----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:20:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.630009788016003 0.000000000000000 0.000000000000000 b -2.815004894008001 4.875731499976901 0.000000000000000 c 0.000000000000000 0.000000000000000 10.267339270000001 Atomic positions (fractional): *1 Li 0.05464035146367 0.37165572762486 0.07060170538492 6.941 2 Li 0.31701537616120 0.94535964853633 0.07060170538492 6.941 3 Li 0.62834427237514 0.68298462383880 0.07060170538492 6.941 4 Li 0.62834427237514 0.94535964853633 0.42939829461508 6.941 5 Li 0.05464035146367 0.68298462383880 0.42939829461508 6.941 6 Li 0.31701537616120 0.37165572762486 0.42939829461508 6.941 7 Li 0.94535964853633 0.62834427237514 0.92939829461508 6.941 8 Li 0.68298462383880 0.05464035146367 0.92939829461508 6.941 9 Li 0.37165572762486 0.31701537616120 0.92939829461508 6.941 10 Li 0.37165572762486 0.05464035146367 0.57060170538492 6.941 11 Li 0.94535964853633 0.31701537616120 0.57060170538492 6.941 12 Li 0.68298462383880 0.62834427237514 0.57060170538492 6.941 *13 O 0.95890538555202 0.29677474361229 0.37785639516161 15.999 14 O 0.33786935806027 0.04109461444797 0.37785639516161 15.999 15 O 0.70322525638771 0.66213064193973 0.37785639516161 15.999 16 O 0.70322525638771 0.04109461444797 0.12214360483839 15.999 17 O 0.95890538555202 0.66213064193973 0.12214360483839 15.999 18 O 0.33786935806027 0.29677474361229 0.12214360483839 15.999 19 O 0.04109461444797 0.70322525638771 0.62214360483839 15.999 20 O 0.66213064193973 0.95890538555202 0.62214360483839 15.999 21 O 0.29677474361229 0.33786935806027 0.62214360483839 15.999 22 O 0.29677474361229 0.95890538555202 0.87785639516161 15.999 23 O 0.04109461444797 0.33786935806027 0.87785639516161 15.999 24 O 0.66213064193973 0.70322525638771 0.87785639516161 15.999 *25 In 0.66666666666667 0.33333333333333 0.25000000000000 114.818 26 In 0.33333333333333 0.66666666666667 0.75000000000000 114.818 *27 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 28 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.630009788016003 0.000000000000000 0.000000000000000 b -2.815004894008001 4.875731499976901 0.000000000000000 c 0.000000000000000 0.000000000000000 10.267339270000001 Atomic positions (fractional): *1 Li 0.05464035146367 0.37165572762486 0.07060170538492 6.941 > 1 2 Li 0.31701537616120 0.94535964853633 0.07060170538492 6.941 > 2 3 Li 0.62834427237514 0.68298462383880 0.07060170538492 6.941 > 3 4 Li 0.62834427237514 0.94535964853633 0.42939829461508 6.941 > 4 5 Li 0.05464035146367 0.68298462383880 0.42939829461508 6.941 > 5 6 Li 0.31701537616120 0.37165572762486 0.42939829461508 6.941 > 6 7 Li 0.94535964853633 0.62834427237514 0.92939829461508 6.941 > 7 8 Li 0.68298462383880 0.05464035146367 0.92939829461508 6.941 > 8 9 Li 0.37165572762486 0.31701537616120 0.92939829461508 6.941 > 9 10 Li 0.37165572762486 0.05464035146367 0.57060170538492 6.941 > 10 11 Li 0.94535964853633 0.31701537616120 0.57060170538492 6.941 > 11 12 Li 0.68298462383880 0.62834427237514 0.57060170538492 6.941 > 12 *13 O 0.95890538555202 0.29677474361229 0.37785639516161 15.999 > 13 14 O 0.33786935806027 0.04109461444797 0.37785639516161 15.999 > 14 15 O 0.70322525638771 0.66213064193973 0.37785639516161 15.999 > 15 16 O 0.70322525638771 0.04109461444797 0.12214360483839 15.999 > 16 17 O 0.95890538555202 0.66213064193973 0.12214360483839 15.999 > 17 18 O 0.33786935806027 0.29677474361229 0.12214360483839 15.999 > 18 19 O 0.04109461444797 0.70322525638771 0.62214360483839 15.999 > 19 20 O 0.66213064193973 0.95890538555202 0.62214360483839 15.999 > 20 21 O 0.29677474361229 0.33786935806027 0.62214360483839 15.999 > 21 22 O 0.29677474361229 0.95890538555202 0.87785639516161 15.999 > 22 23 O 0.04109461444797 0.33786935806027 0.87785639516161 15.999 > 23 24 O 0.66213064193973 0.70322525638771 0.87785639516161 15.999 > 24 *25 In 0.66666666666667 0.33333333333333 0.25000000000000 114.818 > 25 26 In 0.33333333333333 0.66666666666667 0.75000000000000 114.818 > 26 *27 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 27 28 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.260019576032006 0.000000000000000 0.000000000000000 b -5.630009788016002 9.751462999953802 0.000000000000000 c 0.000000000000000 0.000000000000000 10.267339270000001 Atomic positions (fractional): *1 Li 0.02732017573183 0.18582786381243 0.07060170538492 6.941 > 1 2 Li 0.52732017573183 0.18582786381243 0.07060170538492 6.941 > 1 3 Li 0.02732017573183 0.68582786381243 0.07060170538492 6.941 > 1 4 Li 0.52732017573183 0.68582786381243 0.07060170538492 6.941 > 1 5 Li 0.15850768808060 0.47267982426817 0.07060170538492 6.941 > 2 6 Li 0.65850768808060 0.47267982426817 0.07060170538492 6.941 > 2 7 Li 0.15850768808060 0.97267982426817 0.07060170538492 6.941 > 2 8 Li 0.65850768808060 0.97267982426817 0.07060170538492 6.941 > 2 9 Li 0.31417213618757 0.34149231191940 0.07060170538492 6.941 > 3 10 Li 0.81417213618757 0.34149231191940 0.07060170538492 6.941 > 3 11 Li 0.31417213618757 0.84149231191940 0.07060170538492 6.941 > 3 12 Li 0.81417213618757 0.84149231191940 0.07060170538492 6.941 > 3 13 Li 0.31417213618757 0.47267982426817 0.42939829461508 6.941 > 4 14 Li 0.81417213618757 0.47267982426817 0.42939829461508 6.941 > 4 15 Li 0.31417213618757 0.97267982426817 0.42939829461508 6.941 > 4 16 Li 0.81417213618757 0.97267982426817 0.42939829461508 6.941 > 4 17 Li 0.02732017573183 0.34149231191940 0.42939829461508 6.941 > 5 18 Li 0.52732017573183 0.34149231191940 0.42939829461508 6.941 > 5 19 Li 0.02732017573183 0.84149231191940 0.42939829461508 6.941 > 5 20 Li 0.52732017573183 0.84149231191940 0.42939829461508 6.941 > 5 21 Li 0.15850768808060 0.18582786381243 0.42939829461508 6.941 > 6 22 Li 0.65850768808060 0.18582786381243 0.42939829461508 6.941 > 6 23 Li 0.15850768808060 0.68582786381243 0.42939829461508 6.941 > 6 24 Li 0.65850768808060 0.68582786381243 0.42939829461508 6.941 > 6 25 Li 0.47267982426817 0.31417213618757 0.92939829461508 6.941 > 7 26 Li 0.97267982426817 0.31417213618757 0.92939829461508 6.941 > 7 27 Li 0.47267982426817 0.81417213618757 0.92939829461508 6.941 > 7 28 Li 0.97267982426817 0.81417213618757 0.92939829461508 6.941 > 7 29 Li 0.34149231191940 0.02732017573183 0.92939829461508 6.941 > 8 30 Li 0.84149231191940 0.02732017573183 0.92939829461508 6.941 > 8 31 Li 0.34149231191940 0.52732017573183 0.92939829461508 6.941 > 8 32 Li 0.84149231191940 0.52732017573183 0.92939829461508 6.941 > 8 33 Li 0.18582786381243 0.15850768808060 0.92939829461508 6.941 > 9 34 Li 0.68582786381243 0.15850768808060 0.92939829461508 6.941 > 9 35 Li 0.18582786381243 0.65850768808060 0.92939829461508 6.941 > 9 36 Li 0.68582786381243 0.65850768808060 0.92939829461508 6.941 > 9 37 Li 0.18582786381243 0.02732017573183 0.57060170538492 6.941 > 10 38 Li 0.68582786381243 0.02732017573183 0.57060170538492 6.941 > 10 39 Li 0.18582786381243 0.52732017573183 0.57060170538492 6.941 > 10 40 Li 0.68582786381243 0.52732017573183 0.57060170538492 6.941 > 10 41 Li 0.47267982426817 0.15850768808060 0.57060170538492 6.941 > 11 42 Li 0.97267982426817 0.15850768808060 0.57060170538492 6.941 > 11 43 Li 0.47267982426817 0.65850768808060 0.57060170538492 6.941 > 11 44 Li 0.97267982426817 0.65850768808060 0.57060170538492 6.941 > 11 45 Li 0.34149231191940 0.31417213618757 0.57060170538492 6.941 > 12 46 Li 0.84149231191940 0.31417213618757 0.57060170538492 6.941 > 12 47 Li 0.34149231191940 0.81417213618757 0.57060170538492 6.941 > 12 48 Li 0.84149231191940 0.81417213618757 0.57060170538492 6.941 > 12 *49 O 0.47945269277601 0.14838737180615 0.37785639516161 15.999 > 13 50 O 0.97945269277601 0.14838737180615 0.37785639516161 15.999 > 13 51 O 0.47945269277601 0.64838737180615 0.37785639516161 15.999 > 13 52 O 0.97945269277601 0.64838737180615 0.37785639516161 15.999 > 13 53 O 0.16893467903013 0.02054730722399 0.37785639516161 15.999 > 14 54 O 0.66893467903013 0.02054730722399 0.37785639516161 15.999 > 14 55 O 0.16893467903013 0.52054730722399 0.37785639516161 15.999 > 14 56 O 0.66893467903013 0.52054730722399 0.37785639516161 15.999 > 14 57 O 0.35161262819385 0.33106532096987 0.37785639516161 15.999 > 15 58 O 0.85161262819385 0.33106532096987 0.37785639516161 15.999 > 15 59 O 0.35161262819385 0.83106532096987 0.37785639516161 15.999 > 15 60 O 0.85161262819385 0.83106532096987 0.37785639516161 15.999 > 15 61 O 0.35161262819385 0.02054730722399 0.12214360483839 15.999 > 16 62 O 0.85161262819385 0.02054730722399 0.12214360483839 15.999 > 16 63 O 0.35161262819385 0.52054730722399 0.12214360483839 15.999 > 16 64 O 0.85161262819385 0.52054730722399 0.12214360483839 15.999 > 16 65 O 0.47945269277601 0.33106532096987 0.12214360483839 15.999 > 17 66 O 0.97945269277601 0.33106532096987 0.12214360483839 15.999 > 17 67 O 0.47945269277601 0.83106532096987 0.12214360483839 15.999 > 17 68 O 0.97945269277601 0.83106532096987 0.12214360483839 15.999 > 17 69 O 0.16893467903013 0.14838737180615 0.12214360483839 15.999 > 18 70 O 0.66893467903013 0.14838737180615 0.12214360483839 15.999 > 18 71 O 0.16893467903013 0.64838737180615 0.12214360483839 15.999 > 18 72 O 0.66893467903013 0.64838737180615 0.12214360483839 15.999 > 18 73 O 0.02054730722399 0.35161262819385 0.62214360483839 15.999 > 19 74 O 0.52054730722399 0.35161262819385 0.62214360483839 15.999 > 19 75 O 0.02054730722399 0.85161262819385 0.62214360483839 15.999 > 19 76 O 0.52054730722399 0.85161262819385 0.62214360483839 15.999 > 19 77 O 0.33106532096987 0.47945269277601 0.62214360483839 15.999 > 20 78 O 0.83106532096987 0.47945269277601 0.62214360483839 15.999 > 20 79 O 0.33106532096987 0.97945269277601 0.62214360483839 15.999 > 20 80 O 0.83106532096987 0.97945269277601 0.62214360483839 15.999 > 20 81 O 0.14838737180615 0.16893467903013 0.62214360483839 15.999 > 21 82 O 0.64838737180615 0.16893467903013 0.62214360483839 15.999 > 21 83 O 0.14838737180615 0.66893467903013 0.62214360483839 15.999 > 21 84 O 0.64838737180615 0.66893467903013 0.62214360483839 15.999 > 21 85 O 0.14838737180615 0.47945269277601 0.87785639516161 15.999 > 22 86 O 0.64838737180615 0.47945269277601 0.87785639516161 15.999 > 22 87 O 0.14838737180615 0.97945269277601 0.87785639516161 15.999 > 22 88 O 0.64838737180615 0.97945269277601 0.87785639516161 15.999 > 22 89 O 0.02054730722399 0.16893467903013 0.87785639516161 15.999 > 23 90 O 0.52054730722399 0.16893467903013 0.87785639516161 15.999 > 23 91 O 0.02054730722399 0.66893467903013 0.87785639516161 15.999 > 23 92 O 0.52054730722399 0.66893467903013 0.87785639516161 15.999 > 23 93 O 0.33106532096987 0.35161262819385 0.87785639516161 15.999 > 24 94 O 0.83106532096987 0.35161262819385 0.87785639516161 15.999 > 24 95 O 0.33106532096987 0.85161262819385 0.87785639516161 15.999 > 24 96 O 0.83106532096987 0.85161262819385 0.87785639516161 15.999 > 24 *97 In 0.33333333333333 0.16666666666667 0.25000000000000 114.818 > 25 98 In 0.83333333333333 0.16666666666667 0.25000000000000 114.818 > 25 99 In 0.33333333333333 0.66666666666667 0.25000000000000 114.818 > 25 100 In 0.83333333333333 0.66666666666667 0.25000000000000 114.818 > 25 101 In 0.16666666666667 0.33333333333333 0.75000000000000 114.818 > 26 102 In 0.66666666666667 0.33333333333333 0.75000000000000 114.818 > 26 103 In 0.16666666666667 0.83333333333333 0.75000000000000 114.818 > 26 104 In 0.66666666666667 0.83333333333333 0.75000000000000 114.818 > 26 *105 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 27 106 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 27 107 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 27 108 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 27 109 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 28 110 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 28 111 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 28 112 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6134688 -0.0000000 0.0000000 0.0000000 3.6134688 0.0000000 0.0000000 0.0000000 3.5626222 -------------------------- Born effective charges -------------------------- 1 Li 0.9980834 -0.1043423 -0.0942692 -0.1091072 0.8919597 -0.0390300 -0.0501111 -0.0393736 1.1011827 2 Li 1.0109170 0.1016978 0.0133336 0.0969329 0.8791261 0.1011545 -0.0090430 0.0630843 1.1011827 3 Li 0.8260642 0.0097919 0.0809356 0.0050270 1.0639788 -0.0621245 0.0591541 -0.0237106 1.1011827 4 Li 1.0109170 -0.1016978 0.0133336 -0.0969329 0.8791261 -0.1011545 -0.0090430 -0.0630843 1.1011827 5 Li 0.8260642 -0.0097919 0.0809356 -0.0050270 1.0639788 0.0621245 0.0591541 0.0237106 1.1011827 6 Li 0.9980834 0.1043423 -0.0942692 0.1091072 0.8919597 0.0390300 -0.0501111 0.0393736 1.1011827 7 Li 0.9980834 -0.1043423 -0.0942692 -0.1091072 0.8919597 -0.0390300 -0.0501111 -0.0393736 1.1011827 8 Li 1.0109170 0.1016978 0.0133336 0.0969329 0.8791261 0.1011545 -0.0090430 0.0630843 1.1011827 9 Li 0.8260642 0.0097919 0.0809356 0.0050270 1.0639788 -0.0621245 0.0591541 -0.0237106 1.1011827 10 Li 1.0109170 -0.1016978 0.0133336 -0.0969329 0.8791261 -0.1011545 -0.0090430 -0.0630843 1.1011827 11 Li 0.8260642 -0.0097919 0.0809356 -0.0050270 1.0639788 0.0621245 0.0591541 0.0237106 1.1011827 12 Li 0.9980834 0.1043423 -0.0942692 0.1091072 0.8919597 0.0390300 -0.0501111 0.0393736 1.1011827 13 O -2.1073706 0.2606050 -0.0606010 0.2649769 -1.8648266 -0.2123047 -0.1120577 -0.2511533 -1.9605949 14 O -2.1530462 -0.2386061 -0.1535608 -0.2342342 -1.8191510 0.1586343 -0.1614763 0.2226215 -1.9605949 15 O -1.6978789 -0.0285568 0.2141618 -0.0241849 -2.2743183 0.0536704 0.2735340 0.0285318 -1.9605949 16 O -2.1530462 0.2386061 -0.1535608 0.2342342 -1.8191510 -0.1586343 -0.1614763 -0.2226215 -1.9605949 17 O -1.6978789 0.0285568 0.2141618 0.0241849 -2.2743183 -0.0536704 0.2735340 -0.0285318 -1.9605949 18 O -2.1073706 -0.2606050 -0.0606010 -0.2649769 -1.8648266 0.2123047 -0.1120577 0.2511533 -1.9605949 19 O -2.1073706 0.2606050 -0.0606010 0.2649769 -1.8648266 -0.2123047 -0.1120577 -0.2511533 -1.9605949 20 O -2.1530462 -0.2386061 -0.1535608 -0.2342342 -1.8191510 0.1586343 -0.1614763 0.2226215 -1.9605949 21 O -1.6978789 -0.0285568 0.2141618 -0.0241849 -2.2743183 0.0536704 0.2735340 0.0285318 -1.9605949 22 O -2.1530462 0.2386061 -0.1535608 0.2342342 -1.8191510 -0.1586343 -0.1614763 -0.2226215 -1.9605949 23 O -1.6978789 0.0285568 0.2141618 0.0241849 -2.2743183 -0.0536704 0.2735340 -0.0285318 -1.9605949 24 O -2.1073706 -0.2606050 -0.0606010 -0.2649769 -1.8648266 0.2123047 -0.1120577 0.2511533 -1.9605949 25 In 3.0947060 -0.0000000 0.0000000 0.0000000 3.0947060 0.0000000 0.0000000 0.0000000 2.5286632 26 In 3.0947060 -0.0000000 0.0000000 0.0000000 3.0947060 0.0000000 0.0000000 0.0000000 2.5286632 27 In 3.1517563 -0.0000000 0.0000000 0.0000000 3.1517563 0.0000000 0.0000000 0.0000000 2.6278100 28 In 3.1517563 -0.0000000 0.0000000 0.0000000 3.1517563 0.0000000 0.0000000 0.0000000 2.6278100 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1250 Number of blocks in projector: 600 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 242 eigenvectors found. (2) Block: 500 / 570 (2) 240 eigenvectors found. (2) Block: 570 / 570 (2) 64 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 242 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 160 Use standard eigh solver. Tree of FC basis block matrices: - (1250, 1228), data: False |-- (160, 156), data: True |-- (520, 512), data: False |-- (520, 512), data: False |-- (520, 8), data: (520, 16) @ (16, 8) |-- (270, 262), data: True |-- (250, 242), data: True |-- (570, 560), data: False |-- (570, 560), data: False |-- (570, 14), data: (570, 24) @ (24, 14) |-- (70, 64), data: True |-- (250, 240), data: True |-- (250, 242), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.006 Solver_block: 100 / 320 - Time: 1.558 Solver_block: 200 / 320 - Time: 1.569 Solver_block: 300 / 320 - Time: 1.575 Solver_block: 320 / 320 - Time: 0.395 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.128 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1250 Number of blocks in projector: 600 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 3 --- Eigsh_solver_block: 1 / 3 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 242 eigenvectors found. (2) Block: 500 / 570 (2) 240 eigenvectors found. (2) Block: 570 / 570 (2) 64 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 9 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 3 --- Block_size: 520 Use submatrix version of eigh solver. (1) Block: 520 / 520 (2) Block: 250 / 520 (2) 242 eigenvectors found. (2) Block: 520 / 520 (2) 262 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 512 eigenvectors found. (1) Complementary block size: 8 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 3 --- Block_size: 160 Use standard eigh solver. Tree of FC basis block matrices: - (1250, 1228), data: False |-- (160, 156), data: True |-- (520, 512), data: False |-- (520, 512), data: False |-- (520, 8), data: (520, 16) @ (16, 8) |-- (270, 262), data: True |-- (250, 242), data: True |-- (570, 560), data: False |-- (570, 560), data: False |-- (570, 14), data: (570, 24) @ (24, 14) |-- (70, 64), data: True |-- (250, 240), data: True |-- (250, 242), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:20:23]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:20:24]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.630009788016003 0.000000000000000 0.000000000000000 b -2.815004894008001 4.875731499976901 0.000000000000000 c 0.000000000000000 0.000000000000000 10.267339270000001 Atomic positions (fractional): 1 Li 0.05464035146367 0.37165572762486 0.07060170538492 6.941 2 Li 0.31701537616120 0.94535964853633 0.07060170538492 6.941 3 Li 0.62834427237514 0.68298462383880 0.07060170538492 6.941 4 Li 0.62834427237514 0.94535964853633 0.42939829461508 6.941 5 Li 0.05464035146367 0.68298462383880 0.42939829461508 6.941 6 Li 0.31701537616120 0.37165572762486 0.42939829461508 6.941 7 Li 0.94535964853633 0.62834427237514 0.92939829461508 6.941 8 Li 0.68298462383880 0.05464035146367 0.92939829461508 6.941 9 Li 0.37165572762486 0.31701537616120 0.92939829461508 6.941 10 Li 0.37165572762486 0.05464035146367 0.57060170538492 6.941 11 Li 0.94535964853633 0.31701537616120 0.57060170538492 6.941 12 Li 0.68298462383880 0.62834427237514 0.57060170538492 6.941 13 O 0.95890538555202 0.29677474361229 0.37785639516161 15.999 14 O 0.33786935806027 0.04109461444797 0.37785639516161 15.999 15 O 0.70322525638771 0.66213064193973 0.37785639516161 15.999 16 O 0.70322525638771 0.04109461444797 0.12214360483839 15.999 17 O 0.95890538555202 0.66213064193973 0.12214360483839 15.999 18 O 0.33786935806027 0.29677474361229 0.12214360483839 15.999 19 O 0.04109461444797 0.70322525638771 0.62214360483839 15.999 20 O 0.66213064193973 0.95890538555202 0.62214360483839 15.999 21 O 0.29677474361229 0.33786935806027 0.62214360483839 15.999 22 O 0.29677474361229 0.95890538555202 0.87785639516161 15.999 23 O 0.04109461444797 0.33786935806027 0.87785639516161 15.999 24 O 0.66213064193973 0.70322525638771 0.87785639516161 15.999 25 In 0.66666666666667 0.33333333333333 0.25000000000000 114.818 26 In 0.33333333333333 0.66666666666667 0.75000000000000 114.818 27 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 28 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.260019576032006 0.000000000000000 0.000000000000000 b -5.630009788016002 9.751462999953802 0.000000000000000 c 0.000000000000000 0.000000000000000 10.267339270000001 Atomic positions (fractional): 1 Li 0.02732017573183 0.18582786381243 0.07060170538492 6.941 > 1 2 Li 0.52732017573183 0.18582786381243 0.07060170538492 6.941 > 1 3 Li 0.02732017573183 0.68582786381243 0.07060170538492 6.941 > 1 4 Li 0.52732017573183 0.68582786381243 0.07060170538492 6.941 > 1 5 Li 0.15850768808060 0.47267982426817 0.07060170538492 6.941 > 5 6 Li 0.65850768808060 0.47267982426817 0.07060170538492 6.941 > 5 7 Li 0.15850768808060 0.97267982426817 0.07060170538492 6.941 > 5 8 Li 0.65850768808060 0.97267982426817 0.07060170538492 6.941 > 5 9 Li 0.31417213618757 0.34149231191940 0.07060170538492 6.941 > 9 10 Li 0.81417213618757 0.34149231191940 0.07060170538492 6.941 > 9 11 Li 0.31417213618757 0.84149231191940 0.07060170538492 6.941 > 9 12 Li 0.81417213618757 