494 ( -0.132 -1.584 -2.817) 3.235 2.514 ( 1.995 1.369 4.013) 4.686 2.561 ( -5.886 0.729 0.857) 5.992 2.601 ( -1.764 1.636 -0.634) 2.488 2.695 ( 2.093 2.213 -3.277) 4.474 2.733 ( -1.622 -0.582 1.994) 2.635 2.812 ( 2.892 3.564 -0.677) 4.640 2.847 ( 0.861 -0.885 -3.443) 3.657 2.849 ( -0.608 -1.765 -2.745) 3.319 2.934 ( 2.714 -0.516 -4.512) 5.291 2.983 ( 8.160 3.994 -4.339) 10.068 3.025 ( 2.402 -7.088 2.522) 7.898 3.052 ( 7.105 2.847 4.544) 8.901 3.147 ( 5.685 -0.874 -0.299) 5.759 3.191 ( -4.128 -2.908 4.113) 6.513 3.218 ( 0.553 -1.509 -1.516) 2.209 3.305 ( 4.382 1.399 -0.699) 4.653 3.377 ( -0.590 -2.724 4.023) 4.894 3.408 ( -0.871 -7.784 1.758) 8.027 3.436 ( 2.258 -9.122 4.403) 10.378 3.466 ( 0.945 -9.644 1.296) 9.777 3.541 ( 2.235 -4.785 -1.381) 5.459 3.551 ( -0.246 0.203 -3.227) 3.243 3.632 ( -0.100 -3.691 -1.271) 3.905 3.668 ( 4.915 -3.977 -1.992) 6.629 3.762 ( -3.997 -8.634 0.753) 9.544 3.878 ( -3.074 1.914 0.410) 3.644 3.890 ( 0.245 -10.770 -1.994) 10.955 3.959 ( -5.022 -9.092 -1.527) 10.498 3.987 ( -6.995 -3.056 4.568) 8.896 4.057 ( 0.754 -1.315 3.673) 3.974 4.114 ( -11.915 7.370 0.094) 14.010 4.170 ( 8.394 0.630 -3.341) 9.056 4.283 ( -5.677 1.872 -1.257) 6.108 4.386 ( -4.017 3.061 2.874) 5.811 4.406 ( -0.793 -3.654 -3.504) 5.124 4.490 ( -1.080 -3.182 -0.421) 3.387 4.518 ( -7.018 6.560 2.815) 10.011 4.584 ( 1.793 -2.118 -1.419) 3.117 4.654 ( -5.631 5.138 6.021) 9.714 4.716 ( 0.353 -0.502 1.717) 1.823 4.780 ( 3.072 -2.270 -2.633) 4.639 4.825 ( 0.738 1.647 0.752) 1.955 4.851 ( 6.088 3.518 -1.948) 7.296 4.921 ( -1.490 -1.946 0.564) 2.515 5.034 ( -7.492 -0.619 -0.335) 7.525 5.064 ( 2.108 -4.291 -0.925) 4.869 5.119 ( -3.321 -2.042 -2.156) 4.455 5.140 ( 3.192 1.254 -0.888) 3.543 5.169 ( 1.339 0.170 -3.465) 3.719 5.203 ( 2.765 4.400 0.394) 5.212 5.232 ( -0.365 -0.961 0.383) 1.097 5.381 ( -3.300 -2.335 1.113) 4.193 5.476 ( 2.896 -3.412 1.342) 4.672 5.533 ( 0.231 5.758 -1.031) 5.855 5.610 ( 1.808 0.325 -1.999) 2.714 5.624 ( -2.782 4.702 -3.213) 6.338 5.696 ( -2.614 -0.890 -1.439) 3.114 5.824 ( -1.146 4.330 -1.092) 4.610 5.899 ( 3.912 2.935 -1.325) 5.066 5.966 ( -1.545 -3.816 5.870) 7.170 6.004 ( -1.678 0.065 1.148) 2.034 6.096 ( 1.061 -0.186 -0.570) 1.219 6.161 ( 1.341 -1.604 3.147) 3.778 6.313 ( 5.771 2.011 -0.228) 6.115 6.392 ( 1.798 -2.337 -4.404) 5.300 6.442 ( -0.409 -1.744 3.379) 3.825 6.559 ( 3.331 0.894 0.536) 3.490 6.681 ( 0.872 -6.507 -0.652) 6.598 6.703 ( 0.091 -5.292 0.187) 5.296 6.828 ( 0.932 1.125 4.107) 4.359 6.911 ( 1.938 1.564 -2.726) 3.692 7.019 ( 1.663 -1.500 -2.638) 3.460 7.107 ( 0.730 -0.086 2.246) 2.363 7.236 ( 2.087 7.638 -1.529) 8.064 7.304 ( 2.361 6.645 1.440) 7.197 7.631 ( 5.285 -2.093 -0.099) 5.685 7.638 ( 1.687 0.426 3.136) 3.587 7.671 ( -0.381 1.266 1.910) 2.323 7.726 ( -2.886 -1.496 0.131) 3.253 7.818 ( -1.629 0.697 2.493) 3.058 7.920 ( 1.516 0.863 -1.439) 2.261 7.938 ( 0.477 3.371 -0.928) 3.529 8.107 ( 1.555 2.030 -0.066) 2.558 8.178 ( 2.965 -3.556 -1.313) 4.812 8.305 ( 2.312 -2.661 1.139) 3.704 8.385 ( -3.511 1.184 -3.020) 4.780 8.466 ( -2.191 5.366 2.657) 6.376 8.543 ( 1.852 1.709 -4.174) 4.876 8.679 ( 1.900 5.844 0.540) 6.168 8.839 ( 6.026 3.633 2.333) 7.413 9.030 ( 11.056 10.403 -0.190) 15.182 9.088 ( -2.196 8.121 2.442) 8.760 9.239 ( 0.023 9.213 -0.166) 9.214 9.280 ( -1.752 17.785 -0.928) 17.896 9.372 ( 0.125 2.269 -2.084) 3.083 9.595 ( -7.721 5.972 0.290) 9.765 9.623 ( -6.752 9.891 1.236) 12.040 9.774 ( 3.389 5.776 -4.776) 8.225 10.015 ( 1.917 6.180 1.891) 6.741 10.093 ( 0.432 1.434 -3.786) 4.072 10.151 ( -5.840 -2.614 -0.686) 6.435 10.400 ( -10.490 10.124 -1.912) 14.703 10.536 ( -2.205 -1.974 7.474) 8.038 10.560 ( -2.799 1.327 -0.220) 3.106 10.730 ( -5.279 2.055 1.331) 5.819 10.773 ( -2.768 -6.796 0.293) 7.344 10.829 ( 5.399 -4.078 -3.658) 7.692 11.000 ( -0.100 -5.172 3.796) 6.416 11.166 ( 2.326 -7.283 -3.579) 8.442 11.241 ( 2.257 -9.211 1.309) 9.573 11.455 ( 7.098 -6.231 -5.074) 10.722 11.557 ( 8.159 -8.185 5.105) 12.634 11.684 ( 5.048 -6.851 0.356) 8.518 11.798 ( 2.195 -5.872 4.680) 7.823 11.927 ( -4.783 -10.685 -5.845) 13.084 12.043 ( -3.151 -11.428 -0.256) 11.857 12.091 ( -5.005 -3.965 1.863) 6.651 12.566 ( 2.035 6.832 1.940) 7.388 12.670 ( -4.488 8.833 2.954) 10.338 12.753 ( 0.011 1.689 -3.920) 4.269 12.816 ( -2.954 6.118 -0.249) 6.798 12.919 ( 0.740 3.074 -2.052) 3.769 12.999 ( 1.786 4.746 0.782) 5.130 13.055 ( 0.132 5.619 -0.313) 5.629 13.100 ( -0.948 5.736 -0.340) 5.824 13.184 ( 1.265 9.785 1.251) 9.946 13.208 ( -0.374 6.581 3.020) 7.251 13.263 ( 0.625 5.106 0.902) 5.223 13.342 ( 1.646 6.295 0.046) 6.507 14.361 ( 0.989 -2.063 -0.094) 2.290 14.412 ( 0.772 -1.853 -0.243) 2.022 14.479 ( 1.263 -5.085 2.813) 5.947 14.573 ( 4.030 -5.711 -2.208) 7.331 14.811 ( 4.471 1.692 0.208) 4.785 14.898 ( 4.013 0.717 0.525) 4.111 15.036 ( -1.486 -3.318 -0.061) 3.637 15.116 ( 1.231 -7.021 1.005) 7.199 15.252 ( 3.480 -1.872 -0.487) 3.981 15.397 ( 12.850 -0.241 -0.068) 12.852 15.756 ( -20.331 -18.998 3.712) 28.073 15.998 ( -19.221 -14.301 -5.941) 24.683 18.051 ( -1.266 4.056 1.457) 4.492 18.233 ( -0.711 3.037 -4.950) 5.851 18.239 ( -1.193 3.872 0.734) 4.117 18.339 ( -1.651 -0.472 -0.576) 1.812 18.418 ( -0.584 1.864 1.084) 2.234 18.517 ( -0.323 1.001 3.751) 3.895 18.598 ( 0.134 0.124 -1.708) 1.718 18.685 ( 3.621 4.245 -0.749) 5.630 18.754 ( -0.100 -2.092 -0.477) 2.148 18.850 ( 0.244 -0.445 -0.175) 0.536 19.025 ( 0.962 -1.012 -0.252) 1.418 19.090 ( 0.244 0.169 0.859) 0.909 21.020 ( 4.097 3.139 0.072) 5.162 21.064 ( 0.359 0.025 -4.757) 4.771 21.289 ( -0.679 6.353 3.437) 7.255 21.471 ( 0.925 -0.038 3.290) 3.418 23.037 ( -3.239 -2.388 1.181) 4.194 23.177 ( 0.844 -0.060 -2.036) 2.205 23.273 ( -2.129 -4.514 -0.058) 4.991 23.321 ( -2.978 -1.413 -0.529) 3.339 23.490 ( 5.031 -0.027 0.143) 5.033 23.546 ( 7.128 -1.140 -0.786) 7.261 23.657 ( -4.258 -4.613 3.731) 7.303 23.731 ( 0.211 -2.683 -3.506) 4.420 ======================= Grid point 83 (36/50) ======================= q-point: (-0.50 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.467 ( -0.425 8.252 -0.147) 8.264 1.508 ( 1.476 5.870 1.098) 6.152 1.580 ( -1.410 11.268 -4.487) 12.210 1.614 ( 0.138 9.398 -3.467) 10.018 1.773 ( 1.212 3.210 3.539) 4.930 1.830 ( 3.564 4.164 -1.130) 5.596 1.942 ( -6.243 -3.639 8.532) 11.181 2.031 ( 1.277 6.787 5.645) 8.919 2.074 ( -2.630 -2.265 -1.337) 3.719 2.206 ( 5.328 -5.517 -0.489) 7.685 2.224 ( -4.429 -3.335 -2.120) 5.936 2.274 ( 7.346 -1.906 -7.960) 10.998 2.362 ( -2.671 -2.556 3.991) 5.440 2.404 ( -6.734 -1.524 5.014) 8.532 2.468 ( 0.759 -2.837 -3.673) 4.703 2.506 ( -3.140 1.977 4.452) 5.796 2.584 ( 5.385 -3.699 -2.171) 6.885 2.622 ( 1.182 -2.590 0.129) 2.849 2.683 ( -2.128 1.999 1.149) 3.138 2.745 ( 0.521 1.169 -3.620) 3.840 2.767 ( -0.908 -0.371 1.379) 1.692 2.851 ( 0.227 -0.073 -1.463) 1.482 2.865 ( -0.615 -0.225 -3.147) 3.215 2.878 ( 5.040 -1.661 -4.566) 7.000 3.068 ( -9.131 3.150 1.857) 9.836 3.102 ( -4.780 -3.376 4.367) 7.302 3.128 ( 8.267 2.051 -1.087) 8.587 3.167 ( 1.525 -11.394 -2.375) 11.738 3.227 ( 1.949 1.435 4.488) 5.099 3.260 ( 3.248 4.269 2.126) 5.771 3.352 ( -5.965 -5.579 0.031) 8.167 3.372 ( 1.608 1.249 -2.828) 3.484 3.439 ( 5.823 -7.581 0.648) 9.581 3.468 ( -3.098 -4.118 0.054) 5.154 3.476 ( -1.170 -4.235 -1.145) 4.540 3.533 ( 1.635 -9.218 2.940) 9.813 3.571 ( -2.477 3.005 -2.635) 4.702 3.618 ( 7.544 -2.555 0.250) 7.969 3.697 ( -1.885 -11.841 1.137) 12.044 3.741 ( 0.939 -5.034 -1.548) 5.350 3.785 ( -5.742 -4.483 1.093) 7.366 3.807 ( -1.239 -0.989 -4.673) 4.935 3.933 ( 1.869 -5.322 2.327) 6.102 3.952 ( 3.664 -0.772 4.587) 5.921 4.027 ( 1.874 -0.125 2.383) 3.034 4.085 ( -1.788 -5.634 0.299) 5.918 4.146 ( 0.696 1.178 -6.689) 6.828 4.283 ( -7.721 4.197 -7.154) 11.332 4.313 ( -4.082 4.580 4.553) 7.640 4.406 ( 2.431 -1.056 -4.096) 4.878 4.466 ( 4.803 0.759 8.539) 9.826 4.544 ( 0.319 1.108 3.102) 3.309 4.625 ( 2.429 1.583 2.143) 3.606 4.625 ( -4.190 2.116 6.379) 7.920 4.740 ( -1.428 4.700 -1.477) 5.129 4.782 ( -3.809 -1.961 1.426) 4.516 4.832 ( -0.444 1.072 -1.780) 2.125 4.859 ( 3.558 -0.207 -6.480) 7.396 4.944 ( 0.109 0.721 0.490) 0.879 4.970 ( 2.990 -1.241 1.586) 3.605 4.994 ( -4.034 -0.783 -2.968) 5.069 5.035 ( -1.844 -2.381 1.213) 3.247 5.116 ( 0.514 3.593 -7.366) 8.212 5.160 ( 4.371 -3.981 -5.102) 7.810 5.276 ( 1.084 3.579 1.507) 4.031 5.327 ( -2.712 -2.070 -0.567) 3.459 5.410 ( 7.375 2.321 6.847) 10.327 5.457 ( -3.199 -1.598 4.149) 5.477 5.489 ( -1.989 1.973 -1.325) 3.100 5.549 ( 0.945 1.753 -3.446) 3.980 5.599 ( 0.504 -1.348 -4.469) 4.695 5.700 ( -3.819 -0.126 -10.163) 10.858 5.798 ( 6.082 1.374 6.727) 9.172 5.882 ( -3.954 5.109 -0.088) 6.461 5.950 ( -3.161 -0.876 2.712) 4.256 5.998 ( 2.068 -0.866 -0.226) 2.253 6.169 ( 1.812 3.579 2.976) 4.995 6.249 ( -1.956 -4.251 0.728) 4.736 6.377 ( 2.922 -4.531 3.207) 6.274 6.421 ( -0.121 0.589 1.247) 1.385 6.453 ( 2.872 -3.759 1.541) 4.975 6.532 ( -2.612 -4.523 -4.932) 7.183 6.667 ( -1.859 -3.468 1.040) 4.070 6.710 ( 1.097 -1.865 -1.857) 2.852 6.870 ( -1.712 2.597 3.358) 4.577 6.924 ( 2.601 4.079 -1.856) 5.182 7.043 ( -0.866 -1.500 2.246) 2.836 7.096 ( -1.212 -6.718 -2.000) 7.113 7.278 ( 1.354 12.194 1.376) 12.346 7.308 ( -0.321 11.252 -1.686) 11.382 7.647 ( -3.452 -0.500 1.376) 3.750 7.670 ( 0.774 -2.462 0.501) 2.629 7.693 ( -0.234 -1.792 1.973) 2.676 7.724 ( 0.365 0.195 0.156) 0.442 7.832 ( -1.561 -0.875 5.477) 5.762 7.925 ( 1.256 2.668 -1.481) 3.300 7.975 ( 4.125 -0.914 2.311) 4.815 8.130 ( 0.237 -4.020 -4.065) 5.722 8.219 ( -2.254 1.891 1.022) 3.114 8.263 ( 1.534 -2.483 1.487) 3.276 8.341 ( -2.312 -7.296 -1.871) 7.879 8.401 ( -1.787 3.414 -7.877) 8.769 8.574 ( 1.409 3.725 4.103) 5.718 8.690 ( 0.953 6.310 -3.456) 7.257 8.990 ( 4.660 0.286 5.938) 7.554 9.035 ( -5.760 6.002 2.668) 8.736 9.156 ( -2.206 8.684 -2.780) 9.381 9.176 ( 2.485 7.621 -3.803) 8.873 9.261 ( 0.846 5.961 4.254) 7.372 9.378 ( 3.184 11.765 -3.806) 12.769 9.500 ( -6.449 9.230 1.596) 11.372 9.552 ( 1.712 13.007 -2.538) 13.362 9.874 ( 12.897 10.033 0.512) 16.348 9.900 ( -12.951 10.897 -2.134) 17.060 10.107 ( 4.033 -0.200 -2.154) 4.577 10.129 ( -1.223 0.577 -3.390) 3.650 10.306 ( 4.376 8.829 3.911) 10.601 10.416 ( -6.573 8.044 -5.576) 11.790 10.615 ( -6.802 -10.503 8.377) 15.058 10.712 ( 4.922 -1.550 3.193) 6.068 10.788 ( 1.233 -4.316 0.363) 4.503 10.875 ( 2.381 -1.170 -3.253) 4.198 11.054 ( 0.634 -3.782 5.141) 6.414 11.157 ( 1.405 -6.296 -3.807) 7.490 11.297 ( 1.681 -8.563 3.412) 9.370 11.418 ( -3.802 -4.834 -6.647) 9.056 11.667 ( -2.618 -7.793 3.460) 8.919 11.718 ( 1.748 -7.264 -0.024) 7.471 11.833 ( -3.174 -9.608 -0.038) 10.118 11.868 ( 3.119 -11.226 -3.207) 12.085 12.036 ( 2.166 -9.046 2.445) 9.618 12.055 ( -0.545 -6.711 0.748) 6.775 12.605 ( -2.665 5.028 2.595) 6.254 12.647 ( 1.008 6.523 2.014) 6.901 12.720 ( 0.305 3.957 -2.697) 4.798 12.755 ( -0.434 9.022 -2.684) 9.423 12.923 ( 0.503 2.337 -0.489) 2.440 12.968 ( -0.352 4.471 -3.577) 5.736 13.088 ( 0.215 3.984 1.758) 4.360 13.098 ( -0.106 4.312 0.821) 4.391 13.221 ( 0.750 8.538 2.099) 8.824 13.230 ( 0.012 9.504 1.393) 9.606 13.295 ( 0.265 5.970 2.650) 6.537 13.345 ( -0.481 6.452 -1.278) 6.595 14.382 ( 0.748 -2.235 0.869) 2.512 14.407 ( -0.609 -2.293 -1.063) 2.600 14.517 ( -1.220 -6.051 3.565) 7.128 14.596 ( 1.985 -6.514 -2.698) 7.325 14.889 ( 2.120 -1.642 1.918) 3.297 14.930 ( -1.624 -2.392 -1.354) 3.192 15.045 ( 2.775 -2.997 3.866) 5.624 15.149 ( 0.345 -8.593 -0.387) 8.608 15.302 ( 3.010 -1.047 0.444) 3.218 15.435 ( -11.042 -2.160 -5.169) 12.382 15.641 ( -12.202 -9.170 1.712) 15.359 15.701 ( 14.311 -7.768 -2.537) 16.479 18.059 ( -0.363 4.852 2.679) 5.554 18.153 ( -0.516 5.437 -5.247) 7.574 18.282 ( 3.250 -2.173 0.273) 3.919 18.295 ( -1.881 -0.816 -0.749) 2.183 18.445 ( 0.471 2.484 3.310) 4.165 18.542 ( 0.597 0.650 -3.489) 3.599 18.580 ( -1.665 1.640 4.843) 5.377 18.688 ( 0.346 3.500 -3.310) 4.830 18.783 ( 1.961 -0.581 1.690) 2.653 18.827 ( -1.517 -0.455 -1.915) 2.485 19.047 ( 0.914 -0.876 1.253) 1.781 19.076 ( -1.486 -0.031 -0.897) 1.736 20.988 ( -5.236 0.250 0.705) 5.289 21.076 ( 5.790 2.291 -5.958) 8.617 21.360 ( -0.249 1.604 8.564) 8.717 21.491 ( 0.486 -0.188 -1.399) 1.493 23.045 ( 0.656 -2.392 3.624) 4.392 23.149 ( 0.394 -1.393 -4.920) 5.129 23.265 ( 0.068 -3.499 0.463) 3.530 23.273 ( -0.862 -2.421 -0.235) 2.581 23.567 ( 1.735 0.673 1.157) 2.191 23.605 ( -0.294 0.010 -1.736) 1.761 23.620 ( -4.142 -3.430 3.605) 6.475 23.702 ( 2.532 -3.233 -3.083) 5.135 ======================= Grid point 85 (37/50) ======================= q-point: (-0.33 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.353 ( -12.433 17.553 0.114) 21.511 1.397 ( -7.024 17.516 1.527) 18.934 1.580 ( 5.991 2.642 -2.812) 7.126 1.722 ( 5.086 0.730 -0.345) 5.150 1.814 ( -1.276 -1.974 -1.350) 2.711 1.903 ( 6.158 2.856 0.261) 6.793 1.932 ( -2.438 3.523 2.219) 4.824 2.014 ( 2.131 4.290 -1.583) 5.045 2.088 ( -4.217 2.110 2.269) 5.233 2.164 ( 2.290 -3.032 1.129) 3.964 2.223 ( -5.805 -3.668 1.806) 7.100 2.320 ( 1.375 -3.342 -0.372) 3.633 2.374 ( 5.504 -5.331 -2.344) 8.013 2.425 ( 3.627 -4.094 1.798) 5.757 2.466 ( 3.451 -3.581 -2.065) 5.385 2.506 ( -5.139 1.421 3.166) 6.201 2.564 ( -3.719 13.580 0.510) 14.090 2.634 ( -4.457 3.421 2.297) 6.070 2.661 ( 0.540 -2.583 -0.653) 2.718 2.745 ( 0.855 2.233 -0.826) 2.530 2.760 ( -0.132 -1.306 2.955) 3.233 2.800 ( -1.059 -2.472 -2.691) 3.805 2.847 ( 1.133 6.715 -3.664) 7.733 2.891 ( 0.955 3.363 -0.466) 3.527 2.956 ( 2.415 -3.799 -1.546) 4.760 3.030 ( -6.788 -11.010 1.033) 12.975 3.092 ( -7.985 0.529 0.004) 8.003 3.139 ( -5.505 -1.278 1.230) 5.783 3.204 ( -3.315 0.003 -1.772) 3.759 3.279 ( 0.800 -6.736 -0.651) 6.815 3.343 ( 2.789 -1.046 -0.875) 3.104 3.381 ( -0.535 -2.506 1.076) 2.779 3.447 ( 1.482 -3.850 -1.025) 4.251 3.458 ( -1.991 -4.785 2.199) 5.630 3.536 ( 1.145 -8.720 -3.286) 9.388 3.561 ( 1.594 -2.844 -0.061) 3.261 3.585 ( 3.188 -6.534 -2.477) 7.681 3.627 ( -6.286 -9.873 3.085) 12.104 3.675 ( -1.729 -5.247 -1.117) 5.636 3.751 ( 3.881 -11.276 -2.763) 12.241 3.837 ( 4.086 -4.478 -3.004) 6.766 3.904 ( 5.265 -0.991 3.733) 6.529 3.974 ( -0.529 -5.822 7.906) 9.833 4.001 ( 1.192 0.171 -6.255) 6.370 4.016 ( 7.529 -0.675 0.427) 7.572 4.085 ( 1.256 6.043 -3.760) 7.228 4.180 ( 6.870 0.041 2.012) 7.159 4.225 ( -2.629 -0.190 5.686) 6.267 4.334 ( 3.254 -1.872 2.914) 4.753 4.396 ( 2.371 2.848 -0.837) 3.799 4.496 ( -3.011 -1.374 -5.179) 6.146 4.570 ( -2.329 -0.731 -1.202) 2.721 4.622 ( 2.048 1.003 -0.328) 2.304 4.653 ( -3.487 1.937 5.799) 7.038 4.722 ( 1.498 0.865 4.627) 4.940 4.765 ( -3.738 3.787 4.333) 6.862 4.819 ( 2.968 0.584 -4.354) 5.302 4.865 ( 1.250 -3.883 -2.018) 4.551 4.939 ( 1.142 6.853 -8.263) 10.796 4.997 ( 2.823 1.756 3.329) 4.705 5.028 ( -0.072 -2.890 6.440) 7.059 5.042 ( 3.588 -1.197 0.418) 3.806 5.101 ( 2.615 0.559 1.694) 3.165 5.163 ( 2.698 -0.085 -5.738) 6.342 5.232 ( -3.003 -4.347 -1.337) 5.450 5.316 ( -0.641 2.960 1.885) 3.568 5.370 ( -5.258 3.171 -5.495) 8.240 5.471 ( -4.097 -0.152 4.226) 5.888 5.527 ( 3.179 1.547 -1.182) 3.728 5.576 ( 3.458 1.243 -3.234) 4.895 5.630 ( 7.481 0.639 2.514) 7.918 5.663 ( 2.895 -1.981 3.266) 4.793 5.770 ( -5.531 2.733 -4.175) 7.449 5.878 ( -2.081 4.393 1.753) 5.167 6.010 ( 5.278 -1.225 2.641) 6.028 6.032 ( 1.685 0.947 -0.849) 2.111 6.113 ( -7.547 -0.890 -3.225) 8.255 6.242 ( 0.702 -2.615 5.348) 5.994 6.336 ( -5.437 0.207 -2.419) 5.955 6.360 ( -8.716 -6.046 -5.871) 12.124 6.482 ( -1.687 -3.321 0.085) 3.726 6.529 ( 5.112 -2.475 1.214) 5.808 6.657 ( -2.215 -0.375 2.776) 3.571 6.729 ( 3.139 -3.734 -1.026) 4.985 6.847 ( -3.712 2.921 1.470) 4.947 6.937 ( 1.482 2.396 -3.113) 4.198 6.958 ( -6.591 -5.197 1.251) 8.486 7.114 ( -0.103 1.072 1.118) 1.552 7.222 ( -4.575 10.962 -0.786) 11.904 7.330 ( 0.826 4.221 0.116) 4.303 7.574 ( -6.859 0.137 2.929) 7.460 7.677 ( -3.197 3.385 1.622) 4.930 7.690 ( 1.009 -3.539 -0.458) 3.709 7.761 ( 1.616 -0.405 -0.520) 1.745 7.822 ( -3.131 0.550 2.238) 3.888 7.965 ( 3.355 1.930 -2.981) 4.886 7.977 ( -1.869 0.130 -6.474) 6.739 8.092 ( 0.379 -1.246 3.004) 3.274 8.199 ( -5.446 -0.995 -1.500) 5.736 8.286 ( -0.868 -1.715 1.639) 2.526 8.316 ( -0.299 2.529 6.537) 7.015 8.352 ( 5.427 3.846 -2.638) 7.156 8.598 ( -2.309 5.408 0.186) 5.883 8.687 ( 3.893 2.687 -2.287) 5.254 8.903 ( -8.849 2.322 -0.646) 9.172 9.001 ( -9.382 9.204 0.471) 13.151 9.166 ( 5.455 6.114 0.301) 8.200 9.214 ( -0.777 10.276 -0.315) 10.311 9.275 ( -1.631 11.753 0.368) 11.872 9.365 ( 2.953 6.832 -3.396) 8.181 9.509 ( 0.949 8.001 6.366) 10.269 9.599 ( 3.058 12.662 0.372) 13.032 9.791 ( 8.009 5.584 -3.617) 10.412 10.013 ( -3.126 0.685 -0.111) 3.202 10.094 ( -2.109 2.787 -1.889) 3.973 10.155 ( 9.602 1.966 -1.497) 9.914 10.334 ( 6.709 11.865 2.120) 13.794 10.477 ( 2.346 -4.945 3.511) 6.503 10.629 ( 1.575 -2.080 4.582) 5.273 10.771 ( -3.051 0.090 -2.530) 3.964 10.805 ( 3.312 -4.643 -0.813) 5.761 10.845 ( 2.451 -5.458 -4.090) 7.247 11.089 ( -2.209 -3.864 2.487) 5.098 11.118 ( 0.896 -5.451 -5.890) 8.075 11.274 ( -4.607 -6.644 -1.458) 8.215 11.339 ( -5.420 -10.528 4.076) 12.523 11.628 ( -7.119 -7.710 0.491) 10.506 11.707 ( -3.508 -5.332 -1.355) 6.524 11.772 ( 0.898 -6.918 5.320) 8.773 11.896 ( 1.228 -9.356 -3.387) 10.026 12.054 ( 2.383 -11.881 -0.474) 12.127 12.132 ( 5.730 -5.232 -1.128) 7.841 12.576 ( -4.201 3.252 2.840) 6.024 12.679 ( 1.665 2.624 -0.482) 3.145 12.733 ( 3.220 8.435 0.334) 9.035 12.784 ( 4.774 7.884 -0.280) 9.221 12.889 ( -1.433 6.239 0.401) 6.414 12.990 ( 2.958 2.966 -0.295) 4.199 13.080 ( -1.292 3.885 -0.711) 4.156 13.100 ( -0.479 6.818 0.043) 6.835 13.217 ( -1.106 10.332 -0.510) 10.404 13.255 ( 0.301 5.510 0.397) 5.533 13.300 ( -2.254 6.150 -1.428) 6.704 13.321 ( -0.412 5.425 1.308) 5.595 14.375 ( -1.331 -2.345 -1.193) 2.948 14.396 ( -0.346 -1.725 0.962) 2.005 14.517 ( -2.934 -4.863 2.740) 6.306 14.570 ( -1.065 -7.210 -3.955) 8.293 14.829 ( -5.508 0.055 -1.185) 5.634 14.926 ( -3.261 -1.652 -0.152) 3.658 15.059 ( -0.859 -2.810 -3.803) 4.806 15.103 ( -1.659 -6.784 2.228) 7.331 15.330 ( 2.097 -4.146 -6.325) 7.848 15.363 ( -10.606 -1.609 2.410) 10.995 15.538 ( 7.484 -0.906 15.056) 16.838 16.025 ( 22.421 -22.111 -4.548) 31.817 18.101 ( 0.719 5.947 0.971) 6.068 18.114 ( 2.142 3.973 -0.066) 4.514 18.269 ( 0.919 0.294 -1.160) 1.509 18.339 ( 2.844 -1.641 -0.429) 3.311 18.478 ( -0.079 1.971 -0.933) 2.182 18.507 ( 0.412 2.009 -0.434) 2.096 18.595 ( -2.792 3.168 2.510) 4.913 18.667 ( -0.341 2.571 -0.892) 2.743 18.772 ( -0.876 -1.683 -2.031) 2.780 18.830 ( 0.927 -0.908 1.407) 1.914 19.029 ( -2.462 -0.393 -0.605) 2.566 19.081 ( 0.660 -0.442 1.438) 1.643 20.910 ( -6.859 7.379 3.663) 10.720 21.085 ( 2.477 -1.933 -4.505) 5.492 21.424 ( -0.720 0.442 1.330) 1.576 21.486 ( 2.691 0.376 -1.670) 3.190 23.105 ( 1.710 -1.700 -3.244) 4.042 23.114 ( 2.017 -1.289 1.918) 3.068 23.268 ( 1.510 -3.092 0.294) 3.453 23.304 ( 2.551 -3.064 0.486) 4.017 23.513 ( -6.612 0.599 -1.463) 6.798 23.523 ( -5.850 -1.388 0.705) 6.054 23.636 ( -1.679 -0.501 3.988) 4.356 23.737 ( 4.311 -4.982 -2.885) 7.192 ======================= Grid point 86 (38/50) ======================= q-point: (-0.17 0.22 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( -10.169 21.526 4.760) 24.278 1.309 ( -7.120 22.592 4.544) 24.119 1.593 ( 2.144 4.660 -8.849) 10.228 1.725 ( -1.313 3.942 -4.489) 6.117 1.790 ( 3.889 0.002 -2.003) 4.375 1.884 ( 1.603 1.612 -1.940) 2.989 2.032 ( -0.848 6.439 4.063) 7.661 2.065 ( -6.422 0.032 6.296) 8.993 2.103 ( 1.802 -6.181 6.277) 8.992 2.120 ( 4.161 0.441 -3.970) 5.768 2.230 ( 5.045 -4.371 -2.821) 7.247 2.310 ( -7.110 17.928 3.419) 19.587 2.400 ( -1.861 -2.794 0.215) 3.364 2.448 ( 2.617 -1.623 -0.035) 3.080 2.492 ( 3.210 -4.467 3.356) 6.444 2.558 ( -1.244 1.619 -0.187) 2.050 2.567 ( 0.119 -1.838 0.644) 1.951 2.602 ( 3.617 1.923 0.808) 4.176 2.648 ( 1.844 -1.512 3.083) 3.898 2.742 ( -0.180 3.517 -0.236) 3.530 2.746 ( -2.429 3.373 0.712) 4.217 2.827 ( -1.496 -2.203 0.250) 2.674 2.883 ( 2.662 -2.500 -2.791) 4.596 2.916 ( 0.285 -1.965 -5.837) 6.165 2.948 ( 5.198 -0.711 0.028) 5.246 2.982 ( -6.596 -5.201 4.427) 9.495 3.019 ( -0.615 1.637 -2.250) 2.849 3.057 ( 5.741 -9.987 -0.433) 11.527 3.193 ( -2.001 -1.898 2.381) 3.644 3.271 ( 1.172 3.217 -1.212) 3.632 3.326 ( -0.097 -0.166 -5.184) 5.187 3.384 ( -0.903 -1.662 0.992) 2.136 3.410 ( -4.527 -1.847 1.181) 5.030 3.431 ( -1.538 -3.360 -5.296) 6.457 3.501 ( 0.365 -0.779 2.877) 3.003 3.539 ( -6.104 -2.318 -0.261) 6.535 3.548 ( -2.169 -3.872 0.646) 4.485 3.585 ( 1.929 -12.643 -4.950) 13.714 3.652 ( 5.384 -8.121 -2.007) 9.948 3.768 ( -2.017 -10.749 -1.471) 11.035 3.867 ( 0.812 -10.951 1.787) 11.126 3.932 ( -2.278 -10.202 0.831) 10.486 3.968 ( 2.668 -3.785 -2.989) 5.512 3.988 ( -4.604 -2.843 -0.236) 5.416 4.108 ( -2.472 -0.700 -0.291) 2.585 4.143 ( 2.045 -0.389 0.808) 2.232 4.182 ( -0.126 -5.327 -1.861) 5.645 4.335 ( 5.747 3.961 -3.967) 8.029 4.384 ( 1.127 -1.247 9.052) 9.207 4.485 ( 2.475 -1.072 0.691) 2.784 4.512 ( -2.402 -3.992 -1.437) 4.875 4.530 ( 5.438 -2.274 0.498) 5.915 4.640 ( 0.032 1.181 5.805) 5.924 4.674 ( -4.044 2.133 -0.130) 4.574 4.685 ( 1.895 -2.375 0.388) 3.063 4.795 ( 0.798 4.724 -2.171) 5.260 4.826 ( 6.162 1.119 -0.411) 6.277 4.897 ( 3.693 -1.535 1.569) 4.296 4.958 ( 4.433 3.229 0.494) 5.506 5.038 ( -0.200 2.019 -5.374) 5.745 5.076 ( -1.109 2.821 2.690) 4.053 5.101 ( -3.394 1.091 1.409) 3.833 5.146 ( 3.072 1.257 0.748) 3.402 5.180 ( -0.839 1.175 -2.222) 2.650 5.200 ( 7.300 -2.900 2.712) 8.310 5.244 ( -0.989 -2.723 -2.099) 3.578 5.340 ( -0.485 2.155 3.777) 4.376 5.505 ( 0.547 1.208 -0.016) 1.326 5.546 ( -4.600 3.043 -6.616) 8.613 5.591 ( 2.059 1.935 0.999) 2.997 5.612 ( 1.314 1.251 0.985) 2.065 5.751 ( -2.624 -1.028 5.487) 6.168 5.783 ( 7.165 0.753 1.866) 7.443 5.822 ( -5.005 3.191 -1.680) 6.169 5.923 ( -9.181 -2.437 1.861) 9.680 6.086 ( 2.117 -1.943 -2.587) 3.867 6.113 ( 2.688 0.455 -1.156) 2.961 6.143 ( -4.784 -3.720 -3.474) 6.985 6.231 ( -1.726 2.984 0.557) 3.492 6.296 ( -2.413 0.592 2.240) 3.345 6.446 ( -2.987 -2.899 0.767) 4.232 6.535 ( -2.219 2.147 -2.836) 4.192 6.655 ( -0.627 -2.352 -0.574) 2.500 6.728 ( -1.710 -6.734 -4.159) 8.097 6.823 ( -0.806 1.816 2.760) 3.401 6.877 ( -0.525 -4.336 -0.629) 4.412 6.954 ( 0.268 0.008 1.937) 1.956 7.116 ( 1.450 5.451 0.972) 5.723 7.182 ( -0.390 9.611 1.347) 9.713 7.292 ( -3.731 -2.136 -2.756) 5.107 7.480 ( -9.465 0.661 3.123) 9.989 7.598 ( -8.002 12.278 0.815) 14.678 7.718 ( 3.173 -0.243 -1.632) 3.576 7.744 ( 0.181 -1.220 -1.006) 1.591 7.795 ( -1.873 0.779 -0.738) 2.158 7.928 ( 2.790 4.581 -1.760) 5.645 7.994 ( 1.224 1.517 -0.334) 1.977 8.066 ( -2.943 2.441 -0.402) 3.845 8.131 ( 0.183 0.766 -0.042) 0.788 8.299 ( 0.399 -1.337 -1.167) 1.819 8.384 ( -0.902 8.065 5.680) 9.906 8.478 ( 8.041 4.353 2.218) 9.409 8.550 ( -3.842 3.707 1.053) 5.441 8.695 ( 1.679 3.187 -6.688) 7.597 8.762 ( -6.154 3.418 -1.283) 7.156 8.851 ( -7.335 9.357 0.019) 11.889 9.145 ( -0.607 7.427 -1.747) 7.653 9.190 ( -3.981 19.973 1.245) 20.404 9.262 ( 0.949 12.789 -1.155) 12.876 9.411 ( 1.636 5.093 -0.756) 5.403 9.579 ( -1.599 12.624 6.893) 14.472 9.677 ( 1.286 5.327 0.690) 5.523 9.925 ( 11.084 -7.661 -6.344) 14.892 9.998 ( 4.003 3.472 0.792) 5.358 10.089 ( 4.441 -0.577 1.878) 4.856 10.287 ( 5.793 0.606 0.921) 5.897 10.427 ( -1.966 1.833 1.472) 3.064 10.560 ( 0.569 -10.605 7.584) 13.050 10.685 ( -2.513 -1.459 1.960) 3.505 10.702 ( 3.180 -0.769 -5.045) 6.013 10.776 ( 2.351 1.078 -4.222) 4.951 10.947 ( 9.402 -4.101 -1.170) 10.324 11.034 ( -4.507 -6.992 -1.010) 8.380 11.103 ( 1.657 -5.322 -1.457) 5.761 11.222 ( -1.150 -7.691 0.011) 7.777 11.246 ( -8.277 -9.577 3.583) 13.156 11.466 ( -9.280 -4.216 -1.921) 10.372 11.575 ( -7.414 -4.975 -4.386) 9.947 11.868 ( 2.653 -5.552 -2.648) 6.699 11.931 ( 3.445 -10.257 6.369) 12.556 12.069 ( 0.412 -10.210 -1.036) 10.271 12.209 ( 5.477 -5.625 -2.701) 8.303 12.536 ( -3.066 3.849 1.825) 5.249 12.706 ( 0.674 3.357 1.052) 3.582 12.802 ( 5.769 6.156 -2.208) 8.721 12.855 ( 1.478 5.554 2.468) 6.255 12.904 ( 0.967 7.823 0.226) 7.886 12.993 ( -1.150 4.411 -4.222) 6.213 13.054 ( 0.575 7.599 -0.338) 7.628 13.104 ( 1.170 7.636 0.545) 7.744 13.188 ( -0.374 9.029 -2.050) 9.267 13.234 ( -2.679 7.434 -0.495) 7.917 13.250 ( -1.683 2.122 -0.434) 2.743 13.320 ( -0.128 3.663 -0.835) 3.760 14.353 ( 0.295 -1.749 -0.332) 1.805 14.396 ( -0.313 -1.108 0.574) 1.286 14.477 ( -3.885 -4.072 -3.176) 6.463 14.484 ( -3.635 -3.438 0.650) 5.045 14.739 ( -3.645 2.322 0.099) 4.323 14.851 ( -2.733 4.033 -1.380) 5.063 15.052 ( -0.299 -3.979 -0.690) 4.049 15.081 ( -1.903 -7.370 0.768) 7.651 15.215 ( -3.414 0.753 -0.896) 3.609 15.317 ( 1.285 -0.367 -4.795) 4.978 15.906 ( 6.241 -15.184 21.979) 27.434 16.292 ( 16.439 -36.016 -6.652) 40.145 18.128 ( 5.850 4.862 -2.432) 7.986 18.205 ( 2.725 5.526 4.850) 7.841 18.300 ( 3.698 0.938 -0.685) 3.876 18.359 ( 0.922 -0.004 -1.512) 1.771 18.462 ( 1.845 2.803 -2.490) 4.178 18.498 ( -3.288 3.740 1.407) 5.174 18.567 ( -3.490 1.808 1.022) 4.061 18.610 ( -4.149 2.094 -0.683) 4.697 18.775 ( 1.887 -3.082 -0.553) 3.656 18.841 ( -0.545 -1.483 0.145) 1.586 18.991 ( -1.954 -0.049 0.973) 2.183 19.089 ( -0.666 0.090 -0.455) 0.812 20.855 ( -5.994 14.860 5.987) 17.105 21.074 ( 0.487 -3.817 -1.023) 3.981 21.371 ( 0.428 4.166 -8.422) 9.405 21.513 ( 1.498 0.575 -2.097) 2.640 23.119 ( 3.738 -0.852 -1.777) 4.226 23.174 ( 2.974 0.351 1.329) 3.276 23.316 ( 1.560 -2.623 0.593) 3.109 23.345 ( 1.441 -2.976 -0.185) 3.312 23.395 ( -4.833 -1.124 0.354) 4.974 23.431 ( -5.058 -1.240 0.330) 5.218 23.634 ( -4.571 -2.066 5.826) 7.688 23.768 ( 3.331 -5.960 -3.083) 7.492 ======================= Grid point 87 (39/50) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.533 ( -0.138 16.139 4.161) 16.667 1.632 ( 0.231 12.699 -4.029) 13.325 1.751 ( 0.005 13.057 2.339) 13.265 1.788 ( -0.808 1.536 -0.636) 1.849 1.813 ( -0.617 -1.056 1.217) 1.725 1.883 ( 0.670 7.706 -4.681) 9.041 1.999 ( 0.753 -2.674 3.759) 4.674 2.028 ( 2.228 -0.911 2.841) 3.724 2.112 ( -3.020 -2.603 -1.470) 4.249 2.150 ( -0.132 -2.548 -3.446) 4.288 2.189 ( -2.684 -0.034 3.554) 4.453 2.291 ( 4.712 -1.200 -3.412) 5.941 2.345 ( -7.618 -5.271 3.561) 9.924 2.423 ( 6.297 -4.121 -3.702) 8.387 2.491 ( -0.698 -3.500 2.334) 4.265 2.532 ( 0.450 -0.067 0.065) 0.460 2.545 ( 0.634 -1.488 0.612) 1.729 2.614 ( -0.496 -4.829 -2.783) 5.596 2.663 ( 5.273 -2.857 0.531) 6.021 2.701 ( -3.320 -1.306 -2.044) 4.112 2.749 ( -4.292 1.024 3.139) 5.415 2.825 ( 2.661 0.876 -1.623) 3.238 2.868 ( -5.482 -3.385 0.399) 6.455 2.892 ( 3.129 -1.624 3.610) 5.046 2.950 ( 5.399 -2.951 -1.075) 6.246 3.020 ( -0.660 -5.093 -0.270) 5.143 3.055 ( 4.207 -0.400 0.298) 4.236 3.069 ( -3.426 -5.946 1.229) 6.971 3.130 ( -0.511 -2.034 4.464) 4.932 3.224 ( -3.225 -3.298 0.881) 4.696 3.251 ( -1.689 -2.824 -1.801) 3.752 3.278 ( 0.191 -8.666 -1.665) 8.826 3.305 ( 0.645 -0.265 1.365) 1.532 3.404 ( 5.708 -5.414 -3.586) 8.646 3.448 ( -3.264 0.120 0.681) 3.336 3.493 ( 2.706 -1.212 -4.083) 5.046 3.541 ( -1.886 -6.789 4.207) 8.206 3.595 ( 0.685 1.664 2.984) 3.484 3.606 ( 3.206 2.947 6.976) 8.223 3.645 ( -2.843 -0.707 1.099) 3.129 3.725 ( 7.301 1.333 1.080) 7.500 3.756 ( -3.635 -0.170 3.568) 5.096 3.803 ( -4.045 -4.361 -4.084) 7.215 3.894 ( -4.097 -1.197 -4.645) 6.309 3.909 ( -0.214 -6.933 -7.929) 10.535 4.009 ( -0.299 10.520 -10.625) 14.955 4.190 ( -1.839 -1.501 -0.196) 2.382 4.218 ( 