0.84149231191940 0.07060170538492 6.941 > 9 13 Li 0.31417213618757 0.47267982426817 0.42939829461508 6.941 > 13 14 Li 0.81417213618757 0.47267982426817 0.42939829461508 6.941 > 13 15 Li 0.31417213618757 0.97267982426817 0.42939829461508 6.941 > 13 16 Li 0.81417213618757 0.97267982426817 0.42939829461508 6.941 > 13 17 Li 0.02732017573183 0.34149231191940 0.42939829461508 6.941 > 17 18 Li 0.52732017573183 0.34149231191940 0.42939829461508 6.941 > 17 19 Li 0.02732017573183 0.84149231191940 0.42939829461508 6.941 > 17 20 Li 0.52732017573183 0.84149231191940 0.42939829461508 6.941 > 17 21 Li 0.15850768808060 0.18582786381243 0.42939829461508 6.941 > 21 22 Li 0.65850768808060 0.18582786381243 0.42939829461508 6.941 > 21 23 Li 0.15850768808060 0.68582786381243 0.42939829461508 6.941 > 21 24 Li 0.65850768808060 0.68582786381243 0.42939829461508 6.941 > 21 25 Li 0.47267982426817 0.31417213618757 0.92939829461508 6.941 > 25 26 Li 0.97267982426817 0.31417213618757 0.92939829461508 6.941 > 25 27 Li 0.47267982426817 0.81417213618757 0.92939829461508 6.941 > 25 28 Li 0.97267982426817 0.81417213618757 0.92939829461508 6.941 > 25 29 Li 0.34149231191940 0.02732017573183 0.92939829461508 6.941 > 29 30 Li 0.84149231191940 0.02732017573183 0.92939829461508 6.941 > 29 31 Li 0.34149231191940 0.52732017573183 0.92939829461508 6.941 > 29 32 Li 0.84149231191940 0.52732017573183 0.92939829461508 6.941 > 29 33 Li 0.18582786381243 0.15850768808060 0.92939829461508 6.941 > 33 34 Li 0.68582786381243 0.15850768808060 0.92939829461508 6.941 > 33 35 Li 0.18582786381243 0.65850768808060 0.92939829461508 6.941 > 33 36 Li 0.68582786381243 0.65850768808060 0.92939829461508 6.941 > 33 37 Li 0.18582786381243 0.02732017573183 0.57060170538492 6.941 > 37 38 Li 0.68582786381243 0.02732017573183 0.57060170538492 6.941 > 37 39 Li 0.18582786381243 0.52732017573183 0.57060170538492 6.941 > 37 40 Li 0.68582786381243 0.52732017573183 0.57060170538492 6.941 > 37 41 Li 0.47267982426817 0.15850768808060 0.57060170538492 6.941 > 41 42 Li 0.97267982426817 0.15850768808060 0.57060170538492 6.941 > 41 43 Li 0.47267982426817 0.65850768808060 0.57060170538492 6.941 > 41 44 Li 0.97267982426817 0.65850768808060 0.57060170538492 6.941 > 41 45 Li 0.34149231191940 0.31417213618757 0.57060170538492 6.941 > 45 46 Li 0.84149231191940 0.31417213618757 0.57060170538492 6.941 > 45 47 Li 0.34149231191940 0.81417213618757 0.57060170538492 6.941 > 45 48 Li 0.84149231191940 0.81417213618757 0.57060170538492 6.941 > 45 49 O 0.47945269277601 0.14838737180615 0.37785639516161 15.999 > 49 50 O 0.97945269277601 0.14838737180615 0.37785639516161 15.999 > 49 51 O 0.47945269277601 0.64838737180615 0.37785639516161 15.999 > 49 52 O 0.97945269277601 0.64838737180615 0.37785639516161 15.999 > 49 53 O 0.16893467903013 0.02054730722399 0.37785639516161 15.999 > 53 54 O 0.66893467903013 0.02054730722399 0.37785639516161 15.999 > 53 55 O 0.16893467903013 0.52054730722399 0.37785639516161 15.999 > 53 56 O 0.66893467903013 0.52054730722399 0.37785639516161 15.999 > 53 57 O 0.35161262819385 0.33106532096987 0.37785639516161 15.999 > 57 58 O 0.85161262819385 0.33106532096987 0.37785639516161 15.999 > 57 59 O 0.35161262819385 0.83106532096987 0.37785639516161 15.999 > 57 60 O 0.85161262819385 0.83106532096987 0.37785639516161 15.999 > 57 61 O 0.35161262819385 0.02054730722399 0.12214360483839 15.999 > 61 62 O 0.85161262819385 0.02054730722399 0.12214360483839 15.999 > 61 63 O 0.35161262819385 0.52054730722399 0.12214360483839 15.999 > 61 64 O 0.85161262819385 0.52054730722399 0.12214360483839 15.999 > 61 65 O 0.47945269277601 0.33106532096987 0.12214360483839 15.999 > 65 66 O 0.97945269277601 0.33106532096987 0.12214360483839 15.999 > 65 67 O 0.47945269277601 0.83106532096987 0.12214360483839 15.999 > 65 68 O 0.97945269277601 0.83106532096987 0.12214360483839 15.999 > 65 69 O 0.16893467903013 0.14838737180615 0.12214360483839 15.999 > 69 70 O 0.66893467903013 0.14838737180615 0.12214360483839 15.999 > 69 71 O 0.16893467903013 0.64838737180615 0.12214360483839 15.999 > 69 72 O 0.66893467903013 0.64838737180615 0.12214360483839 15.999 > 69 73 O 0.02054730722399 0.35161262819385 0.62214360483839 15.999 > 73 74 O 0.52054730722399 0.35161262819385 0.62214360483839 15.999 > 73 75 O 0.02054730722399 0.85161262819385 0.62214360483839 15.999 > 73 76 O 0.52054730722399 0.85161262819385 0.62214360483839 15.999 > 73 77 O 0.33106532096987 0.47945269277601 0.62214360483839 15.999 > 77 78 O 0.83106532096987 0.47945269277601 0.62214360483839 15.999 > 77 79 O 0.33106532096987 0.97945269277601 0.62214360483839 15.999 > 77 80 O 0.83106532096987 0.97945269277601 0.62214360483839 15.999 > 77 81 O 0.14838737180615 0.16893467903013 0.62214360483839 15.999 > 81 82 O 0.64838737180615 0.16893467903013 0.62214360483839 15.999 > 81 83 O 0.14838737180615 0.66893467903013 0.62214360483839 15.999 > 81 84 O 0.64838737180615 0.66893467903013 0.62214360483839 15.999 > 81 85 O 0.14838737180615 0.47945269277601 0.87785639516161 15.999 > 85 86 O 0.64838737180615 0.47945269277601 0.87785639516161 15.999 > 85 87 O 0.14838737180615 0.97945269277601 0.87785639516161 15.999 > 85 88 O 0.64838737180615 0.97945269277601 0.87785639516161 15.999 > 85 89 O 0.02054730722399 0.16893467903013 0.87785639516161 15.999 > 89 90 O 0.52054730722399 0.16893467903013 0.87785639516161 15.999 > 89 91 O 0.02054730722399 0.66893467903013 0.87785639516161 15.999 > 89 92 O 0.52054730722399 0.66893467903013 0.87785639516161 15.999 > 89 93 O 0.33106532096987 0.35161262819385 0.87785639516161 15.999 > 93 94 O 0.83106532096987 0.35161262819385 0.87785639516161 15.999 > 93 95 O 0.33106532096987 0.85161262819385 0.87785639516161 15.999 > 93 96 O 0.83106532096987 0.85161262819385 0.87785639516161 15.999 > 93 97 In 0.33333333333333 0.16666666666667 0.25000000000000 114.818 > 97 98 In 0.83333333333333 0.16666666666667 0.25000000000000 114.818 > 97 99 In 0.33333333333333 0.66666666666667 0.25000000000000 114.818 > 97 100 In 0.83333333333333 0.66666666666667 0.25000000000000 114.818 > 97 101 In 0.16666666666667 0.33333333333333 0.75000000000000 114.818 > 101 102 In 0.66666666666667 0.33333333333333 0.75000000000000 114.818 > 101 103 In 0.16666666666667 0.83333333333333 0.75000000000000 114.818 > 101 104 In 0.66666666666667 0.83333333333333 0.75000000000000 114.818 > 101 105 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 105 106 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 105 107 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 105 108 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 105 109 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 109 110 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 109 111 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 109 112 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.6134688 -0.0000000 0.0000000 0.0000000 3.6134688 0.0000000 0.0000000 0.0000000 3.5626222 -------------------------- Born effective charges -------------------------- 1 Li 0.9980834 -0.1043423 -0.0942692 -0.1091072 0.8919597 -0.0390300 -0.0501111 -0.0393736 1.1011827 2 Li 1.0109170 0.1016978 0.0133336 0.0969329 0.8791261 0.1011545 -0.0090430 0.0630843 1.1011827 3 Li 0.8260642 0.0097919 0.0809356 0.0050270 1.0639788 -0.0621245 0.0591541 -0.0237106 1.1011827 4 Li 1.0109170 -0.1016978 0.0133336 -0.0969329 0.8791261 -0.1011545 -0.0090430 -0.0630843 1.1011827 5 Li 0.8260642 -0.0097919 0.0809356 -0.0050270 1.0639788 0.0621245 0.0591541 0.0237106 1.1011827 6 Li 0.9980834 0.1043423 -0.0942692 0.1091072 0.8919597 0.0390300 -0.0501111 0.0393736 1.1011827 7 Li 0.9980834 -0.1043423 -0.0942692 -0.1091072 0.8919597 -0.0390300 -0.0501111 -0.0393736 1.1011827 8 Li 1.0109170 0.1016978 0.0133336 0.0969329 0.8791261 0.1011545 -0.0090430 0.0630843 1.1011827 9 Li 0.8260642 0.0097919 0.0809356 0.0050270 1.0639788 -0.0621245 0.0591541 -0.0237106 1.1011827 10 Li 1.0109170 -0.1016978 0.0133336 -0.0969329 0.8791261 -0.1011545 -0.0090430 -0.0630843 1.1011827 11 Li 0.8260642 -0.0097919 0.0809356 -0.0050270 1.0639788 0.0621245 0.0591541 0.0237106 1.1011827 12 Li 0.9980834 0.1043423 -0.0942692 0.1091072 0.8919597 0.0390300 -0.0501111 0.0393736 1.1011827 13 O -2.1073706 0.2606050 -0.0606010 0.2649769 -1.8648266 -0.2123047 -0.1120577 -0.2511533 -1.9605949 14 O -2.1530462 -0.2386061 -0.1535608 -0.2342342 -1.8191510 0.1586343 -0.1614763 0.2226215 -1.9605949 15 O -1.6978789 -0.0285568 0.2141618 -0.0241849 -2.2743183 0.0536704 0.2735340 0.0285318 -1.9605949 16 O -2.1530462 0.2386061 -0.1535608 0.2342342 -1.8191510 -0.1586343 -0.1614763 -0.2226215 -1.9605949 17 O -1.6978789 0.0285568 0.2141618 0.0241849 -2.2743183 -0.0536704 0.2735340 -0.0285318 -1.9605949 18 O -2.1073706 -0.2606050 -0.0606010 -0.2649769 -1.8648266 0.2123047 -0.1120577 0.2511533 -1.9605949 19 O -2.1073706 0.2606050 -0.0606010 0.2649769 -1.8648266 -0.2123047 -0.1120577 -0.2511533 -1.9605949 20 O -2.1530462 -0.2386061 -0.1535608 -0.2342342 -1.8191510 0.1586343 -0.1614763 0.2226215 -1.9605949 21 O -1.6978789 -0.0285568 0.2141618 -0.0241849 -2.2743183 0.0536704 0.2735340 0.0285318 -1.9605949 22 O -2.1530462 0.2386061 -0.1535608 0.2342342 -1.8191510 -0.1586343 -0.1614763 -0.2226215 -1.9605949 23 O -1.6978789 0.0285568 0.2141618 0.0241849 -2.2743183 -0.0536704 0.2735340 -0.0285318 -1.9605949 24 O -2.1073706 -0.2606050 -0.0606010 -0.2649769 -1.8648266 0.2123047 -0.1120577 0.2511533 -1.9605949 25 In 3.0947060 -0.0000000 0.0000000 0.0000000 3.0947060 0.0000000 0.0000000 0.0000000 2.5286632 26 In 3.0947060 -0.0000000 0.0000000 0.0000000 3.0947060 0.0000000 0.0000000 0.0000000 2.5286632 27 In 3.1517563 -0.0000000 0.0000000 0.0000000 3.1517563 0.0000000 0.0000000 0.0000000 2.6278100 28 In 3.1517563 -0.0000000 0.0000000 0.0000000 3.1517563 0.0000000 0.0000000 0.0000000 2.6278100 ---------------------------------------------------------------------------- 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] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [-0.0050 0.0087 0.0000] [ 0.0050 -0.0087 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (zx) -0.00000002 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:20:41]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:20:41]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P-31c (163) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.630009788016003 0.000000000000000 0.000000000000000 b -2.815004894008001 4.875731499976901 0.000000000000000 c 0.000000000000000 0.000000000000000 10.267339270000001 Atomic positions (fractional): 1 Li 0.05464035146367 0.37165572762486 0.07060170538492 6.941 2 Li 0.31701537616120 0.94535964853633 0.07060170538492 6.941 3 Li 0.62834427237514 0.68298462383880 0.07060170538492 6.941 4 Li 0.62834427237514 0.94535964853633 0.42939829461508 6.941 5 Li 0.05464035146367 0.68298462383880 0.42939829461508 6.941 6 Li 0.31701537616120 0.37165572762486 0.42939829461508 6.941 7 Li 0.94535964853633 0.62834427237514 0.92939829461508 6.941 8 Li 0.68298462383880 0.05464035146367 0.92939829461508 6.941 9 Li 0.37165572762486 0.31701537616120 0.92939829461508 6.941 10 Li 0.37165572762486 0.05464035146367 0.57060170538492 6.941 11 Li 0.94535964853633 0.31701537616120 0.57060170538492 6.941 12 Li 0.68298462383880 0.62834427237514 0.57060170538492 6.941 13 O 0.95890538555202 0.29677474361229 0.37785639516161 15.999 14 O 0.33786935806027 0.04109461444797 0.37785639516161 15.999 15 O 0.70322525638771 0.66213064193973 0.37785639516161 15.999 16 O 0.70322525638771 0.04109461444797 0.12214360483839 15.999 17 O 0.95890538555202 0.66213064193973 0.12214360483839 15.999 18 O 0.33786935806027 0.29677474361229 0.12214360483839 15.999 19 O 0.04109461444797 0.70322525638771 0.62214360483839 15.999 20 O 0.66213064193973 0.95890538555202 0.62214360483839 15.999 21 O 0.29677474361229 0.33786935806027 0.62214360483839 15.999 22 O 0.29677474361229 0.95890538555202 0.87785639516161 15.999 23 O 0.04109461444797 0.33786935806027 0.87785639516161 15.999 24 O 0.66213064193973 0.70322525638771 0.87785639516161 15.999 25 In 0.66666666666667 0.33333333333333 0.25000000000000 114.818 26 In 0.33333333333333 0.66666666666667 0.75000000000000 114.818 27 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 28 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.260019576032006 0.000000000000000 0.000000000000000 b -5.630009788016002 9.751462999953802 0.000000000000000 c 0.000000000000000 0.000000000000000 10.267339270000001 Atomic positions (fractional): 1 Li 0.02732017573183 0.18582786381243 0.07060170538492 6.941 > 1 2 Li 0.52732017573183 0.18582786381243 0.07060170538492 6.941 > 1 3 Li 0.02732017573183 0.68582786381243 0.07060170538492 6.941 > 1 4 Li 0.52732017573183 0.68582786381243 0.07060170538492 6.941 > 1 5 Li 0.15850768808060 0.47267982426817 0.07060170538492 6.941 > 5 6 Li 0.65850768808060 0.47267982426817 0.07060170538492 6.941 > 5 7 Li 0.15850768808060 0.97267982426817 0.07060170538492 6.941 > 5 8 Li 0.65850768808060 0.97267982426817 0.07060170538492 6.941 > 5 9 Li 0.31417213618757 0.34149231191940 0.07060170538492 6.941 > 9 10 Li 0.81417213618757 0.34149231191940 0.07060170538492 6.941 > 9 11 Li 0.31417213618757 0.84149231191940 0.07060170538492 6.941 > 9 12 Li 0.81417213618757 0.84149231191940 0.07060170538492 6.941 > 9 13 Li 0.31417213618757 0.47267982426817 0.42939829461508 6.941 > 13 14 Li 0.81417213618757 0.47267982426817 0.42939829461508 6.941 > 13 15 Li 0.31417213618757 0.97267982426817 0.42939829461508 6.941 > 13 16 Li 0.81417213618757 0.97267982426817 0.42939829461508 6.941 > 13 17 Li 0.02732017573183 0.34149231191940 0.42939829461508 6.941 > 17 18 Li 0.52732017573183 0.34149231191940 0.42939829461508 6.941 > 17 19 Li 0.02732017573183 0.84149231191940 0.42939829461508 6.941 > 17 20 Li 0.52732017573183 0.84149231191940 0.42939829461508 6.941 > 17 21 Li 0.15850768808060 0.18582786381243 0.42939829461508 6.941 > 21 22 Li 0.65850768808060 0.18582786381243 0.42939829461508 6.941 > 21 23 Li 0.15850768808060 0.68582786381243 0.42939829461508 6.941 > 21 24 Li 0.65850768808060 0.68582786381243 0.42939829461508 6.941 > 21 25 Li 0.47267982426817 0.31417213618757 0.92939829461508 6.941 > 25 26 Li 0.97267982426817 0.31417213618757 0.92939829461508 6.941 > 25 27 Li 0.47267982426817 0.81417213618757 0.92939829461508 6.941 > 25 28 Li 0.97267982426817 0.81417213618757 0.92939829461508 6.941 > 25 29 Li 0.34149231191940 0.02732017573183 0.92939829461508 6.941 > 29 30 Li 0.84149231191940 0.02732017573183 0.92939829461508 6.941 > 29 31 Li 0.34149231191940 0.52732017573183 0.92939829461508 6.941 > 29 32 Li 0.84149231191940 0.52732017573183 0.92939829461508 6.941 > 29 33 Li 0.18582786381243 0.15850768808060 0.92939829461508 6.941 > 33 34 Li 0.68582786381243 0.15850768808060 0.92939829461508 6.941 > 33 35 Li 0.18582786381243 0.65850768808060 0.92939829461508 6.941 > 33 36 Li 0.68582786381243 0.65850768808060 0.92939829461508 6.941 > 33 37 Li 0.18582786381243 0.02732017573183 0.57060170538492 6.941 > 37 38 Li 0.68582786381243 0.02732017573183 0.57060170538492 6.941 > 37 39 Li 0.18582786381243 0.52732017573183 0.57060170538492 6.941 > 37 40 Li 0.68582786381243 0.52732017573183 0.57060170538492 6.941 > 37 41 Li 0.47267982426817 0.15850768808060 0.57060170538492 6.941 > 41 42 Li 0.97267982426817 0.15850768808060 0.57060170538492 6.941 > 41 43 Li 0.47267982426817 0.65850768808060 0.57060170538492 6.941 > 41 44 Li 0.97267982426817 0.65850768808060 0.57060170538492 6.941 > 41 45 Li 0.34149231191940 0.31417213618757 0.57060170538492 6.941 > 45 46 Li 0.84149231191940 0.31417213618757 0.57060170538492 6.941 > 45 47 Li 0.34149231191940 0.81417213618757 0.57060170538492 6.941 > 45 48 Li 0.84149231191940 0.81417213618757 0.57060170538492 6.941 > 45 49 O 0.47945269277601 0.14838737180615 0.37785639516161 15.999 > 49 50 O 0.97945269277601 0.14838737180615 0.37785639516161 15.999 > 49 51 O 0.47945269277601 0.64838737180615 0.37785639516161 15.999 > 49 52 O 0.97945269277601 0.64838737180615 0.37785639516161 15.999 > 49 53 O 0.16893467903013 0.02054730722399 0.37785639516161 15.999 > 53 54 O 0.66893467903013 0.02054730722399 0.37785639516161 15.999 > 53 55 O 0.16893467903013 0.52054730722399 0.37785639516161 15.999 > 53 56 O 0.66893467903013 0.52054730722399 0.37785639516161 15.999 > 53 57 O 0.35161262819385 0.33106532096987 0.37785639516161 15.999 > 57 58 O 0.85161262819385 0.33106532096987 0.37785639516161 15.999 > 57 59 O 0.35161262819385 0.83106532096987 0.37785639516161 15.999 > 57 60 O 0.85161262819385 0.83106532096987 0.37785639516161 15.999 > 57 61 O 0.35161262819385 0.02054730722399 0.12214360483839 15.999 > 61 62 O 0.85161262819385 0.02054730722399 0.12214360483839 15.999 > 61 63 O 0.35161262819385 0.52054730722399 0.12214360483839 15.999 > 61 64 O 0.85161262819385 0.52054730722399 0.12214360483839 15.999 > 61 65 O 0.47945269277601 0.33106532096987 0.12214360483839 15.999 > 65 66 O 0.97945269277601 0.33106532096987 0.12214360483839 15.999 > 65 67 O 0.47945269277601 0.83106532096987 0.12214360483839 15.999 > 65 68 O 0.97945269277601 0.83106532096987 0.12214360483839 15.999 > 65 69 O 0.16893467903013 0.14838737180615 0.12214360483839 15.999 > 69 70 O 0.66893467903013 0.14838737180615 0.12214360483839 15.999 > 69 71 O 0.16893467903013 0.64838737180615 0.12214360483839 15.999 > 69 72 O 0.66893467903013 0.64838737180615 0.12214360483839 15.999 > 69 73 O 0.02054730722399 0.35161262819385 0.62214360483839 15.999 > 73 74 O 0.52054730722399 0.35161262819385 0.62214360483839 15.999 > 73 75 O 0.02054730722399 0.85161262819385 0.62214360483839 15.999 > 73 76 O 0.52054730722399 0.85161262819385 0.62214360483839 15.999 > 73 77 O 0.33106532096987 0.47945269277601 0.62214360483839 15.999 > 77 78 O 0.83106532096987 0.47945269277601 0.62214360483839 15.999 > 77 79 O 0.33106532096987 0.97945269277601 0.62214360483839 15.999 > 77 80 O 0.83106532096987 0.97945269277601 0.62214360483839 15.999 > 77 81 O 0.14838737180615 0.16893467903013 0.62214360483839 15.999 > 81 82 O 0.64838737180615 0.16893467903013 0.62214360483839 15.999 > 81 83 O 0.14838737180615 0.66893467903013 0.62214360483839 15.999 > 81 84 O 0.64838737180615 0.66893467903013 0.62214360483839 15.999 > 81 85 O 0.14838737180615 0.47945269277601 0.87785639516161 15.999 > 85 86 O 0.64838737180615 0.47945269277601 0.87785639516161 15.999 > 85 87 O 0.14838737180615 0.97945269277601 0.87785639516161 15.999 > 85 88 O 0.64838737180615 0.97945269277601 0.87785639516161 15.999 > 85 89 O 0.02054730722399 0.16893467903013 0.87785639516161 15.999 > 89 90 O 0.52054730722399 0.16893467903013 0.87785639516161 15.999 > 89 91 O 0.02054730722399 0.66893467903013 0.87785639516161 15.999 > 89 92 O 0.52054730722399 0.66893467903013 0.87785639516161 15.999 > 89 93 O 0.33106532096987 0.35161262819385 0.87785639516161 15.999 > 93 94 O 0.83106532096987 0.35161262819385 0.87785639516161 15.999 > 93 95 O 0.33106532096987 0.85161262819385 0.87785639516161 15.999 > 93 96 O 0.83106532096987 0.85161262819385 0.87785639516161 15.999 > 93 97 In 0.33333333333333 0.16666666666667 0.25000000000000 114.818 > 97 98 In 0.83333333333333 0.16666666666667 0.25000000000000 114.818 > 97 99 In 0.33333333333333 0.66666666666667 0.25000000000000 114.818 > 97 100 In 0.83333333333333 0.66666666666667 0.25000000000000 114.818 > 97 101 In 0.16666666666667 0.33333333333333 0.75000000000000 114.818 > 101 102 In 0.66666666666667 0.33333333333333 0.75000000000000 114.818 > 101 103 In 0.16666666666667 0.83333333333333 0.75000000000000 114.818 > 101 104 In 0.66666666666667 0.83333333333333 0.75000000000000 114.818 > 101 105 In 0.00000000000000 0.00000000000000 0.25000000000000 114.818 > 105 106 In 0.50000000000000 0.00000000000000 0.25000000000000 114.818 > 105 107 In 0.00000000000000 0.50000000000000 0.25000000000000 114.818 > 105 108 In 0.50000000000000 0.50000000000000 0.25000000000000 114.818 > 105 109 In 0.00000000000000 0.00000000000000 0.75000000000000 114.818 > 109 110 In 0.50000000000000 0.00000000000000 0.75000000000000 114.818 > 109 111 In 0.00000000000000 0.50000000000000 0.75000000000000 114.818 > 109 112 In 0.50000000000000 0.50000000000000 0.75000000000000 114.818 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.6134688 -0.0000000 0.0000000 0.0000000 