3.163 -2.666 -1.193) 4.306 4.407 ( 6.890 -3.762 3.623) 8.646 4.471 ( -4.022 1.015 -2.746) 4.975 4.526 ( -0.532 -3.098 3.189) 4.478 4.574 ( -3.894 1.147 2.835) 4.951 4.624 ( 0.983 -3.755 -3.951) 5.538 4.675 ( 1.592 -0.046 0.611) 1.706 4.739 ( -0.290 0.069 1.920) 1.943 4.776 ( 0.694 -2.986 -2.284) 3.823 4.890 ( -0.373 -0.254 6.387) 6.402 4.927 ( -1.166 3.008 1.926) 3.757 4.996 ( -0.020 -2.157 0.948) 2.356 5.027 ( -7.020 -3.361 0.069) 7.783 5.080 ( -1.228 0.552 -5.955) 6.105 5.090 ( 0.548 2.477 -1.413) 2.904 5.167 ( -0.624 1.239 -4.074) 4.303 5.194 ( 2.622 0.504 -1.363) 2.998 5.211 ( 0.554 1.341 -0.214) 1.467 5.312 ( 4.569 -2.181 -2.074) 5.472 5.370 ( 1.355 2.366 7.477) 7.958 5.472 ( 3.482 -1.141 4.574) 5.861 5.597 ( -1.597 -0.172 -0.898) 1.840 5.672 ( -0.784 0.396 -0.812) 1.196 5.703 ( 1.096 3.200 0.082) 3.383 5.735 ( -1.893 2.119 -1.243) 3.102 5.816 ( 1.989 2.239 5.557) 6.313 5.865 ( -0.189 1.511 1.414) 2.078 5.964 ( -0.854 1.641 2.197) 2.872 5.973 ( 1.683 -1.260 1.178) 2.410 6.013 ( 1.508 -3.223 0.315) 3.573 6.160 ( -7.160 -6.083 -5.687) 10.982 6.280 ( 3.977 -0.179 3.281) 5.159 6.328 ( 3.501 4.086 3.642) 6.497 6.397 ( -2.296 0.547 -1.672) 2.892 6.423 ( -1.229 -0.841 -5.759) 5.949 6.567 ( -4.872 0.690 -0.756) 4.979 6.631 ( 4.932 0.519 -4.475) 6.679 6.810 ( -3.184 -3.554 3.160) 5.723 6.834 ( 2.641 -2.576 0.454) 3.717 7.020 ( 2.113 0.701 3.684) 4.305 7.139 ( -3.105 -2.302 -4.927) 6.262 7.305 ( 3.708 7.344 3.055) 8.775 7.383 ( -0.830 9.366 -2.718) 9.788 7.454 ( -2.379 0.315 5.866) 6.337 7.599 ( 0.199 -0.144 -5.357) 5.363 7.740 ( -0.392 -2.098 0.935) 2.330 7.759 ( -1.497 2.458 0.546) 2.929 7.873 ( -0.365 5.454 -0.238) 5.471 7.929 ( 0.053 2.639 -5.611) 6.201 8.050 ( 0.511 -1.304 3.191) 3.485 8.109 ( 2.572 -1.008 -0.311) 2.780 8.159 ( 1.046 -1.581 2.902) 3.466 8.249 ( -0.874 -0.865 -3.327) 3.547 8.485 ( -2.041 1.585 4.136) 4.877 8.537 ( -0.772 0.183 1.547) 1.739 8.646 ( -3.154 3.723 -0.144) 4.882 8.704 ( 1.589 3.831 -5.856) 7.176 8.860 ( 4.177 8.022 3.920) 9.857 8.957 ( -1.451 8.650 -4.070) 9.669 9.247 ( 3.152 0.687 3.142) 4.504 9.303 ( -2.713 0.214 -1.644) 3.180 9.549 ( -2.151 8.228 1.343) 8.610 9.575 ( 1.589 4.529 -0.848) 4.874 9.763 ( -1.541 5.412 3.165) 6.456 9.851 ( 1.533 15.064 -3.615) 15.568 9.984 ( 1.129 6.522 2.260) 6.994 10.071 ( 1.458 2.466 -3.172) 4.274 10.193 ( -8.253 -6.755 4.075) 11.417 10.301 ( 7.680 -0.568 -4.451) 8.895 10.389 ( -0.682 -1.238 2.486) 2.860 10.449 ( 1.539 1.682 -1.995) 3.029 10.560 ( -4.530 3.666 7.950) 9.857 10.730 ( 1.578 0.194 -5.173) 5.412 10.844 ( -3.583 -4.682 0.652) 5.931 10.873 ( 2.176 -6.845 -0.461) 7.197 10.981 ( 7.228 1.720 2.709) 7.908 11.011 ( -2.620 -0.752 -1.336) 3.036 11.066 ( -4.403 -2.899 2.176) 5.703 11.130 ( 3.051 -3.149 -0.759) 4.450 11.397 ( 0.751 1.901 -2.633) 3.334 11.398 ( -1.636 2.769 -2.333) 3.973 11.735 ( -2.662 -9.082 1.206) 9.540 11.769 ( 2.134 -9.317 -1.149) 9.627 11.919 ( 0.307 -11.793 3.531) 12.314 12.020 ( 0.331 -11.923 -4.801) 12.857 12.643 ( -2.120 5.386 8.441) 10.235 12.837 ( 3.662 5.767 -4.426) 8.140 12.872 ( -1.062 -0.533 2.327) 2.613 12.965 ( 0.593 2.207 -0.332) 2.309 12.993 ( -4.269 5.114 0.408) 6.674 13.077 ( 2.788 4.948 -3.310) 6.574 13.167 ( 1.881 1.167 -0.922) 2.398 13.187 ( -1.206 -1.547 -2.262) 2.994 13.261 ( -0.924 7.329 1.859) 7.618 13.316 ( 0.672 6.727 -2.521) 7.216 13.347 ( -0.687 5.184 1.663) 5.487 13.392 ( 0.300 4.818 -1.794) 5.150 14.350 ( 1.363 -2.070 1.145) 2.730 14.360 ( -1.348 -2.074 1.159) 2.732 14.380 ( 0.127 -1.723 -0.867) 1.933 14.402 ( 0.338 -1.517 -1.793) 2.373 14.813 ( 1.398 4.270 3.490) 5.689 14.899 ( -1.601 4.337 -3.455) 5.772 14.980 ( 0.748 -1.096 0.358) 1.374 14.987 ( 0.326 -1.317 -0.217) 1.374 15.233 ( 1.272 1.035 1.716) 2.374 15.293 ( 0.780 -0.174 -2.890) 2.998 15.608 ( -11.442 -19.871 7.994) 24.284 15.774 ( 7.245 -24.940 -5.685) 26.586 18.267 ( 0.281 1.240 1.482) 1.953 18.284 ( -3.538 2.122 0.415) 4.146 18.383 ( 0.332 1.791 -0.149) 1.827 18.401 ( 3.882 3.407 -1.337) 5.335 18.550 ( -2.043 3.754 0.592) 4.315 18.563 ( -1.105 4.420 0.531) 4.587 18.580 ( 1.668 2.208 -0.475) 2.807 18.591 ( 1.575 2.655 -1.513) 3.438 18.753 ( 1.843 -2.044 0.266) 2.765 18.765 ( -2.461 -2.624 -0.702) 3.665 19.009 ( 0.749 0.190 1.910) 2.060 19.051 ( -1.316 -1.000 -1.522) 2.247 21.016 ( -2.598 2.829 4.216) 5.704 21.077 ( 3.159 -1.440 1.464) 3.768 21.431 ( -0.222 5.064 -1.158) 5.200 21.506 ( 0.160 2.030 -5.031) 5.428 23.201 ( 3.248 2.025 0.133) 3.830 23.213 ( -4.164 1.250 -0.900) 4.440 23.273 ( 2.906 -1.481 1.255) 3.495 23.295 ( -2.045 -2.104 -0.552) 2.985 23.341 ( -0.965 -0.978 0.468) 1.452 23.356 ( 2.673 -2.317 -0.901) 3.650 23.547 ( -4.166 -4.871 4.830) 8.026 23.640 ( 2.618 -7.577 -2.913) 8.530 ======================= Grid point 88 (40/50) ======================= q-point: ( 0.17 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.577 ( -1.725 11.841 -0.315) 11.970 1.600 ( 2.631 10.687 -0.088) 11.006 1.685 ( -4.008 5.076 -0.017) 6.467 1.807 ( 0.060 1.009 -1.569) 1.866 1.851 ( 2.602 4.593 3.032) 6.088 1.892 ( 3.194 10.011 -1.626) 10.633 1.996 ( -6.388 -7.803 1.085) 10.143 2.094 ( 1.316 -2.287 0.832) 2.767 2.106 ( 0.047 4.673 2.134) 5.138 2.142 ( 2.917 0.774 0.619) 3.081 2.170 ( 0.231 -0.142 0.479) 0.550 2.261 ( -1.550 -3.130 -3.471) 4.924 2.306 ( 0.782 -3.378 -2.308) 4.166 2.405 ( -4.771 0.694 -0.301) 4.831 2.489 ( -2.718 0.867 4.401) 5.245 2.523 ( -4.152 -3.591 0.210) 5.493 2.585 ( 0.848 -5.372 0.986) 5.527 2.604 ( 1.349 -3.842 -0.376) 4.089 2.671 ( 0.045 -3.243 -1.354) 3.515 2.679 ( 4.787 -4.455 -4.654) 8.026 2.752 ( -1.225 -1.322 3.275) 3.738 2.793 ( 1.402 -1.149 -1.454) 2.324 2.855 ( -4.349 -6.536 -1.655) 8.023 2.882 ( -0.232 -0.791 -0.012) 0.824 2.940 ( -2.710 -2.021 -1.973) 3.914 3.019 ( 0.581 1.191 3.382) 3.632 3.079 ( -3.602 -1.627 -2.112) 4.481 3.109 ( 2.041 -4.139 0.122) 4.617 3.144 ( 3.096 -4.621 0.053) 5.562 3.173 ( -2.333 -4.976 0.502) 5.519 3.231 ( -5.194 -2.596 3.133) 6.598 3.267 ( 5.323 -4.424 2.584) 7.388 3.317 ( 0.250 -8.060 -1.180) 8.150 3.378 ( -7.317 5.718 -3.807) 10.037 3.392 ( -1.952 -0.378 -2.530) 3.218 3.498 ( 0.055 5.529 2.833) 6.212 3.521 ( 0.900 -5.928 -3.777) 7.087 3.572 ( -0.409 -4.982 -1.788) 5.309 3.605 ( -1.184 -2.147 -0.440) 2.491 3.681 ( 1.169 -7.538 1.580) 7.790 3.765 ( -0.958 -9.727 -0.707) 9.799 3.806 ( 1.123 -1.920 4.180) 4.735 3.839 ( 2.807 5.775 3.374) 7.253 3.941 ( 8.229 3.139 -2.745) 9.225 3.980 ( 14.006 6.478 -1.851) 15.542 4.014 ( 4.870 1.642 5.043) 7.200 4.169 ( 4.460 1.116 -0.317) 4.608 4.311 ( 4.979 -1.721 1.698) 5.535 4.337 ( -2.832 -3.504 -5.965) 7.475 4.469 ( -2.889 -1.026 0.692) 3.143 4.514 ( -4.191 -2.335 0.957) 4.892 4.598 ( 4.780 -4.774 0.916) 6.817 4.654 ( 0.695 2.253 -2.858) 3.705 4.680 ( -2.204 0.654 2.569) 3.447 4.746 ( 7.956 -0.421 -1.512) 8.110 4.794 ( -12.635 -0.165 4.800) 13.517 4.874 ( 0.851 1.686 -1.746) 2.572 4.892 ( -6.398 5.200 4.318) 9.307 4.923 ( -3.826 -1.311 -2.316) 4.661 4.995 ( -2.218 -3.009 1.008) 3.872 5.021 ( -0.618 -2.661 4.654) 5.397 5.102 ( -4.359 1.418 -0.033) 4.584 5.137 ( 2.412 -1.321 1.694) 3.230 5.174 ( 1.113 0.422 -3.585) 3.778 5.200 ( -1.451 1.592 1.374) 2.555 5.307 ( 0.665 0.122 -5.553) 5.594 5.428 ( -4.287 0.117 -4.283) 6.061 5.461 ( 1.924 1.623 -4.155) 4.857 5.573 ( 0.498 1.652 4.319) 4.650 5.631 ( -3.821 -0.982 -0.413) 3.967 5.730 ( 0.059 0.615 -3.797) 3.847 5.779 ( 3.389 0.522 1.933) 3.936 5.797 ( -5.041 0.337 2.081) 5.464 5.891 ( 3.676 3.432 -0.533) 5.057 5.932 ( -0.283 3.965 1.712) 4.328 5.983 ( -3.497 -4.148 -3.408) 6.407 6.091 ( 6.003 -1.403 0.067) 6.165 6.161 ( 1.658 -7.508 4.165) 8.744 6.272 ( -3.802 -0.083 -2.960) 4.819 6.335 ( 2.227 -1.431 -1.409) 2.999 6.421 ( 3.169 4.446 -2.062) 5.836 6.444 ( 6.007 -1.565 5.333) 8.184 6.523 ( -2.310 0.901 3.017) 3.906 6.689 ( 5.106 0.346 -4.497) 6.813 6.772 ( -0.878 -2.413 0.699) 2.661 6.893 ( 2.283 -1.473 0.071) 2.718 7.033 ( -1.837 -0.175 -4.057) 4.457 7.105 ( -0.165 -1.593 5.198) 5.439 7.306 ( 1.311 6.830 -2.616) 7.431 7.372 ( 0.371 8.476 0.107) 8.485 7.528 ( 1.482 -1.167 4.264) 4.663 7.584 ( 3.573 -1.384 -2.964) 4.844 7.744 ( -0.525 0.097 2.085) 2.152 7.757 ( -1.537 -2.782 1.676) 3.594 7.806 ( -3.983 4.929 0.026) 6.337 7.942 ( 0.165 0.773 1.216) 1.450 8.007 ( -2.476 1.606 -2.819) 4.081 8.113 ( -1.227 -2.701 -1.948) 3.549 8.183 ( -1.393 -1.861 -2.807) 3.645 8.240 ( 2.760 0.085 2.379) 3.644 8.483 ( -4.538 1.628 0.218) 4.826 8.494 ( -4.112 1.841 5.213) 6.891 8.614 ( -0.613 1.321 -0.636) 1.589 8.723 ( 4.125 2.725 -0.226) 4.949 8.891 ( 0.417 6.659 -3.630) 7.595 9.032 ( 10.354 9.398 0.958) 14.016 9.208 ( -4.499 -1.003 -1.159) 4.752 9.355 ( 3.623 -0.523 0.218) 3.667 9.476 ( -2.527 7.670 1.471) 8.208 9.663 ( 2.945 12.928 0.059) 13.259 9.780 ( 0.840 8.510 1.827) 8.744 9.827 ( -0.257 7.425 -1.309) 7.544 9.958 ( -3.440 11.318 -2.637) 12.120 10.029 ( -0.264 1.131 -0.933) 1.489 10.147 ( -3.116 -0.261 4.779) 5.711 10.309 ( -4.811 7.176 -1.826) 8.830 10.414 ( 8.579 -8.110 -4.283) 12.558 10.509 ( -2.969 -7.147 3.725) 8.589 10.603 ( 0.588 8.534 4.881) 9.849 10.704 ( 4.452 -2.799 -4.439) 6.882 10.816 ( -1.954 -1.406 2.527) 3.490 10.876 ( -7.783 0.010 -2.911) 8.310 10.914 ( 3.010 -1.255 -1.028) 3.419 11.008 ( -0.755 -2.474 -1.240) 2.868 11.080 ( -0.057 -2.300 1.781) 2.910 11.234 ( 8.755 -4.175 -1.712) 9.850 11.397 ( 2.529 2.430 -0.728) 3.582 11.451 ( 6.686 -0.766 1.891) 6.990 11.664 ( -5.865 -8.204 1.574) 10.207 11.807 ( 1.775 -10.678 -1.057) 10.876 11.880 ( -5.535 -11.304 0.003) 12.587 12.005 ( 0.288 -10.611 -0.555) 10.630 12.702 ( -1.602 6.990 6.281) 9.533 12.792 ( 1.653 4.021 -7.762) 8.896 12.861 ( -3.973 1.615 0.841) 4.370 12.950 ( -4.025 4.940 3.680) 7.359 12.962 ( 0.567 0.889 -0.650) 1.239 13.079 ( 0.920 4.547 -1.895) 5.011 13.117 ( -3.478 -0.947 -0.235) 3.612 13.177 ( -0.851 0.130 0.177) 0.879 13.291 ( 2.399 7.378 0.516) 7.775 13.322 ( 2.102 7.036 -0.737) 7.380 13.363 ( 1.075 5.088 -0.087) 5.201 13.414 ( 3.011 5.219 0.294) 6.032 14.334 ( -0.984 -1.733 -0.490) 2.052 14.365 ( -0.445 -1.365 0.070) 1.438 14.392 ( 0.441 -1.560 0.446) 1.682 14.415 ( 2.846 -4.928 -0.725) 5.737 14.838 ( -0.260 2.901 -2.599) 3.904 14.886 ( 1.452 3.554 2.297) 4.474 14.972 ( 0.249 -3.218 -0.498) 3.266 15.019 ( 1.879 0.071 -0.751) 2.025 15.248 ( -0.745 0.303 -3.308) 3.405 15.291 ( 3.684 1.095 1.174) 4.018 15.516 ( -9.903 -17.061 9.101) 21.725 15.818 ( 2.718 -22.045 -3.495) 22.486 18.194 ( -5.640 5.049 0.312) 7.577 18.263 ( -3.413 0.130 2.064) 3.990 18.362 ( -1.128 0.056 -0.275) 1.162 18.437 ( 1.749 4.546 -5.000) 6.981 18.503 ( -3.560 4.132 1.468) 5.648 18.519 ( -2.305 0.668 0.906) 2.565 18.603 ( 0.772 2.676 1.025) 2.968 18.671 ( 6.041 1.934 -2.073) 6.673 18.733 ( 0.231 -0.814 -0.341) 0.912 18.799 ( 2.434 -1.856 1.131) 3.263 19.014 ( -1.034 -0.727 -1.121) 1.689 19.051 ( 1.165 -0.751 2.005) 2.437 21.018 ( -1.928 1.709 2.543) 3.620 21.120 ( 2.696 -0.898 -3.483) 4.495 21.433 ( -1.435 3.264 4.478) 5.724 21.443 ( -0.798 3.801 -4.254) 5.761 23.090 ( -6.521 0.321 -0.094) 6.530 23.212 ( -2.803 -0.044 -1.385) 3.127 23.249 ( -4.381 -3.173 0.209) 5.413 23.305 ( 1.668 -1.515 0.786) 2.386 23.400 ( 4.333 -0.688 -0.137) 4.389 23.416 ( 7.127 -0.161 -0.398) 7.140 23.558 ( -0.938 -5.446 3.064) 6.319 23.658 ( 2.894 -5.555 -2.163) 6.627 ======================= Grid point 90 (41/50) ======================= q-point: ( 0.33 0.33 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.538 ( -1.700 0.338 -0.347) 1.768 1.584 ( -3.747 0.056 -1.629) 4.086 1.697 ( 1.770 2.386 1.481) 3.319 1.805 ( 4.573 11.077 -4.961) 12.970 1.847 ( -2.925 1.715 1.851) 3.863 1.922 ( -0.814 1.503 1.838) 2.510 1.970 ( 2.249 3.834 3.621) 5.733 2.028 ( -5.536 2.487 0.081) 6.069 2.132 ( -3.284 1.103 0.236) 3.472 2.151 ( -1.005 -1.627 -4.007) 4.440 2.198 ( 2.920 4.754 0.699) 5.623 2.239 ( 1.399 -0.439 -1.872) 2.378 2.326 ( -3.857 -1.744 0.081) 4.234 2.358 ( 5.546 -3.885 0.678) 6.805 2.433 ( -3.128 -0.847 0.048) 3.241 2.505 ( -4.509 1.329 4.533) 6.530 2.566 ( 0.201 -3.144 0.182) 3.156 2.583 ( -4.587 -1.847 2.224) 5.422 2.696 ( 3.276 -0.757 -0.179) 3.367 2.712 ( -2.974 -0.503 -0.894) 3.146 2.742 ( 3.275 -10.301 -1.401) 10.900 2.773 ( 0.263 -3.562 -1.141) 3.749 2.847 ( 4.311 -0.678 -2.882) 5.230 2.873 ( 3.100 -5.694 -0.306) 6.491 2.943 ( -0.673 -0.198 -1.665) 1.807 3.036 ( 2.115 -5.462 1.845) 6.141 3.049 ( -0.492 -2.962 -0.201) 3.010 3.128 ( 0.397 -7.035 1.267) 7.159 3.147 ( -2.497 -0.376 0.123) 2.528 3.160 ( -3.368 -0.647 1.534) 3.757 3.217 ( 0.349 -7.654 1.559) 7.819 3.246 ( -0.621 -6.555 1.181) 6.690 3.334 ( 2.484 0.185 -0.836) 2.627 3.383 ( 3.105 -0.249 -2.031) 3.718 3.388 ( -0.005 -4.120 4.337) 5.982 3.457 ( -0.224 -7.175 -6.890) 9.950 3.517 ( 2.473 -4.301 -3.277) 5.946 3.526 ( -1.096 -2.636 1.223) 3.105 3.622 ( -1.673 0.387 1.839) 2.516 3.740 ( 6.807 -3.361 0.291) 7.597 3.814 ( -0.218 7.736 1.902) 7.969 3.832 ( 2.890 -0.430 3.180) 4.319 3.909 ( -3.436 -0.518 3.158) 4.695 4.005 ( 1.908 3.337 -2.784) 4.746 4.025 ( 1.037 2.230 0.065) 2.460 4.103 ( 1.479 -3.812 -7.216) 8.294 4.293 ( 6.695 3.742 3.158) 8.294 4.324 ( -8.359 5.987 -1.882) 10.452 4.378 ( -3.857 -1.533 5.143) 6.609 4.413 ( 4.194 1.786 -3.800) 5.934 4.461 ( -0.710 1.130 1.187) 1.787 4.562 ( 3.907 0.995 -1.427) 4.277 4.624 ( -5.682 3.699 1.600) 6.966 4.678 ( -1.397 0.792 3.910) 4.227 4.733 ( 4.320 -0.173 -2.473) 4.981 4.810 ( -4.418 -1.559 0.814) 4.755 4.832 ( -3.231 1.509 1.192) 3.760 4.870 ( 1.101 -3.925 -0.118) 4.079 4.912 ( 0.415 -0.064 -0.459) 0.622 4.967 ( -5.959 0.707 3.051) 6.732 5.002 ( -5.847 -1.207 0.649) 6.006 5.062 ( 4.158 -4.626 4.033) 7.414 5.167 ( 3.858 1.720 -2.443) 4.880 5.197 ( 2.468 1.217 0.274) 2.766 5.233 ( -2.809 