3.6134688 0.0000000 0.0000000 0.0000000 3.5626222 -------------------------- Born effective charges -------------------------- 1 Li 0.9980834 -0.1043423 -0.0942692 -0.1091072 0.8919597 -0.0390300 -0.0501111 -0.0393736 1.1011827 2 Li 1.0109170 0.1016978 0.0133336 0.0969329 0.8791261 0.1011545 -0.0090430 0.0630843 1.1011827 3 Li 0.8260642 0.0097919 0.0809356 0.0050270 1.0639788 -0.0621245 0.0591541 -0.0237106 1.1011827 4 Li 1.0109170 -0.1016978 0.0133336 -0.0969329 0.8791261 -0.1011545 -0.0090430 -0.0630843 1.1011827 5 Li 0.8260642 -0.0097919 0.0809356 -0.0050270 1.0639788 0.0621245 0.0591541 0.0237106 1.1011827 6 Li 0.9980834 0.1043423 -0.0942692 0.1091072 0.8919597 0.0390300 -0.0501111 0.0393736 1.1011827 7 Li 0.9980834 -0.1043423 -0.0942692 -0.1091072 0.8919597 -0.0390300 -0.0501111 -0.0393736 1.1011827 8 Li 1.0109170 0.1016978 0.0133336 0.0969329 0.8791261 0.1011545 -0.0090430 0.0630843 1.1011827 9 Li 0.8260642 0.0097919 0.0809356 0.0050270 1.0639788 -0.0621245 0.0591541 -0.0237106 1.1011827 10 Li 1.0109170 -0.1016978 0.0133336 -0.0969329 0.8791261 -0.1011545 -0.0090430 -0.0630843 1.1011827 11 Li 0.8260642 -0.0097919 0.0809356 -0.0050270 1.0639788 0.0621245 0.0591541 0.0237106 1.1011827 12 Li 0.9980834 0.1043423 -0.0942692 0.1091072 0.8919597 0.0390300 -0.0501111 0.0393736 1.1011827 13 O -2.1073706 0.2606050 -0.0606010 0.2649769 -1.8648266 -0.2123047 -0.1120577 -0.2511533 -1.9605949 14 O -2.1530462 -0.2386061 -0.1535608 -0.2342342 -1.8191510 0.1586343 -0.1614763 0.2226215 -1.9605949 15 O -1.6978789 -0.0285568 0.2141618 -0.0241849 -2.2743183 0.0536704 0.2735340 0.0285318 -1.9605949 16 O -2.1530462 0.2386061 -0.1535608 0.2342342 -1.8191510 -0.1586343 -0.1614763 -0.2226215 -1.9605949 17 O -1.6978789 0.0285568 0.2141618 0.0241849 -2.2743183 -0.0536704 0.2735340 -0.0285318 -1.9605949 18 O -2.1073706 -0.2606050 -0.0606010 -0.2649769 -1.8648266 0.2123047 -0.1120577 0.2511533 -1.9605949 19 O -2.1073706 0.2606050 -0.0606010 0.2649769 -1.8648266 -0.2123047 -0.1120577 -0.2511533 -1.9605949 20 O -2.1530462 -0.2386061 -0.1535608 -0.2342342 -1.8191510 0.1586343 -0.1614763 0.2226215 -1.9605949 21 O -1.6978789 -0.0285568 0.2141618 -0.0241849 -2.2743183 0.0536704 0.2735340 0.0285318 -1.9605949 22 O -2.1530462 0.2386061 -0.1535608 0.2342342 -1.8191510 -0.1586343 -0.1614763 -0.2226215 -1.9605949 23 O -1.6978789 0.0285568 0.2141618 0.0241849 -2.2743183 -0.0536704 0.2735340 -0.0285318 -1.9605949 24 O -2.1073706 -0.2606050 -0.0606010 -0.2649769 -1.8648266 0.2123047 -0.1120577 0.2511533 -1.9605949 25 In 3.0947060 -0.0000000 0.0000000 0.0000000 3.0947060 0.0000000 0.0000000 0.0000000 2.5286632 26 In 3.0947060 -0.0000000 0.0000000 0.0000000 3.0947060 0.0000000 0.0000000 0.0000000 2.5286632 27 In 3.1517563 -0.0000000 0.0000000 0.0000000 3.1517563 0.0000000 0.0000000 0.0000000 2.6278100 28 In 3.1517563 -0.0000000 0.0000000 0.0000000 3.1517563 0.0000000 0.0000000 0.0000000 2.6278100 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.63, Number of G-points: 313, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/58) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 58 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 2.790 ( 0.000 0.000 0.000) 0.000 2.790 ( 0.000 0.000 0.000) 0.000 4.314 ( 0.000 0.000 0.000) 0.000 4.352 ( 0.000 0.000 0.000) 0.000 4.683 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.286 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.294 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 5.668 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 6.458 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.406 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.711 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 7.990 ( 0.000 0.000 0.000) 0.000 8.177 ( 0.000 0.000 0.000) 0.000 8.802 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 8.870 ( 0.000 0.000 0.000) 0.000 9.106 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.225 ( 0.000 0.000 0.000) 0.000 9.579 ( 0.000 0.000 0.000) 0.000 9.859 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.573 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 10.710 ( 0.000 0.000 0.000) 0.000 11.014 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.083 ( 0.000 0.000 0.000) 0.000 11.245 ( 0.000 0.000 0.000) 0.000 11.479 ( 0.000 0.000 0.000) 0.000 11.479 ( 0.000 0.000 0.000) 0.000 12.071 ( 0.000 0.000 0.000) 0.000 12.118 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.378 ( 0.000 0.000 0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 12.763 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 12.780 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.249 ( 0.000 0.000 0.000) 0.000 13.380 ( 0.000 0.000 0.000) 0.000 13.641 ( 0.000 0.000 0.000) 0.000 13.906 ( 0.000 0.000 0.000) 0.000 13.906 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 13.948 ( 0.000 0.000 0.000) 0.000 14.065 ( 0.000 0.000 0.000) 0.000 14.065 ( 0.000 0.000 0.000) 0.000 14.330 ( 0.000 0.000 0.000) 0.000 14.330 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.434 ( 0.000 0.000 0.000) 0.000 14.674 ( 0.000 0.000 0.000) 0.000 14.776 ( 0.000 0.000 0.000) 0.000 15.413 ( 0.000 0.000 0.000) 0.000 15.438 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 15.858 ( 0.000 0.000 0.000) 0.000 15.964 ( 0.000 0.000 0.000) 0.000 15.964 ( 0.000 0.000 0.000) 0.000 15.999 ( 0.000 0.000 0.000) 0.000 16.720 ( 0.000 0.000 0.000) 0.000 16.768 ( 0.000 0.000 0.000) 0.000 17.610 ( 0.000 0.000 0.000) 0.000 17.760 ( 0.000 0.000 0.000) 0.000 18.079 ( 0.000 0.000 0.000) 0.000 18.079 ( 0.000 0.000 0.000) 0.000 18.298 ( 0.000 0.000 0.000) 0.000 18.298 ( 0.000 0.000 0.000) 0.000 19.834 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/58) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 30.068 17.360 0.000) 34.719 0.820 ( 34.457 19.893 0.000) 39.787 1.307 ( 53.601 30.947 0.000) 61.893 2.832 ( 3.476 2.007 0.000) 4.014 2.862 ( 5.806 3.352 0.000) 6.704 4.245 ( -5.650 -3.262 0.000) 6.524 4.335 ( -1.449 -0.837 0.000) 1.674 4.549 ( -7.482 -4.320 0.000) 8.640 5.198 ( -6.201 -3.580 0.000) 7.160 5.241 ( -3.478 -2.008 0.000) 4.016 5.311 ( -0.406 -0.234 0.000) 0.469 5.375 ( 1.751 1.011 0.000) 2.022 5.716 ( 3.694 2.133 0.000) 4.266 5.887 ( 18.872 10.896 0.000) 21.791 6.465 ( 0.716 0.413 0.000) 0.827 6.968 ( -0.319 -0.184 0.000) 0.368 7.435 ( 1.855 1.071 0.000) 2.141 7.449 ( 2.685 1.550 0.000) 3.100 7.732 ( 1.569 0.906 0.000) 1.811 7.754 ( 3.036 1.753 0.000) 3.505 7.987 ( 0.193 0.111 0.000) 0.223 8.007 ( 1.189 0.686 0.000) 1.373 8.205 ( 3.040 1.755 0.000) 3.511 8.544 ( -16.486 -9.518 0.000) 19.036 8.807 ( -3.843 -2.219 0.000) 4.437 8.944 ( 5.516 3.185 0.000) 6.369 9.114 ( -0.093 -0.054 0.000) 0.107 9.258 ( 1.518 0.876 0.000) 1.753 9.377 ( -14.628 -8.445 0.000) 16.891 9.436 ( 12.499 7.216 0.000) 14.433 9.795 ( -4.675 -2.699 0.000) 5.398 10.487 ( -7.250 -4.186 0.000) 8.372 10.570 ( 0.099 0.057 0.000) 0.114 10.710 ( -0.455 -0.263 0.000) 0.525 10.810 ( 0.633 0.365 0.000) 0.730 10.902 ( -6.938 -4.006 0.000) 8.012 10.976 ( -8.126 -4.692 0.000) 9.383 11.244 ( 4.766 2.752 0.000) 5.504 11.293 ( 3.926 2.267 0.000) 4.534 11.456 ( -1.868 -1.079 0.000) 2.157 11.459 ( -1.182 -0.683 0.000) 1.365 11.993 ( -4.223 -2.438 0.000) 4.877 12.147 ( 5.863 3.385 0.000) 6.770 12.226 ( 0.224 0.130 0.000) 0.259 12.261 ( -7.896 -4.559 0.000) 9.118 12.594 ( -7.845 -4.529 0.000) 9.059 12.692 ( -2.596 -1.499 0.000) 2.997 12.802 ( 0.771 0.445 0.000) 0.890 12.835 ( 1.789 1.033 0.000) 2.065 13.076 ( 4.021 2.322 0.000) 4.643 13.207 ( -2.835 -1.637 0.000) 3.273 13.279 ( 4.734 2.733 0.000) 5.466 13.405 ( 3.809 2.199 0.000) 4.398 13.538 ( -6.530 -3.770 0.000) 7.540 13.795 ( -13.261 -7.656 0.000) 15.312 13.840 ( -2.763 -1.595 0.000) 3.190 13.927 ( 1.867 1.078 0.000) 2.156 13.928 ( 1.285 0.742 0.000) 1.484 14.073 ( 3.151 1.819 0.000) 3.639 14.126 ( 7.378 4.260 0.000) 8.520 14.136 ( 2.056 1.187 0.000) 2.374 14.298 ( 0.811 0.468 0.000) 0.937 14.349 ( 2.180 1.258 0.000) 2.517 14.476 ( 4.297 2.481 0.000) 4.961 14.651 ( 0.191 0.110 0.000) 0.221 14.739 ( -2.769 -1.599 0.000) 3.198 15.098 ( -9.141 -5.278 0.000) 10.555 15.326 ( -7.365 -4.252 0.000) 8.505 15.441 ( -0.251 -0.145 0.000) 0.290 15.678 ( 3.834 2.214 0.000) 4.427 15.731 ( 2.222 1.283 0.000) 2.566 15.786 ( -1.712 -0.988 0.000) 1.977 16.113 ( 9.788 5.651 0.000) 11.303 16.255 ( 16.453 9.499 0.000) 18.998 16.699 ( -1.828 -1.055 0.000) 2.110 16.703 ( -4.999 -2.886 0.000) 5.773 17.556 ( -4.698 -2.712 0.000) 5.424 17.880 ( 9.552 5.515 0.000) 11.030 17.903 ( -13.760 -7.945 0.000) 15.889 18.098 ( 0.917 0.529 0.000) 1.059 18.330 ( 2.676 1.545 0.000) 3.090 18.378 ( 6.758 3.902 0.000) 7.804 19.870 ( 2.137 1.234 0.000) 2.468 19.910 ( 1.370 0.791 0.000) 1.582 ======================= Grid point 2 (3/58) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.414 ( 28.308 16.344 0.000) 32.688 1.626 ( 33.378 19.271 0.000) 38.542 2.500 ( 46.364 26.768 0.000) 53.537 2.944 ( 5.658 3.266 0.000) 6.533 3.047 ( 9.447 5.454 0.000) 10.909 4.080 ( -7.284 -4.205 0.000) 8.411 4.285 ( -2.701 -1.560 0.000) 3.119 4.396 ( -5.687 -3.283 0.000) 6.567 4.988 ( -11.450 -6.611 0.000) 13.222 5.129 ( -5.725 -3.305 0.000) 6.611 5.258 ( -4.051 -2.339 0.000) 4.678 5.355 ( -2.504 -1.446 0.000) 2.891 5.876 ( 9.759 5.634 0.000) 11.268 6.418 ( 19.520 11.270 0.000) 22.540 6.509 ( 6.058 3.498 0.000) 6.995 6.985 ( 2.187 1.263 0.000) 2.526 7.464 ( -2.665 -1.539 0.000) 3.077 7.470 ( 1.055 0.609 0.000) 1.218 7.773 ( 1.394 0.805 0.000) 1.610 7.774 ( -2.522 -1.456 0.000) 2.912 8.024 ( 0.471 0.272 0.000) 0.544 8.053 ( 2.801 1.617 0.000) 3.234 8.147 ( -12.248 -7.072 0.000) 14.143 8.340 ( 7.372 4.256 0.000) 8.512 8.758 ( 0.719 0.415 0.000) 0.830 8.866 ( -18.774 -10.839 0.000) 21.678 9.080 ( -2.630 -1.519 0.000) 3.037 9.159 ( 4.440 2.564 0.000) 5.127 9.339 ( 4.418 2.551 0.000) 5.101 9.626 ( -1.306 -0.754 0.000) 1.509 9.788 ( 9.519 5.496 0.000) 10.992 10.246 ( -11.929 -6.887 0.000) 13.775 10.538 ( -3.926 -2.267 0.000) 4.533 10.640 ( -10.124 -5.845 0.000) 11.690 10.701 ( -2.830 -1.634 0.000) 3.268 10.782 ( -3.297 -1.903 0.000) 3.807 10.903 ( 3.363 1.942 0.000) 3.883 11.295 ( -1.001 -0.578 0.000) 1.156 11.313 ( -4.817 -2.781 0.000) 5.563 11.500 ( 7.857 4.536 0.000) 9.073 11.506 ( 4.290 2.477 0.000) 4.953 11.902 ( -3.917 -2.262 0.000) 4.524 12.024 ( -8.197 -4.732 0.000) 9.465 12.111 ( -8.001 -4.620 0.000) 9.239 12.356 ( 6.792 3.922 0.000) 7.843 12.470 ( -3.595 -2.075 0.000) 4.151 12.610 ( -2.985 -1.724 0.000) 3.447 12.789 ( -1.414 -0.816 0.000) 1.633 12.807 ( -7.068 -4.081 0.000) 8.162 13.156 ( -1.282 -0.740 0.000) 1.481 13.166 ( 2.572 1.485 0.000) 2.969 13.342 ( 0.660 0.381 0.000) 0.762 13.393 ( -4.738 -2.736 0.000) 5.471 13.479 ( -3.710 -2.142 0.000) 4.284 13.549 ( 3.579 2.066 0.000) 4.133 13.731 ( -5.905 -3.409 0.000) 6.819 13.967 ( 2.113 1.220 0.000) 2.440 13.990 ( 2.051 1.184 0.000) 2.369 14.068 ( -3.551 -2.050 0.000) 4.101 14.146 ( 1.353 0.781 0.000) 1.562 14.199 ( -1.315 -0.759 0.000) 1.518 14.445 ( 6.877 3.970 0.000) 7.941 14.470 ( 6.326 3.652 0.000) 7.305 14.610 ( 6.022 3.477 0.000) 6.954 14.660 ( -1.024 -0.591 0.000) 1.183 14.718 ( 3.618 2.089 0.000) 4.178 14.933 ( -4.334 -2.502 0.000) 5.005 15.119 ( -7.169 -4.139 0.000) 8.278 15.408 ( -2.577 -1.488 0.000) 2.976 15.700 ( -1.818 -1.049 0.000) 2.099 15.804 ( 0.065 0.038 0.000) 0.075 15.837 ( 8.720 5.035 0.000) 10.069 16.332 ( 6.372 3.679 0.000) 7.358 16.573 ( -4.341 -2.506 0.000) 5.012 16.620 ( 1.008 0.582 0.000) 1.165 16.656 ( 9.580 5.531 0.000) 11.062 17.372 ( -11.221 -6.479 0.000) 12.957 17.531 ( -14.337 -8.277 0.000) 16.554 18.081 ( 1.267 0.731 0.000) 1.463 18.199 ( 12.855 7.422 0.000) 14.843 18.421 ( 4.823 2.785 0.000) 5.569 18.585 ( 9.621 5.555 0.000) 11.109 19.896 ( 0.692 0.399 0.000) 0.799 19.982 ( 3.619 2.089 0.000) 4.178 ======================= Grid point 3 (4/58) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.046 ( 24.642 14.227 0.000) 28.454 2.388 ( 30.620 17.679 0.000) 35.357 3.076 ( 4.762 2.750 0.000) 5.499 3.290 ( 11.526 6.654 0.000) 13.309 3.473 ( 34.670 20.017 0.000) 40.033 3.928 ( -5.348 -3.088 0.000) 6.176 4.204 ( -4.432 -2.559 0.000) 5.118 4.268 ( -5.069 -2.927 0.000) 5.853 4.670 ( -14.834 -8.564 0.000) 17.129 4.981 ( -6.536 -3.773 0.000) 7.547 5.127 ( -6.891 -3.979 0.000) 7.957 5.282 ( -3.248 -1.875 0.000) 3.750 6.159 ( 13.654 7.883 0.000) 15.766 6.534 ( 1.736 1.002 0.000) 2.005 6.848 ( 6.794 3.923 0.000) 7.846 7.070 ( 4.265 2.462 0.000) 4.925 7.337 ( -6.445 -3.721 0.000) 7.442 7.503 ( 2.107 1.216 0.000) 2.433 7.736 ( 3.081 1.779 0.000) 3.557 7.756 ( -3.280 -1.894 0.000) 3.787 7.783 ( -11.378 -6.569 0.000) 13.139 8.041 ( -0.293 -0.169 0.000) 0.339 8.265 ( 6.214 3.588 0.000) 7.175 8.386 ( -9.116 -5.263 0.000) 10.526 8.552 ( 1.266 0.731 0.000) 1.461 8.849 ( 6.355 3.669 0.000) 7.338 9.025 ( -0.779 -0.450 0.000) 0.899 9.175 ( -4.459 -2.575 0.000) 5.149 9.523 ( 10.112 5.838 0.000) 11.676 9.596 ( 0.165 0.095 0.000) 0.190 9.997 ( -7.876 -4.547 0.000) 9.094 10.030 ( 8.834 5.100 0.000) 10.201 10.405 ( -9.380 -5.415 0.000) 10.831 10.419 ( -4.962 -2.865 0.000) 5.729 10.536 ( -6.502 -3.754 0.000) 7.508 10.875 ( 6.080 3.510 0.000) 7.021 11.008 ( 4.770 2.754 0.000) 5.508 11.159 ( -6.912 -3.991 0.000) 7.982 11.278 ( 0.575 0.332 0.000) 0.664 11.501 ( -4.761 -2.749 0.000) 5.497 11.670 ( 1.425 0.823 0.000) 1.646 11.846 ( 1.477 0.853 0.000) 1.706 11.929 ( -4.866 -2.809 0.000) 5.618 11.942 ( 0.457 0.264 0.000) 0.528 12.279 ( -15.879 -9.168 0.000) 18.335 12.282 ( -9.465 -5.465 0.000) 10.929 12.610 ( -2.579 -1.489 0.000) 2.978 12.708 ( 7.507 4.334 0.000) 8.668 12.758 ( -0.812 -0.469 0.000) 0.937 13.139 ( -0.966 -0.558 0.000) 1.115 13.172 ( -1.086 -0.627 0.000) 1.254 13.355 ( 1.206 0.696 0.000) 1.393 13.388 ( 4.275 2.468 0.000) 4.936 13.489 ( 0.947 0.547 0.000) 1.093 13.591 ( -5.541 -3.199 0.000) 6.398 13.664 ( 5.167 2.983 0.000) 5.967 13.884 ( -7.115 -4.108 0.000) 8.216 13.996 ( -2.413 -1.393 0.000) 2.786 14.066 ( -1.458 -0.842 0.000) 1.683 14.149 ( 6.565 3.790 0.000) 7.581 14.214 ( -0.186 -0.107 0.000) 0.215 14.452 ( -6.555 -3.784 0.000) 7.569 14.578 ( 4.062 2.345 0.000) 4.691 14.591 ( -2.257 -1.303 0.000) 2.606 14.762 ( 6.073 3.506 0.000) 7.012 14.883 ( -0.062 -0.036 0.000) 0.071 14.905 ( 8.188 4.727 0.000) 9.455 15.102 ( 4.348 2.510 0.000) 5.021 15.338 ( -1.800 -1.039 0.000) 2.078 15.625 ( -5.431 -3.135 0.000) 6.271 15.800 ( 0.394 0.227 0.000) 0.455 16.030 ( 5.827 3.364 0.000) 6.728 16.314 ( -5.178 -2.989 0.000) 5.979 16.481 ( -7.991 -4.614 0.000) 9.228 16.604 ( 4.744 2.739 0.000) 5.477 16.804 ( -4.919 -2.840 0.000) 5.679 17.211 ( 3.292 1.901 0.000) 3.801 17.280 ( -7.366 -4.253 0.000) 8.505 18.084 ( -0.068 -0.039 0.000) 0.079 18.520 ( 12.599 7.274 0.000) 14.548 18.542 ( 4.970 2.870 0.000) 5.739 18.794 ( 7.437 4.294 0.000) 8.588 19.920 ( 1.467 0.847 0.000) 1.694 20.052 ( 2.068 1.194 0.000) 2.388 ======================= Grid point 4 (5/58) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.556 ( 17.698 10.218 0.000) 20.435 3.045 ( 22.419 12.944 0.000) 25.888 3.144 ( 2.270 1.311 0.000) 2.621 3.575 ( 12.624 7.289 0.000) 14.577 3.826 ( -3.682 -2.126 0.000) 4.252 4.049 ( -8.392 -4.845 0.000) 9.690 4.113 ( 13.465 7.774 0.000) 15.548 4.180 ( -2.247 -1.297 0.000) 2.594 4.347 ( -5.955 -3.438 0.000) 6.876 4.834 ( -5.414 -3.126 0.000) 6.251 4.931 ( -9.773 -5.642 0.000) 11.285 5.221 ( -1.595 -0.921 0.000) 1.842 6.491 ( 13.422 7.749 0.000) 15.499 6.517 ( -3.605 -2.082 0.000) 4.163 6.867 ( 0.828 0.478 0.000) 0.956 7.131 ( -0.048 -0.028 0.000) 0.056 7.159 ( -8.485 -4.899 0.000) 9.798 7.516 ( -3.381 -1.952 0.000) 3.905 7.580 ( -5.682 -3.280 0.000) 6.561 7.640 ( -4.925 -2.843 0.000) 5.687 7.959 ( 11.877 6.857 0.000) 13.714 8.020 ( 3.842 2.218 0.000) 4.437 8.311 ( -1.996 -1.153 0.000) 2.305 8.324 ( 1.697 0.980 0.000) 1.960 8.601 ( 1.418 0.819 0.000) 1.637 8.988 ( -10.047 -5.801 0.000) 11.601 9.007 ( 5.818 3.359 0.000) 6.718 9.068 ( 3.398 1.962 0.000) 3.924 9.624 ( 1.708 0.986 0.000) 1.973 9.739 ( 6.782 3.916 0.000) 7.831 9.886 ( -1.862 -1.075 0.000) 2.150 10.172 ( 3.378 1.950 0.000) 3.901 10.219 ( -5.796 -3.346 0.000) 6.693 10.320 ( -3.635 -2.099 0.000) 4.197 10.462 ( 0.429 0.248 0.000) 0.496 10.914 ( -4.685 -2.705 0.000) 5.409 11.082 ( 1.684 0.972 0.000) 1.944 11.122 ( 5.928 3.423 0.000) 6.845 11.244 ( -5.271 -3.043 0.000) 6.086 11.507 ( 7.891 4.556 0.000) 9.111 11.594 ( -4.135 -2.387 0.000) 4.774 11.743 ( -5.480 -3.164 0.000) 6.328 11.869 ( -15.422 -8.904 0.000) 17.808 11.886 ( -5.807 -3.352 0.000) 6.705 12.077 ( 8.629 4.982 0.000) 9.963 12.105 ( -4.871 -2.812 0.000) 5.625 12.646 ( 3.582 2.068 0.000) 4.136 12.752 ( 0.269 0.156 0.000) 0.311 12.803 ( 0.417 0.241 0.000) 0.482 13.080 ( -4.075 -2.353 0.000) 4.706 13.207 ( 4.220 2.436 0.000) 4.872 13.390 ( 0.846 0.488 0.000) 0.976 13.471 ( -4.280 -2.471 0.000) 4.942 13.475 ( -0.532 -0.307 0.000) 0.614 13.516 ( 4.581 2.645 0.000) 5.290 13.689 ( -4.985 -2.878 0.000) 5.756 13.786 ( 0.774 0.447 0.000) 0.893 13.906 ( -3.712 -2.143 0.000) 4.286 14.077 ( 1.402 0.810 0.000) 1.619 14.213 ( 0.793 0.458 0.000) 0.916 14.284 ( 0.814 0.470 0.000) 0.940 14.358 ( 3.731 2.154 0.000) 4.308 14.538 ( -2.171 -1.253 0.000) 2.507 14.675 ( 3.687 2.128 0.000) 4.257 14.869 ( 2.986 1.724 0.000) 3.448 14.894 ( -1.762 -1.017 0.000) 2.035 14.945 ( -1.966 -1.135 0.000) 2.271 15.202 ( 2.149 1.241 0.000) 2.481 15.443 ( 9.544 5.510 0.000) 11.020 15.463 ( -6.590 -3.805 0.000) 7.610 15.823 ( 1.219 0.704 0.000) 1.407 16.044 ( -3.050 -1.761 0.000) 3.522 16.206 ( -3.253 -1.878 0.000) 3.756 16.317 ( -6.605 -3.813 0.000) 7.626 16.621 ( -6.254 -3.611 0.000) 7.221 16.699 ( 2.881 1.663 0.000) 3.327 17.149 ( -2.602 -1.502 0.000) 3.005 17.386 ( 6.588 3.803 0.000) 7.607 18.085 ( 0.083 0.048 0.000) 0.096 18.638 ( 2.853 1.647 0.000) 3.295 18.764 ( 7.607 4.392 0.000) 8.784 18.921 ( 3.221 1.859 0.000) 3.719 19.966 ( 2.284 1.319 0.000) 2.637 20.074 ( -0.208 -0.120 0.000) 0.241 ======================= Grid point 5 (6/58) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 78 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( 0.000 0.000 0.000) 0.000 3.100 ( 0.000 0.000 0.000) 0.000 3.450 ( 0.000 0.000 0.000) 0.000 3.725 ( 0.000 0.000 0.000) 0.000 3.844 ( 0.000 0.000 0.000) 0.000 3.913 ( 0.000 0.000 0.000) 0.000 3.958 ( -0.000 -0.000 0.000) 0.000 4.154 ( 0.000 0.000 0.000) 0.000 4.585 ( -0.000 -0.000 0.000) 0.000 4.697 ( 0.000 0.000 0.000) 0.000 4.761 ( 0.000 0.000 0.000) 0.000 5.205 ( 0.000 0.000 0.000) 0.000 6.450 ( 0.000 0.000 0.000) 0.000 6.696 ( 0.000 0.000 0.000) 0.000 6.939 ( 0.000 0.000 0.000) 0.000 6.998 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.440 ( 0.000 0.000 0.000) 0.000 7.513 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 8.157 ( 0.000 0.000 0.000) 0.000 8.160 ( 0.000 0.000 0.000) 0.000 8.234 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.649 ( 0.000 0.000 0.000) 0.000 8.808 ( -0.000 -0.000 0.000) 0.000 9.082 ( 0.000 0.000 0.000) 0.000 9.118 ( 0.000 0.000 0.000) 0.000 9.650 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 9.884 ( 0.000 0.000 0.000) 0.000 10.150 ( 0.000 0.000 0.000) 0.000 10.223 ( 0.000 0.000 0.000) 0.000 10.260 ( 0.000 0.000 0.000) 0.000 10.485 ( -0.000 -0.000 0.000) 0.000 10.833 ( 0.000 0.000 0.000) 0.000 11.129 ( 0.000 0.000 0.000) 0.000 11.135 ( 0.000 0.000 0.000) 0.000 11.243 ( 0.000 0.000 0.000) 0.000 11.532 ( 0.000 0.000 0.000) 0.000 11.650 ( -0.000 -0.000 0.000) 0.000 11.665 ( 0.000 0.000 0.000) 0.000 11.675 ( 0.000 0.000 0.000) 0.000 11.795 ( 0.000 0.000 0.000) 0.000 12.017 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 0.000) 0.000 12.713 ( 0.000 0.000 0.000) 0.000 12.752 ( 0.000 0.000 0.000) 0.000 12.804 ( 0.000 0.000 0.000) 0.000 13.001 ( 0.000 0.000 0.000) 0.000 13.281 ( 0.000 0.000 0.000) 0.000 13.384 ( 0.000 0.000 0.000) 0.000 13.426 ( 0.000 0.000 0.000) 0.000 13.461 ( 0.000 0.000 0.000) 0.000 13.579 ( 0.000 0.000 0.000) 0.000 13.628 ( 0.000 0.000 0.000) 0.000 13.785 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 14.118 ( 0.000 0.000 0.000) 0.000 14.226 ( 0.000 0.000 0.000) 0.000 14.282 ( 0.000 0.000 0.000) 0.000 14.446 ( 0.000 0.000 0.000) 0.000 14.508 ( 0.000 0.000 0.000) 0.000 14.752 ( -0.000 -0.000 0.000) 0.000 14.779 ( 0.000 0.000 0.000) 0.000 14.910 ( -0.000 -0.000 0.000) 0.000 14.957 ( 0.000 0.000 0.000) 0.000 15.194 ( 0.000 0.000 0.000) 0.000 15.389 ( 0.000 0.000 