1.933 -4.403) 5.569 5.284 ( 1.727 3.052 0.234) 3.514 5.307 ( -0.791 -2.506 4.542) 5.248 5.471 ( 3.268 1.625 -4.530) 5.817 5.537 ( -3.480 -4.305 -3.430) 6.513 5.588 ( -2.286 -0.969 -5.228) 5.787 5.678 ( -2.859 -2.364 0.504) 3.744 5.706 ( -0.865 3.559 -0.664) 3.722 5.816 ( -0.046 -4.871 -9.828) 10.969 5.917 ( -0.904 -1.297 7.968) 8.124 5.950 ( 2.811 1.553 2.026) 3.797 6.021 ( 1.156 -0.122 2.229) 2.514 6.067 ( -2.552 5.045 0.112) 5.655 6.199 ( 2.379 0.223 -0.009) 2.389 6.243 ( -0.421 -6.421 -2.191) 6.798 6.396 ( 3.561 -3.654 -0.849) 5.172 6.440 ( 2.439 3.507 -2.637) 5.020 6.513 ( -3.918 -2.522 0.972) 4.760 6.594 ( 2.189 -0.890 6.890) 7.284 6.663 ( 2.032 -0.425 -1.774) 2.731 6.825 ( 4.174 -1.354 -1.876) 4.772 6.919 ( 2.800 -1.735 -1.635) 3.677 7.008 ( 1.267 2.331 0.200) 2.660 7.108 ( -3.547 -0.339 2.291) 4.236 7.365 ( 5.952 5.245 -0.950) 7.990 7.415 ( 5.484 4.000 0.930) 6.852 7.576 ( -1.341 -2.790 3.820) 4.917 7.621 ( 4.205 -0.841 -1.907) 4.693 7.686 ( -4.216 0.596 -0.212) 4.264 7.740 ( -5.397 1.071 -0.616) 5.537 7.801 ( -2.253 -3.309 7.014) 8.076 7.898 ( -2.301 -0.941 0.765) 2.601 7.999 ( 0.824 0.656 -1.986) 2.248 8.075 ( -1.543 -2.432 -0.832) 2.998 8.138 ( 1.230 -1.226 -1.318) 2.180 8.277 ( -0.393 -0.431 -0.445) 0.734 8.411 ( -4.926 1.086 -0.697) 5.092 8.486 ( -1.690 -2.925 5.002) 6.036 8.570 ( -2.055 2.610 -4.267) 5.408 8.775 ( 3.325 2.085 -2.971) 4.923 8.918 ( 3.117 4.949 3.535) 6.834 9.113 ( -5.207 -3.291 0.476) 6.179 9.200 ( 8.197 7.297 -1.479) 11.074 9.326 ( -1.428 0.538 -5.263) 5.479 9.549 ( 3.106 14.774 5.241) 15.981 9.660 ( -0.708 15.381 1.143) 15.440 9.797 ( -2.143 9.709 0.262) 9.946 9.806 ( -0.167 10.610 -3.418) 11.148 9.941 ( 6.402 12.237 -2.334) 14.007 10.049 ( 3.444 -3.467 -0.451) 4.907 10.172 ( -1.769 6.494 4.493) 8.093 10.191 ( -5.321 5.798 -2.550) 8.273 10.467 ( 0.815 -4.562 0.126) 4.636 10.473 ( -4.945 -3.478 3.203) 6.842 10.585 ( -4.942 3.034 1.354) 5.954 10.747 ( -0.048 2.291 -2.779) 3.602 10.761 ( 0.693 -1.183 -4.986) 5.171 10.850 ( 3.600 6.052 2.864) 7.602 10.934 ( 0.623 -2.619 -0.794) 2.806 11.043 ( 4.785 -2.507 2.021) 5.767 11.078 ( -0.891 -3.175 0.432) 3.326 11.332 ( 7.392 -5.705 -5.537) 10.856 11.459 ( 3.139 -2.250 3.829) 5.438 11.560 ( -2.765 -7.045 1.522) 7.720 11.618 ( 2.277 -10.489 1.171) 10.797 11.773 ( -4.261 -7.199 -1.321) 8.469 11.822 ( 0.166 -9.839 0.280) 9.845 11.984 ( -2.923 -7.627 0.935) 8.221 12.707 ( 0.622 7.106 -2.233) 7.475 12.764 ( 0.422 0.317 -2.682) 2.733 12.797 ( -3.759 3.525 1.364) 5.331 12.922 ( -3.621 4.697 3.489) 6.881 12.950 ( 0.003 0.123 -3.336) 3.339 13.072 ( 0.205 2.314 0.543) 2.385 13.096 ( -1.415 -0.013 1.887) 2.359 13.143 ( -2.078 0.512 -0.960) 2.345 13.345 ( 3.091 6.856 0.713) 7.554 13.356 ( 1.171 7.318 1.291) 7.523 13.393 ( 1.554 6.547 1.256) 6.846 13.461 ( 1.670 5.130 0.207) 5.399 14.324 ( 0.487 -1.517 -0.413) 1.646 14.368 ( 0.480 -2.389 0.175) 2.443 14.394 ( -0.677 -3.728 0.611) 3.837 14.446 ( 1.618 -6.578 -0.919) 6.836 14.832 ( 1.993 0.593 -0.983) 2.300 14.912 ( 0.357 0.709 0.418) 0.897 14.965 ( -0.633 -3.649 -0.148) 3.706 15.020 ( -0.556 -2.293 -0.406) 2.394 15.252 ( 2.256 1.462 1.296) 2.985 15.387 ( 8.191 -0.897 -1.766) 8.427 15.466 ( -7.411 -9.399 6.554) 13.646 15.745 ( -6.075 -12.681 -4.805) 14.859 18.138 ( -1.729 4.529 0.855) 4.922 18.227 ( -2.215 -0.260 0.781) 2.363 18.323 ( -3.937 0.466 0.222) 3.971 18.366 ( -0.174 4.085 -6.127) 7.366 18.481 ( -1.358 2.656 0.691) 3.062 18.520 ( 0.031 -1.046 1.465) 1.800 18.603 ( -1.910 2.032 2.753) 3.919 18.737 ( 3.735 1.234 -1.975) 4.402 18.759 ( 2.547 1.957 -0.065) 3.213 18.841 ( 1.177 -0.804 0.252) 1.447 18.999 ( -0.157 -0.959 0.534) 1.109 19.078 ( 0.042 -1.319 0.601) 1.450 21.003 ( -1.169 -0.597 -0.643) 1.462 21.103 ( 1.228 0.134 -4.020) 4.205 21.401 ( -1.333 4.899 0.991) 5.173 21.477 ( 0.011 0.853 3.756) 3.851 23.009 ( -3.839 -0.275 1.486) 4.125 23.144 ( -1.751 -3.294 -3.242) 4.942 23.199 ( -1.648 -2.534 0.541) 3.071 23.295 ( -2.397 -1.518 0.059) 2.838 23.503 ( 5.703 1.273 1.482) 6.028 23.519 ( 6.148 -1.504 -1.456) 6.495 23.561 ( -1.885 -4.826 1.575) 5.415 23.676 ( 1.095 -3.010 -1.340) 3.472 ======================= Grid point 91 (42/50) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( -1.005 -4.458 -1.276) 4.745 1.530 ( 2.593 -6.308 -2.748) 7.353 1.770 ( 4.442 -0.667 3.368) 5.615 1.800 ( -3.029 3.484 0.161) 4.619 1.852 ( 3.158 11.919 -0.680) 12.350 1.892 ( -4.060 5.618 -1.943) 7.199 1.932 ( -6.061 5.950 5.282) 10.002 2.063 ( 4.381 -1.033 -3.113) 5.473 2.094 ( -1.880 -2.008 -0.125) 2.754 2.129 ( 2.911 0.530 -2.355) 3.782 2.185 ( -3.834 4.707 0.404) 6.085 2.241 ( 3.968 -2.791 -2.033) 5.260 2.310 ( -1.870 0.165 3.775) 4.216 2.399 ( 3.723 1.551 -3.498) 5.339 2.453 ( -1.790 -4.386 4.969) 6.865 2.482 ( -2.436 4.862 3.334) 6.379 2.555 ( -1.953 -3.069 2.961) 4.690 2.595 ( 1.460 2.343 -0.796) 2.873 2.662 ( -1.878 -2.701 -0.339) 3.307 2.733 ( 2.453 -4.167 -1.570) 5.084 2.766 ( 1.838 -3.034 0.226) 3.554 2.843 ( 5.206 -1.598 1.417) 5.627 2.855 ( 1.570 -4.329 -3.378) 5.711 2.880 ( -3.121 -1.325 -1.255) 3.615 2.921 ( -3.557 -4.433 1.770) 5.952 2.998 ( -0.902 -3.838 -1.610) 4.259 3.089 ( 0.764 -6.281 3.734) 7.347 3.119 ( -0.664 0.179 0.909) 1.139 3.128 ( -0.549 -5.673 -0.313) 5.709 3.226 ( -0.813 -6.825 2.050) 7.172 3.241 ( 7.308 -12.060 -0.706) 14.119 3.287 ( -3.033 -6.722 -1.510) 7.527 3.318 ( -0.671 -2.515 0.151) 2.608 3.348 ( -1.512 -4.556 0.872) 4.879 3.405 ( 3.235 -8.683 -0.100) 9.267 3.468 ( -0.559 -4.983 -1.081) 5.129 3.474 ( -1.565 -1.937 -1.477) 2.896 3.540 ( 1.543 -1.564 -1.759) 2.815 3.611 ( 2.173 0.513 1.678) 2.793 3.724 ( -6.292 -3.715 -4.662) 8.667 3.844 ( -3.547 3.866 -1.392) 5.428 3.867 ( -2.638 5.249 -1.586) 6.084 3.939 ( -2.085 3.493 5.047) 6.482 3.971 ( 4.232 2.639 4.334) 6.607 4.061 ( 1.755 12.179 -4.733) 13.184 4.087 ( 5.388 7.209 -1.935) 9.205 4.163 ( 3.613 -1.841 4.939) 6.390 4.343 ( -5.140 1.506 -0.561) 5.385 4.375 ( -2.519 0.181 -3.323) 4.174 4.440 ( 5.885 3.778 -4.622) 8.383 4.513 ( 0.271 3.919 2.264) 4.534 4.548 ( -1.041 1.160 1.206) 1.971 4.614 ( -4.721 -4.702 1.954) 6.943 4.678 ( -2.107 1.670 4.468) 5.214 4.743 ( -4.917 -2.533 -3.233) 6.406 4.769 ( 1.680 -3.282 -1.851) 4.125 4.852 ( 4.481 1.825 1.666) 5.117 4.871 ( -2.929 1.216 6.502) 7.234 4.888 ( -2.089 -0.294 1.091) 2.375 4.917 ( 3.590 -1.518 0.928) 4.007 5.001 ( 1.021 0.520 1.959) 2.270 5.067 ( -3.449 4.598 -5.754) 8.133 5.145 ( 1.590 2.809 -2.455) 4.055 5.206 ( 2.216 3.648 -4.759) 6.393 5.275 ( -0.935 -1.611 5.000) 5.336 5.328 ( 3.933 1.151 0.117) 4.099 5.426 ( -5.159 -0.581 2.750) 5.875 5.451 ( 6.641 -0.383 8.938) 11.141 5.478 ( -2.133 -2.978 -4.449) 5.763 5.498 ( 4.014 -3.837 -5.710) 7.964 5.595 ( -1.363 -0.528 -6.831) 6.985 5.668 ( -2.829 -3.298 -8.192) 9.274 5.771 ( 3.815 -2.280 4.882) 6.602 5.920 ( -4.128 -3.048 0.634) 5.171 5.978 ( -3.114 4.283 -0.809) 5.356 6.034 ( 2.577 3.283 -0.624) 4.220 6.166 ( -0.185 -2.272 4.658) 5.186 6.216 ( 4.526 -7.575 3.877) 9.638 6.229 ( 1.607 -0.297 -1.166) 2.007 6.376 ( -4.447 -9.043 -6.439) 11.959 6.418 ( -1.670 0.944 1.152) 2.238 6.465 ( 1.537 1.622 -1.416) 2.645 6.652 ( -2.827 1.418 3.792) 4.938 6.713 ( 2.783 1.011 -0.340) 2.981 6.852 ( 0.677 -2.728 1.000) 2.983 6.942 ( 2.077 -3.761 -4.176) 5.992 7.037 ( -2.740 1.962 2.116) 3.979 7.065 ( 0.248 2.233 0.416) 2.284 7.476 ( 3.920 6.356 0.856) 7.516 7.480 ( -1.250 5.625 0.188) 5.765 7.581 ( -1.538 -3.499 3.089) 4.915 7.625 ( -1.437 -1.461 -0.165) 2.056 7.648 ( -2.532 -2.969 0.852) 3.994 7.691 ( 3.005 -2.515 -0.378) 3.937 7.835 ( -2.584 0.152 5.970) 6.507 7.885 ( 0.536 -4.035 2.215) 4.634 7.975 ( 1.800 -1.416 -3.369) 4.074 8.017 ( -0.599 -5.213 -4.640) 7.004 8.216 ( 1.733 0.454 3.406) 3.848 8.262 ( 1.106 -0.496 0.676) 1.388 8.310 ( -3.580 3.336 -0.561) 4.925 8.458 ( -2.451 2.517 -7.290) 8.092 8.572 ( 3.066 -3.427 5.984) 7.547 8.741 ( -0.438 -1.916 -7.630) 7.879 9.027 ( -1.184 3.822 8.335) 9.245 9.080 ( 0.291 1.335 4.179) 4.397 9.229 ( -1.673 3.004 -5.142) 6.186 9.255 ( 3.780 4.146 -7.604) 9.450 9.616 ( -1.851 19.869 5.886) 20.805 9.705 ( 0.513 9.993 3.231) 10.515 9.735 ( -1.469 15.309 -4.126) 15.924 9.774 ( 1.014 12.993 -2.361) 13.245 10.044 ( -0.795 5.084 1.060) 5.253 10.074 ( -0.484 10.328 -0.922) 10.380 10.126 ( 6.087 -2.479 -1.379) 6.716 10.168 ( 1.118 6.599 -3.129) 7.388 10.392 ( -11.186 -2.367 7.602) 13.731 10.514 ( 1.194 1.765 5.103) 5.530 10.536 ( 2.519 3.303 -3.055) 5.156 10.698 ( 1.620 -2.014 -6.853) 7.325 10.774 ( 1.926 2.597 1.984) 3.794 10.863 ( -1.101 1.622 -4.332) 4.755 10.990 ( 2.571 -1.687 4.053) 5.087 11.050 ( -2.244 -3.950 -1.220) 4.704 11.166 ( 1.960 -2.173 6.146) 6.807 11.314 ( -1.523 -5.763 -6.327) 8.693 11.530 ( -0.097 -7.453 2.418) 7.836 11.564 ( 1.558 -6.110 2.629) 6.831 11.628 ( -2.506 -11.383 -1.569) 11.761 11.670 ( 0.090 -7.588 -2.507) 7.992 11.892 ( 0.878 -6.949 3.436) 7.802 11.942 ( 0.010 -6.534 -0.934) 6.600 12.692 ( -2.006 4.252 -0.647) 4.746 12.723 ( 1.314 2.031 -3.302) 4.094 12.793 ( -0.718 2.826 3.242) 4.361 12.890 ( 0.765 3.294 -4.107) 5.320 12.954 ( 0.898 2.344 3.402) 4.228 13.041 ( -1.264 3.093 -3.292) 4.690 13.108 ( -0.465 -0.654 2.456) 2.584 13.132 ( 0.872 0.059 0.073) 0.877 13.381 ( -0.130 7.162 1.336) 7.286 13.394 ( 1.450 6.783 0.382) 6.947 13.426 ( -0.291 6.497 2.600) 7.003 13.467 ( -0.582 5.421 -0.703) 5.497 14.340 ( 0.969 -2.051 0.549) 2.334 14.356 ( -1.076 -2.925 -0.803) 3.219 14.405 ( 0.223 -4.787 1.564) 5.041 14.447 ( 0.411 -7.586 -1.703) 7.786 14.865 ( 1.173 -0.694 0.834) 1.598 14.898 ( -0.833 -1.077 -1.739) 2.209 14.982 ( 1.274 -3.162 1.728) 3.822 15.011 ( 0.210 -4.827 -0.405) 4.849 15.316 ( 0.089 1.499 4.672) 4.908 15.390 ( -3.828 -1.210 1.179) 4.184 15.510 ( 0.840 -5.275 -1.882) 5.663 15.570 ( -0.395 -5.818 -4.880) 7.604 18.145 ( 0.350 3.553 1.989) 4.087 18.211 ( 1.104 0.236 -3.145) 3.341 18.264 ( -3.133 0.689 1.867) 3.712 18.323 ( 1.856 3.777 -3.597) 5.536 18.479 ( -0.303 -0.429 1.326) 1.426 18.527 ( 1.450 -1.820 -2.182) 3.190 18.629 ( -1.098 3.815 5.697) 6.944 18.734 ( 0.438 2.223 -3.256) 3.966 18.801 ( 0.448 0.969 1.270) 1.659 18.839 ( -0.272 1.237 -1.352) 1.853 19.019 ( 0.496 -1.262 2.199) 2.583 19.063 ( -1.258 -0.974 -1.177) 1.979 20.982 ( -1.273 -0.565 1.219) 1.851 21.075 ( 1.615 -2.037 -5.662) 6.230 21.424 ( -0.412 4.285 5.045) 6.632 21.501 ( 0.547 1.224 -0.165) 1.351 23.003 ( -0.051 -1.779 3.064) 3.543 23.095 ( 1.151 -3.940 -4.524) 6.109 23.206 ( 0.927 -1.973 1.663) 2.742 23.248 ( -2.068 -0.115 -1.064) 2.328 23.526 ( -3.654 -4.149 1.488) 5.725 23.579 ( 3.621 -3.043 -2.369) 5.290 23.600 ( 1.978 0.920 2.770) 3.526 23.652 ( -1.850 -1.406 -1.683) 2.869 ======================= Grid point 93 (43/50) ======================= q-point: (-0.33 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.529 ( 4.536 -4.704 -0.785) 6.582 1.580 ( 4.951 -1.008 -0.041) 5.053 1.742 ( -4.893 13.444 -1.195) 14.356 1.783 ( 0.741 1.955 -4.576) 5.031 1.854 ( -5.448 10.571 4.530) 12.726 1.876 ( 1.777 -2.815 1.456) 3.633 1.994 ( 2.797 4.487 0.881) 5.361 2.058 ( 0.392 -3.827 1.762) 4.232 2.102 ( -1.763 2.367 -0.176) 2.957 2.107 ( -2.668 -2.352 2.486) 4.340 2.161 ( 8.136 3.916 -5.182) 10.411 2.278 ( -5.834 -2.995 4.967) 8.227 2.319 ( 6.074 0.136 -2.722) 6.658 2.412 ( 0.073 0.957 -3.554) 3.681 2.446 ( -2.403 6.323 -1.342) 6.896 2.468 ( -0.811 -4.537 4.626) 6.531 2.586 ( 3.454 -2.724 0.931) 4.496 2.644 ( 1.721 -1.211 -1.900) 2.835 2.664 ( 2.178 -4.748 2.741) 5.899 2.729 ( -3.851 -3.595 0.006) 5.268 2.743 ( -4.015 -2.220 -2.311) 5.137 2.800 ( 3.740 -0.692 -4.230) 5.689 2.822 ( 0.084 -2.634 -2.329) 3.517 2.880 ( -3.148 -0.586 0.216) 3.209 2.898 ( -1.357 -2.810 3.498) 4.687 3.018 ( -6.885 -6.933 -0.196) 9.773 3.069 ( 3.027 -6.987 -0.610) 7.639 3.109 ( -1.550 -1.501 2.742) 3.489 3.150 ( 1.606 -3.071 1.214) 3.672 3.209 ( 0.928 -6.527 -0.324) 6.600 3.245 ( -5.803 -3.558 -1.875) 7.061 3.249 ( 1.123 -8.004 0.177) 8.084 3.324 ( 1.392 -2.494 -1.612) 3.280 3.381 ( 3.849 -3.865 -1.482) 5.653 3.431 ( 2.601 -7.320 -0.684) 7.799 3.445 ( 1.552 -6.101 -2.767) 6.877 3.482 ( -3.690 -1.792 1.533) 4.379 3.583 ( -1.681 5.842 5.308) 8.070 3.601 ( -0.456 -4.805 -6.434) 8.043 3.708 ( 1.910 7.070 -0.660) 7.353 3.720 ( 2.699 -9.593 10.089) 14.181 3.797 ( -6.332 3.898 0.824) 7.481 3.954 ( -8.108 1.860 -0.898) 8.367 4.010 ( 0.547 3.715 -1.548) 4.061 4.114 ( 1.840 6.794 -4.901) 8.577 4.139 ( 1.909 -5.994 3.574) 7.235 4.242 ( -1.046 4.678 -2.464) 5.390 4.288 ( 4.563 3.081 -4.563) 7.151 4.343 ( 3.922 4.172 3.152) 6.536 4.457 ( -2.686 1.073 2.972) 4.147 4.471 ( 0.899 1.140 0.564) 1.558 4.542 ( -3.364 -0.827 -3.699) 5.068 4.624 ( -5.931 -2.210 4.612) 7.832 4.666 ( 2.524 2.487 -0.004) 3.544 4.699 ( 0.762 -6.243 7.439) 9.741 4.802 ( 2.997 3.032 -0.956) 4.369 4.844 ( -3.136 2.742 3.324) 5.330 4.868 ( 1.792 1.093 -5.027) 5.447 4.932 ( 2.342 -3.770 -1.021) 4.554 5.013 ( 0.708 -0.188 1.502) 1.671 5.029 ( 5.168 1.887 1.626) 5.737 5.088 ( 5.642 3.715 0.025) 6.755 5.147 ( -1.543 1.057 0.571) 1.955 5.172 ( -1.006 1.775 -2.065) 2.903 5.188 ( -1.382 3.273 -2.930) 4.606 5.351 ( -3.476 0.394 -1.989) 4.024 5.413 ( -1.655 -1.272 -0.216) 2.098 5.444 ( -1.168 0.154 3.414) 3.612 5.508 ( 2.299 -4.918 -7.735) 9.450 5.539 ( 3.129 -3.846 -2.566) 5.583 5.606 ( 5.652 -1.370 1.948) 6.133 5.635 ( 4.015 -0.519 3.205) 5.164 5.800 ( -1.852 -0.984 -5.542) 5.926 5.897 ( -1.007 -1.584 4.904) 5.251 6.011 ( 4.992 0.934 4.552) 6.820 6.056 ( 0.244 1.600 -1.849) 2.458 6.073 ( -9.530 -2.669 -0.304) 9.901 6.205 ( -4.020 -6.305 -2.721) 7.958 6.230 ( 0.078 1.104 -2.707) 2.924 6.363 ( 0.483 -5.728 2.803) 6.396 6.409 ( -1.893 2.415 1.379) 3.364 6.502 ( 4.890 -0.778 -0.240) 4.957 6.632 ( -2.965 0.773 