0.000) 0.000 15.592 ( 0.000 0.000 0.000) 0.000 15.841 ( 0.000 0.000 0.000) 0.000 16.053 ( 0.000 0.000 0.000) 0.000 16.142 ( -0.000 -0.000 0.000) 0.000 16.168 ( -0.000 -0.000 0.000) 0.000 16.563 ( 0.000 0.000 0.000) 0.000 16.734 ( 0.000 0.000 0.000) 0.000 17.124 ( 0.000 0.000 0.000) 0.000 17.469 ( 0.000 0.000 0.000) 0.000 18.086 ( 0.000 0.000 0.000) 0.000 18.672 ( 0.000 0.000 0.000) 0.000 18.861 ( 0.000 0.000 0.000) 0.000 18.954 ( 0.000 0.000 0.000) 0.000 20.006 ( 0.000 0.000 0.000) 0.000 20.060 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 12 (7/58) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( 17.173 29.745 -6.307) 34.921 1.378 ( 19.034 32.968 -4.370) 38.319 2.201 ( 28.165 48.784 5.416) 56.590 2.914 ( 3.347 5.796 2.886) 7.289 2.985 ( 4.791 8.298 -2.561) 9.918 4.127 ( -4.216 -7.302 0.704) 8.461 4.302 ( -1.352 -2.341 -0.100) 2.705 4.434 ( -3.418 -5.920 -0.123) 6.837 5.088 ( -5.294 -9.170 1.121) 10.647 5.120 ( -3.869 -6.702 0.387) 7.748 5.296 ( -1.470 -2.546 -1.952) 3.528 5.367 ( -1.086 -1.881 -0.228) 2.184 5.816 ( 4.558 7.895 2.571) 9.472 6.276 ( 13.686 23.705 -2.225) 27.462 6.477 ( 0.781 1.353 -2.383) 2.849 6.993 ( 1.499 2.597 4.200) 5.161 7.419 ( -0.607 -1.051 -2.697) 2.957 7.522 ( 1.229 2.128 1.765) 3.025 7.744 ( 0.867 1.502 -0.656) 1.854 7.792 ( -0.622 -1.078 0.913) 1.543 8.009 ( -0.560 -0.970 -3.513) 3.687 8.026 ( 2.651 4.591 -2.989) 6.086 8.213 ( -6.104 -10.572 6.952) 14.049 8.339 ( 1.099 1.903 -1.258) 2.532 8.719 ( -2.708 -4.691 -1.296) 5.569 9.021 ( -8.809 -15.258 3.847) 18.034 9.094 ( 5.880 10.184 -1.208) 11.822 9.126 ( -3.773 -6.536 -2.828) 8.059 9.304 ( 1.325 2.294 0.142) 2.653 9.652 ( 6.687 11.582 -1.087) 13.418 9.728 ( -1.412 -2.445 1.445) 3.172 10.302 ( -7.070 -12.246 6.255) 15.462 10.563 ( -0.830 -1.437 -2.157) 2.722 10.664 ( -4.486 -7.770 -8.207) 12.160 10.774 ( -2.327 -4.030 -8.630) 9.805 10.831 ( 0.829 1.436 2.473) 2.978 10.879 ( -2.282 -3.952 11.325) 12.210 11.276 ( -0.496 -0.858 -5.059) 5.156 11.374 ( 3.130 5.421 5.236) 8.160 11.379 ( -1.901 -3.293 2.878) 4.769 11.498 ( 1.694 2.934 -3.295) 4.726 11.941 ( -1.431 -2.479 -3.105) 4.223 12.106 ( -4.877 -8.447 1.276) 9.837 12.192 ( -1.724 -2.987 -3.072) 4.619 12.306 ( 4.446 7.701 4.019) 9.759 12.403 ( -4.691 -8.124 -7.661) 12.112 12.667 ( -3.228 -5.590 -0.079) 6.456 12.739 ( -0.644 -1.115 5.465) 5.615 12.939 ( 0.069 0.119 -1.515) 1.521 13.070 ( 0.763 1.321 0.590) 1.636 13.184 ( -0.586 -1.015 4.976) 5.112 13.389 ( 2.291 3.968 1.564) 4.841 13.435 ( -2.772 -4.800 1.387) 5.714 13.459 ( 2.428 4.206 1.238) 5.011 13.544 ( -7.066 -12.239 1.200) 14.183 13.809 ( -2.272 -3.935 -1.824) 4.896 13.901 ( 1.212 2.100 -3.088) 3.927 14.008 ( -1.020 -1.766 -4.351) 4.805 14.067 ( -0.656 -1.136 -1.245) 1.808 14.088 ( 0.403 0.699 -0.868) 1.185 14.252 ( 1.272 2.203 -2.502) 3.568 14.360 ( 1.045 1.809 3.420) 4.007 14.443 ( 6.648 11.515 1.297) 13.359 14.572 ( 3.493 6.050 -0.318) 6.993 14.706 ( 0.212 0.367 3.795) 3.818 14.706 ( 2.403 4.162 -1.205) 4.954 14.923 ( -4.911 -8.506 8.022) 12.681 15.226 ( -4.134 -7.160 -12.694) 15.149 15.426 ( -0.915 -1.586 0.503) 1.899 15.681 ( -2.550 -4.416 -1.724) 5.383 15.763 ( 3.857 6.680 4.481) 8.921 15.801 ( 0.584 1.012 -2.055) 2.364 16.278 ( 5.116 8.862 -5.100) 11.433 16.551 ( 9.470 16.403 2.119) 19.058 16.603 ( -3.323 -5.755 0.546) 6.667 16.658 ( -1.730 -2.997 -0.741) 3.539 17.451 ( -4.301 -7.449 2.406) 8.932 17.631 ( -9.843 -17.049 0.777) 19.702 18.090 ( -0.424 -0.735 -2.602) 2.737 18.093 ( 7.967 13.798 0.460) 15.940 18.413 ( 3.073 5.323 2.005) 6.466 18.505 ( 5.159 8.936 2.115) 10.533 19.915 ( 0.391 0.677 1.045) 1.305 19.939 ( 2.247 3.891 -0.319) 4.504 ======================= Grid point 13 (8/58) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.869 ( 18.281 25.627 -3.838) 31.713 2.093 ( 25.888 25.746 -3.851) 36.714 3.049 ( 4.917 7.557 2.460) 9.346 3.154 ( 25.583 30.318 2.163) 39.728 3.191 ( 11.286 10.635 -0.612) 15.519 3.979 ( -4.684 -5.043 1.222) 6.990 4.239 ( -2.671 -2.866 -0.216) 3.924 4.315 ( -4.081 -4.394 -0.500) 6.018 4.828 ( -12.346 -9.204 1.355) 15.459 4.977 ( -2.852 -10.239 0.659) 10.650 5.207 ( -4.810 -3.262 -2.876) 6.485 5.308 ( -2.389 -2.909 -0.328) 3.778 6.037 ( 9.621 9.798 2.982) 14.052 6.481 ( 2.094 -1.168 -0.725) 2.505 6.762 ( 11.673 14.297 -3.778) 18.839 7.070 ( 2.128 5.758 4.904) 7.857 7.378 ( -2.795 -3.621 -3.665) 5.861 7.508 ( -1.689 -0.233 -1.306) 2.148 7.705 ( -2.590 -5.997 3.842) 7.579 7.753 ( -0.804 -2.581 -4.028) 4.851 7.876 ( -6.462 -9.055 1.652) 11.247 8.076 ( -1.117 3.348 3.553) 5.008 8.153 ( 5.609 0.347 -2.121) 6.007 8.465 ( 1.785 6.061 -0.936) 6.387 8.570 ( -7.497 -10.886 4.763) 14.050 8.761 ( 1.277 -3.180 -5.526) 6.502 9.037 ( -2.118 -1.980 3.739) 4.732 9.284 ( -1.749 8.538 -0.528) 8.731 9.396 ( 8.968 4.866 -0.311) 10.208 9.699 ( -3.439 6.974 -0.315) 7.782 9.857 ( 6.394 -2.223 -0.607) 6.796 10.095 ( -2.573 -2.628 -0.472) 3.708 10.470 ( -6.169 -6.624 -2.911) 9.508 10.491 ( -4.779 -4.571 -2.161) 6.957 10.636 ( -7.246 -3.647 -0.277) 8.117 10.869 ( 1.161 6.567 4.350) 7.962 10.926 ( 5.413 1.446 1.577) 5.821 11.187 ( -3.801 -7.188 -5.192) 9.647 11.311 ( -2.600 0.475 2.725) 3.796 11.472 ( 2.862 -4.346 2.241) 5.666 11.613 ( 6.320 5.343 0.927) 8.328 11.861 ( -6.239 -2.554 -2.470) 7.180 11.952 ( -3.555 -4.092 6.105) 8.164 12.042 ( -6.330 -4.161 -1.376) 7.699 12.301 ( -2.176 -7.154 -13.659) 15.572 12.413 ( -7.084 -1.902 2.860) 7.873 12.575 ( 6.026 -4.031 -2.258) 7.593 12.647 ( -3.281 -4.790 13.334) 14.543 12.848 ( -6.887 1.744 -7.944) 10.657 13.113 ( 3.289 -3.252 -2.849) 5.433 13.156 ( -0.112 -0.708 7.916) 7.949 13.379 ( -2.058 1.809 3.915) 4.778 13.386 ( -2.361 3.022 -0.023) 3.835 13.510 ( 3.747 4.305 3.864) 6.892 13.557 ( 4.709 -0.061 3.237) 5.715 13.710 ( -5.651 0.653 -2.716) 6.304 13.840 ( -1.978 -9.786 -4.636) 11.008 14.008 ( 3.945 0.562 -1.263) 4.181 14.087 ( 0.411 3.138 1.548) 3.523 14.150 ( -3.703 -4.775 -0.765) 6.091 14.183 ( 2.270 1.847 -11.071) 11.451 14.396 ( 1.193 -2.218 0.381) 2.547 14.658 ( -3.193 1.218 -3.129) 4.633 14.671 ( 0.916 7.478 8.521) 11.374 14.730 ( 0.365 6.396 -3.445) 7.274 14.807 ( 6.934 4.876 6.491) 10.677 14.854 ( 4.145 -1.602 2.359) 5.031 15.077 ( -3.818 -2.206 -10.028) 10.955 15.377 ( -2.006 -1.221 -0.107) 2.351 15.604 ( -0.292 -7.059 -2.482) 7.489 15.797 ( -0.626 -0.817 1.122) 1.523 15.936 ( 7.272 4.649 4.899) 9.925 16.378 ( -3.071 -0.187 -1.503) 3.424 16.506 ( 0.449 -4.171 0.015) 4.195 16.579 ( -2.408 -1.175 -7.223) 7.704 16.848 ( 4.294 8.506 6.042) 11.283 17.253 ( -7.811 -3.679 3.154) 9.191 17.329 ( -5.635 -10.222 1.283) 11.743 18.069 ( -0.064 -1.920 -3.561) 4.046 18.403 ( 10.756 11.772 -0.167) 15.947 18.533 ( 2.929 7.302 1.831) 8.078 18.709 ( 7.538 6.532 1.474) 10.083 19.927 ( -0.074 1.932 0.710) 2.059 20.023 ( 2.869 2.175 -0.451) 3.628 ======================= Grid point 14 (9/58) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.417 ( 15.779 20.816 -1.874) 26.187 2.787 ( 24.466 20.763 -2.863) 32.216 3.170 ( 0.628 6.444 1.532) 6.654 3.436 ( 11.129 7.269 0.569) 13.305 3.869 ( -3.445 -2.384 0.913) 4.288 3.887 ( 21.935 17.738 0.175) 28.210 4.135 ( -5.910 -3.974 -0.147) 7.124 4.207 ( -3.120 -2.966 -1.078) 4.438 4.489 ( -13.974 -8.947 1.938) 16.706 4.812 ( -3.163 -11.208 0.750) 11.670 5.069 ( -7.229 -2.195 -3.047) 8.146 5.237 ( -2.095 -2.398 -0.741) 3.269 6.334 ( 12.387 8.561 1.867) 15.172 6.483 ( 1.217 -5.635 1.153) 5.879 6.888 ( -2.361 0.319 -3.200) 3.990 7.154 ( 1.005 1.193 2.683) 3.103 7.237 ( -7.498 -4.023 -4.070) 9.432 7.478 ( -0.171 -6.029 -3.841) 7.150 7.621 ( -1.725 -3.267 3.459) 5.061 7.716 ( -5.940 -4.582 3.630) 8.334 7.802 ( 9.012 3.162 1.337) 9.644 7.998 ( -2.760 -5.178 -0.148) 5.870 8.257 ( 4.719 3.768 3.072) 6.776 8.383 ( -3.668 -0.712 1.509) 4.030 8.579 ( 2.184 1.461 -0.541) 2.682 8.841 ( 7.915 -3.393 -5.832) 10.400 9.046 ( 1.146 4.751 6.379) 8.036 9.245 ( -9.519 7.983 -2.354) 12.645 9.613 ( 5.799 5.017 2.835) 8.175 9.751 ( 0.402 9.894 -4.741) 10.979 9.850 ( 1.192 -3.436 -4.102) 5.482 10.166 ( 3.043 3.809 -1.428) 5.080 10.302 ( -5.720 -2.563 1.286) 6.399 10.371 ( -4.706 -1.874 -3.407) 6.105 10.508 ( -4.201 1.010 2.616) 5.051 10.965 ( -1.447 2.799 -1.312) 3.413 11.023 ( 3.481 -1.932 5.134) 6.497 11.047 ( 0.558 -4.618 -1.980) 5.056 11.322 ( -1.421 2.629 0.658) 3.061 11.433 ( 3.112 -1.016 -0.154) 3.278 11.650 ( -6.128 -3.190 1.655) 7.104 11.731 ( -1.329 -8.963 1.584) 9.199 11.867 ( -1.176 -5.768 -1.490) 6.072 11.956 ( -0.986 -9.510 6.688) 11.668 12.107 ( -11.574 0.581 2.256) 11.806 12.174 ( -5.290 -3.188 -5.459) 8.243 12.603 ( 4.768 0.199 -3.152) 5.720 12.746 ( 4.433 1.088 1.353) 4.761 12.803 ( -1.385 3.074 -3.283) 4.706 13.109 ( 0.279 -4.694 -5.958) 7.590 13.138 ( -0.254 -0.375 6.275) 6.292 13.362 ( 0.029 -2.902 6.168) 6.817 13.407 ( -1.471 4.396 0.850) 4.712 13.573 ( -2.530 2.228 -0.869) 3.482 13.593 ( -1.769 5.709 3.489) 6.921 13.724 ( 4.866 -3.148 -1.669) 6.031 13.757 ( 0.222 2.705 -0.737) 2.812 13.969 ( -6.504 -3.466 -6.448) 9.793 14.071 ( 2.191 0.914 0.046) 2.375 14.159 ( 3.543 -1.095 3.979) 5.439 14.286 ( 3.372 4.963 -3.394) 6.894 14.352 ( -2.053 -3.315 -1.181) 4.074 14.515 ( -5.052 -3.086 -5.272) 7.927 14.671 ( -0.692 -0.475 -1.058) 1.350 14.853 ( 1.222 2.575 3.505) 4.518 14.928 ( 2.384 5.681 0.228) 6.165 14.992 ( 5.520 3.288 3.822) 7.476 15.027 ( 0.392 -6.222 -4.005) 7.409 15.422 ( 5.367 7.178 -5.567) 10.551 15.484 ( -3.447 -9.291 0.897) 9.950 15.787 ( 1.107 -1.695 3.249) 3.828 16.052 ( 2.717 -0.530 3.814) 4.712 16.209 ( -8.016 -8.041 2.160) 11.558 16.461 ( -3.450 4.374 -4.805) 7.357 16.607 ( 1.151 -1.937 -7.764) 8.084 16.765 ( -8.119 -2.494 6.576) 10.742 17.170 ( -2.685 -4.207 0.683) 5.038 17.322 ( 6.185 6.538 6.915) 11.350 18.054 ( 1.154 -2.825 -4.282) 5.259 18.649 ( 1.783 7.041 0.747) 7.302 18.682 ( 8.087 8.116 0.093) 11.458 18.876 ( 4.942 3.624 0.740) 6.173 19.957 ( 1.050 2.430 0.292) 2.663 20.072 ( 0.787 0.773 -0.509) 1.215 ======================= Grid point 15 (10/58) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( 6.717 14.229 -0.809) 15.756 3.172 ( -4.465 4.454 1.332) 6.446 3.355 ( 15.526 13.534 -1.785) 20.674 3.728 ( 12.892 7.431 -0.000) 14.880 3.790 ( -4.773 -1.132 1.073) 5.021 3.956 ( -7.024 -3.769 -0.276) 7.976 4.062 ( -11.229 -8.234 -0.126) 13.925 4.155 ( -0.418 -1.158 -0.286) 1.264 4.410 ( 13.296 1.581 0.164) 13.391 4.645 ( -3.422 -9.626 -0.867) 10.253 4.926 ( -7.632 2.612 -0.618) 8.091 5.198 ( -0.117 -1.407 -1.666) 2.184 6.412 ( 0.122 -6.880 1.832) 7.120 6.603 ( 9.319 2.229 -0.765) 9.612 6.887 ( 2.967 0.887 -2.229) 3.815 7.037 ( -5.669 -6.351 -1.586) 8.660 7.143 ( -3.559 0.630 -0.148) 3.617 7.419 ( 1.090 -4.127 -2.975) 5.203 7.523 ( -3.823 -4.660 4.680) 7.631 7.572 ( -2.109 -4.281 3.242) 5.769 7.993 ( 9.955 -2.533 4.901) 11.381 8.094 ( 7.677 4.706 0.902) 9.050 8.253 ( -2.939 -3.367 0.074) 4.470 8.363 ( -2.496 1.563 -1.147) 3.160 8.624 ( 2.058 1.052 3.563) 4.246 8.902 ( 2.323 -3.798 -6.515) 7.891 9.087 ( -5.078 8.565 4.966) 11.126 9.205 ( -4.325 9.296 -1.631) 10.382 9.702 ( -0.612 5.629 2.042) 6.019 9.828 ( -0.668 2.134 -9.931) 10.180 9.884 ( 0.991 3.847 -2.248) 4.564 10.160 ( -1.661 -0.600 1.806) 2.526 10.286 ( -2.345 6.065 -0.102) 6.503 10.298 ( -2.064 1.354 -1.693) 2.993 10.508 ( -0.418 3.823 1.870) 4.276 10.852 ( -4.070 -3.098 -3.629) 6.272 11.028 ( 3.839 -4.945 -1.982) 6.566 11.081 ( 1.965 -7.115 6.157) 9.612 11.328 ( -0.374 9.381 3.434) 9.997 11.523 ( -0.447 -5.373 -1.899) 5.716 11.592 ( 2.274 -9.742 1.114) 10.065 11.621 ( 4.770 2.566 -1.882) 5.734 11.695 ( -8.026 -4.874 6.586) 11.469 11.770 ( -1.212 -5.823 -0.968) 6.026 12.061 ( -4.263 -1.230 2.296) 4.996 12.145 ( 3.325 -0.232 2.904) 4.421 12.729 ( 3.865 5.392 -1.969) 6.920 12.786 ( -1.316 2.832 -4.269) 5.290 12.818 ( 2.946 0.362 0.280) 2.981 12.978 ( -6.348 -7.083 -4.127) 10.368 13.198 ( 5.246 -2.041 -3.443) 6.599 13.314 ( -0.503 -3.467 3.336) 4.837 13.416 ( -1.632 3.396 4.882) 6.167 13.557 ( 0.637 -2.465 -2.022) 3.251 13.599 ( -3.797 6.397 6.632) 9.966 13.739 ( -2.402 5.829 -3.901) 7.414 13.811 ( -1.970 2.646 -1.229) 3.520 13.873 ( -1.974 -0.029 -5.667) 6.001 14.142 ( 3.083 3.545 3.800) 6.042 14.187 ( 2.016 -1.867 5.281) 5.953 14.307 ( -0.356 -0.160 -1.829) 1.871 14.364 ( 0.485 -2.888 0.452) 2.964 14.453 ( 2.070 -1.815 -6.948) 7.474 14.691 ( 5.103 -3.427 -1.788) 6.402 14.810 ( -3.777 -4.696 0.867) 6.088 14.947 ( -3.095 3.669 4.999) 6.931 15.032 ( 1.016 7.822 -2.677) 8.329 15.097 ( 5.141 -5.779 -2.033) 7.998 15.293 ( -3.152 -9.877 -5.860) 11.909 15.665 ( 4.780 9.422 3.347) 11.083 15.806 ( 4.388 -1.352 -0.488) 4.618 16.025 ( -2.417 -3.567 1.803) 4.671 16.064 ( 0.346 -3.919 2.671) 4.755 16.336 ( -11.661 -0.508 1.359) 11.751 16.562 ( 0.071 0.372 -3.281) 3.303 16.740 ( 0.717 1.514 -2.153) 2.728 17.117 ( -0.257 -1.692 1.532) 2.296 17.463 ( 2.535 3.351 8.586) 9.559 18.050 ( 1.793 -3.192 -4.924) 6.136 18.719 ( -1.380 5.834 0.584) 6.024 18.848 ( 3.194 3.512 -0.035) 4.747 18.953 ( 1.052 1.257 0.112) 1.643 20.008 ( 1.343 2.495 0.218) 2.842 20.068 ( -1.117 -0.481 -0.628) 1.368 ======================= Grid point 23 (11/58) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.397 ( 14.380 24.906 -2.983) 28.914 2.658 ( 16.460 28.509 -4.522) 33.229 3.214 ( 4.691 8.126 2.326) 9.667 3.358 ( 5.214 9.030 0.756) 10.455 3.775 ( 14.303 24.774 0.960) 28.622 3.889 ( -2.070 -3.585 1.440) 4.383 4.168 ( -2.385 -4.131 -0.334) 4.782 4.221 ( -2.695 -4.668 -1.336) 5.554 4.591 ( -8.168 -14.147 2.843) 16.581 4.762 ( -5.523 -9.566 0.236) 11.049 5.122 ( -2.683 -4.646 -4.559) 7.040 5.244 ( -1.836 -3.180 -0.486) 3.704 6.263 ( 6.770 11.726 3.036) 13.876 6.432 ( -2.069 -3.584 1.045) 4.268 6.924 ( 0.380 0.658 -6.546) 6.590 7.118 ( -1.348 -2.334 6.676) 7.200 7.330 ( -1.391 -2.410 -7.058) 7.586 7.431 ( -4.257 -7.374 -6.177) 10.520 7.609 ( -0.084 -0.146 10.162) 10.163 7.724 ( -2.367 -4.099 -0.051) 4.734 7.753 ( 0.313 0.542 2.886) 2.953 7.995 ( -4.984 -8.632 -0.856) 10.004 8.237 ( 5.304 9.188 4.785) 11.638 8.414 ( -3.378 -5.851 3.416) 7.570 8.575 ( 1.855 3.213 -0.891) 3.816 8.731 ( 0.320 0.555 -8.522) 8.546 9.068 ( 3.477 6.023 6.162) 9.291 9.432 ( 3.127 5.416 -1.841) 6.519 9.526 ( 2.579 4.466 4.185) 6.642 9.787 ( 1.290 2.235 -8.997) 9.359 9.863 ( 4.147 7.184 -0.806) 8.334 10.138 ( 1.824 3.159 -4.624) 5.889 10.341 ( -2.517 -4.360 2.807) 5.764 10.415 ( -1.875 -3.248 -4.420) 5.797 10.573 ( -1.171 -2.028 1.150) 2.609 10.947 ( 0.767 1.329 8.738) 8.872 11.012 ( 2.112 3.658 0.426) 4.246 11.033 ( -4.340 -7.517 -3.802) 9.476 11.340 ( 2.411 4.176 0.103) 4.823 11.379 ( -1.737 -3.008 -0.377) 3.494 11.669 ( -1.703 -2.950 4.179) 5.391 11.759 ( -6.784 -11.751 -4.591) 14.324 11.854 ( -4.478 -7.757 -3.101) 9.478 11.857 ( -1.984 -3.437 14.977) 15.494 12.200 ( -2.182 -3.779 -9.311) 10.283 12.299 ( -6.487 -11.236 6.457) 14.492 12.477 ( 1.268 2.196 -9.958) 10.276 12.706 ( 3.621 6.271 8.620) 11.258 12.864 ( -0.019 -0.033 -7.815) 7.815 13.038 ( -2.090 -3.620 -5.286) 6.739 13.156 ( 0.345 0.597 8.519) 8.547 13.393 ( -0.777 -1.346 9.556) 9.681 13.492 ( 3.200 5.543 0.106) 6.401 13.550 ( 1.014 1.757 1.339) 2.431 13.644 ( -4.086 -7.078 -5.210) 9.692 13.661 ( 4.945 8.566 5.926) 11.530 13.752 ( 1.201 2.081 0.472) 2.448 14.009 ( -3.469 -6.009 -4.049) 8.033 14.064 ( 1.015 1.758 -5.683) 6.034 14.103 ( 0.196 0.339 -0.756) 0.852 14.261 ( 2.992 5.182 -10.181) 11.809 14.364 ( -1.321 -2.288 2.179) 3.425 14.595 ( -4.110 -7.119 1.547) 8.365 14.654 ( -3.070 -5.317 -6.553) 8.979 14.847 ( 0.338 0.586 -3.369) 3.436 14.918 ( 2.715 4.703 7.749) 9.462 14.922 ( 3.893 6.743 -1.455) 7.921 15.075 ( 2.319 4.017 0.635) 4.682 15.365 ( -0.217 -0.376 6.285) 6.300 15.471 ( -2.539 -4.398 -10.349) 11.528 15.767 ( -1.083 -1.876 4.690) 5.166 16.012 ( 1.154 1.998 5.241) 5.726 16.259 ( -5.869 -10.165 0.885) 11.771 16.488 ( 2.109 3.654 -1.387) 4.441 16.603 ( 1.451 2.513 -13.804) 14.106 16.843 ( -5.685 -9.847 9.027) 14.517 17.165 ( -2.370 -4.106 0.061) 4.741 17.303 ( 4.073 7.054 9.663) 12.638 18.021 ( -1.331 -2.306 -5.880) 6.454 18.642 ( 6.089 10.546 -0.595) 12.192 18.692 ( 4.491 7.778 1.641) 9.130 18.841 ( 3.357 5.815 1.456) 6.870 19.964 ( 1.075 1.861 0.272) 2.166 20.067 ( 1.012 1.752 -0.580) 2.105 ======================= Grid point 24 (12/58) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.858 ( 9.786 21.303 -1.393) 23.484 3.213 ( 15.567 19.626 -3.900) 25.352 3.334 ( -1.439 9.312 2.008) 9.634 3.578 ( 10.966 6.428 2.886) 13.034 3.834 ( -1.633 -0.955 0.768) 2.041 4.049 ( -5.926 -3.571 -2.090) 7.227 4.106 ( 2.337 1.113 0.510) 2.638 4.135 ( -1.363 -4.143 -2.950) 5.265 4.296 ( -5.917 -10.902 3.882) 12.998 4.609 ( -1.996 -6.033 -1.540) 6.539 5.037 ( -3.372 -0.355 -3.366) 4.777 5.187 ( -1.049 -2.454 -1.205) 2.928 6.337 ( -1.427 -7.670 2.784) 8.284 6.486 ( 7.151 5.638 0.152) 9.108 6.882 ( -1.600 -0.581 -5.827) 6.071 7.028 ( -2.052 -7.888 0.875) 8.197 7.226 ( -6.088 -0.479 -3.513) 7.045 7.334 ( 2.177 -5.902 -4.764) 7.891 7.528 ( -4.482 -8.102 11.679) 14.905 7.570 ( -4.718 -8.385 3.586) 10.268 7.858 ( 5.307 3.239 5.161) 8.080 8.030 ( 6.809 8.478 1.750) 11.014 8.269 ( -4.303 -6.391 1.419) 7.834 8.400 ( 1.857 4.547 -0.985) 5.010 8.616 ( 0.677 2.194 2.607) 3.474 8.762 ( 4.065 -3.655 -9.401) 10.875 9.238 ( 2.840 12.328 5.942) 13.977 9.447 ( -8.413 10.343 -0.339) 13.337 9.658 ( 9.092 1.191 1.176) 9.245 9.882 ( 0.126 5.258 -9.172) 10.573 9.978 ( -1.376 9.241 -3.534) 9.989 10.164 ( 0.775 -1.151 -3.389) 3.662 10.333 ( 0.885 4.090 0.854) 4.271 10.382 ( -1.040 3.397 -3.368) 4.895 10.566 ( -1.193 4.198 1.987) 4.795 10.881 ( -3.116 -7.763 -1.304) 8.466 10.923 ( 0.774 -7.678 6.801) 10.286 10.995 ( -2.318 -4.491 -1.698) 5.331 11.389 ( 2.114 2.494 3.809) 5.020 11.469 ( -5.804 -13.689 -0.236) 14.871 11.484 ( -3.166 -5.654 1.360) 6.622 11.550 ( 7.600 5.614 0.340) 9.455 11.735 ( -2.061 -5.611 -5.506) 8.127 11.801 ( -5.172 -2.429 13.353) 14.524 12.089 ( -4.031 -4.907 7.201) 9.602 12.146 ( -2.885 -1.762 -3.971) 5.215 12.586 ( 8.268 -1.355 -6.783) 10.780 12.806 ( 1.028 3.976 4.775) 6.298 12.861 ( -2.236 2.957 -5.108) 6.312 12.986 ( 0.907 -5.284 -10.509) 11.798 13.175 ( -0.457 4.258 6.224) 7.555 13.350 ( -3.029 1.065 5.691) 6.535 13.515 ( -3.231 3.355 4.964) 6.807 13.535 ( -2.095 -3.026 -3.702) 5.220 13.632 ( 3.175 1.159 1.790) 3.825 13.797 ( 3.383 1.375 2.612) 4.490 13.852 ( 0.567 6.902 0.794) 6.970 13.894 ( -1.488 -1.584 -7.940) 8.232 14.102 ( 1.852 1.752 -2.426) 3.519 14.137 ( 1.732 1.484 0.812) 2.420 14.305 ( -1.409 -1.899 0.596) 2.438 14.374 ( 4.359 2.849 -6.899) 8.643 14.436 ( -6.018 -4.697 -3.239) 8.293 14.537 ( 1.599 -11.138 -5.205) 12.397 14.818 ( -1.870 -3.458 -4.164) 5.726 14.961 ( 1.438 -2.631 4.597) 5.489 15.027 ( 3.108 2.997 2.197) 4.844 15.135 ( -6.066 10.136 4.001) 12.471 15.307 ( -2.557 -5.821 1.202) 6.470 15.562 ( 11.602 6.164 -6.353) 14.593 15.720 ( 0.048 -5.122 6.772) 8.491 16.023 ( -0.408 -1.661 1.074) 2.020 16.082 ( -3.878 -2.834 -0.724) 4.857 16.489 ( -9.565 -11.219 3.218) 15.090 16.605 ( -1.748 7.738 -7.349) 10.814 16.716 ( 3.696 0.583 -0.873) 3.843 17.104 ( -1.211 -3.012 0.751) 3.332 17.451 ( 3.611 5.310 14.687) 16.029 17.986 ( 0.676 -3.215 -7.572) 8.255 18.800 ( 1.579 6.878 0.317) 7.064 18.840 ( 2.720 6.988 -0.032) 7.499 18.935 ( 2.685 1.921 0.773) 3.391 20.008 ( 1.402 2.316 -0.323) 2.727 20.083 ( -0.492 0.163 -0.441) 0.680 ======================= Grid point 25 (13/58) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.101 ( -7.133 12.354 -0.947) 14.297 3.304 ( -4.776 8.272 2.103) 9.780 3.562 ( -2.796 4.842 -2.872) 6.286 3.796 ( -0.864 1.496 3.753) 4.132 3.866 ( 1.967 -3.407 0.622) 3.983 3.878 ( -0.793 1.374 -0.473) 1.656 3.922 ( -0.330 0.572 -1.184) 1.356 4.120 ( 1.514 -2.622 -0.566) 3.080 4.241 ( 7.357 -12.743 0.905) 14.743 4.572 ( 0.535 -0.927 -5.641) 5.741 5.006 ( -2.529 4.380 -0.217) 5.062 5.165 ( 1.019 -1.766 -2.247) 3.034 6.274 ( 3.313 -5.738 3.077) 7.305 6.586 ( 1.475 -2.555 -2.505) 3.870 6.892 ( 0.448 -0.776 -2.811) 2.950 6.931 ( 1.837 -3.181 -5.148) 6.324 7.179 ( -1.735 3.005 0.843) 3.571 7.347 ( 2.152 -3.727 -6.226) 7.568 7.403 ( 2.771 -4.799 12.739) 13.892 7.472 ( 2.876 -4.982 5.480) 7.945 7.949 ( 0.626 -1.084 7.520) 7.624 8.124 ( 1.623 -2.811 11.477) 11.927 8.237 ( -1.546 2.677 -9.565) 10.053 8.398 ( -1.027 1.778 -4.429) 4.882 8.646 ( -0.625 1.083 5.582) 5.720 8.780 ( 3.429 -5.940 -9.774) 11.940 9.368 ( -7.950 13.769 5.741) 16.904 9.390 ( -4.797 8.309 1.059) 9.653 9.800 ( -1.456 2.522 2.951) 4.147 9.857 ( -0.748 1.296 -8.942) 