2.854) 4.187 6.711 ( -1.229 -0.290 -2.477) 2.780 6.843 ( -3.189 -3.345 -1.294) 4.799 6.873 ( -2.914 -2.181 -1.332) 3.876 7.012 ( -1.515 3.979 0.669) 4.310 7.115 ( 2.466 -0.452 1.495) 2.919 7.366 ( -6.876 4.233 -1.031) 8.140 7.445 ( -4.664 5.969 -1.083) 7.652 7.566 ( -6.152 -0.969 2.052) 6.557 7.641 ( 1.785 -0.467 1.205) 2.204 7.674 ( 2.538 -3.697 0.441) 4.506 7.742 ( 4.850 -1.198 -1.122) 5.120 7.871 ( -1.220 4.316 4.688) 6.488 7.935 ( 2.637 -4.512 -1.069) 5.334 7.987 ( 3.317 0.718 -3.851) 5.133 8.030 ( 5.014 -5.562 -0.272) 7.493 8.187 ( -5.036 0.345 -1.206) 5.190 8.254 ( 0.907 -0.309 0.781) 1.236 8.378 ( 0.899 3.181 5.381) 6.315 8.419 ( 6.292 2.492 -1.620) 6.959 8.623 ( -2.258 -2.151 -2.348) 3.904 8.697 ( 3.533 -1.798 1.492) 4.236 8.989 ( -7.093 6.040 -0.248) 9.319 9.155 ( -3.624 5.833 -0.026) 6.867 9.198 ( 4.434 0.069 4.247) 6.140 9.217 ( 1.834 -0.559 -6.236) 6.524 9.614 ( -5.675 15.288 3.878) 16.762 9.695 ( 0.813 17.456 -2.704) 17.683 9.704 ( -2.153 9.539 1.628) 9.914 9.794 ( 3.888 9.704 -0.478) 10.465 9.937 ( -5.033 8.249 -1.468) 9.774 10.063 ( -1.201 4.210 -1.217) 4.545 10.197 ( 5.524 5.101 -2.941) 8.074 10.257 ( 6.228 7.351 -1.313) 9.724 10.310 ( -6.218 -4.219 6.544) 9.964 10.536 ( -2.233 -0.156 4.369) 4.909 10.653 ( 5.396 6.015 2.664) 8.508 10.694 ( 8.132 -5.841 -6.476) 11.924 10.749 ( -4.806 -1.332 -3.760) 6.246 10.836 ( 0.900 2.642 2.234) 3.575 10.971 ( -4.420 -6.219 -2.111) 7.916 11.053 ( 0.458 -0.671 2.393) 2.527 11.132 ( -5.862 -5.068 -2.505) 8.144 11.226 ( -5.925 -0.048 0.536) 5.949 11.523 ( -3.360 -6.156 -0.465) 7.029 11.592 ( -0.409 -5.574 2.997) 6.342 11.596 ( 1.975 -7.798 -0.378) 8.053 11.737 ( 5.739 -9.581 -0.311) 11.173 11.849 ( -3.016 -8.126 -0.609) 8.689 12.007 ( 4.476 -8.575 -0.432) 9.682 12.638 ( -4.215 3.361 1.674) 5.645 12.733 ( 2.289 2.731 -0.791) 3.650 12.832 ( 1.177 2.041 2.108) 3.162 12.885 ( 3.393 2.557 -2.324) 4.843 13.003 ( 1.785 5.203 -1.425) 5.682 13.036 ( 2.655 2.335 2.081) 4.103 13.123 ( 0.750 0.961 0.037) 1.219 13.147 ( 1.256 -0.795 -0.544) 1.582 13.370 ( -2.006 6.539 -0.525) 6.860 13.391 ( -1.386 6.958 -0.609) 7.120 13.427 ( -2.149 5.724 -1.180) 6.227 13.441 ( -1.692 5.682 1.830) 6.205 14.325 ( -1.013 -2.647 -0.440) 2.868 14.364 ( 0.388 -1.483 0.338) 1.570 14.417 ( -0.891 -4.862 0.931) 5.030 14.429 ( 0.223 -6.591 -1.610) 6.789 14.835 ( -2.875 0.647 -1.154) 3.164 14.905 ( 1.002 -0.848 0.671) 1.474 14.995 ( 0.445 -3.177 -2.003) 3.782 15.015 ( 0.028 -2.636 -0.121) 2.638 15.287 ( -2.943 -0.189 0.409) 2.978 15.350 ( -7.085 0.349 -0.544) 7.114 15.494 ( 3.354 -3.287 8.538) 9.744 15.663 ( 8.673 -14.844 -3.699) 17.586 18.174 ( 1.790 2.265 -1.267) 3.153 18.217 ( 2.420 5.311 2.381) 6.304 18.269 ( 1.760 -0.696 -0.185) 1.901 18.343 ( 2.799 2.467 -1.089) 3.887 18.501 ( 1.425 -0.504 0.774) 1.698 18.526 ( 1.849 -0.369 -2.406) 3.057 18.663 ( -2.182 3.343 3.476) 5.293 18.697 ( -0.751 1.466 -2.566) 3.049 18.773 ( -2.914 1.388 -0.755) 3.315 18.833 ( -0.570 0.568 0.530) 0.964 19.017 ( -1.766 -0.237 -0.836) 1.968 19.061 ( 0.698 -1.338 1.894) 2.421 20.990 ( -1.253 1.109 3.642) 4.008 21.034 ( 0.493 -2.846 -4.117) 5.029 21.463 ( -0.092 3.159 0.785) 3.257 21.512 ( 2.406 1.968 -1.013) 3.269 23.059 ( 2.689 -2.534 1.400) 3.951 23.090 ( 4.273 -1.877 -3.000) 5.548 23.221 ( 0.679 -0.938 -0.924) 1.481 23.256 ( 1.793 -1.469 2.391) 3.330 23.468 ( -5.513 -2.930 1.643) 6.456 23.543 ( -5.881 1.423 -1.036) 6.139 23.622 ( 0.948 -4.554 -1.287) 4.826 23.630 ( -0.799 -2.366 0.715) 2.598 ======================= Grid point 94 (44/50) ======================= q-point: (-0.17 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.565 ( -6.402 17.059 1.092) 18.254 1.618 ( 4.780 0.569 -1.360) 5.002 1.715 ( 4.416 6.836 -1.775) 8.330 1.776 ( 0.463 5.782 0.123) 5.802 1.803 ( -2.532 7.348 1.639) 7.943 1.928 ( 2.799 -4.592 1.837) 5.683 1.989 ( 0.329 3.145 -1.911) 3.695 2.038 ( -8.862 -0.618 2.730) 9.293 2.102 ( 1.387 -0.852 1.107) 1.968 2.141 ( 2.428 1.059 1.716) 3.156 2.221 ( -1.105 0.823 1.178) 1.813 2.266 ( -2.323 -2.139 -1.319) 3.422 2.311 ( 10.562 -4.064 -4.485) 12.174 2.407 ( -1.044 0.277 -0.355) 1.137 2.480 ( 1.068 -1.676 3.550) 4.068 2.539 ( 1.635 -0.043 1.314) 2.098 2.568 ( -4.156 -3.798 -2.025) 5.983 2.621 ( -2.226 -2.790 -0.336) 3.585 2.643 ( -0.706 -3.198 -1.683) 3.682 2.695 ( 6.348 -4.708 -1.782) 8.102 2.781 ( 0.958 -1.404 -0.262) 1.720 2.808 ( 1.692 -3.643 1.341) 4.234 2.816 ( -2.685 -4.604 -0.093) 5.331 2.866 ( 5.249 -4.118 -0.930) 6.736 2.895 ( 0.179 1.804 0.550) 1.895 2.992 ( -0.782 -7.422 3.854) 8.400 3.056 ( -3.979 4.239 1.592) 6.028 3.088 ( -2.570 -1.794 -1.978) 3.706 3.140 ( -0.931 -3.001 3.512) 4.712 3.196 ( 1.918 -10.381 -1.481) 10.660 3.258 ( 3.249 -3.030 0.229) 4.448 3.288 ( -0.506 -2.650 -0.474) 2.740 3.339 ( 1.801 -4.581 -1.527) 5.153 3.380 ( 1.587 2.979 -0.068) 3.376 3.401 ( 0.642 -4.745 -4.245) 6.399 3.473 ( 0.726 -8.242 0.729) 8.306 3.488 ( 1.373 -0.864 1.251) 2.049 3.543 ( 0.319 -1.252 -1.336) 1.859 3.593 ( -1.125 3.466 3.703) 5.195 3.671 ( -2.226 0.908 -0.781) 2.527 3.759 ( -6.854 0.564 -2.841) 7.440 3.767 ( -2.497 5.879 0.813) 6.439 3.906 ( -2.051 -8.766 7.300) 11.590 4.012 ( 0.724 5.533 -2.879) 6.279 4.075 ( -5.616 -3.557 -5.975) 8.938 4.100 ( -2.271 -2.797 -1.744) 4.003 4.168 ( 0.429 0.638 -3.470) 3.554 4.265 ( 1.771 -5.094 -1.398) 5.571 4.329 ( -9.530 -3.615 -1.687) 10.331 4.486 ( 0.349 1.316 5.571) 5.735 4.499 ( 2.079 4.820 3.760) 6.457 4.572 ( 5.672 -0.525 -1.213) 5.824 4.608 ( -1.731 -0.746 1.659) 2.511 4.681 ( -0.729 1.951 -0.554) 2.156 4.745 ( -4.524 4.985 -0.671) 6.765 4.802 ( 1.949 -3.210 5.744) 6.862 4.892 ( 6.751 3.227 -5.147) 9.081 4.903 ( -2.023 1.563 1.091) 2.780 4.928 ( 1.985 -4.319 -1.915) 5.124 5.053 ( 2.601 -4.334 -0.264) 5.062 5.087 ( 1.102 -2.209 -0.914) 2.632 5.126 ( 4.383 -1.163 3.227) 5.566 5.137 ( 0.358 2.928 -0.089) 2.951 5.179 ( 2.397 2.885 -3.428) 5.081 5.239 ( 3.054 1.575 0.626) 3.493 5.245 ( -1.467 2.155 -1.069) 2.817 5.359 ( -3.438 -4.263 -4.816) 7.293 5.407 ( -0.315 -1.084 -2.882) 3.095 5.575 ( 3.776 -1.236 2.766) 4.842 5.594 ( 3.813 -4.285 7.678) 9.584 5.686 ( 1.253 -0.552 5.178) 5.356 5.716 ( -1.071 6.347 -1.259) 6.559 5.773 ( 5.843 -1.697 -1.085) 6.180 5.872 ( -9.542 1.927 0.614) 9.754 5.925 ( -0.824 1.828 2.338) 3.081 6.024 ( -1.941 -1.168 -3.380) 4.069 6.092 ( -1.334 -2.970 -0.491) 3.292 6.187 ( 1.576 6.027 1.451) 6.397 6.240 ( 2.643 -2.033 0.934) 3.463 6.328 ( -5.279 -6.513 -2.401) 8.721 6.378 ( -1.005 4.213 2.804) 5.160 6.558 ( -4.294 0.395 -1.132) 4.458 6.607 ( 2.467 -1.056 -1.950) 3.317 6.640 ( -1.668 -2.719 -2.685) 4.170 6.784 ( 0.299 -4.059 -1.585) 4.367 6.848 ( -3.319 -0.989 3.621) 5.011 6.990 ( -0.667 3.631 -0.235) 3.700 7.169 ( 2.807 -1.076 0.447) 3.039 7.276 ( -3.266 3.671 -0.386) 4.929 7.374 ( -1.257 6.440 -0.832) 6.614 7.502 ( -5.356 1.284 3.178) 6.359 7.661 ( 1.288 -1.028 -5.667) 5.902 7.700 ( 1.461 -0.142 2.903) 3.253 7.804 ( -0.280 2.651 0.024) 2.666 7.868 ( -0.741 5.516 0.242) 5.571 7.965 ( 3.195 -3.231 -0.237) 4.550 7.993 ( 1.031 1.599 -3.730) 4.187 8.081 ( 1.146 -0.769 1.321) 1.911 8.125 ( 0.592 -0.921 -0.545) 1.223 8.276 ( 0.464 -1.184 -1.104) 1.684 8.451 ( 0.436 0.174 5.229) 5.250 8.518 ( 3.611 -1.758 -0.979) 4.134 8.610 ( 1.733 4.841 3.393) 6.161 8.751 ( 2.039 3.113 -2.955) 4.752 8.863 ( -5.120 5.879 -1.336) 7.910 9.054 ( -6.723 9.384 -0.920) 11.580 9.191 ( 1.150 -1.465 -1.016) 2.122 9.308 ( 2.293 -2.273 3.018) 4.420 9.542 ( -2.047 10.755 -2.312) 11.189 9.652 ( -4.703 9.741 0.275) 10.821 9.731 ( 0.305 1.652 4.706) 4.997 9.866 ( 0.406 12.879 -3.286) 13.298 9.894 ( 5.786 12.449 1.505) 13.811 10.052 ( 2.412 3.229 -2.507) 4.747 10.237 ( 0.458 7.284 1.733) 7.501 10.288 ( -3.466 -7.964 3.367) 9.316 10.324 ( 5.446 3.754 -3.931) 7.694 10.515 ( -5.544 -4.210 2.844) 7.520 10.602 ( -7.482 3.502 1.110) 8.335 10.749 ( 4.438 -1.767 -3.718) 6.053 10.798 ( 5.057 -1.529 2.067) 5.673 10.877 ( 3.327 0.310 -0.802) 3.436 10.891 ( -2.788 -6.236 0.213) 6.834 11.027 ( -0.070 0.420 -3.558) 3.583 11.090 ( 0.555 -3.363 0.422) 3.435 11.141 ( -6.382 -0.735 4.397) 7.784 11.451 ( -2.803 -0.208 -2.735) 3.921 11.506 ( -6.839 -1.354 -1.453) 7.121 11.687 ( 4.700 -11.312 -0.021) 12.249 11.790 ( -0.635 -5.806 0.600) 5.872 11.848 ( 3.391 -12.722 0.779) 13.189 12.048 ( 2.133 -10.854 -2.526) 11.346 12.609 ( -3.587 3.978 5.433) 7.630 12.781 ( 3.138 3.682 1.148) 4.972 12.865 ( 1.825 0.762 -0.834) 2.146 12.934 ( 2.172 2.436 1.303) 3.514 13.033 ( 2.284 5.207 -1.114) 5.794 13.065 ( 1.046 3.405 -2.359) 4.273 13.142 ( 2.420 2.049 -1.529) 3.521 13.176 ( 2.264 -0.806 0.579) 2.472 13.308 ( -3.768 6.087 -1.210) 7.260 13.351 ( -1.473 6.871 -1.770) 7.247 13.372 ( -2.605 5.637 -0.636) 6.242 13.421 ( -2.044 5.038 0.113) 5.438 14.320 ( 0.643 -1.477 0.310) 1.641 14.363 ( -0.434 -1.995 0.177) 2.050 14.401 ( -1.225 -3.760 -0.048) 3.954 14.419 ( -0.235 -2.977 -0.971) 3.140 14.789 ( -1.641 2.646 0.840) 3.225 14.926 ( 1.330 3.133 -0.491) 3.439 14.972 ( -0.652 -3.129 -1.117) 3.386 15.007 ( -1.321 -0.482 0.321) 1.443 15.232 ( -1.934 0.735 -1.321) 2.454 15.296 ( -0.418 -0.894 0.524) 1.117 15.626 ( -0.197 -13.517 7.364) 15.394 15.735 ( 4.883 -21.661 -3.857) 22.537 18.213 ( 4.359 3.369 -0.786) 5.565 18.298 ( 0.054 1.634 2.625) 3.092 18.313 ( 5.252 2.648 0.356) 5.893 18.372 ( 2.346 2.028 -0.721) 3.184 18.529 ( 2.652 3.312 -1.272) 4.429 18.549 ( 2.072 0.536 -0.440) 2.185 18.623 ( -5.695 3.381 0.759) 6.666 18.638 ( -2.546 1.032 -1.056) 2.943 18.740 ( 0.044 0.092 -0.756) 0.763 18.812 ( -2.510 -1.605 0.267) 2.992 18.993 ( -0.624 0.388 0.522) 0.902 19.077 ( -0.438 -1.367 0.103) 1.440 21.013 ( -0.057 -1.623 0.358) 1.663 21.019 ( -1.039 2.574 4.660) 5.424 21.451 ( 1.116 4.060 -3.455) 5.446 21.534 ( 1.717 1.355 -2.435) 3.273 23.114 ( 5.686 0.398 -2.057) 6.060 23.171 ( 4.883 -0.673 1.662) 5.202 23.258 ( 4.359 -2.884 -0.485) 5.249 23.295 ( -0.598 -1.757 1.289) 2.260 23.381 ( -6.107 -0.549 0.750) 6.177 23.421 ( -6.757 0.748 -0.386) 6.809 23.590 ( -5.562 -2.680 3.331) 7.015 23.633 ( 2.365 -7.797 -2.897) 8.647 ======================= Grid point 95 (45/50) ======================= q-point: ( 0.00 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 2.290 1.531 1.011) 2.935 1.749 ( -0.303 0.100 -2.025) 2.050 1.806 ( 1.805 3.960 1.683) 4.666 1.829 ( -3.928 1.297 0.872) 4.228 1.910 ( -0.933 -1.578 5.241) 5.553 1.970 ( 3.251 -2.111 -0.924) 3.985 2.007 ( -1.572 7.260 -0.899) 7.483 2.089 ( -0.287 -0.353 -5.248) 5.267 2.115 ( 2.767 10.225 1.919) 10.765 2.146 ( -3.559 7.384 -1.073) 8.267 2.241 ( -6.295 0.259 0.386) 6.312 2.265 ( 1.084 -1.397 -0.482) 1.832 2.328 ( -5.275 1.088 2.944) 6.139 2.368 ( 6.095 -5.004 1.528) 8.033 2.415 ( 4.672 -0.848 0.893) 4.832 2.457 ( -3.620 -4.912 -1.198) 6.219 2.524 ( -2.919 -3.538 2.049) 5.023 2.585 ( 0.926 -1.930 -2.552) 3.331 2.638 ( 3.329 1.205 -0.375) 3.560 2.667 ( 2.305 1.581 -2.429) 3.703 2.709 ( -1.288 -0.715 1.142) 1.864 2.775 ( 1.423 -4.966 -2.903) 5.926 2.778 ( 2.524 -5.358 2.672) 6.497 2.845 ( -3.279 -4.683 -1.212) 5.844 2.870 ( 6.519 -1.727 6.737) 9.532 2.944 ( 3.923 -5.318 5.044) 8.313 2.982 ( 0.725 1.681 1.247) 2.215 3.008 ( -2.854 -3.532 -1.676) 4.840 3.087 ( 1.101 1.289 1.060) 2.000 3.135 ( -0.416 -2.816 -1.107) 3.054 3.159 ( 0.732 0.781 -1.021) 1.479 3.242 ( -1.034 -2.994 -4.658) 5.633 3.259 ( 0.746 -4.756 -3.448) 5.922 3.288 ( -1.705 -5.084 1.101) 5.474 3.407 ( -0.207 0.421 0.308) 0.561 3.441 ( -1.831 -2.527 0.665) 3.191 3.446 ( -1.549 -2.742 1.346) 3.425 3.518 ( -5.286 -6.737 -4.575) 9.709 3.583 ( -0.751 1.541 1.485) 2.268 3.648 ( -4.959 -4.256 -3.956) 7.639 3.733 ( -1.126 3.416 0.264) 3.607 3.763 ( 3.275 -1.656 -1.991) 4.175 3.884 ( 6.464 7.322 2.392) 10.056 3.994 ( -5.146 8.658 -4.635) 11.087 4.058 ( -0.532 1.202 4.715) 4.895 4.141 ( 1.335 0.449 1.023) 1.741 4.204 ( 3.821 5.614 3.070) 7.453 4.282 ( 2.434 0.843 1.153) 2.822 4.321 ( 0.659 4.650 -0.556) 4.729 4.421 ( -3.660 0.151 -4.155) 5.540 4.509 ( -0.833 -1.081 0.473) 1.444 4.572 ( -3.662 3.472 -0.171) 5.049 4.626 ( -0.127 -1.249 -2.082) 2.431 4.672 ( 2.088 -2.988 -4.535) 5.818 4.697 ( 2.016 -3.305 -0.984) 3.994 4.713 ( 0.318 -1.891 -2.833) 3.421 4.892 ( 0.965 -0.099 -0.377) 1.040 4.906 ( -2.660 -3.044 -0.354) 4.058 4.995 ( -1.089 1.245 3.690) 4.044 4.996 ( -2.723 0.230 6.181) 6.759 5.099 ( 0.871 0.907 -1.299) 1.808 5.129 ( -2.563 -1.377 2.419) 3.784 5.161 ( 0.803 2.085 -3.183) 3.889 5.205 ( 1.749 -2.074 -3.021) 4.060 5.247 ( 2.718 2.398 -0.523) 3.662 5.279 ( 5.443 -0.570 -1.330) 5.632 5.384 ( 1.463 -0.184 5.170) 5.376 5.417 ( 2.972 -3.732 4.278) 6.408 5.575 ( -4.638 -0.430 3.303) 5.710 5.611 ( -3.696 -4.103 3.978) 6.806 5.731 ( -0.016 1.117 -2.304) 2.561 5.758 ( 3.976 -0.715 -3.107) 5.096 5.849 ( 0.518 1.018 1.973) 2.280 5.861 ( -0.614 -0.955 4.824) 4.956 5.949 ( -0.199 2.825 -5.016) 5.760 6.008 ( -0.691 -0.966 -3.111) 3.330 6.063 ( 2.347 2.486 0.245) 3.428 6.074 ( -3.253 0.050 -1.176) 3.460 6.263 ( 0.404 -0.180 0.658) 0.793 6.311 ( -1.424 -4.219 -2.199) 4.966 6.445 ( -0.374 4.037 1.672) 4.386 6.474 ( -0.510 2.317 0.384) 2.404 6.599 ( -2.711 2.126 1.241) 3.662 6.641 ( 3.590 -0.315 -1.453) 3.885 6.748 ( -0.366 -1.293 2.006) 2.415 6.780 ( 1.891 -3.080 -0.423) 3.639 7.044 ( -0.035 1.662 -0.034) 1.662 7.087 ( -2.041 -2.708 -2.865) 4.440 7.399 ( 3.677 1.935 6.355) 7.593 7.433 ( 0.962 -1.215 7.471) 7.630 7.561 ( -3.924 6.238 -5.725) 9.332 7.610 ( -1.311 1.525 -7.105) 7.384 7.734 ( -0.489 0.100 -1.090) 1.199 7.765 ( -0.236 3.981 -2.714) 4.824 7.891 ( 0.805 -5.280 1.509) 5.550 7.947 ( -0.122 -3.510 -2.794) 4.488 8.062 ( -1.605 2.558 1.869) 3.551 8.087 ( 2.810 3.213 0.201) 4.273 8.143 ( 0.830 -0.862 2.220) 2.521 8.197 ( -1.026 -4.384 -1.859) 4.872 8.509 ( 0.429 1.032 3.900) 4.057 8.526 ( 1.307 -0.793 3.251) 3.593 8.722 ( -4.825 3.290 -2.157) 6.226 8.753 ( -1.685 0.559 -5.058) 5.361 9.012 ( 7.165 8.122 3.755) 11.464 9.098 ( -2.548 5.392 -3.182) 6.760 9.183 ( 4.882 -5.794 2.890) 8.109 9.235 ( -4.968 -5.851 -1.392) 7.801 9.617 ( 3.287 3.727 3.473) 6.063 9.681 ( -2.023 3.858 -0.052) 4.357 9.755 ( -0.339 -0.710 5.509) 5.565 9.886 ( -2.947 -7.526 -3.026) 8.630 10.143 ( -1.305 3.580 -1.189) 3.991 10.163 ( 2.685 4.972 -3.892) 6.861 10.256 ( -2.785 -1.307 0.145) 3.080 10.277 ( 3.316 -2.850 -1.084) 4.505 10.381 ( -1.804 9.412 2.468) 9.896 10.470 ( 3.902 10.442 -5.831) 12.580 10.626 ( -3.722 -9.224 2.005) 10.147 10.674 ( 4.323 -6.316 -0.816) 7.697 10.819 ( -2.948 2.725 3.696) 5.457 10.843 ( 0.201 2.712 2.440) 3.654 10.990 ( 1.398 0.767 1.842) 2.436 11.029 ( -0.087 -1.340 -1.614) 2.100 11.153 ( -1.640 13.040 0.693) 13.161 11.207 ( 1.147 10.996 -3.164) 11.500 11.398 ( -1.047 -1.193 2.346) 2.833 11.465 ( -0.385 0.188 -3.093) 3.123 11.535 ( 2.942 -12.017 -0.255) 12.374 11.560 ( -1.752 -11.127 -1.898) 11.423 11.736 ( -0.287 -3.429 3.029) 4.584 11.803 ( 0.353 -8.737 -2.700) 9.151 12.743 ( -1.181 4.938 7.320) 8.908 12.829 ( -1.136 -3.634 4.444) 5.852 12.926 ( 2.823 3.570 -2.955) 5.427 12.974 ( 1.367 -1.193 -2.084) 2.763 13.071 ( -4.038 3.215 1.508) 5.378 13.120 ( -2.158 -1.324 0.248) 2.544 13.167 ( 2.721 0.756 -3.921) 4.832 13.178 ( 2.363 0.052 -3.326) 4.080 13.373 ( -0.800 3.902 1.489) 4.252 13.405 ( -0.779 0.770 1.146) 1.585 13.421 ( 0.330 3.525 -1.790) 3.967 13.448 ( 0.377 0.779 -1.812) 2.008 14.319 ( -0.249 -0.682 0.637) 0.966 14.325 ( -0.026 -1.249 0.228) 1.270 14.364 ( 0.651 -0.111 -0.011) 0.660 14.374 ( -0.113 -1.145 -0.771) 1.385 14.875 ( 1.731 2.002 2.108) 3.383 14.905 ( -0.108 -1.415 -0.401) 1.474 15.022 ( -3.208 4.236 0.318) 5.323 15.043 ( 2.058 3.919 -0.879) 4.513 15.245 ( 1.413 0.147 1.501) 2.066 15.294 ( 0.689 1.612 -1.290) 2.176 15.316 ( -7.063 -9.845 3.113) 12.510 15.420 ( 4.013 -12.213 -4.243) 13.538 18.283 ( -0.519 0.661 0.963) 1.278 18.294 ( -0.681 -0.392 0.138) 0.798 18.435 ( -1.885 2.551 0.762) 3.262 18.451 ( 2.127 1.160 -0.427) 2.460 18.597 ( 1.245 1.577 0.063) 2.010 18.611 ( -1.503 0.521 0.275) 1.615 18.618 ( 0.687 1.252 -1.181) 1.853 18.629 ( 2.865 0.480 -0.864) 3.031 18.734 ( -0.661 0.009 -0.033) 0.662 18.736 ( -1.216 -0.220 -0.131) 1.243 19.009 ( 0.294 0.123 0.535) 0.623 19.024 ( -0.841 -1.400 -0.701) 1.777 21.035 ( -0.302 0.353 3.125) 3.159 21.050 ( 0.172 -1.224 2.458) 2.752 21.505 ( -0.017 2.564 -1.861) 3.168 21.529 ( 0.190 0.070 -3.280) 3.286 23.231 ( -4.760 0.809 -0.037) 4.829 23.235 ( 5.178 0.727 -0.302) 5.237 23.251 ( 0.056 -0.843 0.310) 0.900 23.258 ( 0.317 -1.531 -0.217) 1.579 23.363 ( 1.439 3.924 0.140) 4.182 23.364 ( -1.480 3.194 0.055) 3.520 23.451 ( -3.410 -4.900 1.962) 6.284 23.489 ( 2.766 -7.671 -1.192) 8.241 ======================= Grid point 96 (46/50) ======================= q-point: ( 0.17 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( -8.171 -0.468 -1.818) 8.384 1.665 ( -7.832 -4.172 -0.935) 8.923 1.786 ( -2.368 5.136 0.020) 5.656 1.832 ( -5.450 -1.150 2.229) 6.000 1.953 ( 2.957 7.051 2.770) 8.133 1.976 ( 1.752 4.334 -2.649) 5.373 2.024 ( 2.639 -1.530 -0.721) 3.134 2.094 ( 0.878 -3.593 0.598) 3.747 2.125 ( 0.709 7.814 0.777) 7.885 2.160 ( 0.409 4.445 1.257) 4.637 2.210 ( 2.883 2.401 2.349) 4.426 2.282 ( -1.965 1.050 2.988) 3.727 2.316 ( -1.430 0.568 0.394) 1.588 2.355 ( -3.947 -8.837 -2.191) 9.923 2.445 ( 1.158 -4.161 1.241) 4.494 2.478 ( 3.386 -0.467 -0.539) 3.460 2.553 ( -0.688 1.395 -2.091) 2.606 2.564 ( 2.761 1.984 0.869) 3.509 2.588 ( -3.731 -1.792 0.171) 4.143 2.675 ( 1.121 -1.893 -1.837) 2.866 2.716 ( 1.450 2.976 0.943) 3.442 2.766 ( 4.381 -1.502 -5.624) 7.285 2.804 ( -6.572 1.194 -4.321) 7.955 2.820 ( 1.118 -0.320 -0.789) 1.406 2.888 ( 3.219 -5.217 0.593) 6.159 2.949 ( -5.822 -8.182 -6.641) 12.039 2.987 ( -0.694 -2.689 2.821) 3.958 3.026 ( 1.379 -6.250 2.122) 6.743 3.072 ( -2.365 1.402 -0.947) 2.908 3.106 ( -0.424 -5.218 0.326) 5.245 3.180 ( 0.690 0.313 2.256) 2.380 3.195 ( -0.865 -0.738 0.442) 1.220 3.234 ( -0.406 -2.048 -2.534) 3.283 3.316 ( 0.748 -8.521 -3.003) 9.065 3.388 ( -1.676 0.727 -0.469) 1.886 3.416 ( -2.228 0.243 2.822) 3.604 3.453 ( 2.227 -2.732 1.052) 3.678 3.517 ( 3.543 -6.126 8.924) 11.389 3.604 ( 0.775 0.566 3.159) 3.302 3.660 ( -2.038 -2.450 4.613) 5.607 3.737 ( 3.685 5.725 -2.782) 7.355 3.777 ( 1.762 -0.949 0.066) 2.002 3.827 ( -1.915 2.835 -1.157) 3.612 3.997 ( -1.849 -5.300 -3.354) 6.539 4.154 ( 2.660 7.901 5.087) 9.766 4.192 ( 9.669 1.474 -2.532) 10.103 4.248 ( 3.505 6.632 -3.357) 8.218 4.305 ( 2.095 2.383 1.477) 3.500 4.356 ( 5.624 12.811 -7.312) 15.786 4.427 ( 0.547 -4.270 2.965) 5.227 4.519 ( -1.639 4.400 1.342) 4.883 4.533 ( 2.491 -3.533 2.869) 5.188 4.634 ( 1.533 -4.221 1.779) 4.830 4.702 ( 0.428 1.907 -0.929) 2.164 4.722 ( 2.554 -5.059 -1.024) 5.759 4.735 ( 5.203 -5.573 0.237) 7.628 4.837 ( -4.489 2.110 1.115) 5.084 4.889 ( -4.848 -2.290 4.525) 7.016 4.969 ( -3.143 0.920 0.707) 3.350 4.989 ( -4.722 -1.520 1.945) 5.328 5.018 ( -5.649 4.959 -5.283) 9.188 5.086 ( -5.388 -1.823 -0.571) 5.716 5.134 ( 0.727 0.638 -0.691) 1.189 5.164 ( 0.782 -1.786 -1.112) 2.245 5.300 ( 3.463 4.340 -2.032) 5.912 5.318 ( 2.014 0.770 -3.778) 4.350 5.407 ( -2.437 -1.163 -3.327) 4.285 5.435 ( 1.080 -3.127 -4.128) 5.290 5.582 ( -1.590 -0.415 6.742) 6.939 5.593 ( -2.723 -1.835 5.633) 6.520 5.693 ( -2.700 -0.092 -2.914) 3.974 5.757 ( 0.650 -4.138 -5.000) 6.522 5.872 ( -3.855 5.491 0.263) 6.714 5.914 ( 1.414 0.794 -1.700) 2.350 5.949 ( 4.817 0.488 3.782) 6.144 5.975 ( -1.410 -0.553 -0.412) 1.570 6.034 ( 2.551 -1.744 2.491) 3.969 6.074 ( -1.175 -2.925 0.385) 3.176 6.291 ( -1.691 -0.053 0.271) 1.713 6.297 ( 3.000 -0.988 -0.285) 3.171 6.456 ( 1.034 3.354 2.645) 4.395 6.510 ( 2.747 0.740 1.120) 3.057 6.549 ( -2.260 3.450 0.165) 4.128 6.638 ( -2.026 -4.555 -2.320) 5.499 6.790 ( 6.038 3.233 -2.662) 7.348 6.854 ( 4.658 -2.817 -1.594) 5.672 7.032 ( -1.276 0.777 0.183) 1.505 7.068 ( 0.196 -2.263 3.530) 4.197 7.428 ( -1.481 4.956 -5.410) 7.485 7.487 ( -2.220 0.187 -4.248) 4.797 7.529 ( 1.127 1.155 4.814) 5.077 7.561 ( 3.025 -0.034 6.758) 7.404 7.695 ( -2.571 1.888 -0.485) 3.227 7.758 ( -0.652 1.410 0.424) 1.610 7.866 ( -4.535 -4.457 -2.447) 6.814 7.896 ( -2.671 -2.592 2.040) 4.244 8.010 ( -4.018 2.375 -0.398) 4.684 8.106 ( -3.092 -4.393 -0.995) 5.463 8.150 ( 2.393 4.077 -0.785) 4.792 8.222 ( 2.839 -2.364 0.681) 3.757 8.495 ( -4.613 0.330 -0.764) 4.687 8.505 ( -4.322 -0.582 -1.669) 4.669 8.674 ( -2.624 4.490 5.311) 7.433 8.741 ( 1.254 -1.412 2.772) 3.354 9.001 ( -1.001 5.104 -4.916) 7.157 9.107 ( -4.016 -5.868 -3.599) 7.970 9.194 ( 7.258 6.418 2.357) 9.971 9.303 ( 4.748 -4.490 0.684) 6.570 9.647 ( 2.763 9.186 -2.004) 9.799 9.758 ( 6.774 0.927 -0.384) 6.848 9.847 ( 3.899 -1.997 -1.304) 4.570 9.880 ( 3.585 -0.740 6.591) 7.540 10.084 ( -3.428 5.065 0.379) 6.127 10.182 ( -4.280 -0.628 -0.644) 4.374 10.204 ( 4.959 4.032 -1.112) 6.487 10.335 ( 1.244 -8.911 1.456) 9.114 10.375 ( -0.665 6.918 0.460) 6.965 10.437 ( -0.055 11.698 -5.282) 12.835 10.588 ( -0.891 -7.592 0.323) 7.651 10.711 ( -0.206 -10.346 -2.733) 10.703 10.808 ( -1.478 8.652 3.731) 9.537 10.868 ( 0.064 2.349 1.223) 2.649 11.004 ( 0.128 3.023 -2.336) 3.822 11.026 ( 0.852 -2.624 1.047) 2.951 11.147 ( 0.256 13.723 1.057) 13.766 11.248 ( 5.269 6.912 -1.408) 8.804 11.422 ( -0.739 -6.050 2.527) 6.598 11.448 ( 1.169 1.394 -0.937) 2.047 11.487 ( -2.917 -5.455 -0.697) 6.225 11.570 ( 0.962 -14.804 -0.520) 14.844 11.729 ( -2.001 -1.598 0.564) 2.622 11.806 ( 1.428 -8.527 -0.489) 8.660 12.795 ( -1.762 2.940 4.853) 5.942 12.830 ( -0.934 -0.365 -0.555) 1.146 12.900 ( -1.526 3.010 -4.312) 5.476 12.953 ( 0.805 -1.825 -3.065) 3.657 13.027 ( -5.019 3.139 4.288) 7.310 13.078 ( -4.195 -2.279 2.653) 5.461 13.146 ( 0.208 2.113 -2.722) 3.452 13.171 ( -0.161 -0.681 -1.408) 1.572 13.397 ( 1.991 3.396 0.217) 3.942 13.417 ( 1.456 1.626 -0.054) 2.183 13.441 ( 2.866 3.499 0.091) 4.524 13.473 ( 3.074 0.642 0.150) 3.144 14.312 ( -0.559 -0.137 0.413) 0.708 14.337 ( 0.524 -2.657 0.110) 2.710 14.353 ( -1.057 -0.016 -0.777) 1.312 14.365 ( -0.564 -1.180 -0.104) 1.312 14.874 ( -1.117 1.475 -1.999) 2.724 14.909 ( 0.163 -2.162 -0.536) 2.234 14.969 ( -3.345 4.242 1.783) 5.689 15.040 ( -2.636 -1.229 0.145) 2.912 15.260 ( 1.312 2.812 0.348) 3.123 15.310 ( 3.318 0.716 0.841) 3.497 15.330 ( 1.365 -2.526 2.089) 3.551 15.471 ( 5.459 -13.842 -1.942) 15.005 18.259 ( -3.041 1.401 0.272) 3.359 18.269 ( -2.973 0.277 0.730) 3.074 18.385 ( -3.805 2.768 1.132) 4.840 18.449 ( -2.030 -2.921 -0.120) 3.559 18.542 ( -3.303 2.961 -2.766) 5.228 18.578 ( -2.059 0.756 -1.226) 2.513 18.644 ( 0.854 2.147 0.748) 2.429 18.681 ( 4.441 -0.710 -0.380) 4.513 18.751 ( 2.454 1.392 0.793) 2.931 18.771 ( 3.144 -0.825 0.006) 3.250 19.005 ( -0.755 0.174 -0.121) 0.785 19.025 ( 0.453 -1.600 0.995) 1.937 21.043 ( -0.797 1.494 0.465) 1.756 21.082 ( 1.135 -2.399 -0.148) 2.658 21.484 ( -1.424 1.694 0.989) 2.424 21.491 ( -1.236 1.068 -1.360) 2.126 23.122 ( -6.651 2.670 -0.158) 7.169 23.176 ( -5.112 -2.705 -1.666) 6.018 23.223 ( -3.771 0.507 0.593) 3.851 23.263 ( -2.287 -2.913 1.905) 4.165 23.422 ( 6.460 1.310 -1.799) 6.832 23.437 ( 5.384 3.353 1.309) 6.476 23.471 ( 3.044 -2.712 -0.405) 4.097 23.546 ( 4.372 -5.927 0.082) 7.366 ======================= Grid point 98 (47/50) ======================= q-point: ( 0.33 0.44 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( -6.788 -3.526 -3.676) 8.486 1.487 ( -8.720 -6.423 -3.173) 11.285 1.743 ( -2.758 3.000 1.022) 4.201 1.788 ( -3.460 -2.275 2.000) 4.599 2.000 ( 0.348 2.913 -0.767) 3.032 2.020 ( -0.107 0.174 -0.953) 0.975 2.053 ( 3.130 5.008 6.738) 8.960 2.076 ( -1.874 1.004 0.072) 2.127 2.123 ( 1.210 0.490 -2.230) 2.584 2.141 ( -3.264 5.509 -2.465) 6.861 2.234 ( -1.233 -2.152 1.461) 2.879 2.289 ( -0.689 -1.106 -1.024) 1.657 2.320 ( -2.236 6.613 1.423) 7.124 2.368 ( 2.166 -0.231 5.205) 5.643 2.441 ( 2.861 -2.446 0.194) 3.769 2.492 ( -0.831 -4.060 1.695) 4.478 2.551 ( 1.868 1.259 1.765) 2.862 2.567 ( 0.831 4.402 0.186) 4.483 2.626 ( 0.938 -3.081 -2.813) 4.276 2.670 ( 0.340 -3.851 -0.239) 3.873 2.705 ( 0.190 1.644 -2.659) 3.132 2.740 ( 0.892 3.127 0.003) 3.252 2.812 ( -1.728 1.712 -1.420) 2.816 2.826 ( 8.452 1.326 -6.960) 11.029 2.877 ( 5.344 -5.057 0.798) 7.401 2.939 ( 1.279 -4.570 -1.223) 4.900 2.982 ( -2.561 -3.118 0.177) 4.039 3.033 ( 1.583 -5.860 -0.602) 6.100 3.064 ( 0.048 -3.763 0.374) 3.782 3.103 ( -0.290 -4.540 2.155) 5.034 3.115 ( -4.498 -1.602 0.363) 4.789 3.185 ( -4.163 -11.056 -2.231) 12.022 3.221 ( -0.681 1.941 1.529) 2.563 3.262 ( -1.423 -2.876 2.099) 3.835 3.377 ( 3.080 -0.348 -7.777) 8.372 3.388 ( -0.590 -0.825 -0.899) 1.355 3.522 ( -5.180 2.992 -1.886) 6.272 3.580 ( -2.847 1.651 5.612) 6.506 3.649 ( 1.249 1.982 6.277) 6.700 3.674 ( 2.019 -0.191 1.241) 2.377 3.770 ( 3.029 -2.646 3.398) 5.265 3.847 ( -0.666 -9.091 -2.873) 9.558 3.891 ( 6.316 3.767 5.312) 9.072 3.998 ( 5.773 -5.750 5.761) 9.979 4.140 ( -4.294 14.927 -5.120) 16.354 4.272 ( 2.948 5.991 2.909) 7.283 4.324 ( 2.669 -2.405 -1.581) 3.925 4.341 ( 1.674 4.068 -3.473) 5.605 4.423 ( 1.506 -3.501 -2.708) 4.675 4.453 ( 9.313 7.648 -1.997) 12.216 4.514 ( -8.733 -1.383 0.546) 8.859 4.537 ( 2.365 -1.958 0.426) 3.100 4.643 ( -1.763 0.024 -2.166) 2.793 4.719 ( -1.159 -4.260 0.588) 4.454 4.739 ( -4.535 2.460 4.239) 6.677 4.749 ( -0.617 2.281 2.949) 3.779 4.815 ( -1.058 2.261 -2.641) 3.634 4.878 ( -5.115 -2.213 -4.117) 6.929 4.900 ( 3.914 0.277 4.967) 6.330 4.946 ( -3.621 -1.978 1.926) 4.553 4.982 ( 3.791 -1.320 1.503) 4.286 4.993 ( 0.668 -1.336 3.317) 3.637 5.182 ( 4.461 1.308 2.730) 5.391 5.225 ( 2.660 -1.788 -0.919) 3.334 5.285 ( -1.447 2.928 -2.620) 4.187 5.300 ( -0.495 1.082 0.364) 1.245 5.363 ( 1.375 3.623 -0.872) 3.972 5.414 ( 0.715 -3.609 -4.093) 5.503 5.547 ( -3.563 1.844 -1.499) 4.283 5.561 ( -2.741 1.062 -5.872) 6.566 5.591 ( -4.184 -4.047 -0.770) 5.872 5.668 ( -0.875 -7.271 -8.434) 11.169 5.851 ( -2.545 9.114 1.369) 9.561 5.917 ( -1.152 1.406 3.032) 3.535 5.949 ( -0.504 -1.235 1.204) 1.796 6.061 ( -1.548 -10.562 1.504) 10.781 6.074 ( 5.061 3.514 1.549) 6.354 6.138 ( 4.134 -2.112 -0.472) 4.666 6.206 ( -5.093 4.275 -0.995) 6.723 6.306 ( -0.039 -4.903 -3.123) 5.813 6.498 ( -1.541 3.690 -1.212) 4.179 6.539 ( -1.746 1.255 -0.735) 2.273 6.596 ( 3.780 0.393 6.215) 7.285 6.624 ( 3.710 -3.216 3.167) 5.843 6.824 ( 4.445 1.949 -6.058) 7.762 6.877 ( 2.757 -2.790 -4.110) 5.681 7.057 ( 0.760 2.324 2.799) 3.717 7.093 ( -1.593 -1.243 2.198) 2.986 7.442 ( 5.766 1.341 -0.550) 5.946 7.450 ( 1.465 0.616 -0.133) 1.594 7.562 ( -1.703 3.047 2.996) 4.600 7.631 ( 0.370 2.571 -0.780) 2.712 7.680 ( -0.522 -6.702 4.076) 7.861 7.702 ( -6.383 -4.234 -1.859) 7.882 7.763 ( -3.788 5.634 1.331) 6.919 7.893 ( -3.831 -5.895 3.130) 7.696 7.953 ( -2.110 2.810 -0.030) 3.514 8.034 ( -2.592 -3.992 -2.723) 5.484 8.177 ( 2.525 4.608 0.144) 5.257 8.254 ( 0.795 -2.630 -0.706) 2.837 8.419 ( -4.000 0.033 0.110) 4.002 8.431 ( -2.393 -1.754 1.893) 3.519 8.646 ( -4.074 5.290 -1.811) 6.919 8.751 ( -1.370 -4.316 -3.004) 5.434 9.000 ( 2.467 3.223 2.660) 4.853 9.050 ( -0.838 -2.536 2.342) 3.552 9.303 ( 4.992 3.169 -2.228) 6.319 9.333 ( 1.534 -0.268 -4.076) 4.363 9.737 ( 6.613 5.729 2.048) 8.986 9.804 ( 3.151 -0.523 -1.615) 3.580 9.929 ( 1.236 5.578 1.343) 5.869 10.001 ( 6.289 3.809 0.565) 7.374 10.050 ( -3.470 6.992 3.523) 8.564 10.125 ( -0.498 1.407 -0.671) 1.636 10.266 ( -2.442 3.400 0.679) 4.240 10.340 ( 2.713 4.531 1.304) 5.440 10.361 ( -2.222 -1.621 2.843) 3.955 10.438 ( 6.937 3.154 -5.788) 9.569 10.584 ( -0.430 -8.808 -3.095) 9.346 10.626 ( -4.073 -4.436 -1.218) 6.144 10.823 ( -1.137 5.972 0.662) 6.115 10.881 ( 0.432 0.402 0.145) 0.608 11.006 ( 2.420 3.342 -0.821) 4.207 11.045 ( -0.104 -2.990 1.212) 3.228 11.180 ( 1.496 10.818 2.265) 11.153 11.292 ( 1.056 2.508 -2.006) 3.380 11.363 ( -3.688 -6.093 -0.183) 7.124 11.479 ( 0.900 1.908 3.080) 3.733 11.519 ( 2.804 -2.263 1.342) 3.845 11.549 ( -1.510 -13.069 -2.523) 13.396 11.726 ( 0.758 -1.333 1.158) 1.922 11.811 ( -0.510 -8.903 -0.202) 8.920 12.774 ( -0.308 1.487 -2.803) 3.188 12.808 ( -2.435 -1.198 -0.940) 2.872 12.837 ( -0.544 5.280 -1.170) 5.436 12.921 ( -0.450 -3.085 -3.385) 4.602 13.001 ( -3.583 3.540 4.379) 6.674 13.056 ( -2.542 -2.179 3.535) 4.869 13.124 ( -0.512 1.611 -0.896) 1.913 13.144 ( -1.142 -0.440 -1.141) 1.673 13.441 ( 2.505 2.838 0.688) 3.848 13.450 ( 1.687 2.126 0.830) 2.838 13.493 ( 2.065 3.638 1.038) 4.311 13.521 ( 1.800 0.902 0.562) 2.091 14.309 ( -0.078 0.120 -0.723) 0.737 14.333 ( -0.246 -1.853 -0.524) 1.941 14.336 ( -0.885 -1.264 -0.277) 1.567 14.352 ( -0.345 -2.720 0.353) 2.764 14.850 ( 0.524 1.572 -0.782) 1.832 14.893 ( -0.262 -2.623 -0.834) 2.765 14.944 ( -2.046 1.588 1.188) 2.850 14.984 ( -3.326 -2.097 0.187) 3.936 15.321 ( 2.795 5.232 1.933) 6.239 15.372 ( 1.792 -1.978 1.625) 3.125 15.376 ( 3.683 0.994 -1.203) 4.000 15.513 ( 1.186 -10.875 -1.707) 11.072 18.207 ( -2.398 2.113 -0.373) 3.218 18.224 ( -2.714 -0.177 0.197) 2.727 18.343 ( -3.821 2.435 2.381) 5.118 18.413 ( -1.656 -3.069 0.006) 3.488 18.460 ( -1.953 2.580 -3.216) 4.562 18.520 ( -1.049 -1.876 -3.282) 3.923 18.681 ( 0.597 4.882 2.999) 5.761 18.747 ( 3.159 -1.155 0.261) 3.373 18.791 ( 1.436 1.371 0.079) 1.987 18.817 ( 2.401 -1.330 -0.337) 2.766 19.002 ( -0.355 1.338 1.290) 1.892 19.042 ( 0.051 -2.300 1.067) 2.536 21.018 ( -0.728 2.021 -2.569) 3.348 21.070 ( -0.003 -2.879 -3.508) 4.539 21.473 ( -1.006 2.452 2.031) 3.339 21.493 ( -0.645 0.291 3.316) 3.391 23.026 ( -4.206 1.838 -0.530) 4.621 23.076 ( -3.285 -3.286 -2.882) 5.467 23.187 ( -2.121 1.617 2.324) 3.538 23.247 ( -2.489 -3.518 2.838) 5.160 23.487 ( 3.717 -1.242 -3.045) 4.963 23.490 ( 2.814 -1.545 -2.713) 4.203 23.552 ( 4.306 2.926 2.372) 5.721 23.614 ( 2.647 -3.323 0.888) 4.340 ======================= Grid point 99 (48/50) ======================= q-point: (-0.50 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.368 ( 1.274 -6.278 -2.764) 6.977 1.371 ( 0.139 -6.359 -3.003) 7.034 1.733 ( 0.176 -0.590 1.325) 1.461 1.756 ( -0.901 -2.917 0.059) 3.054 1.988 ( -3.230 0.128 1.395) 3.521 1.995 ( -0.108 -1.064 0.203) 1.089 2.063 ( -2.018 4.363 -0.447) 4.828 2.067 ( 3.672 5.525 -1.131) 6.730 2.132 ( 0.120 3.273 0.465) 3.308 2.168 ( 3.476 0.735 -1.851) 4.006 2.234 ( -1.098 1.058 -0.277) 1.550 2.246 ( 0.070 2.637 -0.951) 2.804 2.343 ( -1.209 5.461 8.241) 9.959 2.448 ( 0.484 -2.429 2.653) 3.629 2.459 ( -4.663 1.062 2.501) 5.397 2.529 ( -0.358 -4.063 3.301) 5.247 2.556 ( 3.130 7.008 -1.703) 7.862 2.605 ( 1.454 -0.640 -0.299) 1.616 2.628 ( -0.942 -3.276 -3.222) 4.690 2.670 ( -0.960 -6.056 -2.222) 6.522 2.686 ( 1.708 6.174 3.288) 7.201 2.764 ( -0.651 4.507 -1.029) 4.669 2.787 ( 3.196 -1.493 1.656) 3.897 2.829 ( -1.192 -4.456 -3.586) 5.842 2.906 ( -4.005 -6.221 -1.689) 7.589 2.934 ( 2.786 -1.054 -4.004) 4.990 2.997 ( 2.211 -6.451 0.555) 6.842 3.012 ( -1.355 -5.904 0.796) 6.110 3.063 ( -1.387 -2.930 -2.552) 4.125 3.076 ( 1.071 -3.831 0.591) 4.022 3.137 ( 2.474 0.320 1.618) 2.973 3.198 ( 2.864 -6.196 5.214) 8.589 3.236 ( -0.029 2.421 0.803) 2.551 3.295 ( 0.706 -5.284 1.538) 5.548 3.320 ( 1.853 -1.705 -6.829) 7.278 3.336 ( -2.676 -0.957 -4.198) 5.069 3.440 ( -1.177 -1.715 -1.140) 2.372 3.487 ( -3.967 -5.010 -2.820) 6.985 3.676 ( -2.552 5.309 3.011) 6.616 3.755 ( 2.085 2.636 1.853) 3.838 3.885 ( -2.938 1.975 5.968) 6.939 3.906 ( 0.954 1.093 7.729) 7.864 3.972 ( -2.424 3.153 3.367) 5.211 4.065 ( 0.902 -1.441 1.911) 2.558 4.111 ( 7.577 2.671 -2.085) 8.300 4.254 ( 2.671 -6.568 -9.656) 11.980 4.291 ( -7.892 7.510 -1.578) 11.008 4.328 ( 1.814 5.077 -2.244) 5.839 4.374 ( -4.797 3.821 4.133) 7.396 4.438 ( 0.704 -1.574 1.464) 2.262 4.548 ( 0.043 -0.623 -2.048) 2.141 4.574 ( 1.687 3.849 0.664) 4.255 4.605 ( 1.054 -8.179 -2.535) 8.628 4.639 ( -1.290 -2.125 2.049) 3.221 4.671 ( -5.521 5.204 -6.186) 9.789 4.748 ( 0.223 -1.975 -4.260) 4.700 4.817 ( 2.745 -1.223 4.643) 5.530 4.858 ( -2.018 -2.571 2.452) 4.086 4.960 ( 4.345 6.158 5.295) 9.211 4.992 ( -0.860 2.659 2.731) 3.907 5.044 ( 2.774 4.262 3.545) 6.199 5.152 ( 0.136 -1.065 -0.473) 1.173 5.172 ( -1.049 -0.298 2.391) 2.628 5.210 ( -1.415 1.494 -0.250) 2.073 5.310 ( 5.938 2.052 0.251) 6.287 5.359 ( -0.278 -1.993 0.762) 2.151 5.365 ( -0.359 0.605 -1.650) 1.793 5.408 ( 2.805 -2.273 1.323) 3.845 5.443 ( -0.016 1.714 -2.691) 3.191 5.492 ( 0.175 0.404 -2.797) 2.831 5.543 ( -1.946 -3.470 -2.218) 4.555 5.586 ( 1.001 -5.040 -6.076) 7.957 5.773 ( -0.858 3.248 -3.643) 4.955 5.855 ( -4.235 -3.586 -6.933) 8.880 6.003 ( -0.678 -1.088 3.692) 3.908 6.033 ( 1.205 -4.021 0.672) 4.252 6.144 ( -2.520 0.527 2.871) 3.856 6.168 ( -2.223 -2.346 0.175) 3.237 6.186 ( 5.240 3.567 2.069) 6.668 6.266 ( 1.022 -3.944 -4.085) 5.770 6.462 ( -1.336 2.606 0.568) 2.983 6.488 ( -1.673 0.173 -1.177) 2.052 6.687 ( -1.110 1.936 4.042) 4.617 6.721 ( 0.875 -0.943 4.370) 4.556 6.816 ( 2.435 0.558 -5.193) 5.762 6.867 ( 2.149 -3.682 -5.607) 7.044 7.078 ( -1.751 1.649 2.199) 3.259 7.093 ( -0.352 0.343 1.456) 1.537 7.490 ( 2.154 -1.214 1.088) 2.702 7.495 ( -1.635 -1.795 0.663) 2.516 7.601 ( -0.167 1.374 3.393) 3.665 7.609 ( 0.766 -0.431 0.112) 0.886 7.634 ( -2.517 1.710 -1.050) 3.219 7.670 ( 0.337 0.449 -1.760) 1.847 7.782 ( 2.102 -2.148 5.012) 5.844 7.825 ( -3.960 -4.465 0.721) 6.011 7.939 ( 0.671 1.392 -0.144) 1.552 7.978 ( 0.676 -1.736 -3.466) 3.935 8.241 ( 0.673 1.609 1.643) 2.396 8.262 ( 1.124 -0.335 -0.176) 1.186 8.380 ( -0.448 4.144 3.226) 5.270 8.477 ( 1.649 -5.592 6.115) 8.449 8.529 ( -2.521 5.251 -7.286) 9.328 8.650 ( -2.103 -6.459 -7.923) 10.436 9.097 ( 0.548 2.533 7.502) 7.937 9.110 ( 1.227 1.053 6.514) 6.712 9.279 ( -0.739 2.016 -6.197) 6.559 9.300 ( 1.231 0.339 -7.237) 7.349 9.828 ( 0.916 3.825 1.720) 4.293 9.844 ( 0.998 3.531 0.723) 3.740 9.954 ( -0.751 8.017 2.359) 8.391 10.011 ( -2.471 -0.958 -2.329) 3.528 10.049 ( -1.442 4.404 4.582) 6.517 10.162 ( 3.696 13.749 -3.717) 14.714 10.236 ( -3.390 -3.986 6.705) 8.505 10.347 ( -1.708 2.652 2.536) 4.047 10.385 ( 0.582 11.422 -4.095) 12.147 10.484 ( 1.126 -6.119 -5.220) 8.121 10.521 ( 4.760 -2.340 0.145) 5.306 10.596 ( 1.022 -6.851 -3.888) 7.943 10.811 ( -1.846 2.291 2.607) 3.931 10.865 ( -1.797 -1.840 -1.220) 2.847 11.031 ( -2.314 0.126 0.940) 2.500 11.044 ( 1.648 0.179 -0.222) 1.673 11.218 ( -2.427 5.691 3.036) 6.892 11.279 ( 3.944 4.861 -1.690) 6.484 11.380 ( 2.998 -5.332 2.065) 6.456 11.463 ( -3.842 -4.067 -3.877) 6.807 11.516 ( -1.502 -2.061 3.434) 4.277 11.568 ( 2.288 -2.736 -0.930) 3.686 11.756 ( -1.076 -5.168 2.178) 5.711 11.796 ( 0.803 -7.411 -1.131) 7.540 12.749 ( -1.150 1.478 -0.930) 2.091 12.759 ( -0.762 1.223 -1.398) 2.008 12.831 ( 0.574 2.161 -0.062) 2.237 12.882 ( 1.321 -2.364 -3.817) 4.680 13.016 ( -0.275 2.893 4.062) 4.994 13.061 ( -0.701 -1.589 1.609) 2.367 13.107 ( 0.200 1.287 -0.737) 1.496 13.125 ( 0.448 -0.530 -1.027) 1.240 13.479 ( 0.346 2.687 0.886) 2.850 13.483 ( 1.125 2.239 0.638) 2.586 13.521 ( -0.555 3.015 1.436) 3.386 13.536 ( -0.617 1.486 0.233) 1.625 14.299 ( -0.902 -1.650 -0.592) 1.971 14.305 ( 0.661 -2.080 -1.095) 2.442 14.347 ( 0.376 -1.348 0.407) 1.458 14.352 ( 0.078 -1.894 0.020) 1.896 14.866 ( 1.078 0.774 0.399) 1.385 14.884 ( 0.030 -0.698 -1.026) 1.241 14.937 ( 0.082 -1.027 1.028) 1.455 14.949 ( -0.864 -1.961 0.053) 2.143 15.356 ( -1.781 2.768 2.269) 3.998 15.403 ( 0.834 2.153 1.274) 2.637 15.422 ( 3.009 -3.827 -1.704) 5.158 15.470 ( -2.987 -4.475 -2.185) 5.807 18.186 ( 0.052 0.993 -0.054) 0.996 18.201 ( 1.094 -0.743 -1.140) 1.746 18.315 ( -2.980 4.278 3.336) 6.189 18.397 ( 0.220 0.195 -1.041) 1.082 18.423 ( 0.781 -0.784 -1.099) 1.559 18.485 ( 1.690 -3.047 -3.756) 5.123 18.717 ( -0.815 4.556 3.374) 5.727 18.775 ( 0.382 0.266 -1.082) 1.178 18.804 ( -0.606 0.384 1.152) 1.357 18.837 ( 1.001 -1.479 -1.078) 2.086 19.020 ( -0.052 1.227 2.255) 2.568 19.045 ( -0.676 -1.017 0.301) 1.258 20.982 ( -0.243 0.925 -1.403) 1.698 21.021 ( -0.026 -2.899 -4.279) 5.169 21.498 ( -0.048 2.807 3.210) 4.264 21.521 ( 0.343 0.314 1.670) 1.733 22.984 ( -0.113 0.184 -0.052) 0.222 23.019 ( 0.748 -3.305 -3.022) 4.540 23.205 ( -0.100 1.709 3.600) 3.986 23.243 ( -1.213 -1.240 1.579) 2.346 23.470 ( -0.855 -0.630 -1.678) 1.986 23.506 ( 2.379 -3.621 -3.711) 5.704 23.620 ( 0.554 0.979 2.011) 2.304 23.636 ( -1.318 -0.706 0.607) 1.614 ======================= Grid point 101 (49/50) ======================= q-point: (-0.33 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.415 ( 7.969 -3.811 -1.240) 8.920 1.449 ( 9.700 -7.097 -0.763) 12.043 1.771 ( 3.105 -0.736 -0.201) 3.198 1.785 ( 2.928 -1.908 1.356) 3.749 1.975 ( 0.277 1.030 0.992) 1.457 1.997 ( -1.376 0.257 0.891) 1.659 2.037 ( -1.801 5.487 0.014) 5.776 2.099 ( -1.445 2.454 -0.196) 2.854 2.152 ( 4.789 8.015 -2.423) 9.645 2.195 ( -3.389 4.581 0.974) 5.780 2.219 ( 2.601 -0.411 1.488) 3.025 2.254 ( 3.576 3.639 -1.978) 5.472 2.348 ( -3.584 4.908 3.037) 6.794 2.428 ( -2.702 -2.511 4.266) 5.640 2.459 ( -3.083 -1.152 -1.493) 3.614 2.521 ( -4.973 -2.580 -0.871) 5.669 2.525 ( -0.317 -6.509 1.266) 6.638 2.580 ( 1.414 -0.327 -1.593) 2.155 2.629 ( -4.227 -1.939 0.850) 4.727 2.652 ( 1.594 1.995 -2.621) 3.660 2.689 ( -2.221 0.661 0.161) 2.322 2.724 ( -1.040 -3.651 -3.342) 5.058 2.787 ( -0.428 1.346 0.096) 1.416 2.837 ( 0.614 -0.795 -4.240) 4.357 2.846 ( -2.849 -2.982 0.512) 4.156 2.933 ( 2.968 -3.502 1.845) 4.947 2.986 ( -1.317 -2.902 -1.518) 3.530 3.004 ( -1.873 -5.136 0.950) 5.549 3.068 ( -0.022 -5.328 -0.440) 5.347 3.106 ( 2.208 -3.634 -1.609) 4.546 3.197 ( 1.661 -2.218 -0.637) 2.843 3.199 ( 1.697 4.210 2.403) 5.136 3.232 ( -0.264 -5.249 -3.527) 6.329 3.293 ( 1.694 -2.458 -0.922) 3.124 3.312 ( 3.109 -2.550 -2.376) 4.671 3.344 ( 2.172 -4.297 2.254) 5.316 3.461 ( 2.854 -2.876 0.450) 4.077 3.501 ( 2.980 -6.260 6.869) 9.760 3.674 ( -4.603 12.028 4.944) 13.795 3.753 ( -1.698 4.452 -2.752) 5.502 3.769 ( -3.909 0.340 -1.660) 4.260 3.922 ( -8.226 -7.262 7.683) 13.396 4.013 ( -5.668 3.915 -2.632) 7.374 4.068 ( 2.400 2.125 0.284) 3.218 4.152 ( -6.414 12.449 3.858) 14.526 4.199 ( 4.511 2.115 -11.885) 12.888 4.260 ( 5.081 -3.121 -5.253) 7.947 4.338 ( -7.608 1.061 5.227) 9.291 4.385 ( 2.576 1.120 1.277) 3.086 4.437 ( -1.456 -1.167 3.593) 4.049 4.471 ( -1.038 -2.440 -1.520) 3.057 4.525 ( -1.606 -5.071 2.307) 5.798 4.564 ( -1.491 3.853 1.352) 4.347 4.665 ( -0.513 -2.978 3.298) 4.473 4.736 ( 6.042 4.786 2.379) 8.067 4.782 ( 7.225 -1.781 0.291) 7.446 4.824 ( -0.088 0.978 -1.252) 1.591 4.903 ( 0.201 -5.549 0.312) 5.561 4.962 ( -0.398 6.009 -1.280) 6.156 5.038 ( -1.427 1.809 -3.530) 4.215 5.060 ( 0.784 2.403 -2.624) 3.643 5.126 ( -5.155 1.288 1.006) 5.408 5.166 ( 2.390 -0.031 0.474) 2.437 5.217 ( -4.644 0.725 -6.832) 8.293 5.240 ( 0.484 2.504 2.696) 3.711 5.344 ( -1.150 -2.171 -0.984) 2.647 5.361 ( -1.521 -2.072 0.084) 2.572 5.397 ( -2.660 -4.966 -6.725) 8.773 5.450 ( 2.852 2.656 0.143) 3.900 5.507 ( -0.409 -1.138 3.167) 3.390 5.575 ( 5.346 -0.474 -1.015) 5.462 5.611 ( 8.061 -3.187 -1.008) 8.726 5.800 ( 4.419 2.572 0.278) 5.121 5.854 ( 5.433 -2.357 7.052) 9.209 5.989 ( -2.654 -1.182 1.029) 3.082 6.042 ( -0.293 -5.174 -0.417) 5.199 6.078 ( -4.955 2.437 0.014) 5.522 6.110 ( -3.731 -1.126 0.851) 3.989 6.266 ( 2.528 1.022 -3.492) 4.431 6.284 ( 2.379 -1.709 -0.773) 3.029 6.462 ( -0.911 2.532 1.921) 3.306 6.497 ( 1.944 -0.627 2.609) 3.313 6.676 ( -3.833 2.968 2.424) 5.421 6.708 ( -3.973 0.045 -1.746) 4.340 6.795 ( -0.548 -1.693 -3.200) 3.662 6.811 ( -1.135 -3.249 -3.244) 4.729 7.075 ( -1.272 2.288 1.671) 3.106 7.104 ( 0.172 -0.878 1.429) 1.686 7.441 ( -4.962 3.420 -1.055) 6.118 7.489 ( -5.618 -1.511 -2.518) 6.339 7.554 ( -2.068 1.810 2.253) 3.553 7.616 ( 5.272 -2.510 3.340) 6.727 7.681 ( 2.228 2.488 1.252) 3.567 7.700 ( 3.522 -1.686 -1.786) 4.294 7.839 ( 3.247 -2.552 -0.491) 4.159 7.892 ( 4.862 -5.892 1.853) 7.861 7.964 ( 2.238 3.100 0.468) 3.852 7.999 ( 4.498 -0.515 -1.635) 4.814 8.213 ( -3.685 2.036 -1.150) 4.364 8.247 ( -0.902 -1.045 -0.170) 1.391 8.441 ( -1.226 3.152 -0.082) 3.383 8.462 ( 2.076 1.776 -1.896) 3.325 8.571 ( 3.035 -1.733 0.975) 3.628 8.618 ( 6.405 -5.292 4.889) 9.640 9.111 ( -4.350 6.065 -2.484) 7.866 9.196 ( -0.032 -2.174 -3.410) 4.045 9.213 ( -0.724 0.832 1.040) 1.515 9.218 ( -1.012 0.909 1.506) 2.029 9.792 ( -4.388 2.477 -1.839) 5.364 9.814 ( -6.817 1.140 -2.518) 7.356 9.894 ( -7.440 8.221 3.735) 11.700 9.969 ( -2.319 6.597 2.682) 7.489 10.084 ( 0.742 2.621 1.598) 3.158 10.171 ( 3.921 6.931 -3.912) 8.872 10.238 ( -3.076 -4.899 5.026) 7.663 10.343 ( -0.865 9.558 -0.147) 9.598 10.377 ( 0.194 0.628 -0.110) 0.666 10.472 ( 3.076 1.243 -4.854) 5.879 10.564 ( 4.179 -5.746 -4.484) 8.402 10.609 ( 2.589 -7.771 -0.011) 8.190 10.816 ( -2.519 1.500 2.024) 3.562 10.820 ( -2.392 -0.745 3.647) 4.425 10.995 ( -1.764 4.064 -0.043) 4.430 11.061 ( -0.370 -1.087 -0.116) 1.154 11.203 ( -2.156 11.989 1.194) 12.240 11.316 ( -0.537 6.629 -3.510) 7.520 11.380 ( 3.209 -3.083 -1.455) 4.682 11.460 ( -1.339 -8.391 3.683) 9.261 11.518 ( 1.010 -5.750 1.080) 5.937 11.569 ( 0.179 -4.669 -2.317) 5.215 11.732 ( -2.444 -2.610 0.832) 3.671 11.816 ( 1.546 -9.387 -0.496) 9.526 12.707 ( -2.808 3.552 0.998) 4.637 12.758 ( 0.019 -0.969 1.257) 1.588 12.856 ( 2.519 1.653 -0.554) 3.064 12.893 ( 3.566 -1.378 -1.709) 4.188 13.069 ( 1.351 1.517 2.021) 2.866 13.077 ( 2.768 1.226 -0.221) 3.036 13.122 ( 1.296 -0.170 0.004) 1.307 13.132 ( 2.216 -0.377 -1.412) 2.654 13.468 ( -1.832 3.136 -0.928) 3.748 13.481 ( -1.047 1.985 -1.132) 2.513 13.505 ( -2.863 2.448 0.458) 3.794 13.515 ( -2.303 1.664 1.333) 3.139 14.289 ( 0.221 -0.449 0.349) 0.611 14.321 ( 1.235 -3.728 -0.071) 3.928 14.346 ( 0.302 -0.321 -0.364) 0.571 14.358 ( 0.445 -1.763 -0.273) 1.838 14.857 ( -0.942 1.578 -1.277) 2.238 14.888 ( 0.848 -1.286 -0.304) 1.571 14.957 ( 1.847 -0.405 0.154) 1.897 14.975 ( 2.507 -1.765 0.951) 3.210 15.325 ( -4.335 4.093 1.727) 6.207 15.373 ( -3.992 2.008 -1.553) 4.730 15.426 ( -1.128 -3.399 1.748) 3.985 15.444 ( 0.410 -8.295 -0.613) 8.327 18.206 ( 2.595 1.357 -0.113) 2.930 18.233 ( 3.662 -1.427 -0.863) 4.024 18.333 ( 0.258 5.270 3.936) 6.583 18.396 ( 1.177 1.152 -1.271) 2.080 18.461 ( 4.244 -1.871 0.017) 4.638 18.491 ( 3.556 -2.802 -2.933) 5.394 18.721 ( -2.746 2.623 2.201) 4.389 18.739 ( -2.525 1.629 -1.783) 3.494 18.793 ( -1.742 0.829 0.603) 2.021 18.826 ( -1.107 -1.522 -0.835) 2.059 19.027 ( -1.078 0.940 -0.394) 1.483 19.042 ( -0.197 -0.619 1.388) 1.532 20.985 ( 0.275 -0.562 0.516) 0.811 20.992 ( 0.540 -1.349 -0.247) 1.474 21.523 ( 0.403 2.399 0.108) 2.435 21.541 ( 1.358 0.556 -0.431) 1.529 23.024 ( 4.222 -0.671 0.624) 4.320 23.042 ( 5.232 -2.356 -1.626) 5.964 23.237 ( 0.173 1.571 -0.334) 1.615 23.249 ( 0.592 0.228 2.360) 2.443 23.432 ( -2.896 0.095 0.441) 2.931 23.494 ( 0.704 -5.625 -2.720) 6.288 23.581 ( -5.494 1.526 -0.122) 5.703 23.610 ( -3.919 -1.278 1.245) 4.306 ======================= Grid point 102 (50/50) ======================= q-point: (-0.17 0.44 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.67e-09 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( 10.075 -0.369 0.783) 10.112 1.637 ( 11.245 -6.391 0.941) 12.968 1.807 ( 1.144 4.638 -1.388) 4.974 1.840 ( 1.713 -0.850 1.598) 2.493 1.927 ( -6.760 4.581 1.778) 8.358 1.977 ( -1.706 -0.469 -0.661) 1.889 2.024 ( 0.879 3.671 -0.292) 3.786 2.104 ( -0.644 4.223 0.686) 4.327 2.139 ( -1.498 5.982 -0.787) 6.216 2.195 ( 0.620 7.579 0.625) 7.630 2.233 ( 0.817 1.452 2.778) 3.239 2.294 ( -4.519 4.438 -0.604) 6.363 2.349 ( 4.016 0.931 -2.668) 4.911 2.388 ( -6.079 -4.766 -2.658) 8.169 2.433 ( -3.773 -5.257 1.661) 6.681 2.458 ( 0.500 0.117 4.229) 4.260 2.519 ( 1.061 -6.385 -2.116) 6.809 2.559 ( 2.065 -5.683 -1.023) 6.132 2.599 ( 2.330 2.889 -1.291) 3.930 2.654 ( -0.946 -6.504 0.507) 6.592 2.673 ( 1.028 -0.675 0.724) 1.427 2.724 ( 2.739 0.425 -0.226) 2.781 2.757 ( -1.886 -0.425 2.285) 2.993 2.798 ( 2.829 -5.392 0.452) 6.106 2.832 ( -0.515 -2.362 -2.440) 3.435 2.926 ( -3.467 -4.544 -1.088) 5.819 2.980 ( -1.333 -0.224 1.464) 1.992 3.020 ( 1.258 -3.328 1.047) 3.709 3.050 ( 0.217 -1.124 1.139) 1.615 3.130 ( 1.833 -7.302 -0.947) 7.588 3.205 ( 0.327 1.508 -1.690) 2.288 3.235 ( 2.873 -4.587 0.257) 5.418 3.279 ( 0.881 -2.559 -4.251) 5.039 3.281 ( 1.132 -2.791 -0.526) 3.057 3.346 ( 5.275 2.068 0.976) 5.749 3.421 ( 3.271 -4.311 0.913) 5.488 3.521 ( -0.990 2.014 3.637) 4.274 3.566 ( -4.616 5.095 2.486) 7.311 3.673 ( 2.350 -1.109 2.430) 3.558 3.691 ( -7.486 0.213 -2.518) 7.901 3.731 ( 0.976 1.956 0.652) 2.281 3.840 ( -5.966 3.205 -4.596) 8.185 3.928 ( 6.248 -10.298 -2.382) 12.278 3.961 ( -7.263 -7.436 -7.036) 12.552 4.113 ( -5.618 8.845 2.217) 10.710 4.139 ( -5.704 9.073 4.287) 11.543 4.160 ( -2.967 4.401 0.170) 5.310 4.293 ( -4.019 3.593 2.151) 5.804 4.369 ( -0.877 6.313 -4.470) 7.785 4.463 ( 2.790 -0.946 0.302) 2.961 4.520 ( -3.656 -6.203 2.739) 7.703 4.559 ( 4.565 -1.600 2.049) 5.254 4.644 ( 0.420 1.819 2.902) 3.451 4.671 ( -1.884 -1.633 0.531) 2.549 4.788 ( -1.393 1.942 -1.224) 2.685 4.823 ( -3.216 -2.712 -7.524) 8.620 4.851 ( 0.664 4.642 -1.622) 4.962 4.892 ( 0.138 -0.999 1.216) 1.580 4.939 ( 3.698 -0.011 2.708) 4.583 4.980 ( 0.645 -4.553 -2.366) 5.171 5.042 ( 5.640 0.155 -3.033) 6.406 5.081 ( 4.568 -3.380 -0.697) 5.725 5.157 ( -0.680 1.244 0.872) 1.664 5.187 ( 0.497 -2.126 -1.014) 2.407 5.267 ( -2.396 0.307 -3.551) 4.295 5.281 ( -1.938 0.057 -0.621) 2.036 5.319 ( 0.750 1.531 3.265) 3.683 5.365 ( -0.298 -2.830 1.033) 3.027 5.535 ( 1.730 -0.826 5.532) 5.855 5.547 ( -0.366 -1.491 7.505) 7.660 5.682 ( 7.547 1.103 -0.942) 7.685 5.719 ( 7.432 -2.751 -2.787) 8.401 5.877 ( -1.247 6.598 0.226) 6.718 5.911 ( -5.827 1.321 -0.599) 6.005 5.962 ( 2.610 3.439 1.589) 4.601 6.020 ( -0.784 0.892 -2.290) 2.579 6.057 ( -2.092 -1.411 1.487) 2.929 6.109 ( 1.817 -8.537 -0.136) 8.730 6.271 ( -0.839 1.545 1.527) 2.328 6.281 ( 2.656 0.152 -0.880) 2.803 6.467 ( -1.531 4.528 2.844) 5.562 6.537 ( -5.383 -2.326 0.046) 5.864 6.600 ( 1.415 0.439 -2.714) 3.092 6.623 ( -2.114 -0.785 -1.944) 2.977 6.742 ( -0.816 0.725 -0.937) 1.439 6.797 ( -2.242 -3.643 2.393) 4.902 7.064 ( -0.871 3.522 -0.887) 3.735 7.124 ( 0.410 -2.775 -0.279) 2.819 7.342 ( -3.367 2.551 1.225) 4.398 7.394 ( -3.514 -2.654 1.867) 4.783 7.603 ( 1.497 8.984 1.630) 9.253 7.670 ( 2.072 2.397 -5.178) 6.071 7.728 ( 2.353 -2.112 -1.302) 3.419 7.792 ( 6.307 -4.237 3.812) 8.500 7.840 ( -0.003 0.322 -5.645) 5.655 7.961 ( 1.752 -4.629 -0.938) 5.038 8.008 ( 3.318 3.082 0.246) 4.535 8.052 ( 1.877 -1.330 1.566) 2.783 8.143 ( -2.177 3.678 -0.833) 4.355 8.231 ( -1.298 -3.859 -0.363) 4.088 8.452 ( 1.550 0.277 2.722) 3.144 8.471 ( 1.024 -1.920 0.900) 2.355 8.706 ( 6.580 4.709 3.244) 8.717 8.775 ( 5.604 -1.580 0.794) 5.876 8.980 ( -4.155 6.419 -3.929) 8.596 9.099 ( -0.458 -5.343 -4.164) 6.789 9.203 ( -4.029 4.602 1.530) 6.305 9.269 ( -0.454 -2.245 3.365) 4.070 9.637 ( -7.300 2.494 -1.373) 7.836 9.701 ( -5.692 -3.433 2.543) 7.117 9.809 ( -7.253 9.301 2.450) 12.046 9.958 ( -2.935 -3.098 0.735) 4.330 10.115 ( 3.342 3.280 -1.569) 4.938 10.203 ( 2.289 6.033 -1.500) 6.625 10.229 ( -0.431 -5.033 -1.720) 5.337 10.326 ( -3.114 6.231 -1.068) 7.048 10.362 ( 0.487 5.729 2.580) 6.302 10.466 ( 4.360 4.564 -6.657) 9.173 10.608 ( 3.155 -7.041 -1.154) 7.801 10.642 ( 0.580 -9.141 2.511) 9.497 10.812 ( -0.727 3.673 1.559) 4.056 10.829 ( -2.794 0.610 4.767) 5.559 10.968 ( -0.918 5.034 0.286) 5.125 11.045 ( -0.482 -2.427 -0.649) 2.558 11.175 ( -1.384 14.263 -0.431) 14.337 11.255 ( -2.192 10.216 -1.663) 10.580 11.418 ( -3.808 -2.514 1.813) 4.910 11.466 ( 5.393 -9.542 -0.784) 10.989 11.518 ( -1.442 -1.947 -2.861) 3.749 11.577 ( 2.273 -13.109 -0.774) 13.328 11.712 ( -1.025 -0.430 1.478) 1.850 11.823 ( 0.403 -10.642 -1.256) 10.723 12.697 ( -1.997 5.006 4.800) 7.218 12.787 ( -0.215 -3.464 4.065) 5.345 12.896 ( 3.672 3.051 -1.757) 5.087 12.944 ( 3.160 -1.343 -0.081) 3.435 13.098 ( 0.028 2.115 0.622) 2.205 13.131 ( 3.598 2.788 -2.976) 5.438 13.134 ( 1.828 -1.781 -0.055) 2.553 13.164 ( 3.155 -0.509 -1.986) 3.762 13.408 ( -3.434 3.562 -0.678) 4.994 13.434 ( -2.597 1.048 -0.874) 2.934 13.457 ( -2.383 3.476 -0.801) 4.290 13.482 ( -2.319 0.990 -0.266) 2.536 14.306 ( 0.621 0.208 0.728) 0.979 14.327 ( -0.255 -1.739 0.471) 1.819 14.354 ( 0.775 -0.676 -0.643) 1.212 14.369 ( 1.287 -1.978 -0.305) 2.379 14.840 ( 0.200 2.788 0.334) 2.815 14.897 ( 0.731 -3.035 -0.020) 3.122 15.002 ( 3.341 2.806 -0.438) 4.385 15.027 ( 1.876 0.831 0.931) 2.254 15.258 ( -4.227 3.475 0.495) 5.494 15.312 ( -2.265 2.652 -0.115) 3.490 15.402 ( -5.239 -9.714 2.524) 11.322 15.428 ( 0.659 -10.227 -3.167) 10.727 18.257 ( 2.555 1.502 0.481) 3.002 18.282 ( 2.267 -1.213 -0.084) 2.572 18.397 ( 2.224 3.627 2.272) 4.823 18.416 ( 3.061 1.564 -0.596) 3.489 18.534 ( 5.028 -0.607 -1.712) 5.346 18.551 ( 5.257 -1.617 0.601) 5.533 18.661 ( -4.301 2.249 -0.774) 4.915 18.678 ( -3.760 1.083 -0.139) 3.916 18.765 ( -2.004 1.257 -0.149) 2.370 18.784 ( -2.947 -1.106 -0.444) 3.179 19.008 ( -0.488 1.287 -0.200) 1.391 19.042 ( -0.645 -1.994 -0.053) 2.096 20.999 ( 0.407 0.516 2.014) 2.118 21.022 ( -0.310 -1.395 3.396) 3.684 21.520 ( 1.059 2.762 -2.413) 3.817 21.549 ( 1.367 -0.184 -2.490) 2.846 23.124 ( 7.248 0.524 -0.244) 7.271 23.146 ( 7.409 -1.752 0.298) 7.619 23.245 ( 1.784 1.569 -0.695) 2.476 23.272 ( -0.520 -0.940 1.141) 1.567 23.385 ( -3.538 1.891 0.911) 4.114 23.460 ( -6.389 1.806 -0.687) 6.675 23.482 ( -0.645 -5.935 -1.336) 6.117 23.530 ( -6.761 -3.450 1.261) 7.694 =================== 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 3/29160 10.0 498.842 610.433 574.794 0.000 27.318 0.000 3/29160 20.0 46.561 67.455 54.690 0.000 -2.363 0.000 3/29160 30.0 15.766 23.398 18.410 0.000 -1.136 0.000 3/29160 40.0 8.345 12.508 9.623 0.000 -0.667 0.000 3/29160 50.0 5.455 8.231 6.218 0.000 -0.453 0.000 3/29160 60.0 4.009 6.071 4.524 0.000 -0.336 0.000 3/29160 70.0 3.164 4.800 3.539 0.000 -0.264 0.000 3/29160 80.0 2.617 3.973 2.904 0.000 -0.216 0.000 3/29160 90.0 2.236 3.397 2.464 0.000 -0.182 0.000 3/29160 100.0 1.957 2.973 2.142 0.000 -0.157 0.000 3/29160 110.0 1.743 2.650 1.897 0.000 -0.138 0.000 3/29160 120.0 1.575 2.395 1.704 0.000 -0.123 0.000 3/29160 130.0 1.438 2.189 1.547 0.000 -0.111 0.000 3/29160 140.0 1.325 2.018 1.419 0.000 -0.101 0.000 3/29160 150.0 1.230 1.874 1.311 0.000 -0.093 0.000 3/29160 160.0 1.149 1.751 1.218 0.000 -0.086 0.000 3/29160 170.0 1.079 1.644 1.139 0.000 -0.080 0.000 3/29160 180.0 1.017 1.551 1.070 0.000 -0.075 0.000 3/29160 190.0 0.963 1.468 1.009 0.000 -0.071 0.000 3/29160 200.0 0.914 1.394 0.955 0.000 -0.067 0.000 3/29160 210.0 0.871 1.328 0.907 0.000 -0.063 0.000 3/29160 220.0 0.832 1.268 0.863 0.000 -0.060 0.000 3/29160 230.0 0.796 1.214 0.824 0.000 -0.057 0.000 3/29160 240.0 0.763 1.164 0.788 0.000 -0.055 0.000 3/29160 250.0 0.733 1.118 0.755 0.000 -0.053 0.000 3/29160 260.0 0.706 1.076 0.725 0.000 -0.050 0.000 3/29160 270.0 0.680 1.037 0.698 0.000 -0.049 0.000 3/29160 280.0 0.657 1.001 0.672 0.000 -0.047 0.000 3/29160 290.0 0.635 0.967 0.648 0.000 -0.045 0.000 3/29160 300.0 0.614 0.935 0.626 0.000 -0.044 0.000 3/29160 310.0 0.595 0.906 0.606 0.000 -0.042 0.000 3/29160 320.0 0.577 0.878 0.587 0.000 -0.041 0.000 3/29160 330.0 0.560 0.852 0.569 0.000 -0.039 0.000 3/29160 340.0 0.544 0.828 0.552 0.000 -0.038 0.000 3/29160 350.0 0.529 0.805 0.536 0.000 -0.037 0.000 3/29160 360.0 0.515 0.783 0.521 0.000 -0.036 0.000 3/29160 370.0 0.501 0.762 0.507 0.000 -0.035 0.000 3/29160 380.0 0.488 0.743 0.493 0.000 -0.034 0.000 3/29160 390.0 0.476 0.724 0.480 0.000 -0.033 0.000 3/29160 400.0 0.465 0.706 0.468 0.000 -0.032 0.000 3/29160 410.0 0.454 0.689 0.457 0.000 -0.032 0.000 3/29160 420.0 0.443 0.673 0.446 0.000 -0.031 0.000 3/29160 430.0 0.433 0.658 0.435 0.000 -0.030 0.000 3/29160 440.0 0.424 0.643 0.426 0.000 -0.030 0.000 3/29160 450.0 0.414 0.629 0.416 0.000 -0.029 0.000 3/29160 460.0 0.406 0.616 0.407 0.000 -0.028 0.000 3/29160 470.0 0.397 0.603 0.398 0.000 -0.028 0.000 3/29160 480.0 0.389 0.591 0.390 0.000 -0.027 0.000 3/29160 490.0 0.381 0.579 0.382 0.000 -0.027 0.000 3/29160 500.0 0.374 0.567 0.374 0.000 -0.026 0.000 3/29160 510.0 0.367 0.556 0.367 0.000 -0.025 0.000 3/29160 520.0 0.360 0.546 0.360 0.000 -0.025 0.000 3/29160 530.0 0.353 0.536 0.353 0.000 -0.025 0.000 3/29160 540.0 0.347 0.526 0.347 0.000 -0.024 0.000 3/29160 550.0 0.341 0.517 0.340 0.000 -0.024 0.000 3/29160 560.0 0.335 0.507 0.334 0.000 -0.023 0.000 3/29160 570.0 0.329 0.499 0.328 0.000 -0.023 0.000 3/29160 580.0 0.323 0.490 0.323 0.000 -0.022 0.000 3/29160 590.0 0.318 0.482 0.317 0.000 -0.022 0.000 3/29160 600.0 0.313 0.474 0.312 0.000 -0.022 0.000 3/29160 610.0 0.308 0.466 0.307 0.000 -0.021 0.000 3/29160 620.0 0.303 0.459 0.302 0.000 -0.021 0.000 3/29160 630.0 0.298 0.452 0.297 0.000 -0.021 0.000 3/29160 640.0 0.294 0.445 0.292 0.000 -0.020 0.000 3/29160 650.0 0.289 0.438 0.288 0.000 -0.020 0.000 3/29160 660.0 0.285 0.431 0.284 0.000 -0.020 0.000 3/29160 670.0 0.281 0.425 0.279 0.000 -0.019 0.000 3/29160 680.0 0.277 0.419 0.275 0.000 -0.019 0.000 3/29160 690.0 0.273 0.413 0.271 0.000 -0.019 0.000 3/29160 700.0 0.269 0.407 0.267 0.000 -0.019 0.000 3/29160 710.0 0.265 0.401 0.264 0.000 -0.018 0.000 3/29160 720.0 0.261 0.396 0.260 0.000 -0.018 0.000 3/29160 730.0 0.258 0.391 0.256 0.000 -0.018 0.000 3/29160 740.0 0.254 0.385 0.253 0.000 -0.018 0.000 3/29160 750.0 0.251 0.380 0.250 0.000 -0.017 0.000 3/29160 760.0 0.248 0.375 0.246 0.000 -0.017 0.000 3/29160 770.0 0.245 0.370 0.243 0.000 -0.017 0.000 3/29160 780.0 0.242 0.366 0.240 0.000 -0.017 0.000 3/29160 790.0 0.238 0.361 0.237 0.000 -0.016 0.000 3/29160 800.0 0.236 0.357 0.234 0.000 -0.016 0.000 3/29160 810.0 0.233 0.352 0.231 0.000 -0.016 0.000 3/29160 820.0 0.230 0.348 0.228 0.000 -0.016 0.000 3/29160 830.0 0.227 0.344 0.226 0.000 -0.016 0.000 3/29160 840.0 0.224 0.340 0.223 0.000 -0.015 0.000 3/29160 850.0 0.222 0.336 0.220 0.000 -0.015 0.000 3/29160 860.0 0.219 0.332 0.218 0.000 -0.015 0.000 3/29160 870.0 0.217 0.328 0.215 0.000 -0.015 0.000 3/29160 880.0 0.214 0.324 0.213 0.000 -0.015 0.000 3/29160 890.0 0.212 0.321 0.210 0.000 -0.015 0.000 3/29160 900.0 0.210 0.317 0.208 0.000 -0.014 0.000 3/29160 910.0 0.207 0.314 0.206 0.000 -0.014 0.000 3/29160 920.0 0.205 0.310 0.204 0.000 -0.014 0.000 3/29160 930.0 0.203 0.307 0.201 0.000 -0.014 0.000 3/29160 940.0 0.201 0.304 0.199 0.000 -0.014 0.000 3/29160 950.0 0.199 0.301 0.197 0.000 -0.014 0.000 3/29160 960.0 0.197 0.298 0.195 0.000 -0.014 0.000 3/29160 970.0 0.195 0.295 0.193 0.000 -0.013 0.000 3/29160 980.0 0.193 0.292 0.191 0.000 -0.013 0.000 3/29160 990.0 0.191 0.289 0.189 0.000 -0.013 0.000 3/29160 1000.0 0.189 0.286 0.187 0.000 -0.013 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m693.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:59:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|