9.066 10.008 ( -4.582 7.937 -5.472) 10.674 10.175 ( -0.534 0.924 -2.683) 2.888 10.361 ( -3.084 5.342 -5.290) 8.126 10.424 ( -3.419 5.922 0.344) 6.846 10.591 ( -1.715 2.970 2.936) 4.514 10.803 ( 0.860 -1.490 -3.386) 3.798 10.886 ( 6.150 -10.653 8.372) 14.879 10.913 ( 3.297 -5.710 -4.678) 8.084 11.340 ( 5.561 -9.631 0.335) 11.126 11.341 ( 6.609 -11.447 3.958) 13.798 11.535 ( -5.003 8.666 8.284) 12.991 11.655 ( -2.522 4.368 2.829) 5.783 11.671 ( 2.079 -3.600 -7.641) 8.699 11.739 ( -1.740 3.013 6.311) 7.206 12.048 ( 0.242 -0.420 1.635) 1.705 12.074 ( 3.441 -5.960 4.842) 8.415 12.676 ( 5.081 -8.801 -0.352) 10.168 12.839 ( -2.008 3.478 4.818) 6.272 12.850 ( -1.711 2.964 -6.966) 7.761 12.946 ( -0.228 0.395 -13.984) 13.991 13.213 ( -2.740 4.746 2.960) 6.229 13.324 ( -1.736 3.008 1.335) 3.721 13.495 ( -1.429 2.475 9.352) 9.779 13.506 ( 1.088 -1.884 -2.613) 3.400 13.664 ( -0.507 0.878 4.577) 4.688 13.796 ( -0.203 0.351 -5.745) 5.760 13.876 ( 1.885 -3.265 -4.860) 6.151 13.909 ( -3.899 6.754 -2.149) 8.090 14.134 ( 0.288 -0.499 -0.399) 0.701 14.213 ( -2.492 4.317 4.699) 6.851 14.298 ( 1.626 -2.817 -3.471) 4.757 14.306 ( 0.489 -0.847 -0.506) 1.101 14.440 ( 0.553 -0.958 -4.724) 4.852 14.500 ( 6.449 -11.170 -5.182) 13.900 14.758 ( 0.527 -0.913 -0.455) 1.148 14.951 ( 5.067 -8.777 -0.495) 10.147 15.103 ( -5.336 9.242 9.917) 14.568 15.117 ( 1.417 -2.454 0.041) 2.834 15.222 ( -4.285 7.422 -6.251) 10.608 15.671 ( 3.257 -5.641 8.936) 11.058 15.817 ( 0.752 -1.302 -6.932) 7.093 15.969 ( -0.151 0.262 -4.876) 4.886 16.055 ( -0.391 0.677 3.270) 3.362 16.260 ( 2.618 -4.535 9.287) 10.661 16.637 ( -2.550 4.417 -10.364) 11.551 16.777 ( -1.658 2.872 -1.180) 3.520 17.070 ( 1.769 -3.064 1.641) 3.900 17.513 ( -0.787 1.364 16.511) 16.586 17.976 ( 1.879 -3.254 -8.286) 9.098 18.849 ( -3.439 5.957 0.375) 6.889 18.901 ( -1.008 1.745 0.106) 2.018 18.971 ( -0.158 0.274 -0.129) 0.342 20.056 ( -0.748 1.295 0.219) 1.511 20.056 ( 0.005 -0.009 -1.078) 1.078 ======================= Grid point 35 (14/58) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.247 ( 8.667 15.013 -0.462) 17.341 3.440 ( 0.626 1.083 -0.026) 1.251 3.590 ( 6.891 11.936 -2.800) 14.064 3.714 ( 4.356 7.545 7.540) 11.522 3.829 ( 0.334 0.579 -0.588) 0.890 3.985 ( -1.373 -2.378 -2.452) 3.682 4.000 ( -5.212 -9.027 -1.223) 10.495 4.030 ( -4.039 -6.995 0.672) 8.105 4.066 ( -3.520 -6.096 1.680) 7.237 4.558 ( -0.445 -0.771 -7.622) 7.674 5.065 ( 1.395 2.415 -1.492) 3.163 5.137 ( -1.355 -2.348 -1.153) 2.946 6.209 ( -2.154 -3.731 3.531) 5.570 6.553 ( 0.688 1.192 -2.654) 2.990 6.872 ( -0.013 -0.022 -6.034) 6.034 6.905 ( -2.157 -3.736 -3.073) 5.296 7.247 ( 1.713 2.966 4.890) 5.970 7.265 ( -0.299 -0.517 -9.502) 9.521 7.378 ( -2.787 -4.828 15.628) 16.592 7.397 ( -4.408 -7.636 4.217) 9.773 7.941 ( 2.703 4.683 8.090) 9.731 8.083 ( -3.397 -5.883 11.303) 13.187 8.271 ( 4.669 8.088 -8.499) 12.627 8.420 ( -1.611 -2.789 -6.358) 7.127 8.659 ( 0.874 1.513 5.597) 5.863 8.712 ( -0.647 -1.120 -10.441) 10.521 9.464 ( 4.681 8.107 4.670) 10.461 9.557 ( -0.199 -0.345 4.461) 4.479 9.780 ( 5.444 9.429 -1.160) 10.949 9.914 ( -1.259 -2.180 -5.476) 6.027 10.126 ( 2.349 4.069 -5.718) 7.400 10.169 ( 0.657 1.138 -6.020) 6.162 10.469 ( 2.714 4.701 -4.475) 7.035 10.472 ( 3.900 6.755 -1.000) 7.864 10.665 ( 2.458 4.257 3.117) 5.820 10.668 ( -4.677 -8.101 6.546) 11.418 10.794 ( -3.163 -5.479 3.304) 7.137 10.859 ( -4.214 -7.300 -8.311) 11.837 11.210 ( -4.273 -7.401 3.802) 9.354 11.223 ( -4.489 -7.774 0.564) 8.995 11.621 ( 6.108 10.579 6.555) 13.863 11.623 ( -1.317 -2.282 -7.558) 8.004 11.768 ( 4.113 7.123 8.748) 12.007 11.783 ( -1.066 -1.846 13.237) 13.408 11.945 ( -2.873 -4.977 -0.911) 5.819 12.053 ( -4.021 -6.965 -1.845) 8.252 12.575 ( 0.016 0.028 0.026) 0.042 12.873 ( 1.429 2.475 2.495) 3.794 12.907 ( 0.171 0.296 -4.286) 4.300 12.922 ( -0.488 -0.846 -12.770) 12.807 13.302 ( 4.087 7.079 4.115) 9.151 13.381 ( 0.696 1.205 2.233) 2.631 13.483 ( -0.741 -1.283 -2.861) 3.222 13.485 ( -2.722 -4.714 5.763) 7.927 13.701 ( 1.582 2.740 7.895) 8.505 13.769 ( -0.928 -1.608 8.985) 9.175 13.819 ( -1.125 -1.949 -19.868) 19.995 14.024 ( 2.712 4.698 -3.218) 6.307 14.120 ( 0.673 1.165 -7.944) 8.057 14.216 ( -2.781 -4.816 -4.484) 7.144 14.269 ( 2.837 4.914 0.814) 5.732 14.353 ( -0.227 -0.394 2.822) 2.859 14.364 ( -1.682 -2.914 -2.035) 3.932 14.423 ( 0.332 0.575 -3.539) 3.600 14.762 ( -1.285 -2.225 -2.970) 3.927 14.808 ( -4.673 -8.094 2.099) 9.579 15.099 ( 2.460 4.261 2.800) 5.661 15.198 ( -1.965 -3.403 4.686) 6.115 15.376 ( 3.723 6.448 1.638) 7.623 15.598 ( -1.996 -3.457 8.815) 9.677 15.736 ( 6.170 10.687 -8.385) 14.920 15.983 ( -2.844 -4.925 -7.453) 9.376 16.071 ( 0.867 1.503 2.859) 3.345 16.211 ( -6.964 -12.062 10.447) 17.410 16.681 ( 0.500 0.865 -14.955) 14.988 16.835 ( 4.538 7.860 2.261) 9.353 17.019 ( -3.041 -5.268 1.022) 6.168 17.524 ( 1.001 1.733 19.693) 19.794 17.940 ( -0.626 -1.084 -9.138) 9.223 18.909 ( 2.061 3.570 0.123) 4.124 18.949 ( 1.447 2.507 -0.742) 2.988 18.950 ( 0.033 0.058 0.651) 0.654 20.049 ( 0.941 1.630 -0.689) 2.005 20.076 ( -0.460 -0.797 -0.334) 0.979 ======================= Grid point 109 (15/58) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.765 ( 0.000 0.000 38.641) 38.641 0.765 ( 0.000 0.000 38.641) 38.641 1.246 ( 0.000 0.000 62.898) 62.898 2.605 ( 0.000 -0.000 -18.062) 18.062 2.605 ( 0.000 0.000 -18.062) 18.062 4.160 ( -0.000 0.000 -21.045) 21.045 4.362 ( -0.000 -0.000 0.879) 0.879 4.522 ( 0.000 0.000 -9.576) 9.576 5.302 ( 0.000 0.000 1.813) 1.813 5.302 ( 0.000 -0.000 1.813) 1.813 5.342 ( 0.000 -0.000 3.268) 3.268 5.342 ( 0.000 0.000 3.268) 3.268 5.723 ( 0.000 0.000 6.242) 6.242 5.723 ( -0.000 -0.000 6.242) 6.242 6.377 ( 0.000 0.000 -7.908) 7.908 6.377 ( -0.000 -0.000 -7.908) 7.908 7.465 ( 0.000 0.000 5.450) 5.450 7.465 ( -0.000 -0.000 5.450) 5.450 7.705 ( 0.000 -0.000 -0.849) 0.849 7.705 ( 0.000 -0.000 -0.849) 0.849 8.013 ( 0.000 0.000 3.154) 3.154 8.013 ( 0.000 0.000 3.154) 3.154 8.330 ( -0.000 -0.000 14.296) 14.296 8.726 ( 0.000 0.000 -13.098) 13.098 8.726 ( 0.000 -0.000 -13.098) 13.098 8.867 ( 0.000 0.000 6.451) 6.451 9.294 ( 0.000 0.000 -9.649) 9.649 9.365 ( 0.000 -0.000 13.155) 13.155 9.365 ( -0.000 0.000 13.155) 13.155 9.430 ( -0.000 0.000 -10.285) 10.285 10.122 ( -0.000 -0.000 13.765) 13.765 10.432 ( 0.000 0.000 -12.886) 12.886 10.432 ( -0.000 -0.000 -12.886) 12.886 10.787 ( 0.000 0.000 6.479) 6.479 10.787 ( -0.000 -0.000 6.479) 6.479 10.928 ( -0.000 -0.000 -8.541) 8.541 11.186 ( 0.000 -0.000 9.750) 9.750 11.186 ( 0.000 0.000 9.750) 9.750 11.376 ( 0.000 -0.000 -9.519) 9.519 11.376 ( -0.000 0.000 -9.519) 9.519 11.970 ( 0.000 0.000 -12.783) 12.783 11.970 ( -0.000 -0.000 -12.783) 12.783 12.064 ( 0.000 0.000 0.041) 0.041 12.169 ( -0.000 -0.000 4.555) 4.555 12.278 ( -0.000 -0.000 -6.532) 6.532 12.444 ( 0.000 0.000 -0.378) 0.378 12.809 ( 0.000 0.000 5.294) 5.294 12.809 ( 0.000 0.000 5.294) 5.294 12.949 ( 0.000 0.000 10.900) 10.900 12.949 ( -0.000 -0.000 10.900) 10.900 13.257 ( 0.000 0.000 2.114) 2.114 13.257 ( 0.000 -0.000 2.114) 2.114 13.417 ( 0.000 0.000 3.513) 3.513 13.627 ( -0.000 -0.000 -1.566) 1.566 13.842 ( 0.000 0.000 -7.904) 7.904 13.842 ( -0.000 -0.000 -7.904) 7.904 13.932 ( 0.000 0.000 2.357) 2.357 13.932 ( 0.000 -0.000 2.357) 2.357 14.141 ( 0.000 0.000 4.110) 4.110 14.141 ( 0.000 0.000 4.110) 4.110 14.280 ( 0.000 0.000 -3.608) 3.608 14.280 ( 0.000 -0.000 -3.608) 3.608 14.427 ( 0.000 -0.000 -1.161) 1.161 14.427 ( 0.000 -0.000 -1.161) 1.161 14.556 ( 0.000 0.000 2.129) 2.129 14.667 ( -0.000 0.000 -0.667) 0.667 14.830 ( -0.000 0.000 5.383) 5.383 15.357 ( 0.000 0.000 -7.572) 7.572 15.682 ( 0.000 0.000 3.168) 3.168 15.682 ( 0.000 -0.000 3.168) 3.168 15.889 ( -0.000 -0.000 2.527) 2.527 15.937 ( 0.000 0.000 -2.784) 2.784 15.937 ( 0.000 0.000 -2.784) 2.784 15.993 ( 0.000 0.000 -0.690) 0.690 16.723 ( -0.000 0.000 0.243) 0.243 16.739 ( 0.000 0.000 -0.127) 0.127 17.624 ( -0.000 -0.000 1.340) 1.340 17.745 ( 0.000 0.000 -1.506) 1.506 18.100 ( 0.000 0.000 2.046) 2.046 18.100 ( -0.000 -0.000 2.046) 2.046 18.277 ( 0.000 0.000 -2.122) 2.122 18.277 ( -0.000 -0.000 -2.122) 2.122 19.847 ( -0.000 -0.000 1.362) 1.362 19.956 ( 0.000 0.000 -1.193) 1.193 ======================= Grid point 110 (16/58) ======================= q-point: ( 0.10 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 24.555 11.810 21.153) 34.495 1.080 ( 23.967 3.529 29.765) 38.377 1.834 ( 35.378 27.060 42.361) 61.468 2.628 ( 3.374 3.106 -19.235) 19.774 2.707 ( 6.555 3.053 -15.821) 17.395 4.119 ( -3.189 -1.380 -15.880) 16.256 4.343 ( -1.552 -0.944 0.781) 1.978 4.473 ( -3.432 -2.100 -5.610) 6.904 5.227 ( -6.415 -2.803 2.656) 7.487 5.258 ( -4.145 -0.766 1.837) 4.598 5.331 ( -0.018 -3.219 1.132) 3.412 5.373 ( 0.226 0.384 -0.078) 0.452 5.771 ( 2.517 5.572 5.995) 8.563 5.923 ( 18.293 6.353 4.777) 19.945 6.387 ( 3.094 -2.797 -7.694) 8.752 6.648 ( 10.457 11.387 -18.374) 24.013 7.469 ( 0.994 -0.864 3.836) 4.055 7.512 ( 1.916 2.717 5.525) 6.448 7.712 ( 0.893 -0.620 -1.841) 2.138 7.752 ( 2.105 2.040 -1.366) 3.234 8.027 ( 2.334 -1.029 3.442) 4.285 8.042 ( 2.934 0.428 4.707) 5.563 8.307 ( -2.377 2.077 8.797) 9.346 8.624 ( -13.774 -6.207 5.799) 16.182 8.715 ( -1.835 -1.175 -8.524) 8.798 8.832 ( 7.487 0.491 -9.416) 12.040 9.133 ( -9.926 -4.216 -5.067) 11.916 9.266 ( -10.872 -7.726 -7.570) 15.336 9.399 ( 1.593 2.448 12.691) 13.023 9.550 ( 12.389 4.990 11.206) 17.435 9.944 ( -10.773 -4.068 12.377) 16.906 10.385 ( -7.384 4.595 -9.034) 12.540 10.508 ( 4.307 -0.993 -11.892) 12.687 10.677 ( -5.797 -11.586 -4.571) 13.738 10.811 ( -1.627 0.211 1.743) 2.394 10.827 ( -2.625 -2.418 1.087) 3.730 11.140 ( -5.315 -1.405 11.151) 12.433 11.256 ( 4.100 3.251 7.350) 9.022 11.306 ( -2.491 -0.640 -10.524) 10.834 11.401 ( -0.822 -0.923 -5.607) 5.742 11.582 ( -10.161 -4.079 7.282) 13.150 11.913 ( -0.721 -5.576 -7.643) 9.488 12.130 ( 5.240 2.318 -0.103) 5.731 12.230 ( -0.061 -0.220 -0.045) 0.233 12.246 ( -7.346 -4.601 0.133) 8.669 12.678 ( 7.692 0.913 -12.581) 14.774 12.757 ( -5.340 -9.815 10.744) 15.502 12.790 ( -2.105 5.581 4.025) 7.196 12.901 ( 5.270 3.697 2.005) 6.743 12.953 ( -7.296 2.406 5.050) 9.193 13.180 ( 1.159 -3.261 -2.608) 4.334 13.264 ( -1.286 4.582 5.105) 6.979 13.394 ( -0.877 1.247 -0.385) 1.572 13.546 ( -6.745 -3.310 -1.806) 7.727 13.731 ( -10.736 -2.617 -4.570) 11.958 13.839 ( 2.946 -5.514 -3.109) 6.982 13.930 ( 0.479 -2.190 2.107) 3.076 13.951 ( 2.138 -0.453 2.323) 3.189 14.096 ( 1.143 -2.928 2.143) 3.804 14.191 ( -0.290 4.079 1.009) 4.212 14.206 ( -3.927 -3.878 -0.063) 5.520 14.310 ( 6.137 7.888 4.586) 10.996 14.330 ( 0.951 2.238 -1.193) 2.708 14.484 ( 5.152 3.085 0.348) 6.015 14.661 ( 2.273 -2.560 0.955) 3.554 14.795 ( -3.424 -0.514 4.997) 6.079 14.864 ( 2.535 5.986 -9.147) 11.221 15.341 ( -1.601 -0.033 -8.580) 8.729 15.576 ( -10.843 -10.411 8.534) 17.286 15.673 ( -0.096 4.874 0.007) 4.875 15.744 ( -0.171 0.192 1.447) 1.470 15.834 ( 2.851 -5.612 2.483) 6.767 16.118 ( 14.575 -0.328 1.338) 14.640 16.293 ( 12.174 10.241 1.367) 15.967 16.701 ( -1.919 -1.360 0.221) 2.363 16.707 ( -3.645 -1.992 0.239) 4.161 17.618 ( -4.588 -2.104 4.417) 6.708 17.824 ( 0.763 -0.507 -3.216) 3.344 17.970 ( -5.831 0.969 4.300) 7.309 18.121 ( 2.747 -2.144 2.379) 4.219 18.293 ( 5.038 4.656 -6.031) 9.135 18.314 ( 1.296 4.895 -2.084) 5.476 19.878 ( 1.956 0.935 0.599) 2.249 19.914 ( -1.304 0.488 -0.024) 1.392 ======================= Grid point 111 (17/58) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 26.758 8.426 18.231) 33.457 1.659 ( 32.842 14.742 6.278) 36.542 2.769 ( 22.426 17.098 4.852) 28.615 2.790 ( 22.158 15.337 3.418) 27.164 2.881 ( 8.485 4.382 -15.055) 17.829 4.045 ( -3.431 -0.859 -5.149) 6.247 4.290 ( -2.748 -1.730 0.501) 3.286 4.380 ( -4.025 -2.748 -1.910) 5.235 5.023 ( -11.546 -5.355 3.426) 13.180 5.151 ( -6.294 -1.841 2.098) 6.885 5.255 ( -3.204 -5.734 -0.690) 6.605 5.341 ( -2.579 -1.776 -1.463) 3.456 5.930 ( 7.226 8.554 5.433) 12.446 6.383 ( 13.435 5.265 -3.201) 14.780 6.464 ( 14.846 3.030 -3.113) 15.468 6.873 ( 4.752 8.857 -9.827) 14.057 7.466 ( 0.585 -3.405 1.270) 3.681 7.540 ( -1.179 0.156 5.777) 5.898 7.692 ( -1.995 -2.182 -5.593) 6.327 7.788 ( -0.093 2.058 -0.033) 2.060 7.988 ( -4.764 -4.249 -0.551) 6.407 8.135 ( 0.768 -1.549 5.703) 5.959 8.266 ( -3.078 3.529 8.134) 9.386 8.418 ( 1.813 -1.747 8.224) 8.601 8.681 ( -4.859 2.415 -7.317) 9.109 8.822 ( -7.534 -9.796 -3.383) 12.813 9.011 ( -3.454 0.482 -6.280) 7.183 9.090 ( 5.138 -0.111 -7.143) 8.800 9.462 ( 1.701 3.759 11.083) 11.826 9.691 ( -4.134 -2.997 6.901) 8.584 9.878 ( 9.548 4.956 8.852) 13.931 10.186 ( -14.499 -3.833 -5.395) 15.938 10.437 ( -3.079 -5.802 -14.280) 15.719 10.568 ( -2.539 -3.373 -1.316) 4.422 10.724 ( -2.211 -6.101 3.178) 7.225 10.835 ( 2.050 2.326 -0.963) 3.246 10.990 ( -7.570 -0.688 9.029) 11.803 11.214 ( -3.827 -2.033 -4.162) 6.008 11.334 ( -3.057 -1.061 -3.550) 4.804 11.448 ( 7.049 3.789 0.723) 8.035 11.549 ( 2.449 4.657 0.921) 5.342 11.855 ( 0.050 -4.858 -5.323) 7.207 11.972 ( -10.438 -5.846 -0.877) 11.996 12.131 ( -5.817 -5.239 -0.441) 7.840 12.318 ( 3.114 2.807 1.758) 4.546 12.597 ( -2.314 -5.794 1.010) 6.321 12.657 ( -0.450 -4.929 6.874) 8.471 12.710 ( -15.923 -2.343 -2.135) 16.236 12.872 ( 1.394 1.444 0.387) 2.044 13.070 ( 2.638 5.658 -5.531) 8.341 13.163 ( -1.187 0.100 -1.660) 2.043 13.322 ( -0.066 4.773 -2.891) 5.581 13.384 ( 0.387 -0.308 1.523) 1.601 13.476 ( -1.432 -0.616 -2.969) 3.354 13.504 ( -5.949 3.298 2.388) 7.209 13.782 ( -4.003 -6.003 5.143) 8.861 13.895 ( 3.152 -8.761 -4.806) 10.478 14.012 ( 2.287 4.006 1.272) 4.785 14.106 ( -0.110 -3.423 0.987) 3.564 14.173 ( 6.028 -1.302 2.257) 6.567 14.187 ( -3.354 -1.845 -0.749) 3.901 14.389 ( 3.179 2.313 -0.930) 4.040 14.564 ( 9.529 9.543 0.247) 13.489 14.614 ( 1.932 5.639 2.363) 6.412 14.676 ( 1.310 -3.152 1.527) 3.739 14.749 ( -2.280 4.685 1.585) 5.446 14.892 ( 0.617 1.937 0.037) 2.033 15.270 ( -3.993 -7.305 -1.293) 8.425 15.319 ( -5.114 -8.778 4.899) 11.278 15.734 ( 1.522 -0.690 0.285) 1.696 15.765 ( 1.613 3.050 -0.624) 3.506 15.865 ( 2.657 3.621 0.256) 4.499 16.340 ( 9.047 -2.426 1.558) 9.495 16.540 ( -1.610 -0.526 -2.479) 3.002 16.639 ( -1.486 -3.186 1.135) 3.694 16.672 ( 6.681 9.357 1.219) 11.562 17.425 ( -12.865 -3.895 4.443) 14.157 17.534 ( -14.581 -7.496 0.279) 16.397 18.109 ( 3.936 -1.929 2.853) 5.230 18.219 ( 12.314 7.093 1.966) 14.346 18.399 ( 3.465 5.079 -2.252) 6.547 18.533 ( 10.053 8.491 -4.874) 14.032 19.890 ( -0.140 0.970 -0.364) 1.045 19.963 ( 3.201 1.504 -1.740) 3.942 ======================= Grid point 112 (18/58) ======================= q-point: ( 0.30 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 23.560 9.892 10.832) 27.754 2.387 ( 31.263 14.438 1.271) 34.459 2.985 ( 6.324 5.867 -9.048) 12.502 3.102 ( 10.896 6.570 -16.322) 20.695 3.604 ( 28.778 18.128 11.848) 36.017 3.981 ( -3.074 -0.559 2.896) 4.260 4.208 ( -4.218 -2.576 0.482) 4.966 4.279 ( -3.756 -2.931 0.673) 4.812 4.725 ( -14.311 -6.451 5.350) 16.584 5.008 ( -7.443 -1.467 2.291) 7.925 5.108 ( -4.997 -8.366 -1.731) 9.898 5.263 ( -3.263 -2.407 -2.002) 4.522 6.189 ( 10.713 9.659 2.889) 14.711 6.482 ( 2.894 0.965 -4.679) 5.586 6.823 ( 9.204 1.331 -1.499) 9.419 7.030 ( 3.809 5.805 -4.450) 8.247 7.372 ( -5.933 -5.610 3.717) 8.971 7.540 ( 4.131 -1.360 2.903) 5.229 7.660 ( 0.740 -0.962 -4.533) 4.693 7.731 ( -6.728 -0.385 -2.588) 7.219 7.830 ( -4.926 -0.422 2.847) 5.705 8.040 ( -5.211 -1.945 -0.645) 5.599 8.368 ( 2.539 2.429 8.342) 9.052 8.396 ( -6.665 -1.043 2.250) 7.111 8.554 ( 1.393 0.973 0.375) 1.740 8.822 ( 8.060 -3.829 -3.408) 9.552 8.953 ( -2.124 4.599 -3.277) 6.033 9.220 ( 2.097 1.974 -0.902) 3.018 9.543 ( 1.255 6.122 2.501) 6.731 9.616 ( 2.673 -4.820 3.729) 6.654 9.934 ( -5.280 -6.319 -4.923) 9.594 10.114 ( 9.345 3.913 8.166) 13.012 10.322 ( -6.021 -1.239 -6.761) 9.138 10.448 ( -4.591 -4.834 2.159) 7.008 10.621 ( -2.887 -4.970 3.450) 6.704 10.819 ( -4.759 2.671 -1.153) 5.578 11.024 ( 7.193 1.138 -3.739) 8.186 11.108 ( -4.547 -1.466 0.267) 4.785 11.272 ( -2.785 0.310 -2.865) 4.007 11.494 ( -4.005 -3.510 -0.417) 5.342 11.661 ( 0.428 5.664 -1.252) 5.816 11.825 ( 0.790 0.898 -7.517) 7.612 11.864 ( 1.123 -0.699 1.775) 2.214 11.953 ( -4.980 -3.391 -0.269) 6.031 12.187 ( -11.084 -10.362 -2.337) 15.352 12.296 ( -18.896 -8.097 -3.248) 20.812 12.582 ( 1.858 2.162 1.285) 3.127 12.722 ( 6.549 -1.072 0.211) 6.640 12.903 ( 1.641 -0.801 6.792) 7.033 13.108 ( -0.121 -0.482 -0.266) 0.563 13.141 ( -4.197 5.187 -3.824) 7.690 13.341 ( 1.369 1.151 -1.551) 2.367 13.413 ( -1.004 4.377 2.366) 5.076 13.510 ( -0.129 6.470 0.883) 6.532 13.558 ( 3.060 4.478 -5.707) 7.873 13.656 ( 0.022 -8.221 6.325) 10.373 13.825 ( 0.674 -10.122 -5.177) 11.389 13.995 ( -5.823 -5.502 -0.886) 8.060 14.080 ( -0.012 3.007 3.213) 4.401 14.188 ( 0.263 4.540 -0.548) 4.580 14.247 ( 4.556 0.429 5.173) 6.907 14.495 ( 6.833 -4.865 0.768) 8.424 14.549 ( -5.024 -4.213 3.208) 7.300 14.635 ( -1.009 -0.455 -1.258) 1.676 14.778 ( 1.493 4.988 3.413) 6.225 14.862 ( 5.084 11.697 -3.751) 13.295 14.974 ( 4.125 2.051 5.922) 7.503 15.162 ( 2.859 -9.209 -6.052) 11.385 15.186 ( -2.788 -2.631 1.994) 4.321 15.733 ( -3.164 -2.740 4.310) 6.008 15.770 ( 1.415 1.795 -0.783) 2.416 16.007 ( 2.641 8.852 -2.808) 9.655 16.293 ( -7.107 -5.423 -0.975) 8.992 16.426 ( -5.677 -6.096 -3.789) 9.151 16.652 ( 7.303 -4.587 4.265) 9.621 16.854 ( -2.938 6.657 2.952) 7.852 17.212 ( -3.176 0.799 0.338) 3.292 17.283 ( -8.417 -1.562 0.289) 8.566 18.135 ( 3.086 -2.996 4.985) 6.584 18.496 ( 5.942 5.481 -3.218) 8.701 18.557 ( 10.572 5.960 2.168) 12.328 18.771 ( 7.669 5.924 -2.340) 9.969 19.909 ( 0.976 1.309 -0.796) 1.816 20.023 ( 2.056 0.496 -2.842) 3.543 ======================= Grid point 113 (19/58) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.614 ( 16.536 7.793 5.674) 19.141 3.027 ( 21.926 10.422 -1.309) 24.312 3.096 ( 3.755 3.957 -4.742) 7.228 3.394 ( 12.459 7.670 -12.900) 19.506 3.913 ( -3.742 -1.457 3.926) 5.616 4.014 ( -4.032 -3.008 -2.168) 5.478 4.162 ( 3.112 2.166 3.384) 5.082 4.200 ( 0.654 -1.140 2.911) 3.193 4.470 ( -3.814 0.133 10.303) 10.987 4.871 ( -7.409 1.266 2.921) 8.064 4.914 ( -5.491 -10.734 -1.028) 12.101 5.193 ( -1.522 -2.326 -2.945) 4.050 6.474 ( 8.259 6.223 -1.603) 10.465 6.500 ( -0.236 1.308 -1.411) 1.939 6.870 ( 2.669 -1.835 0.398) 3.263 7.059 ( -3.510 -1.495 -5.320) 6.547 7.216 ( -3.638 -4.947 4.537) 7.635 7.531 ( -6.609 -0.412 -3.923) 7.697 7.564 ( -1.787 -6.099 3.868) 7.440 7.658 ( -7.200 1.120 0.799) 7.330 7.950 ( 9.337 8.925 -0.773) 12.939 7.992 ( 4.750 2.626 -2.244) 5.873 8.357 ( -3.176 3.330 4.133) 6.185 8.376 ( 0.327 -1.161 4.237) 4.405 8.597 ( 0.129 2.835 0.072) 2.839 8.875 ( 1.716 -5.121 -5.452) 7.674 9.049 ( 3.640 5.645 3.106) 7.400 9.201 ( -1.007 -1.702 7.454) 7.711 9.576 ( -0.793 2.758 -3.882) 4.827 9.689 ( 7.505 -6.653 -5.868) 11.620 9.887 ( 3.211 -1.098 2.262) 4.079 10.202 ( -6.646 2.513 0.479) 7.121 10.265 ( 3.976 -0.166 6.580) 7.690 10.357 ( -0.264 -3.656 3.064) 4.777 10.537 ( -3.575 0.293 5.901) 6.906 10.786 ( -0.443 -1.968 -10.672) 10.861 10.994 ( -0.865 -0.994 -3.420) 3.665 11.186 ( 0.858 6.282 0.578) 6.367 11.216 ( -4.311 -2.336 -3.994) 6.324 11.407 ( 1.593 -1.932 -7.259) 7.678 11.654 ( -2.257 -0.171 3.586) 4.240 11.752 ( -3.554 -4.705 0.866) 5.960 11.802 ( -10.803 -1.621 -3.881) 11.593 11.893 ( -10.590 0.132 -0.547) 10.605 11.980 ( 0.310 2.582 -6.254) 6.773 12.085 ( 3.806 -1.236 -2.940) 4.965 12.655 ( 3.860 1.191 2.663) 4.839 12.785 ( 2.229 -1.961 0.535) 3.016 12.895 ( 0.184 -2.845 6.651) 7.236 13.065 ( -2.876 -2.175 -0.502) 3.641 13.160 ( 1.863 1.624 -3.539) 4.317 13.386 ( 0.791 2.199 -0.004) 2.336 13.427 ( -3.551 4.817 -1.646) 6.207 13.550 ( -1.994 6.146 4.598) 7.930 13.563 ( -1.410 -3.080 -2.582) 4.259 13.626 ( 3.092 -8.925 1.362) 9.543 13.793 ( 2.755 -0.962 0.595) 2.978 13.903 ( 1.021 -4.065 -0.736) 4.255 14.088 ( -2.442 4.326 1.340) 5.145 14.175 ( -3.906 4.254 -1.908) 6.082 14.364 ( -0.154 1.727 1.340) 2.191 14.389 ( 1.762 -2.725 6.205) 7.003 14.565 ( 2.916 -6.619 3.257) 7.933 14.679 ( 5.636 -0.052 -2.319) 6.095 14.828 ( -1.284 3.221 -2.817) 4.468 14.906 ( -4.424 1.789 2.885) 5.577 15.043 ( 2.396 -0.942 8.467) 8.849 15.178 ( 0.490 7.286 -7.403) 10.398 15.225 ( 9.886 -10.738 -5.030) 15.439 15.645 ( -3.599 1.117 4.462) 5.841 15.833 ( 2.734 3.088 1.985) 4.577 16.039 ( -5.184 -3.665 -0.191) 6.352 16.119 ( -6.069 4.943 -6.101) 9.924 16.264 ( -5.025 -8.041 -4.775) 10.616 16.680 ( -0.593 -2.871 6.501) 7.132 16.824 ( 1.285 -0.329 9.025) 9.122 17.127 ( -3.801 -1.009 -2.212) 4.512 17.334 ( 1.397 9.407 -4.984) 10.737 18.160 ( 3.070 -3.045 7.172) 8.374 18.603 ( 2.416 2.763 -3.618) 5.154 18.785 ( 7.462 4.013 2.016) 8.709 18.914 ( 3.380 2.548 -0.846) 4.316 19.949 ( 1.786 1.513 -1.386) 2.720 20.041 ( 0.142 -0.713 -3.138) 3.221 ======================= Grid point 114 (20/58) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.833 ( 0.470 -0.813 2.788) 2.942 3.075 ( -0.855 1.481 -2.569) 3.086 3.414 ( 0.871 -1.509 -2.817) 3.312 3.595 ( 0.045 -0.078 -9.288) 9.289 3.820 ( 0.200 -0.346 -1.356) 1.414 3.879 ( -0.183 0.316 -2.038) 2.071 4.084 ( -0.781 1.353 7.856) 8.010 4.223 ( 0.297 -0.515 4.624) 4.662 4.613 ( 1.040 -1.801 3.121) 3.750 4.722 ( 0.123 -0.212 2.026) 2.041 4.808 ( -0.474 0.820 4.679) 4.774 5.168 ( 0.966 -1.673 -3.729) 4.200 6.452 ( -0.891 1.543 0.234) 1.797 6.638 ( 0.773 -1.339 -5.247) 5.470 6.919 ( 0.294 -0.509 -1.109) 1.255 6.987 ( 1.013 -1.755 -1.141) 2.326 7.139 ( 0.101 -0.175 4.278) 4.283 7.466 ( -2.327 4.030 -4.039) 6.162 7.482 ( 1.679 -2.908 3.540) 4.880 7.593 ( -1.270 2.200 0.599) 2.611 8.102 ( 0.604 -1.047 -2.720) 2.977 8.126 ( -3.620 6.270 -2.316) 7.601 8.324 ( 0.198 -0.343 5.592) 5.606 8.356 ( 0.567 -0.982 3.275) 3.466 8.638 ( -3.310 5.733 0.260) 6.625 8.812 ( 1.942 -3.364 0.319) 3.897 9.116 ( -0.290 0.502 3.340) 3.390 9.197 ( 0.814 -1.410 6.571) 6.770 9.585 ( -0.576 0.997 -5.821) 5.934 9.714 ( 5.855 -10.140 -8.151) 14.267 9.932 ( 0.582 -1.008 4.704) 4.846 10.144 ( -2.380 4.122 1.382) 4.956 10.315 ( 1.667 -2.887 5.361) 6.313 10.325 ( -0.411 0.712 6.775) 6.824 10.502 ( -1.020 1.766 1.341) 2.441 10.758 ( 2.058 -3.565 -7.093) 8.201 11.053 ( -2.707 4.689 -5.736) 7.888 11.091 ( 2.262 -3.918 -4.070) 6.085 11.232 ( -3.956 6.852 -1.522) 8.057 11.420 ( 1.751 -3.032 -12.195) 12.688 11.595 ( -0.074 0.129 0.486) 0.508 11.682 ( 1.874 -3.246 1.674) 4.105 11.760 ( -1.836 3.180 5.354) 6.492 11.762 ( -2.042 3.538 -3.528) 5.398 12.003 ( 0.096 -0.167 -1.289) 1.303 12.133 ( -2.661 4.609 -6.225) 8.190 12.716 ( 0.317 -0.550 0.947) 1.140 12.780 ( 1.390 -2.408 2.095) 3.481 12.885 ( 1.676 -2.903 6.968) 7.733 13.012 ( 1.250 -2.165 0.394) 2.531 13.190 ( 1.537 -2.662 -4.772) 5.676 13.386 ( -2.928 5.072 0.517) 5.879 13.424 ( -0.670 1.160 0.473) 1.421 13.499 ( 2.985 -5.170 -7.143) 9.309 13.585 ( -4.818 8.346 6.726) 11.752 13.627 ( 1.970 -3.413 1.117) 4.096 13.803 ( 1.297 -2.246 2.235) 3.424 13.891 ( 2.738 -4.742 2.727) 6.117 14.099 ( -3.510 6.080 -1.554) 7.190 14.177 ( -1.548 2.680 -3.358) 4.566 14.343 ( 1.131 -1.960 4.566) 5.096 14.414 ( -1.250 2.165 -2.073) 3.248 14.554 ( 2.154 -3.731 4.296) 6.084 14.719 ( -0.151 0.261 -5.718) 5.726 14.835 ( 0.769 -1.332 -1.350) 2.046 14.891 ( -1.560 2.703 9.429) 9.932 15.066 ( 1.968 -3.409 7.819) 8.754 15.194 ( -1.765 3.057 -0.642) 3.588 15.258 ( 6.860 -11.882 -9.549) 16.716 15.647 ( -3.817 6.611 0.720) 7.667 15.870 ( 2.679 -4.640 2.731) 6.013 16.020 ( -2.597 4.499 -7.010) 8.725 16.048 ( -1.422 2.464 -0.510) 2.890 16.138 ( -0.291 0.504 -4.011) 4.053 16.656 ( 0.903 -1.564 8.178) 8.375 16.846 ( 1.847 -3.199 9.520) 10.211 17.091 ( -0.789 1.366 -3.390) 3.739 17.400 ( -4.055 7.023 -6.534) 10.414 18.173 ( 2.075 -3.594 8.119) 9.118 18.639 ( -0.421 0.729 -3.464) 3.565 18.879 ( -0.004 0.008 1.647) 1.647 18.951 ( -0.022 0.039 -0.297) 0.300 19.984 ( -0.346 0.600 -1.930) 2.050 20.028 ( 0.520 -0.901 -2.948) 3.126 ======================= Grid point 121 (21/58) ======================= q-point: ( 0.10 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.360 ( 14.742 25.534 15.220) 33.180 1.439 ( 15.439 26.742 13.468) 33.688 2.580 ( 23.256 40.280 28.666) 54.636 2.750 ( 4.924 8.529 -19.946) 22.245 2.823 ( 4.516 7.822 -11.726) 14.801 4.074 ( -1.509 -2.613 -7.969) 8.522 4.306 ( -1.471 -2.547 0.579) 2.998 4.403 ( -2.475 -4.287 -2.923) 5.749 5.135 ( -4.603 -7.972 3.467) 9.837 5.157 ( -3.846 -6.661 3.060) 8.278 5.260 ( -2.604 -4.511 -1.814) 5.516 5.352 ( -1.304 -2.259 -1.207) 2.874 5.924 ( 4.986 8.635 8.237) 12.933 6.223 ( 12.188 21.111 -1.603) 24.429 6.373 ( 0.902 1.563 -7.838) 8.043 6.895 ( 6.449 11.170 -11.293) 17.143 7.427 ( -1.826 -3.163 2.826) 4.618 7.557 ( 0.090 0.155 2.726) 2.732 7.696 ( -0.751 -1.301 -4.207) 4.467 7.808 ( 0.643 1.114 0.474) 1.372 8.006 ( -0.699 -1.212 4.164) 4.393 8.051 ( 1.076 1.864 4.014) 4.554 8.385 ( 2.642 4.576 7.136) 8.879 8.421 ( -6.745 -11.683 11.536) 17.750 8.618 ( -2.359 -4.086 -9.273) 10.405 8.966 ( -8.389 -14.530 -7.105) 18.220 8.975 ( 6.438 11.152 -10.053) 16.337 9.072 ( -3.095 -5.361 -3.623) 7.172 9.451 ( 1.249 2.164 13.632) 13.859 9.728 ( 6.037 10.457 8.480) 14.755 9.825 ( -3.228 -5.592 7.980) 10.265 10.307 ( -11.062 -19.161 -8.349) 23.648 10.477 ( 0.554 0.959 -12.048) 12.099 10.537 ( 1.187 2.055 -1.710) 2.925 10.721 ( -3.516 -6.090 6.633) 9.667 10.792 ( -1.020 -1.767 -6.126) 6.457 11.096 ( -2.071 -3.588 10.647) 11.425 11.245 ( -1.740 -3.014 -1.495) 3.788 11.354 ( -1.766 -3.059 -5.129) 6.227 11.373 ( 3.348 5.798 -3.965) 7.781 11.542 ( 1.374 2.379 8.277) 8.721 11.836 ( -1.403 -2.430 -6.568) 7.142 12.045 ( -6.198 -10.736 -2.570) 12.660 12.145 ( -1.256 -2.175 -1.485) 2.917 12.345 ( 4.609 7.983 0.084) 9.218 12.495 ( -6.739 -11.673 11.281) 17.576 12.650 ( -3.066 -5.310 -4.291) 7.484 12.873 ( -2.418 -4.187 1.885) 5.190 12.899 ( -0.809 -1.402 4.313) 4.607 13.025 ( 2.009 3.480 -3.738) 5.488 13.203 ( 4.063 7.037 -10.605) 13.360 13.359 ( 2.429 4.207 7.752) 9.148 13.424 ( -0.577 -0.999 -4.619) 4.761 13.451 ( -2.320 -4.019 -2.480) 5.262 13.610 ( -3.123 -5.409 7.768) 9.967 13.780 ( -0.393 -0.681 -6.595) 6.642 13.828 ( -2.942 -5.096 3.955) 7.090 13.981 ( 0.492 0.852 1.154) 1.516 14.063 ( -3.532 -6.118 -0.983) 7.132 14.067 ( 0.218 0.377 -1.313) 1.384 14.244 ( -0.982 -1.702 -0.359) 1.998 14.386 ( 1.932 3.347 -0.400) 3.885 14.519 ( 5.840 10.115 5.441) 12.885 14.550 ( 1.647 2.852 -1.906) 3.805 14.711 ( 4.040 6.998 0.942) 8.135 14.798 ( 1.343 2.327 4.881) 5.571 14.947 ( 0.531 0.919 -5.663) 5.761 15.261 ( -9.189 -15.917 14.509) 23.416 15.312 ( -1.918 -3.321 -9.337) 10.094 15.697 ( -1.020 -1.767 0.422) 2.084 15.767 ( 0.848 1.468 -1.489) 2.257 15.853 ( 3.957 6.853 4.494) 9.100 16.205 ( 4.144 7.178 -1.358) 8.399 16.549 ( 2.896 5.016 -1.324) 5.942 16.648 ( -2.376 -4.116 -0.367) 4.767 16.663 ( 3.490 6.045 3.769) 7.933 17.524 ( -3.981 -6.895 4.141) 8.975 17.644 ( -9.182 -15.903 0.200) 18.365 18.067 ( -0.897 -1.554 0.279) 1.816 18.125 ( 7.293 12.631 2.865) 14.864 18.419 ( 3.096 5.362 -1.352) 6.338 18.478 ( 6.419 11.118 -4.691) 13.669 19.919 ( 0.278 0.482 -0.346) 0.656 19.925 ( 1.664 2.882 -1.099) 3.505 ======================= Grid point 122 (22/58) ======================= q-point: ( 0.20 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.931 ( 19.440 21.945 9.911) 30.948 2.064 ( 24.578 23.473 2.993) 34.117 2.960 ( 6.378 10.730 -14.032) 18.781 3.010 ( 7.618 8.014 -11.561) 15.997 3.366 ( 23.537 28.194 16.095) 40.099 4.018 ( -2.232 -1.790 0.760) 2.961 4.241 ( -2.631 -2.961 0.462) 3.988 4.308 ( -3.258 -4.016 -0.690) 5.217 4.893 ( -12.088 -7.528 5.021) 15.100 5.024 ( -2.365 -10.092 3.829) 11.051 5.136 ( -5.095 -5.503 -4.087) 8.541 5.289 ( -2.543 -2.987 -1.627) 4.247 6.131 ( 7.292 10.087 6.197) 13.904 6.410 ( 3.540 0.193 -6.142) 7.092 6.674 ( 12.884 12.137 -4.141) 18.179 7.092 ( 1.542 11.591 -2.970) 12.064 7.368 ( 0.892 -5.766 1.686) 6.073 7.481 ( -4.033 -6.721 -0.053) 7.838 7.651 ( -1.036 -1.351 -5.012) 5.293 7.767 ( -2.042 -3.454 1.526) 4.293 7.917 ( -5.727 -3.924 3.322) 7.697 8.100 ( -0.839 -2.209 1.032) 2.579 8.302 ( 1.637 1.562 12.148) 12.357 8.449 ( -0.303 4.088 -0.936) 4.205 8.617 ( 5.267 -6.142 -3.906) 8.984 8.651 ( -7.710 -6.843 -0.545) 10.323 9.021 ( -1.172 2.128 -4.018) 4.695 9.240 ( 6.304 13.163 -6.811) 16.105 9.487 ( 2.215 -0.109 11.458) 11.670 9.730 ( -6.165 5.580 3.705) 9.103 9.882 ( -0.543 -11.668 -0.745) 11.704 10.026 ( 3.201 0.599 -1.391) 3.541 10.454 ( -6.169 0.362 -5.375) 8.190 10.482 ( -3.290 -2.132 -0.595) 3.965 10.590 ( -2.870 -6.290 4.050) 8.013 10.879 ( 8.030 2.718 -6.570) 10.725 11.000 ( -6.722 2.083 6.546) 9.611 11.161 ( -3.486 -2.856 1.926) 4.900 11.290 ( -1.467 -3.036 -4.627) 5.725 11.464 ( 2.209 -3.308 -3.140) 5.068 11.670 ( 5.799 6.856 5.050) 10.302 11.776 ( -1.693 -3.221 -4.897) 6.101 11.894 ( -1.817 -0.873 -9.472) 9.684 12.012 ( -7.981 -6.854 -0.590) 10.537 12.248 ( -7.369 -10.741 4.751) 13.865 12.448 ( -5.877 -7.850 0.514) 9.819 12.533 ( 0.651 -6.045 -1.564) 6.278 12.684 ( -3.192 0.878 -6.252) 7.075 12.913 ( -1.259 1.372 10.468) 10.632 13.069 ( 2.085 -2.083 0.164) 2.952 13.312 ( -3.868 10.193 -3.876) 11.571 13.366 ( -1.933 2.706 -3.356) 4.725 13.417 ( 1.535 -1.169 9.407) 9.603 13.492 ( 6.087 2.847 -5.988) 9.001 13.610 ( 0.815 5.963 4.036) 7.247 13.705 ( -7.825 1.549 2.295) 8.300 13.724 ( -1.638 -8.400 -6.472) 10.730 13.952 ( 3.121 -10.351 -1.085) 10.865 14.046 ( 1.745 -0.855 0.206) 1.954 14.117 ( 5.973 -0.639 1.057) 6.100 14.193 ( 0.915 -0.099 1.129) 1.456 14.423 ( -0.848 0.995 1.608) 2.072 14.584 ( -0.981 -2.816 -3.821) 4.847 14.663 ( 0.697 2.858 -2.375) 3.781 14.839 ( -0.161 7.035 3.034) 7.663 14.887 ( 3.797 2.755 2.570) 5.349 14.955 ( -1.626 4.722 -1.504) 5.216 15.019 ( 0.620 -5.971 13.998) 15.231 15.233 ( -2.422 -3.467 -8.999) 9.943 15.682 ( 1.492 -3.055 4.974) 6.025 15.790 ( 0.001 0.990 -1.406) 1.719 16.015 ( 5.282 7.329 2.605) 9.402 16.320 ( 0.807 1.233 -3.405) 3.710 16.468 ( -4.242 -5.226 -2.591) 7.212 16.526 ( -1.646 -7.824 0.753) 8.031 16.935 ( 4.869 11.930 2.465) 13.119 17.303 ( -9.635 -7.887 1.345) 12.524 17.374 ( -5.121 -5.428 2.611) 7.906 18.048 ( 1.641 -3.259 1.831) 4.082 18.421 ( 10.261 11.518 1.927) 15.545 18.531 ( 2.415 7.088 -1.997) 7.750 18.707 ( 7.253 8.170 -1.829) 11.077 19.926 ( -0.420 1.915 -0.479) 2.018 19.991 ( 2.459 1.589 -2.613) 3.925 ======================= Grid point 123 (23/58) ======================= q-point: ( 0.30 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.460 ( 15.783 18.789 6.053) 25.274 2.736 ( 25.096 18.991 -1.074) 31.490 3.134 ( 1.563 8.606 -5.086) 10.118 3.275 ( 10.937 9.977 -13.251) 19.868 3.927 ( 12.996 9.997 3.230) 16.711 3.960 ( -1.261 -0.799 4.487) 4.729 4.152 ( -3.469 -2.203 2.039) 4.587 4.214 ( -2.692 -3.374 1.826) 4.687 4.592 ( -11.710 -6.661 7.920) 15.628 4.854 ( -3.955 -12.675 2.291) 13.474 4.999 ( -4.761 -2.106 -2.875) 5.947 5.209 ( -2.932 -2.644 -2.089) 4.467 6.370 ( 8.909 7.066 1.641) 11.489 6.468 ( 3.092 -2.483 -2.730) 4.814 6.824 ( 0.485 -1.638 -2.555) 3.073 7.129 ( -5.376 1.468 -3.991) 6.855 7.243 ( -5.071 -6.768 3.309) 9.082 7.443 ( 4.570 -7.263 0.578) 8.600 7.639 ( -2.938 2.729 -1.366) 4.236 7.766 ( -4.171 -2.465 1.293) 5.015 7.834 ( 8.137 4.064 0.941) 9.144 7.981 ( -3.320 -4.012 -0.917) 5.288 8.366 ( 0.865 1.935 6.410) 6.752 8.447 ( -3.556 0.769 3.636) 5.143 8.573 ( 4.183 2.001 0.687) 4.688 8.716 ( 7.935 -5.628 -5.641) 11.246 9.087 ( 1.813 8.648 -1.028) 8.896 9.322 ( -8.590 6.333 7.642) 13.126 9.573 ( 4.178 2.084 -8.889) 10.041 9.689 ( -2.465 4.694 1.553) 5.524 9.802 ( 2.783 -0.270 0.193) 2.803 10.168 ( 6.105 -0.454 2.533) 6.625 10.325 ( -3.929 -2.803 -0.920) 4.914 10.399 ( -6.968 3.229 7.205) 10.531 10.541 ( 1.667 -1.414 -1.232) 2.509 10.893 ( -9.181 3.253 -2.281) 10.004 10.976 ( 0.507 -2.941 -2.546) 3.923 11.166 ( 4.816 4.109 3.265) 7.122 11.259 ( -0.044 -0.954 -7.019) 7.084 11.381 ( -2.298 -5.776 -3.821) 7.296 11.671 ( -2.642 -4.453 0.315) 5.187 11.756 ( -5.906 -9.041 0.252) 10.802 11.853 ( 1.175 -5.801 0.696) 5.959 11.937 ( 1.848 -2.201 -11.355) 11.713 12.050 ( -1.241 2.779 -0.153) 3.048 12.123 ( -14.249 -3.992 -1.785) 14.905 12.552 ( 6.600 -4.076 1.430) 7.888 12.755 ( 2.326 2.939 -2.005) 4.251 12.888 ( -1.791 -0.336 6.949) 7.184 13.050 ( -0.287 -4.534 1.484) 4.780 13.257 ( -7.736 3.478 2.987) 8.993 13.411 ( 0.273 6.103 -0.129) 6.111 13.464 ( 0.934 -4.177 4.339) 6.095 13.507 ( -1.931 -0.791 -4.319) 4.797 13.607 ( -3.096 -1.336 -8.344) 8.999 13.690 ( 2.246 3.224 0.003) 3.929 13.726 ( 0.986 8.764 1.673) 8.976 13.869 ( -0.358 -4.251 0.657) 4.317 14.101 ( 4.155 -0.329 2.554) 4.889 14.252 ( 7.828 -2.703 4.670) 9.508 14.277 ( 5.813 3.830 1.779) 7.185 14.388 ( -0.961 -4.244 2.940) 5.252 14.438 ( -7.657 -2.924 -2.300) 8.512 14.621 ( -1.576 -3.214 -4.126) 5.462 14.828 ( 3.081 -8.720 -5.143) 10.582 14.971 ( 2.433 0.805 2.130) 3.332 15.035 ( 0.191 6.566 5.150) 8.347 15.076 ( -1.019 4.182 5.249) 6.788 15.202 ( 1.672 3.083 -8.993) 9.653 15.655 ( 0.292 -3.954 8.588) 9.459 15.820 ( 1.833 2.589 0.196) 3.179 16.100 ( -3.063 -1.835 1.043) 3.720 16.244 ( -5.835 -11.119 -1.714) 12.673 16.278 ( -4.587 6.111 -7.982) 11.050 16.566 ( 6.595 -3.041 2.311) 7.621 16.906 ( -8.068 -2.229 6.349) 10.505 17.159 ( -2.800 -4.330 -1.894) 5.494 17.401 ( 3.010 10.724 0.084) 11.139 18.055 ( 3.406 -4.370 5.003) 7.466 18.629 ( 1.296 7.054 -2.962) 7.760 18.700 ( 8.161 7.409 1.639) 11.143 18.879 ( 4.447 4.524 -0.473) 6.362 19.948 ( 0.679 2.095 -0.902) 2.380 20.033 ( 0.709 0.682 -3.227) 3.374 ======================= Grid point 124 (24/58) ======================= q-point: ( 0.40 0.10 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 6.113 13.027 2.693) 14.640 3.167 ( -3.287 6.474 -1.839) 7.490 3.304 ( 14.985 12.237 -2.635) 19.525 3.560 ( 8.241 8.280 -9.855) 15.284 3.868 ( -5.969 -2.601 0.785) 6.558 3.932 ( -6.291 -3.630 -1.786) 7.480 4.117 ( -3.826 -3.787 6.524) 8.458 4.196 ( 2.220 -1.271 2.267) 3.418 4.483 ( 6.496 -2.061 6.758) 9.598 4.644 ( -3.553 -13.178 0.556) 13.660 4.940 ( -3.618 4.411 2.106) 6.081 5.145 ( -1.057 -2.045 -3.352) 4.066 6.444 ( -0.045 -4.512 1.247) 4.681 6.551 ( 6.210 -0.390 -4.190) 7.501 6.847 ( 5.166 -0.724 -1.464) 5.418 6.982 ( -4.961 -6.564 -2.838) 8.704 7.156 ( -1.506 -1.126 1.042) 2.150 7.415 ( 1.754 -5.165 2.497) 5.999 7.575 ( -4.957 1.789 -0.902) 5.346 7.632 ( -4.686 -2.478 2.819) 6.004 8.026 ( 6.290 1.694 -5.353) 8.432 8.076 ( 9.080 1.265 3.145) 9.693 8.352 ( -2.285 0.186 6.472) 6.866 8.384 ( -3.346 -0.792 3.045) 4.593 8.695 ( 3.864 4.158 2.947) 6.396 8.764 ( 3.805 -6.330 -5.420) 9.161 9.191 ( -4.497 9.835 2.301) 11.057 9.226 ( -4.349 5.579 5.742) 9.110 9.623 ( 0.696 0.831 -10.173) 10.231 9.702 ( -5.313 9.405 -1.619) 10.923 9.896 ( 3.865 1.149 3.820) 5.555 10.196 ( -0.249 -1.516 1.959) 2.489 10.278 ( 0.088 -0.832 1.905) 2.081 10.360 ( -2.285 4.421 5.496) 7.414 10.575 ( 0.090 3.613 3.341) 4.921 10.743 ( -6.236 -2.425 -6.321) 9.204 10.977 ( 3.683 -2.233 -2.066) 4.776 11.140 ( -4.152 -4.806 -0.753) 6.396 11.329 ( 3.227 6.519 -6.362) 9.663 11.385 ( 0.771 2.067 -10.789) 11.013 11.565 ( -1.470 -7.613 -1.208) 7.848 11.596 ( -0.376 -9.292 0.423) 9.309 11.738 ( 1.351 -6.796 -1.374) 7.064 11.842 ( -7.397 -1.512 5.921) 9.595 12.013 ( 1.528 1.947 -5.756) 6.265 12.188 ( 1.920 5.056 -0.636) 5.445 12.657 ( 7.115 0.093 0.065) 7.116 12.766 ( -2.691 -0.644 -0.888) 2.906 12.872 ( 0.197 1.131 2.612) 2.853 12.962 ( -1.844 -7.154 3.178) 8.042 13.187 ( -2.576 2.047 2.449) 4.102 13.359 ( -1.678 -3.920 0.748) 4.329 13.420 ( -0.585 -6.969 -10.227) 12.390 13.502 ( -1.364 7.853 3.121) 8.560 13.674 ( 2.738 6.245 -0.251) 6.823 13.733 ( 0.881 2.976 4.559) 5.515 13.778 ( -2.523 2.899 -1.425) 4.098 13.836 ( -3.137 -0.754 1.537) 3.574 14.186 ( 3.307 4.248 0.204) 5.388 14.285 ( -5.953 5.249 1.129) 8.017 14.310 ( 0.693 -1.903 3.721) 4.237 14.359 ( 3.110 -8.702 1.233) 9.323 14.430 ( 5.705 -0.618 3.619) 6.784 14.609 ( 6.458 -9.745 -7.682) 13.988 14.784 ( 0.718 -3.654 -2.558) 4.517 14.987 ( -1.521 1.529 2.684) 3.443 15.046 ( 1.146 -2.696 -2.548) 3.882 15.105 ( -1.783 7.187 6.704) 9.989 15.216 ( -1.834 -3.490 -1.445) 4.199 15.708 ( 5.626 3.664 1.436) 6.866 15.829 ( -3.258 -2.454 1.245) 4.264 16.014 ( 0.435 0.169 -4.128) 4.155 16.103 ( -0.912 -5.597 0.537) 5.697 16.245 ( -7.558 5.601 -5.443) 10.869 16.598 ( 1.447 -3.838 6.331) 7.543 16.806 ( 0.085 -1.761 5.861) 6.120 17.102 ( -0.463 -1.707 -3.265) 3.713 17.534 ( -1.142 9.213 -2.487) 9.611 18.072 ( 3.580 -4.994 7.848) 9.967 18.692 ( -1.352 5.475 -3.462) 6.617 18.864 ( 3.415 3.536 1.601) 5.170 18.953 ( 0.648 1.302 -0.067) 1.456 19.990 ( 1.430 1.997 -1.827) 3.061 20.029 ( -1.315 -0.217 -2.911) 3.202 ======================= Grid point 132 (25/58) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 14.243 24.669 6.096) 29.130 2.589 ( 15.658 27.120 -1.147) 31.336 3.184 ( 5.251 9.095 -5.405) 11.811 3.214 ( 7.424 12.858 -12.415) 19.354 3.848 ( 9.879 17.111 5.176) 20.425 3.972 ( -1.472 -2.550 4.476) 5.357 4.175 ( -1.841 -3.188 1.350) 3.921 4.221 ( -2.564 -4.441 1.004) 5.226 4.688 ( -7.499 -12.988 6.719) 16.434 4.803 ( -6.015 -10.418 2.621) 12.312 5.027 ( -2.522 -4.368 -3.837) 6.337 5.225 ( -1.851 -3.206 -1.461) 3.980 6.325 ( 4.890 8.470 2.942) 10.213 6.415 ( -0.044 -0.075 -2.959) 2.960 6.811 ( 0.169 0.293 -4.295) 4.309 7.245 ( -2.733 -4.734 -1.856) 5.773 7.249 ( -5.019 -8.693 4.978) 11.204 7.310 ( 0.305 0.529 -4.281) 4.324 7.692 ( 2.313 4.007 -2.105) 5.083 7.742 ( 1.782 3.087 2.585) 4.404 7.812 ( -2.127 -3.685 2.430) 4.900 7.989 ( -4.501 -7.795 0.869) 9.043 8.372 ( 2.035 3.525 6.989) 8.088 8.516 ( -2.796 -4.843 3.419) 6.554 8.540 ( -0.427 -0.740 -7.969) 8.015 8.566 ( 3.275 5.673 1.541) 6.730 9.125 ( 4.436 7.683 -0.115) 8.873 9.524 ( 2.486 4.306 10.826) 11.913 9.532 ( 7.086 12.274 -8.317) 16.432 9.612 ( -4.796 -8.306 -4.058) 10.414 9.872 ( 2.928 5.072 2.132) 6.232 10.079 ( 1.415 2.451 0.241) 2.840 10.348 ( -2.757 -4.775 -1.735) 5.780 10.478 ( -2.518 -4.362 7.737) 9.232 10.544 ( 1.947 3.372 -2.249) 4.496 10.928 ( -0.050 -0.087 -4.589) 4.590 11.046 ( -0.109 -0.189 2.763) 2.772 11.141 ( 1.052 1.822 7.261) 7.559 11.243 ( 0.163 0.282 -9.339) 9.345 11.342 ( -3.212 -5.564 -3.432) 7.284 11.674 ( -4.223 -7.315 -3.789) 9.257 11.760 ( -2.733 -4.733 4.571) 7.125 11.799 ( -7.246 -12.551 -2.916) 14.783 11.907 ( 1.274 2.207 -14.729) 14.948 12.076 ( -0.384 -0.664 3.520) 3.602 12.312 ( -4.466 -7.736 -2.745) 9.345 12.391 ( -1.877 -3.252 0.852) 3.850 12.745 ( 2.265 3.922 -2.493) 5.170 12.918 ( -0.302 -0.524 9.482) 9.501 13.021 ( -1.759 -3.047 3.671) 5.085 13.378 ( -1.375 -2.381 11.884) 12.197 13.424 ( 1.372 2.377 -3.404) 4.373 13.508 ( 2.876 4.981 -4.594) 7.361 13.533 ( 0.569 0.986 -8.109) 8.189 13.540 ( -2.959 -5.125 -2.013) 6.251 13.742 ( -3.162 -5.476 -8.071) 10.253 13.762 ( 3.814 6.606 5.941) 9.669 13.840 ( 4.117 7.130 6.934) 10.764 14.042 ( -0.134 -0.232 0.930) 0.968 14.089 ( 0.478 0.829 -0.831) 1.267 14.240 ( 2.506 4.340 2.100) 5.434 14.404 ( -1.737 -3.008 1.669) 3.854 14.509 ( -3.582 -6.204 -7.428) 10.319 14.635 ( -5.391 -9.337 1.523) 10.889 14.727 ( -0.843 -1.460 -4.346) 4.662 14.971 ( 1.331 2.306 4.835) 5.520 15.026 ( 3.002 5.200 1.306) 6.145 15.150 ( 4.211 7.294 4.930) 9.760 15.213 ( 0.575 0.996 -6.738) 6.835 15.612 ( -2.298 -3.980 11.148) 12.058 15.819 ( 1.423 2.464 0.494) 2.888 16.100 ( -0.025 -0.044 3.414) 3.414 16.255 ( -7.925 -13.727 -5.593) 16.808 16.390 ( 1.319 2.285 -3.125) 4.090 16.448 ( 1.933 3.348 -2.519) 4.615 16.982 ( -4.481 -7.760 4.909) 10.217 17.152 ( -2.971 -5.146 -1.432) 6.112 17.432 ( 5.509 9.541 1.515) 11.121 17.994 ( -1.046 -1.811 4.483) 4.947 18.652 ( 5.513 9.549 0.604) 11.043 18.673 ( 4.161 7.207 -2.646) 8.733 18.859 ( 3.642 6.308 0.219) 7.287 19.955 ( 0.703 1.218 -0.855) 1.646 20.030 ( 1.017 1.762 -2.969) 3.599 ======================= Grid point 133 (26/58) ======================= q-point: ( 0.30 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.883 ( 9.086 21.169 3.673) 23.327 3.136 ( 16.955 19.017 -3.111) 25.667 3.329 ( -0.281 10.059 -2.388) 10.342 3.495 ( 9.688 11.136 -7.889) 16.737 3.920 ( -2.089 -1.728 4.142) 4.950 3.992 ( -2.905 -2.325 -2.920) 4.729 4.130 ( -2.466 -5.047 3.234) 6.482 4.138 ( 0.834 -1.071 2.063) 2.470 4.417 ( -5.924 -11.475 8.084) 15.236 4.585 ( -4.956 -12.202 -2.088) 13.334 4.996 ( 0.313 2.132 0.181) 2.163 5.160 ( -2.239 -2.057 -1.323) 3.316 6.386 ( -0.293 -5.047 1.768) 5.355 6.460 ( 3.971 1.750 -2.683) 5.102 6.781 ( 0.646 -1.698 -3.675) 4.099 7.008 ( -6.798 -9.636 -1.927) 11.949 7.158 ( -1.597 -3.228 -3.200) 4.818 7.333 ( 1.963 -2.257 4.013) 5.005 7.617 ( -4.102 -6.268 0.945) 7.550 7.736 ( -6.427 -1.352 7.117) 9.684 7.932 ( 7.675 4.020 1.151) 8.740 7.966 ( 5.212 4.941 -4.542) 8.498 8.395 ( -1.616 0.200 3.482) 3.844 8.417 ( -2.481 -2.783 7.257) 8.158 8.559 ( 4.510 -3.946 -9.553) 11.277 8.705 ( 3.902 4.604 5.831) 8.392 9.292 ( 2.369 10.366 -0.770) 10.661 9.472 ( -6.935 7.351 0.506) 10.119 9.643 ( 1.585 6.814 -3.366) 7.764 9.790 ( 9.082 5.290 3.318) 11.022 9.918 ( -4.595 7.793 -1.440) 9.161 10.130 ( 4.025 -2.362 0.233) 4.673 10.300 ( -1.613 2.036 -1.111) 2.825 10.434 ( 0.776 0.494 5.297) 5.376 10.601 ( -1.162 5.570 1.290) 5.834 10.860 ( -5.681 -3.748 -0.093) 6.807 10.942 ( -4.359 -4.380 0.050) 6.179 11.095 ( -0.977 -10.352 6.686) 12.362 11.314 ( 2.614 1.961 -14.081) 14.456 11.393 ( 3.265 8.036 -4.954) 9.989 11.498 ( -1.265 -8.319 -2.691) 8.835 11.520 ( -4.990 -14.093 -1.070) 14.989 11.642 ( -0.065 -6.325 -4.341) 7.672 11.961 ( -0.478 -0.215 -6.086) 6.109 12.042 ( -8.718 0.544 3.946) 9.585 12.185 ( 1.219 -0.359 2.425) 2.738 12.478 ( 10.031 0.348 -3.135) 10.515 12.808 ( 0.357 2.104 1.037) 2.373 12.906 ( -2.348 1.154 3.265) 4.184 12.940 ( -1.581 -4.162 4.696) 6.471 13.299 ( -5.511 2.272 5.473) 8.092 13.379 ( -3.102 -7.063 -12.987) 15.106 13.434 ( -5.705 0.054 0.785) 5.759 13.538 ( 3.006 2.511 -0.737) 3.985 13.629 ( 4.969 -0.212 -0.038) 4.974 13.727 ( -1.170 3.614 -2.581) 4.592 13.872 ( 2.055 3.177 4.387) 5.794 13.915 ( -3.821 5.641 2.147) 7.144 14.107 ( 8.404 -4.090 3.493) 9.978 14.176 ( 5.424 4.584 2.541) 7.543 14.290 ( -2.763 -8.056 -4.001) 9.409 14.351 ( 4.560 3.144 1.824) 5.831 14.399 ( -2.504 -1.615 0.740) 3.070 14.467 ( -2.581 -6.955 -0.196) 7.421 14.722 ( 1.698 -1.586 -4.386) 4.963 15.006 ( -0.749 2.364 -0.068) 2.481 15.076 ( 1.107 -4.228 3.341) 5.501 15.180 ( -6.270 6.172 -3.717) 9.551 15.283 ( -0.398 3.985 1.798) 4.390 15.584 ( 6.494 -1.758 6.966) 9.685 15.855 ( -1.716 -2.293 4.864) 5.645 16.027 ( -4.460 -6.521 -2.868) 8.405 16.052 ( 0.950 -1.359 -1.575) 2.287 16.405 ( -3.293 3.949 -5.907) 7.831 16.551 ( 1.661 0.270 2.510) 3.022 16.795 ( -3.038 -5.624 4.029) 7.556 17.080 ( -0.887 -3.734 -3.198) 4.995 17.613 ( 2.595 8.392 -2.015) 9.013 17.979 ( 1.692 -2.427 10.216) 10.636 18.766 ( 0.622 5.935 -5.022) 7.799 18.842 ( 4.338 6.130 1.239) 7.611 18.952 ( 1.552 2.419 0.923) 3.019 19.985 ( 1.060 1.619 -1.637) 2.534 20.049 ( -0.362 0.622 -2.648) 2.744 ======================= Grid point 134 (27/58) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.107 ( -7.117 12.328 1.350) 14.298 3.326 ( -4.786 8.289 0.046) 9.572 3.497 ( -2.867 4.965 -2.954) 6.449 3.711 ( -2.862 4.957 -6.171) 8.417 3.840 ( -0.623 1.080 -2.126) 2.465 3.891 ( -0.139 0.241 -1.707) 1.729 4.036 ( 1.959 -3.392 9.942) 10.685 4.151 ( 1.861 -3.224 1.686) 4.086 4.304 ( 6.924 -11.993 6.072) 15.121 4.459 ( 3.438 -5.955 -5.393) 8.739 5.030 ( -1.942 3.363 2.394) 4.562 5.119 ( 0.210 -0.364 -1.916) 1.962 6.345 ( 2.535 -4.390 3.682) 6.266 6.501 ( 1.765 -3.057 -5.700) 6.705 6.834 ( 2.271 -3.933 -4.014) 6.061 6.843 ( 1.126 -1.951 -1.153) 2.531 7.127 ( 1.168 -2.024 -4.340) 4.929 7.354 ( 0.622 -1.077 4.162) 4.343 7.528 ( 2.431 -4.210 1.321) 5.038 7.654 ( -1.575 2.728 9.141) 9.669 8.045 ( -0.102 0.176 -9.542) 9.544 8.048 ( 1.471 -2.548 2.126) 3.630 8.365 ( -0.451 0.782 11.857) 11.891 8.384 ( -0.332 0.575 3.119) 3.189 8.584 ( 4.164 -7.212 -9.426) 12.577 8.764 ( -0.746 1.292 6.825) 6.986 9.374 ( -4.441 7.693 -2.884) 9.339 9.459 ( -6.507 11.270 2.281) 13.212 9.694 ( -3.607 6.247 -5.663) 9.171 9.902 ( -1.091 1.889 -1.279) 2.529 9.928 ( -4.740 8.210 6.451) 11.467 10.154 ( 1.456 -2.521 0.462) 2.948 10.302 ( -2.068 3.581 -0.318) 4.148 10.464 ( -2.987 5.174 4.217) 7.313 10.673 ( -1.790 3.101 5.175) 6.293 10.680 ( 0.657 -1.138 -7.635) 7.748 10.892 ( 2.318 -4.014 1.301) 4.814 11.020 ( 4.116 -7.128 5.209) 9.741 11.314 ( 5.170 -8.956 -4.057) 11.108 11.367 ( 6.728 -11.653 -0.392) 13.461 11.483 ( -0.179 0.310 -10.539) 10.545 11.503 ( -3.715 6.434 -15.618) 17.295 11.644 ( -0.627 1.087 -0.497) 1.350 11.855 ( -1.575 2.728 6.619) 7.330 12.017 ( 0.874 -1.514 -4.323) 4.663 12.197 ( 2.587 -4.481 6.199) 8.075 12.637 ( 2.275 -3.941 -4.537) 6.426 12.767 ( -1.828 3.167 0.405) 3.679 12.867 ( 0.485 -0.840 6.829) 6.898 12.931 ( -1.687 2.922 1.000) 3.519 13.273 ( -3.513 6.084 3.790) 7.983 13.302 ( 1.577 -2.731 -12.319) 12.717 13.354 ( -0.809 1.402 -3.411) 3.776 13.623 ( 3.545 -6.140 -1.294) 7.207 13.667 ( 0.033 -0.057 6.947) 6.948 13.717 ( -2.739 4.744 0.445) 5.496 13.896 ( -2.247 3.892 1.799) 4.841 13.901 ( -2.051 3.552 -1.840) 4.495 14.160 ( 4.409 -7.637 5.029) 10.152 14.217 ( 5.222 -9.045 -5.059) 11.605 14.305 ( -2.520 4.365 2.687) 5.712 14.333 ( 0.083 -0.144 3.894) 3.898 14.404 ( 1.061 -1.838 -1.845) 2.812 14.440 ( 0.046 -0.080 2.001) 2.003 14.751 ( 0.662 -1.147 -0.774) 1.534 14.964 ( 3.968 -6.872 2.094) 8.207 15.102 ( -4.678 8.102 -4.796) 10.513 15.105 ( 0.719 -1.246 -1.343) 1.968 15.278 ( -3.733 6.465 7.326) 10.460 15.721 ( 1.419 -2.458 -2.491) 3.776 15.787 ( 1.813 -3.141 0.485) 3.659 15.908 ( 2.733 -4.733 -1.704) 5.725 16.128 ( -1.815 3.143 3.741) 5.212 16.342 ( -2.349 4.068 -2.318) 5.239 16.532 ( 2.081 -3.604 4.816) 6.365 16.786 ( -0.658 1.139 0.098) 1.319 17.047 ( 2.079 -3.602 -4.090) 5.833 17.678 ( -2.462 4.265 -4.538) 6.697 17.987 ( 1.501 -2.600 13.710) 14.035 18.803 ( -2.660 4.607 -5.630) 7.746 18.922 ( -1.060 1.836 1.710) 2.723 18.970 ( -0.299 0.518 0.554) 0.815 20.014 ( -0.262 0.454 -2.857) 2.905 20.039 ( -0.502 0.869 -1.602) 1.890 ======================= Grid point 140 (28/58) ======================= q-point: (-0.10 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( -17.790 30.813 8.971) 36.693 1.560 ( -14.211 24.614 21.667) 35.739 2.464 ( -22.962 39.771 28.515) 54.056 2.713 ( -4.143 7.177 -16.918) 18.838 2.837 ( -4.522 7.832 -16.672) 18.967 4.054 ( 2.086 -3.613 -8.249) 9.244 4.308 ( 1.387 -2.402 0.570) 2.832 4.410 ( 2.209 -3.827 -2.495) 5.075 5.097 ( 5.500 -9.527 1.924) 11.167 5.146 ( 3.658 -6.337 2.927) 7.881 5.326 ( 1.509 -2.613 0.607) 3.077 5.354 ( 1.131 -1.958 -1.671) 2.811 5.832 ( -3.767 6.525 4.393) 8.721 6.304 ( -11.767 20.381 1.742) 23.599 6.465 ( -3.024 5.238 -3.210) 6.847 6.771 ( -4.275 7.405 -15.074) 17.331 7.501 ( -0.534 0.926 0.273) 1.103 7.528 ( -0.458 0.793 7.561) 7.616 7.727 ( 1.875 -3.247 -5.366) 6.546 7.747 ( -1.058 1.833 -0.095) 2.119 8.044 ( 1.562 -2.705 -0.201) 3.130 8.174 ( -4.917 8.517 10.439) 14.341 8.189 ( 4.983 -8.631 3.875) 10.693 8.456 ( 1.561 -2.705 10.254) 10.719 8.630 ( 3.947 -6.837 -10.226) 12.919 8.935 ( 6.223 -10.779 -5.205) 13.491 9.025 ( -6.172 10.690 -7.065) 14.223 9.108 ( 4.645 -8.045 -4.730) 10.425 9.405 ( -0.084 0.146 9.646) 9.648 9.775 ( -6.474 11.213 11.012) 16.998 9.787 ( 2.829 -4.899 7.467) 9.368 10.175 ( 5.889 -10.201 -6.146) 13.286 10.567 ( -0.258 0.447 -6.582) 6.602 10.604 ( 4.104 -7.108 -14.295) 16.484 10.799 ( 0.205 -0.354 3.635) 3.658 10.801 ( 0.992 -1.719 2.707) 3.357 10.995 ( 4.259 -7.377 13.081) 15.610 11.248 ( 1.376 -2.384 -9.302) 9.701 11.333 ( -0.160 0.277 -2.268) 2.290 11.375 ( -0.762 1.321 4.229) 4.495 11.510 ( -0.162 0.280 -0.193) 0.377 11.924 ( 0.166 -0.288 -4.811) 4.823 12.054 ( 6.659 -11.533 -1.080) 13.361 12.201 ( 2.140 -3.707 -1.985) 4.718 12.265 ( -3.921 6.791 -0.180) 7.844 12.658 ( 3.585 -6.209 7.910) 10.676 12.677 ( 5.932 -10.274 -0.216) 11.865 12.745 ( 3.798 -6.578 13.505) 15.494 12.891 ( -4.370 7.569 -17.793) 19.823 12.968 ( -1.860 3.222 3.080) 4.830 13.191 ( 0.595 -1.031 1.981) 2.312 13.238 ( -0.725 1.256 -3.816) 4.082 13.418 ( -1.223 2.119 -2.362) 3.400 13.445 ( 2.193 -3.798 -0.996) 4.497 13.513 ( 5.804 -10.054 -1.419) 11.695 13.876 ( 1.821 -3.153 4.219) 5.573 13.924 ( -1.360 2.355 0.497) 2.764 14.050 ( -1.126 1.951 -0.525) 2.313 14.106 ( 0.346 -0.599 1.225) 1.406 14.151 ( 2.160 -3.741 7.403) 8.571 14.256 ( -1.046 1.812 -6.538) 6.864 14.310 ( -3.668 6.352 0.810) 7.380 14.429 ( -5.227 9.053 -2.701) 10.796 14.583 ( -3.266 5.657 1.112) 6.626 14.682 ( 3.373 -5.842 0.621) 6.774 14.754 ( -2.490 4.313 3.131) 5.883 14.864 ( -0.434 0.752 2.859) 2.988 15.302 ( 1.498 -2.595 -9.765) 10.214 15.486 ( 3.484 -6.034 10.798) 12.851 15.686 ( -2.495 4.322 -3.157) 5.905 15.735 ( 0.275 -0.476 0.521) 0.757 15.861 ( 1.350 -2.338 4.520) 5.265 16.375 ( -5.231 9.060 4.586) 11.423 16.486 ( -6.278 10.874 -4.425) 13.313 16.620 ( 2.814 -4.875 1.166) 5.748 16.677 ( 0.436 -0.755 1.203) 1.486 17.465 ( 6.252 -10.828 3.846) 13.082 17.621 ( 9.154 -15.855 -0.225) 18.309 18.108 ( -8.067 13.972 1.999) 16.257 18.163 ( -0.561 0.972 4.686) 4.819 18.347 ( -2.675 4.634 -4.450) 6.960 18.419 ( -5.891 10.204 -5.726) 13.100 19.889 ( -0.009 0.016 -1.081) 1.081 19.937 ( -1.986 3.439 -0.483) 4.000 ======================= Grid point 144 (29/58) ======================= q-point: ( 0.30 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.266 ( 8.181 14.170 2.248) 16.516 3.422 ( 2.669 4.622 -1.740) 5.614 3.536 ( 5.672 9.825 -2.437) 11.603 3.723 ( 6.153 10.657 -3.144) 12.700 3.891 ( -0.853 -1.477 1.290) 2.138 3.924 ( -2.163 -3.746 -3.015) 5.272 4.032 ( -1.999 -3.462 6.994) 8.055 4.060 ( -2.651 -4.593 1.821) 5.607 4.159 ( -6.393 -11.073 7.425) 14.786 4.386 ( -3.455 -5.985 -9.540) 11.780 5.061 ( 1.846 3.197 1.210) 3.885 5.121 ( -1.080 -1.871 -0.227) 2.172 6.294 ( -1.669 -2.891 4.543) 5.638 6.465 ( -0.225 -0.390 -5.852) 5.869 6.773 ( 0.627 1.087 -3.500) 3.718 6.843 ( -3.234 -5.602 -2.101) 6.801 7.099 ( -1.022 -1.770 -6.692) 6.997 7.349 ( 1.779 3.082 4.672) 5.873 7.475 ( -3.656 -6.332 2.592) 7.758 7.687 ( -1.120 -1.939 13.800) 13.980 8.011 ( 1.898 3.287 -2.696) 4.655 8.048 ( 0.546 0.945 -9.535) 9.597 8.375 ( -0.080 -0.138 12.998) 12.999 8.392 ( -0.437 -0.758 4.556) 4.640 8.506 ( -0.660 -1.143 -9.711) 9.800 8.777 ( 1.034 1.790 6.447) 6.770 9.471 ( 3.547 6.144 -3.474) 7.899 9.551 ( 0.304 0.527 -5.481) 5.515 9.848 ( 3.957 6.853 5.963) 9.909 9.861 ( 1.847 3.200 0.543) 3.734 10.052 ( 2.343 4.057 0.272) 4.693 10.104 ( 0.099 0.171 0.072) 0.210 10.405 ( 3.214 5.567 -1.710) 6.652 10.464 ( 2.013 3.487 0.458) 4.052 10.669 ( -2.035 -3.524 -4.252) 5.886 10.800 ( -1.608 -2.784 6.507) 7.258 10.812 ( -1.034 -1.791 5.041) 5.448 10.902 ( -3.369 -5.835 7.386) 9.998 11.186 ( -3.694 -6.398 -4.561) 8.682 11.220 ( -5.972 -10.343 -1.854) 12.086 11.464 ( -0.840 -1.455 -8.617) 8.779 11.632 ( 5.647 9.782 -9.745) 14.918 11.641 ( 3.017 5.225 -16.352) 17.430 11.935 ( -1.133 -1.962 -0.504) 2.321 12.034 ( -2.461 -4.262 7.256) 8.768 12.049 ( -2.999 -5.194 6.899) 9.142 12.585 ( 3.368 5.833 -1.167) 6.836 12.842 ( 0.389 0.673 3.867) 3.945 12.844 ( -1.437 -2.489 4.477) 5.320 12.966 ( 0.906 1.569 0.288) 1.835 13.278 ( -1.515 -2.624 -20.445) 20.668 13.352 ( 1.676 2.903 1.516) 3.679 13.416 ( -1.324 -2.294 0.246) 2.660 13.536 ( -0.113 -0.196 0.119) 0.255 13.590 ( -1.235 -2.139 3.993) 4.695 13.832 ( 2.341 4.055 0.398) 4.699 13.911 ( -0.056 -0.096 1.476) 1.480 13.971 ( -0.352 -0.610 -0.024) 0.704 14.017 ( 0.143 0.247 1.270) 1.301 14.102 ( -4.081 -7.069 -1.720) 8.342 14.308 ( 1.512 2.619 2.745) 4.084 14.354 ( -1.292 -2.237 1.066) 2.794 14.433 ( 0.943 1.633 2.242) 2.929 14.486 ( 5.959 10.321 7.856) 14.274 14.704 ( 0.167 0.290 -2.817) 2.837 14.860 ( -7.241 -12.541 3.698) 14.946 15.102 ( 2.722 4.714 -2.184) 5.865 15.212 ( -1.912 -3.312 -3.231) 5.006 15.388 ( 2.359 4.087 -0.417) 4.737 15.644 ( 4.598 7.963 -0.406) 9.204 15.736 ( -2.721 -4.712 2.693) 6.071 15.875 ( -5.192 -8.992 -3.596) 10.988 16.165 ( 5.225 9.050 5.939) 12.020 16.421 ( -5.791 -10.030 10.817) 15.847 16.448 ( 0.105 0.181 -6.616) 6.619 16.827 ( 3.490 6.046 -3.574) 7.843 16.988 ( -2.926 -5.067 -4.138) 7.167 17.714 ( 1.042 1.806 -7.295) 7.587 17.966 ( 0.309 0.535 18.272) 18.282 18.855 ( 1.347 2.333 -7.572) 8.037 18.939 ( 1.771 3.067 1.501) 3.847 18.976 ( -0.031 -0.054 1.695) 1.696 20.019 ( 0.890 1.541 -2.047) 2.712 20.048 ( -0.404 -0.699 -2.146) 2.293 ======================= Grid point 149 (30/58) ======================= q-point: (-0.20 0.30 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.059 ( -14.238 23.790 14.473) 31.276 2.165 ( -23.100 26.455 4.402) 35.396 2.898 ( -7.422 8.134 -12.831) 16.908 3.014 ( -6.683 7.443 -16.691) 19.459 3.295 ( -27.183 28.450 15.511) 42.295 3.985 ( 1.744 -3.018 0.117) 3.488 4.245 ( 2.713 -2.792 0.343) 3.908 4.325 ( 3.223 -2.993 0.052) 4.399 4.843 ( 10.941 -10.495 2.771) 15.412 5.001 ( 3.728 -9.235 2.827) 10.352 5.237 ( 5.373 -1.998 0.020) 5.732 5.296 ( 2.334 -2.785 -1.781) 4.047 6.028 ( -9.727 7.462 2.233) 12.461 6.447 ( -1.503 -0.491 -3.403) 3.752 6.810 ( -9.333 16.781 1.364) 19.250 6.931 ( -6.944 5.389 -8.320) 12.103 7.468 ( 4.353 -1.095 1.435) 4.712 7.536 ( -1.193 -0.495 4.207) 4.401 7.632 ( 2.841 -5.506 -3.309) 7.024 7.777 ( 0.496 -1.104 -1.494) 1.923 7.839 ( 7.375 -10.322 -0.578) 12.700 8.091 ( 2.558 0.632 4.741) 5.424 8.271 ( 0.377 -8.164 5.020) 9.591 8.460 ( 3.035 -1.998 -0.162) 3.637 8.516 ( -3.251 2.682 1.288) 4.407 8.812 ( -1.855 -1.567 -1.286) 2.748 8.960 ( 4.340 -1.742 -2.394) 5.254 9.239 ( -3.437 9.728 -6.238) 12.057 9.435 ( -4.195 0.538 3.330) 5.383 9.750 ( 2.738 6.522 5.685) 9.075 9.905 ( -1.858 -4.851 1.605) 5.437 10.105 ( -3.730 5.762 4.852) 8.406 10.421 ( 8.721 -3.160 -10.806) 14.241 10.528 ( 4.003 -2.105 0.474) 4.547 10.690 ( 4.952 -7.350 4.403) 9.896 10.793 ( 0.105 0.577 -1.219) 1.353 10.972 ( -4.008 2.608 6.023) 7.690 11.186 ( 5.505 -0.544 -6.736) 8.716 11.254 ( 1.357 -5.131 -2.821) 6.010 11.456 ( -5.188 -2.043 1.433) 5.757 11.561 ( -2.331 -0.250 -4.407) 4.992 11.826 ( 6.019 -6.816 -0.607) 9.113 11.916 ( 1.599 1.694 -1.804) 2.946 12.041 ( 7.248 -6.625 -0.977) 9.868 12.350 ( 9.005 -7.873 -5.072) 12.992 12.394 ( 10.389 -10.021 -3.554) 14.866 12.502 ( -3.754 -2.703 -0.697) 4.679 12.723 ( -3.280 1.634 13.546) 14.033 12.961 ( 3.005 4.230 0.339) 5.200 13.046 ( -3.483 0.594 -8.580) 9.279 13.143 ( 3.649 -0.645 3.853) 5.346 13.286 ( -5.270 -2.993 -0.427) 6.075 13.385 ( 2.100 0.901 -0.249) 2.299 13.433 ( -2.667 1.876 -3.016) 4.442 13.490 ( -3.163 1.442 -2.467) 4.263 13.791 ( 4.872 0.457 4.515) 6.658 13.955 ( -0.528 -7.822 5.418) 9.530 14.031 ( 6.325 4.249 -2.747) 8.100 14.045 ( -2.158 -0.738 2.069) 3.079 14.125 ( -0.568 -2.811 -0.665) 2.943 14.280 ( 1.298 3.360 -1.676) 3.973 14.498 ( -6.944 3.452 5.183) 9.327 14.569 ( 0.921 2.127 -0.889) 2.482 14.644 ( -6.338 0.657 -7.578) 9.900 14.677 ( -2.666 3.697 -2.072) 5.007 14.804 ( 2.470 3.833 5.001) 6.768 14.930 ( -4.472 3.193 7.110) 8.985 15.225 ( 4.600 -2.963 -8.899) 10.446 15.332 ( 5.845 -1.034 12.660) 13.983 15.731 ( 0.610 -2.452 -4.511) 5.170 15.769 ( 0.634 -0.009 7.260) 7.288 15.845 ( -6.815 -0.128 -2.774) 7.359 16.394 ( 6.069 -3.745 0.625) 7.159 16.489 ( 2.458 -3.627 -2.146) 4.879 16.717 ( -4.604 3.313 -5.442) 7.861 16.732 ( -3.398 6.705 6.210) 9.750 17.228 ( 6.915 -8.247 1.128) 10.822 17.324 ( 7.218 -10.512 0.642) 12.768 18.172 ( 0.150 1.154 6.651) 6.752 18.413 ( -8.964 10.767 -1.418) 14.082 18.479 ( -5.906 7.378 -1.323) 9.543 18.656 ( -8.940 7.250 -3.766) 12.111 19.902 ( -0.501 1.639 -1.293) 2.147 20.008 ( -2.171 2.330 -1.812) 3.665 ======================= Grid point 160 (31/58) ======================= q-point: (-0.30 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.527 ( -12.493 19.695 8.949) 24.981 2.824 ( -22.063 22.046 1.303) 31.217 3.075 ( -2.806 6.454 -8.086) 10.720 3.253 ( -11.463 8.281 -14.240) 20.069 3.924 ( -2.592 1.239 4.158) 5.054 3.942 ( -13.496 10.047 4.112) 17.320 4.150 ( 4.168 -2.774 1.403) 5.199 4.241 ( 3.147 -1.931 1.942) 4.172 4.525 ( 10.922 -10.319 5.222) 15.908 4.834 ( 3.548 -10.054 2.656) 10.987 5.102 ( 8.136 -0.642 0.318) 8.168 5.229 ( 2.169 -1.623 -1.824) 3.265 6.308 ( -12.614 6.885 -0.495) 14.379 6.442 ( -1.165 -5.424 -2.276) 5.997 6.929 ( 2.617 2.899 0.730) 3.973 7.066 ( -0.777 -0.091 -5.546) 5.601 7.354 ( 8.425 1.451 6.764) 10.902 7.498 ( 1.026 -12.145 -3.332) 12.636 7.581 ( -1.626 -2.656 -0.981) 3.265 7.672 ( 3.506 -2.562 2.344) 4.934 7.788 ( -4.601 -1.478 -0.459) 4.854 7.965 ( 2.726 -4.853 -2.894) 6.273 8.260 ( -6.215 1.962 2.837) 7.108 8.407 ( 2.547 -3.157 3.062) 5.082 8.572 ( -0.017 0.711 -1.233) 1.423 8.919 ( -7.405 1.036 2.184) 7.790 8.962 ( -0.963 5.978 -0.882) 6.119 9.302 ( 4.761 6.481 0.984) 8.102 9.552 ( -4.009 4.521 -2.775) 6.649 9.820 ( -0.088 11.667 3.494) 12.179 9.909 ( -1.640 1.732 0.985) 2.581 10.202 ( 4.295 0.045 -0.365) 4.311 10.290 ( -0.022 2.436 2.277) 3.334 10.439 ( 3.992 0.999 3.059) 5.127 10.549 ( 3.481 -3.721 5.427) 7.444 10.810 ( -0.884 1.121 -8.111) 8.236 11.036 ( 5.230 -4.247 -1.530) 6.908 11.088 ( -2.852 -0.831 1.851) 3.500 11.240 ( -0.605 2.277 -6.698) 7.100 11.427 ( 1.876 -4.034 -0.468) 4.473 11.588 ( -4.229 -4.200 -3.923) 7.135 11.692 ( 1.889 -11.902 -2.756) 12.362 11.847 ( 4.157 -8.375 -2.570) 9.697 11.910 ( 2.810 -2.701 1.863) 4.320 11.988 ( 10.828 -7.460 -7.154) 14.970 12.192 ( 6.183 -0.190 -2.090) 6.529 12.614 ( -4.046 3.277 0.325) 5.217 12.808 ( -2.910 -0.053 3.378) 4.459 12.935 ( 1.123 0.459 7.397) 7.496 13.095 ( 1.805 1.378 -3.753) 4.387 13.105 ( -2.348 1.586 -1.772) 3.342 13.335 ( -4.699 -4.692 4.679) 8.123 13.380 ( 1.574 1.256 -0.864) 2.192 13.466 ( 0.284 3.977 -5.225) 6.572 13.619 ( -2.330 4.010 -0.572) 4.673 13.747 ( -1.024 0.311 3.116) 3.295 13.830 ( 3.396 -4.342 4.950) 7.408 13.986 ( 3.194 2.844 -2.516) 4.962 14.075 ( 2.965 0.771 -0.335) 3.082 14.108 ( -2.400 -0.865 0.054) 2.552 14.292 ( -0.947 0.099 -0.790) 1.237 14.486 ( 4.847 0.962 5.767) 7.594 14.610 ( -0.734 -1.546 1.451) 2.243 14.691 ( 0.476 1.728 0.558) 1.878 14.781 ( -0.117 0.388 0.973) 1.054 14.871 ( -9.912 1.857 -5.330) 11.406 14.989 ( 1.031 -0.356 -1.520) 1.871 15.121 ( 1.457 1.361 7.275) 7.544 15.342 ( -3.048 2.386 -0.004) 3.871 15.630 ( 2.850 -6.439 -3.696) 7.953 15.787 ( -1.360 1.069 10.309) 10.454 15.961 ( -5.246 -0.882 -4.969) 7.280 16.191 ( 9.456 -5.406 0.292) 10.896 16.415 ( 6.227 0.328 -8.036) 10.172 16.684 ( 2.451 -6.879 1.664) 7.490 16.848 ( -1.743 6.433 11.347) 13.159 17.145 ( 3.999 -5.584 -1.368) 7.003 17.180 ( -5.176 -0.968 -6.646) 8.479 18.187 ( -0.714 0.657 8.610) 8.665 18.586 ( -2.893 6.643 -5.669) 9.200 18.711 ( -7.765 7.844 2.880) 11.407 18.850 ( -6.080 3.865 -1.904) 7.452 19.938 ( -1.036 2.469 -1.328) 2.988 20.050 ( -0.467 1.061 -2.553) 2.804 ======================= Grid point 161 (32/58) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.533 ( -12.601 21.825 10.324) 27.234 2.729 ( -16.117 27.915 2.820) 32.356 3.099 ( -6.087 10.542 -9.244) 15.285 3.179 ( -5.140 8.903 -14.665) 17.910 3.835 ( -12.602 21.828 6.478) 26.024 3.926 ( 1.544 -2.674 2.942) 4.265 4.178 ( 2.154 -3.732 0.553) 4.344 4.260 ( 1.953 -3.382 1.963) 4.371 4.584 ( 8.469 -14.668 2.090) 17.066 4.806 ( 5.161 -8.939 4.288) 11.178 5.176 ( 2.196 -3.804 0.700) 4.448 5.237 ( 1.607 -2.783 -1.586) 3.583 6.224 ( -6.443 11.160 -0.523) 12.897 6.397 ( 2.339 -4.052 -1.908) 5.053 6.994 ( -0.154 0.267 -6.434) 6.441 7.040 ( -1.703 2.949 4.940) 6.000 7.399 ( 4.252 -7.364 -9.202) 12.529 7.498 ( 1.478 -2.559 8.031) 8.558 7.543 ( 1.213 -2.100 4.380) 5.006 7.664 ( 2.906 -5.033 -1.817) 6.089 7.743 ( 1.205 -2.088 -0.314) 2.431 7.974 ( 6.669 -11.552 -3.070) 13.688 8.208 ( -5.023 8.700 1.382) 10.140 8.408 ( 3.137 -5.433 1.759) 6.515 8.586 ( -1.512 2.619 0.410) 3.052 8.845 ( -2.156 3.735 2.663) 5.068 8.984 ( -3.308 5.729 -0.098) 6.616 9.417 ( -2.954 5.117 -6.827) 9.029 9.508 ( -3.754 6.502 3.796) 8.413 9.895 ( -2.799 4.848 1.377) 5.764 9.897 ( -4.147 7.183 3.188) 8.886 10.238 ( -2.458 4.257 7.049) 8.593 10.319 ( 2.310 -4.002 -3.090) 5.559 10.495 ( 0.847 -1.467 2.740) 3.221 10.563 ( 2.004 -3.471 1.530) 4.290 10.794 ( 0.536 -0.928 -5.236) 5.345 11.048 ( -2.048 3.547 4.987) 6.454 11.077 ( 4.685 -8.114 -1.182) 9.444 11.255 ( -2.303 3.988 -7.584) 8.873 11.400 ( 2.885 -4.998 2.634) 6.343 11.510 ( 1.032 -1.788 -13.148) 13.309 11.665 ( 5.688 -9.852 -2.090) 11.566 11.824 ( 7.876 -13.642 2.182) 15.903 11.926 ( 1.238 -2.144 3.484) 4.274 12.068 ( 6.321 -10.948 -14.105) 18.941 12.252 ( 2.790 -4.832 -0.644) 5.617 12.600 ( -3.569 6.181 -3.596) 7.992 12.731 ( 0.177 -0.307 13.084) 13.089 12.959 ( 0.739 -1.280 1.376) 2.019 13.121 ( -2.450 4.244 -9.620) 10.797 13.154 ( -0.228 0.395 7.813) 7.826 13.204 ( 0.846 -1.466 3.581) 3.961 13.477 ( 0.413 -0.715 -5.840) 5.899 13.499 ( -2.328 4.031 1.108) 4.785 13.540 ( -5.203 9.013 -5.005) 11.548 13.771 ( 1.376 -2.384 0.518) 2.801 13.793 ( 3.708 -6.423 9.098) 11.738 14.023 ( 1.065 -1.845 -0.440) 2.176 14.079 ( -1.563 2.708 -0.454) 3.160 14.122 ( -0.778 1.348 1.079) 1.894 14.320 ( -0.041 0.071 -2.208) 2.210 14.552 ( 0.192 -0.332 5.350) 5.364 14.585 ( -0.997 1.727 5.942) 6.267 14.719 ( -3.225 5.586 -9.220) 11.252 14.728 ( 0.049 -0.084 -1.242) 1.246 14.782 ( 2.207 -3.823 -3.665) 5.738 15.053 ( -4.294 7.437 5.539) 10.218 15.201 ( 0.871 -1.508 -6.549) 6.777 15.222 ( 3.887 -6.733 15.309) 17.170 15.619 ( 3.836 -6.644 -7.100) 10.453 15.786 ( -1.197 2.073 14.512) 14.708 15.911 ( -2.466 4.271 -4.726) 6.830 16.259 ( 4.667 -8.084 0.944) 9.383 16.457 ( -0.714 1.236 -6.461) 6.617 16.678 ( 4.350 -7.535 -6.141) 10.649 16.867 ( -3.023 5.236 12.663) 14.032 17.130 ( 0.358 -0.620 -6.739) 6.777 17.156 ( 3.335 -5.777 -0.564) 6.695 18.175 ( 0.147 -0.255 9.371) 9.375 18.605 ( -4.724 8.183 -7.230) 11.897 18.681 ( -6.028 10.441 3.367) 12.517 18.806 ( -3.921 6.791 -2.062) 8.108 19.946 ( -1.412 2.445 -1.214) 3.073 20.049 ( -0.836 1.447 -2.253) 2.805 ======================= Grid point 171 (33/58) ======================= q-point: (-0.40 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.867 ( -4.807 13.745 4.460) 15.229 3.116 ( 3.309 4.124 -4.273) 6.798 3.360 ( -14.016 14.709 -0.931) 20.339 3.548 ( -9.911 7.490 -10.337) 16.161 3.865 ( 3.690 -1.793 1.753) 4.462 3.939 ( 8.262 -3.762 -1.734) 9.243 4.085 ( 5.870 -6.559 3.079) 9.325 4.225 ( 0.000 -0.994 4.574) 4.680 4.465 ( -11.938 -2.392 4.952) 13.144 4.684 ( 3.228 -6.744 2.863) 8.006 4.959 ( 7.850 3.017 2.475) 8.767 5.196 ( 0.818 0.086 -2.102) 2.257 6.384 ( -1.294 -7.076 -0.760) 7.234 6.575 ( -8.978 2.833 -3.294) 9.974 6.914 ( 0.190 -0.201 -0.187) 0.333 7.008 ( 1.686 -1.604 -2.990) 3.788 7.207 ( 7.477 -1.245 6.006) 9.671 7.390 ( -0.833 -7.691 -5.834) 9.689 7.522 ( -0.746 -6.815 -1.071) 6.939 7.547 ( 3.881 -1.630 5.683) 7.072 7.908 ( -9.008 -5.715 -3.234) 11.147 8.041 ( -6.181 -0.854 -1.464) 6.409 8.327 ( -1.138 1.789 4.839) 5.283 8.415 ( 0.434 3.767 3.537) 5.186 8.549 ( 0.041 -1.694 -3.623) 4.000 8.990 ( 4.641 7.016 2.230) 8.703 9.047 ( -3.415 0.393 0.902) 3.554 9.268 ( 3.950 4.961 4.210) 7.612 9.640 ( 1.117 7.081 -4.149) 8.283 9.944 ( -1.386 7.261 3.052) 7.997 9.971 ( 3.018 10.147 2.881) 10.971 10.091 ( 3.877 -2.013 -3.396) 5.533 10.325 ( 0.469 2.409 5.231) 5.778 10.398 ( 3.410 2.966 6.359) 7.801 10.516 ( 0.785 2.233 1.567) 2.839 10.834 ( 0.842 2.024 -6.419) 6.783 10.927 ( -1.424 -6.967 -4.814) 8.587 11.080 ( -1.599 -5.738 1.704) 6.195 11.211 ( 3.779 1.428 -8.804) 9.686 11.466 ( -1.211 2.844 -11.331) 11.745 11.538 ( -2.148 -11.955 -2.208) 12.346 11.573 ( -1.835 -9.440 1.716) 9.769 11.685 ( -0.568 -7.668 1.390) 7.814 11.788 ( 3.234 1.362 0.908) 3.624 11.980 ( -4.304 0.633 -3.621) 5.661 12.097 ( 4.888 -2.660 -2.710) 6.189 12.693 ( -2.276 0.476 -2.658) 3.531 12.815 ( 0.007 -1.301 1.726) 2.161 12.962 ( -1.240 4.909 6.322) 8.099 13.055 ( 3.942 0.196 2.882) 4.887 13.195 ( -4.825 2.330 -3.378) 6.334 13.307 ( 4.433 -1.111 -1.414) 4.784 13.391 ( -4.407 -4.992 6.406) 9.240 13.499 ( 1.409 4.445 -3.271) 5.695 13.569 ( 3.493 -1.273 0.422) 3.742 13.781 ( 3.468 3.634 0.676) 5.068 13.829 ( -2.512 2.035 0.517) 3.274 13.979 ( 2.266 3.930 4.221) 6.196 14.061 ( 0.644 3.320 -4.454) 5.593 14.129 ( -1.214 0.486 -0.125) 1.314 14.311 ( -2.689 -2.960 -0.933) 4.106 14.403 ( 4.575 -1.141 3.376) 5.800 14.588 ( 0.519 -0.398 4.135) 4.186 14.671 ( -1.580 -4.565 -4.755) 6.778 14.807 ( 0.236 1.575 -2.034) 2.583 14.923 ( 0.634 0.505 9.636) 9.670 15.046 ( -7.112 -5.132 -3.467) 9.431 15.175 ( -0.162 6.517 6.368) 9.113 15.366 ( -0.563 -5.780 0.366) 5.818 15.562 ( -0.332 -1.422 -7.391) 7.534 15.879 ( -6.876 4.638 6.436) 10.497 16.010 ( 1.273 -1.384 -0.364) 1.915 16.015 ( 3.573 0.201 -0.742) 3.655 16.200 ( 11.107 -5.666 -9.528) 15.692 16.656 ( -1.326 -0.102 6.052) 6.197 16.915 ( 0.610 4.351 12.777) 13.512 17.060 ( 0.527 -3.353 -3.714) 5.032 17.262 ( -4.958 -3.577 -11.254) 12.807 18.204 ( -0.646 -0.040 9.817) 9.839 18.668 ( 0.696 5.371 -4.835) 7.260 18.868 ( -2.852 3.384 1.911) 4.820 18.945 ( -1.650 1.394 -0.645) 2.254 19.982 ( -0.750 2.252 -2.124) 3.185 20.049 ( 0.955 0.277 -2.268) 2.476 ======================= Grid point 172 (34/58) ======================= q-point: (-0.30 0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -7.934 19.294 6.036) 21.717 3.246 ( 0.632 11.548 -4.527) 12.419 3.274 ( -13.897 19.470 -0.010) 23.921 3.421 ( -12.119 7.531 -9.732) 17.272 3.879 ( 0.938 -2.028 2.668) 3.480 4.046 ( 5.180 -1.720 -1.586) 5.684 4.128 ( 2.619 -2.561 1.658) 4.020 4.194 ( -0.512 -3.093 2.291) 3.883 4.297 ( 3.129 -12.104 3.960) 13.114 4.671 ( 1.564 -3.725 4.268) 5.877 5.090 ( 4.741 -0.129 1.652) 5.022 5.194 ( 0.250 -1.896 -0.863) 2.098 6.298 ( 1.199 -7.377 -0.703) 7.507 6.456 ( -8.071 6.553 -2.549) 10.704 6.934 ( 2.908 -2.183 -2.566) 4.451 7.019 ( 1.842 -2.674 1.128) 3.438 7.249 ( 0.709 -10.727 -5.474) 12.063 7.360 ( 8.981 -3.464 3.622) 10.285 7.458 ( 1.584 -8.564 0.211) 8.712 7.564 ( 2.069 -4.826 6.719) 8.527 7.766 ( -3.708 -0.008 -3.450) 5.065 7.935 ( -3.938 0.440 -4.722) 6.165 8.326 ( -0.415 0.664 4.191) 4.264 8.410 ( -5.589 7.617 -0.819) 9.483 8.599 ( 2.735 1.151 1.106) 3.167 8.913 ( -3.878 -1.370 5.454) 6.831 9.149 ( -3.044 11.310 -1.779) 11.847 9.427 ( 5.683 4.118 -3.005) 7.634 9.679 ( -5.687 7.427 2.950) 9.808 9.988 ( 0.653 5.605 0.859) 5.707 10.052 ( -2.210 7.644 3.625) 8.743 10.213 ( 2.234 3.961 -0.361) 4.562 10.359 ( -1.327 3.978 4.997) 6.524 10.483 ( 1.520 3.305 5.264) 6.399 10.554 ( -0.065 3.917 1.746) 4.289 10.755 ( -1.169 -7.642 -7.113) 10.505 10.922 ( 3.786 -5.804 0.913) 6.989 11.057 ( 2.759 -1.151 3.352) 4.491 11.255 ( 2.222 -9.009 -9.544) 13.311 11.367 ( -2.064 0.971 -7.736) 8.065 11.471 ( 1.006 -3.310 -3.888) 5.204 11.500 ( 4.050 -9.588 -1.687) 10.544 11.566 ( -1.945 -8.849 -8.418) 12.367 11.846 ( 3.256 -2.634 5.353) 6.797 11.954 ( 1.054 -0.402 -4.569) 4.706 12.163 ( 4.537 -3.439 -0.835) 5.754 12.671 ( -0.730 1.157 -4.941) 5.127 12.725 ( -2.798 -5.783 4.577) 7.888 12.979 ( -1.315 4.530 0.916) 4.805 13.140 ( 2.800 3.447 4.984) 6.676 13.206 ( -1.537 6.313 -5.683) 8.633 13.249 ( -5.400 -2.873 11.537) 13.058 13.411 ( 5.376 1.480 -4.560) 7.203 13.551 ( -1.051 -0.509 -3.729) 3.908 13.635 ( 6.801 -2.607 3.785) 8.209 13.748 ( -4.281 -3.210 -2.221) 5.793 13.773 ( -5.885 5.772 -3.439) 8.932 14.021 ( -0.514 1.728 2.444) 3.037 14.133 ( 0.884 4.326 0.575) 4.453 14.159 ( -0.341 4.611 3.448) 5.768 14.301 ( 1.042 0.553 0.511) 1.286 14.483 ( 4.807 -3.215 1.290) 5.926 14.595 ( 1.890 -9.008 -0.398) 9.213 14.608 ( 1.709 2.645 8.682) 9.235 14.820 ( -3.256 2.180 0.631) 3.969 14.864 ( -6.817 -0.231 -7.361) 10.036 15.010 ( 9.204 -0.196 2.110) 9.445 15.150 ( -0.979 -3.412 6.759) 7.635 15.258 ( -6.763 -2.727 -2.133) 7.597 15.519 ( 0.062 -4.653 -7.973) 9.232 15.829 ( -1.885 1.829 11.681) 11.973 15.994 ( -2.450 3.143 -1.666) 4.319 16.118 ( 4.833 -0.837 4.138) 6.417 16.351 ( 11.156 -8.785 -10.689) 17.772 16.622 ( -3.748 3.577 1.749) 5.468 16.944 ( -1.235 2.807 14.705) 15.021 17.055 ( 2.916 -3.696 -4.099) 6.243 17.162 ( -3.109 -1.051 -13.799) 14.184 18.172 ( -0.867 -1.490 10.928) 11.063 18.744 ( -1.132 7.918 -6.370) 10.224 18.857 ( -3.621 5.959 2.322) 7.349 18.919 ( -3.176 2.630 -0.746) 4.190 19.996 ( -0.976 2.826 -1.281) 3.252 20.062 ( 0.272 0.085 -2.370) 2.387 ======================= Grid point 181 (35/58) ======================= q-point: (-0.40 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.147 ( 6.979 12.089 3.633) 14.424 3.250 ( 5.154 8.926 -3.221) 10.799 3.588 ( 3.482 6.031 -0.210) 6.968 3.651 ( 0.030 0.051 -7.022) 7.022 3.856 ( 0.557 0.965 -1.407) 1.794 3.911 ( 1.548 2.681 -0.938) 3.235 3.952 ( -2.445 -4.235 3.992) 6.313 4.182 ( -1.834 -3.176 4.074) 5.482 4.256 ( -7.778 -13.473 2.146) 15.704 4.657 ( 0.296 0.513 2.463) 2.533 5.038 ( 2.517 4.360 2.677) 5.702 5.185 ( -0.744 -1.288 -0.543) 1.583 6.242 ( -3.378 -5.851 0.076) 6.756 6.578 ( -1.157 -2.005 -3.552) 4.240 6.893 ( -0.112 -0.194 -2.989) 2.998 6.989 ( -0.720 -1.247 -0.250) 1.461 7.198 ( -5.337 -9.244 -7.137) 12.840 7.211 ( 1.386 2.401 5.772) 6.404 7.392 ( -3.098 -5.366 -1.609) 6.401 7.524 ( -0.778 -1.348 9.918) 10.039 7.816 ( -1.494 -2.588 -4.930) 5.765 7.952 ( -3.079 -5.332 -5.233) 8.081 8.408 ( 2.050 3.551 7.472) 8.524 8.506 ( 2.509 4.346 5.586) 7.509 8.539 ( 0.465 0.805 -5.407) 5.487 8.942 ( -2.552 -4.421 6.329) 8.132 9.266 ( 6.748 11.687 -4.186) 14.130 9.358 ( 2.274 3.939 -1.341) 4.742 9.795 ( 3.777 6.543 1.149) 7.642 9.986 ( -0.651 -1.128 3.437) 3.675 10.097 ( 4.700 8.141 3.817) 10.146 10.245 ( 3.822 6.620 2.777) 8.133 10.413 ( 3.735 6.470 -0.885) 7.523 10.488 ( 3.021 5.233 7.346) 9.511 10.589 ( 2.248 3.893 2.158) 4.987 10.715 ( -6.307 -10.925 -6.862) 14.360 10.849 ( -1.600 -2.771 2.456) 4.033 10.995 ( -0.494 -0.856 -0.068) 0.991 11.189 ( -3.968 -6.873 -9.709) 12.539 11.316 ( -6.291 -10.897 -1.697) 12.697 11.401 ( 0.129 0.223 -4.086) 4.094 11.504 ( 0.197 0.341 -13.417) 13.423 11.574 ( -2.428 -4.205 -5.675) 7.469 11.804 ( -0.226 -0.392 6.617) 6.633 12.002 ( -0.704 -1.220 -2.990) 3.305 12.033 ( 0.066 0.115 1.332) 1.339 12.686 ( -0.359 -0.621 -9.160) 9.188 12.713 ( -3.895 -6.746 3.775) 8.656 13.044 ( 1.951 3.379 8.552) 9.400 13.117 ( 2.948 5.105 -4.300) 7.297 13.287 ( -2.657 -4.602 11.821) 12.961 13.290 ( 2.897 5.018 -0.914) 5.866 13.344 ( 2.248 3.894 -2.364) 5.080 13.535 ( -0.585 -1.014 1.256) 1.717 13.561 ( -0.175 -0.303 -5.711) 5.722 13.741 ( -3.490 -6.044 -2.480) 7.407 13.907 ( 3.167 5.485 -3.729) 7.350 14.037 ( 0.113 0.195 2.817) 2.826 14.144 ( 3.488 6.041 0.925) 7.037 14.194 ( 2.799 4.848 3.963) 6.859 14.316 ( 0.970 1.681 0.048) 1.941 14.370 ( -0.743 -1.287 3.925) 4.197 14.544 ( -4.349 -7.533 -1.029) 8.759 14.604 ( 1.368 2.370 5.713) 6.335 14.853 ( -2.145 -3.715 12.951) 13.643 14.921 ( 3.962 6.862 -7.005) 10.576 14.933 ( -3.370 -5.837 -3.588) 7.635 15.127 ( -5.841 -10.116 1.240) 11.747 15.308 ( 1.715 2.970 1.889) 3.916 15.500 ( -2.539 -4.398 -7.617) 9.155 15.916 ( -1.704 -2.951 0.003) 3.407 16.030 ( -1.247 -2.159 -6.880) 7.317 16.076 ( 2.736 4.738 8.287) 9.930 16.123 ( 1.971 3.414 3.348) 5.172 16.699 ( 2.199 3.809 0.322) 4.410 16.973 ( 0.863 1.495 14.600) 14.701 16.995 ( -1.739 -3.012 -5.643) 6.629 17.187 ( -2.017 -3.494 -16.176) 16.671 18.173 ( -1.265 -2.192 11.387) 11.665 18.796 ( 3.536 6.125 -5.673) 9.067 18.920 ( 0.992 1.718 1.845) 2.709 18.964 ( 0.111 0.192 -0.373) 0.434 20.028 ( 1.008 1.746 -2.431) 3.158 20.052 ( 0.039 0.067 -1.351) 1.353 ======================= Grid point 183 (36/58) ======================= q-point: (-0.30 0.60 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.282 ( -7.661 13.268 2.836) 15.581 3.424 ( -1.523 2.638 -1.582) 3.433 3.563 ( -4.294 7.437 -6.180) 10.580 3.634 ( -7.380 12.783 1.703) 14.859 3.854 ( -0.221 0.382 0.701) 0.828 3.980 ( 5.999 -10.390 -0.258) 12.001 3.986 ( 3.308 -5.730 -1.324) 6.747 4.055 ( 2.365 -4.096 1.957) 5.119 4.119 ( 2.807 -4.862 3.713) 6.730 4.661 ( -0.382 0.662 2.146) 2.278 5.103 ( -0.647 1.120 1.920) 2.315 5.155 ( 0.968 -1.677 0.371) 1.972 6.177 ( 2.051 -3.552 0.451) 4.126 6.547 ( -1.126 1.950 -3.511) 4.171 6.905 ( -0.208 0.361 -3.421) 3.446 6.962 ( 1.627 -2.818 1.528) 3.595 7.092 ( 2.141 -3.708 -8.859) 9.839 7.274 ( 1.892 -3.276 4.292) 5.721 7.311 ( 2.395 -4.149 -0.292) 4.799 7.502 ( 0.878 -1.520 11.713) 11.844 7.794 ( -1.519 2.631 -5.481) 6.267 7.889 ( 2.328 -4.032 -7.162) 8.542 8.441 ( -4.481 7.761 7.490) 11.680 8.531 ( -1.852 3.207 -1.458) 3.980 8.585 ( 1.700 -2.945 2.962) 4.510 8.886 ( 0.479 -0.830 6.839) 6.906 9.359 ( -4.424 7.663 -4.298) 9.837 9.448 ( 0.899 -1.558 -5.471) 5.759 9.854 ( -4.992 8.646 4.603) 10.993 10.002 ( 1.638 -2.837 2.218) 3.956 10.218 ( -3.602 6.238 2.969) 7.791 10.290 ( -0.885 1.533 4.701) 5.023 10.498 ( -4.942 8.560 1.300) 9.969 10.549 ( 2.624 -4.545 -0.639) 5.287 10.575 ( -0.084 0.145 1.300) 1.310 10.644 ( -1.958 3.392 2.277) 4.530 10.792 ( 4.374 -7.576 3.490) 9.419 11.029 ( 1.524 -2.640 7.528) 8.122 11.060 ( 1.934 -3.349 -10.820) 11.490 11.180 ( 6.404 -11.092 -2.820) 13.114 11.457 ( -1.029 1.783 -10.117) 10.324 11.485 ( -1.030 1.784 -15.423) 15.560 11.523 ( -0.034 0.059 -11.442) 11.442 11.791 ( 1.326 -2.297 9.206) 9.580 11.968 ( -1.327 2.299 1.062) 2.859 12.061 ( 3.161 -5.475 0.712) 6.362 12.630 ( 1.355 -2.347 5.619) 6.239 12.679 ( 0.127 -0.219 -12.334) 12.337 13.094 ( -3.139 5.437 3.112) 7.007 13.193 ( 0.899 -1.557 8.356) 8.547 13.215 ( -0.864 1.496 -1.266) 2.142 13.344 ( -3.554 6.156 1.510) 7.267 13.410 ( 0.919 -1.591 -0.131) 1.842 13.518 ( 0.108 -0.188 -2.508) 2.518 13.586 ( 2.405 -4.165 1.311) 4.985 13.607 ( 2.575 -4.461 -7.279) 8.917 13.986 ( -5.335 9.241 -7.283) 12.919 14.037 ( -0.093 0.162 1.768) 1.778 14.247 ( -2.277 3.944 2.721) 5.305 14.257 ( -2.538 4.396 6.323) 8.108 14.312 ( -0.698 1.210 3.474) 3.744 14.396 ( 4.182 -7.243 3.375) 9.019 14.407 ( 2.484 -4.302 1.341) 5.146 14.659 ( -0.767 1.328 16.201) 16.273 14.776 ( 1.524 -2.639 -1.331) 3.325 14.834 ( 3.540 -6.131 6.158) 9.383 15.007 ( -1.849 3.203 -5.103) 6.303 15.069 ( 1.255 -2.173 -6.965) 7.404 15.322 ( -2.551 4.418 -3.830) 6.379 15.443 ( 1.290 -2.234 -6.479) 6.974 15.856 ( -1.514 2.622 1.218) 3.264 15.996 ( 3.371 -5.839 -9.441) 11.601 16.141 ( -0.990 1.715 11.674) 11.841 16.180 ( 1.988 -3.443 10.052) 10.809 16.762 ( -4.460 7.724 -4.556) 10.015 16.947 ( 2.792 -4.836 -2.731) 6.216 16.989 ( 0.140 -0.242 12.731) 12.735 17.144 ( 0.289 -0.500 -18.832) 18.841 18.145 ( 0.471 -0.815 11.816) 11.853 18.874 ( -2.233 3.867 -6.438) 7.835 18.942 ( -1.118 1.936 1.253) 2.563 18.953 ( -0.476 0.825 0.812) 1.251 20.041 ( -0.809 1.401 -1.303) 2.077 20.057 ( 0.255 -0.443 -2.103) 2.164 ======================= Grid point 218 (37/58) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 58 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.000 0.000 35.587) 35.587 1.492 ( -0.000 0.000 35.587) 35.587 2.132 ( 0.000 0.000 -29.462) 29.462 2.132 ( -0.000 -0.000 -29.462) 29.462 2.427 ( 0.000 0.000 57.753) 57.753 3.460 ( -0.000 -0.000 -46.908) 46.908 4.386 ( -0.000 0.000 1.562) 1.562 4.424 ( 0.000 0.000 -2.559) 2.559 5.345 ( 0.000 -0.000 2.213) 2.213 5.345 ( -0.000 0.000 2.213) 2.213 5.373 ( 0.000 0.000 -0.257) 0.257 5.373 ( 0.000 -0.000 -0.257) 0.257 5.915 ( 0.000 -0.000 12.617) 12.617 5.915 ( 0.000 -0.000 12.617) 12.617 6.171 ( 0.000 0.000 -12.629) 12.629 6.171 ( 0.000 0.000 -12.629) 12.629 7.581 ( 0.000 0.000 5.585) 5.585 7.581 ( 0.000 -0.000 5.585) 5.585 7.667 ( 0.000 -0.000 -3.165) 3.165 7.667 ( 0.000 -0.000 -3.165) 3.165 8.148 ( 0.000 -0.000 11.081) 11.081 8.148 ( -0.000 -0.000 11.081) 11.081 8.425 ( 0.000 -0.000 -16.265) 16.265 8.425 ( 0.000 -0.000 -16.265) 16.265 8.665 ( -0.000 -0.000 18.625) 18.625 9.019 ( 0.000 0.000 -17.050) 17.050 9.035 ( 0.000 0.000 10.205) 10.205 9.238 ( -0.000 0.000 -10.119) 10.119 9.698 ( 0.000 0.000 20.063) 20.063 9.698 ( 0.000 0.000 20.063) 20.063 10.102 ( 0.000 0.000 -20.102) 20.102 10.102 ( -0.000 -0.000 -20.102) 20.102 10.413 ( -0.000 0.000 15.431) 15.431 10.704 ( -0.000 0.000 -13.834) 13.834 10.948 ( 0.000 0.000 9.869) 9.869 10.948 ( 0.000 -0.000 9.869) 9.869 11.160 ( 0.000 -0.000 -11.601) 11.601 11.160 ( -0.000 0.000 -11.601) 11.601 11.424 ( 0.000 0.000 13.808) 13.808 11.424 ( 0.000 -0.000 13.808) 13.808 11.701 ( 0.000 0.000 -14.298) 14.298 11.701 ( 0.000 -0.000 -14.298) 14.298 12.086 ( 0.000 0.000 2.363) 2.363 12.160 ( -0.000 -0.000 -5.172) 5.172 12.278 ( -0.000 0.000 6.171) 6.171 12.390 ( 0.000 0.000 -4.790) 4.790 12.932 ( 0.000 0.000 6.503) 6.503 12.932 ( -0.000 -0.000 6.503) 6.503 13.030 ( 0.000 -0.000 -2.438) 2.438 13.030 ( -0.000 -0.000 -2.438) 2.438 13.413 ( 0.000 -0.000 12.679) 12.679 13.413 ( 0.000 -0.000 12.679) 12.679 13.500 ( 0.000 0.000 4.495) 4.495 13.578 ( -0.000 -0.000 -3.372) 3.372 13.656 ( 0.000 0.000 -11.274) 11.274 13.656 ( -0.000 -0.000 -11.274) 11.274 14.002 ( 0.000 0.000 4.768) 4.768 14.002 ( 0.000 0.000 4.768) 4.768 14.110 ( 0.000 0.000 -5.756) 5.756 14.110 ( -0.000 -0.000 -5.756) 5.756 14.300 ( 0.000 0.000 4.510) 4.510 14.300 ( -0.000 -0.000 4.510) 4.510 14.382 ( 0.000 0.000 -3.452) 3.452 14.382 ( -0.000 -0.000 -3.452) 3.452 14.605 ( 0.000 0.000 2.542) 2.542 14.646 ( -0.000 -0.000 -1.588) 1.588 14.977 ( -0.000 -0.000 9.348) 9.348 15.175 ( 0.000 0.000 -10.405) 10.405 15.764 ( 0.000 0.000 4.948) 4.948 15.764 ( -0.000 -0.000 4.948) 4.948 15.861 ( 0.000 -0.000 -4.720) 4.720 15.861 ( 0.000 -0.000 -4.720) 4.720 15.937 ( -0.000 -0.000 2.228) 2.228 15.972 ( 0.000 0.000 -1.398) 1.398 16.729 ( -0.000 0.000 0.342) 0.342 16.735 ( 0.000 0.000 -0.270) 0.270 17.660 ( -0.000 -0.000 2.241) 2.241 17.706 ( 0.000 0.000 -2.344) 2.344 18.154 ( 0.000 0.000 3.336) 3.336 18.154 ( 0.000 -0.000 3.336) 3.336 18.221 ( 0.000 0.000 -3.384) 3.384 18.221 ( 0.000 -0.000 -3.384) 3.384 19.883 ( -0.000 0.000 2.110) 2.110 19.924 ( 0.000 0.000 -2.006) 2.006 ======================= Grid point 219 (38/58) ======================= q-point: ( 0.10 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.531 ( 8.828 6.681 31.890) 33.757 1.701 ( 15.206 1.534 31.995) 35.458 2.141 ( 5.298 2.131 -29.399) 29.948 2.282 ( 7.186 7.055 -26.725) 28.559 2.729 ( 21.146 14.902 46.771) 53.448 3.574 ( 8.906 4.867 -38.016) 39.347 4.364 ( -1.810 -1.033 1.400) 2.510 4.399 ( -1.997 -1.290 -2.340) 3.336 5.284 ( -5.847 -2.068 2.760) 6.788 5.304 ( -3.763 -1.366 2.199) 4.567 5.333 ( -1.808 -3.464 -0.557) 3.947 5.360 ( -1.657 -0.852 -1.632) 2.476 5.947 ( 1.178 6.349 11.506) 13.194 6.089 ( 15.258 2.916 11.315) 19.218 6.188 ( 5.328 -3.050 -11.657) 13.175 6.346 ( 9.334 11.918 -13.921) 20.566 7.557 ( -1.626 -0.571 4.805) 5.105 7.629 ( 2.854 0.514 5.177) 5.934 7.648 ( -0.526 -2.093 -3.812) 4.380 7.714 ( 1.549 3.627 -2.895) 4.892 8.146 ( -0.983 -1.174 9.471) 9.594 8.200 ( 6.490 -0.828 10.726) 12.564 8.373 ( -6.460 1.824 -8.061) 10.490 8.450 ( 1.636 4.238 -12.381) 13.188 8.714 ( 6.593 -2.809 5.694) 9.153 8.870 ( -11.083 -6.044 11.925) 17.366 8.931 ( -7.242 -1.951 -12.615) 14.676 9.100 ( -9.213 -6.042 -10.313) 15.091 9.718 ( 0.208 3.125 19.180) 19.434 9.843 ( 11.003 2.484 17.926) 21.180 10.103 ( -0.653 -0.073 -18.124) 18.136 10.184 ( -2.493 2.944 -5.326) 6.576 10.234 ( -5.897 -4.029 0.817) 7.188 10.477 ( -13.643 -9.910 -12.697) 21.108 10.885 ( -2.333 -3.436 6.206) 7.468 10.980 ( -1.067 -1.298 9.596) 9.742 11.073 ( -3.188 -0.905 -9.511) 10.072 11.217 ( 0.670 0.486 -10.993) 11.024 11.380 ( -1.903 -3.709 11.583) 12.310 11.478 ( 1.765 3.863 12.727) 13.417 11.567 ( -8.401 0.106 -6.650) 10.715 11.722 ( 2.580 -3.350 -11.592) 12.339 12.166 ( 5.459 1.815 3.917) 6.959 12.234 ( -5.778 -1.561 -0.946) 6.060 12.256 ( -1.812 0.005 1.704) 2.488 12.375 ( 7.185 2.492 -12.037) 14.238 12.893 ( -4.383 -2.482 5.375) 7.366 12.941 ( -6.720 1.033 2.962) 7.416 12.991 ( 2.139 1.744 4.285) 5.097 13.060 ( 1.795 -6.038 1.140) 6.402 13.176 ( -6.597 -9.952 6.371) 13.534 13.340 ( -13.602 0.603 -5.182) 14.568 13.392 ( -2.531 2.084 5.090) 6.054 13.484 ( -5.676 -4.313 -4.094) 8.221 13.680 ( -3.398 7.390 0.851) 8.179 13.750 ( 8.414 -7.119 -4.957) 12.085 13.995 ( -0.394 0.596 3.727) 3.795 14.015 ( 0.202 -1.016 3.569) 3.716 14.108 ( 1.121 -1.811 -3.770) 4.330 14.121 ( 2.544 -0.669 -2.128) 3.383 14.227 ( -5.104 -0.626 2.131) 5.566 14.289 ( -1.463 -0.380 -2.918) 3.286 14.414 ( 4.941 8.501 4.546) 10.833 14.474 ( 7.893 2.335 -1.617) 8.388 14.687 ( 4.055 -3.083 1.685) 5.365 14.736 ( 1.059 5.586 -3.757) 6.815 14.949 ( -0.771 -0.999 9.246) 9.332 15.147 ( -1.941 -0.305 -10.619) 10.799 15.657 ( -5.530 -1.548 1.657) 5.977 15.672 ( -1.144 -0.502 -0.246) 1.273 15.787 ( -5.945 6.468 2.653) 9.177 15.836 ( 4.435 -10.839 -1.910) 11.866 16.183 ( 16.883 0.227 4.797) 17.553 16.270 ( 10.081 13.229 -3.424) 16.981 16.706 ( -1.777 -1.519 0.269) 2.353 16.709 ( -2.548 -0.947 -0.029) 2.719 17.695 ( -1.494 -1.020 3.574) 4.006 17.761 ( -0.259 -0.198 -3.257) 3.273 18.062 ( -3.342 2.088 5.115) 6.457 18.165 ( 1.839 -2.827 -3.748) 5.041 18.193 ( 4.861 -0.473 1.637) 5.151 18.261 ( 0.006 5.634 -3.426) 6.594 19.891 ( 0.915 -0.044 0.777) 1.201 19.906 ( -1.199 0.282 -0.666) 1.401 ======================= Grid point 220 (39/58) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.920 ( 22.337 11.379 19.671) 31.865 2.043 ( 19.673 3.358 24.544) 31.635 2.364 ( 13.380 7.880 -24.000) 28.585 2.511 ( 8.496 9.611 -22.324) 25.747 3.326 ( 24.324 16.866 28.702) 41.230 3.813 ( 9.878 5.804 -19.382) 22.515 4.305 ( -3.087 -1.701 1.065) 3.682 4.335 ( -2.885 -2.194 -2.079) 4.179 5.106 ( -10.335 -3.903 4.628) 11.978 5.178 ( -7.028 -3.992 -1.428) 8.208 5.244 ( -3.352 -4.767 1.496) 6.016 5.299 ( -3.508 -1.916 -2.852) 4.910 6.075 ( 4.347 8.646 9.000) 13.216 6.258 ( 6.727 -1.408 -9.010) 11.332 6.492 ( 21.396 4.724 6.236) 22.782 6.665 ( 9.975 13.644 -10.555) 19.926 7.509 ( -1.421 -2.492 3.074) 4.204 7.586 ( -3.091 -1.505 -4.721) 5.840 7.663 ( 0.443 -2.878 5.823) 6.510 7.756 ( -1.593 2.052 -3.414) 4.290 8.046 ( -7.717 -2.344 6.306) 10.238 8.170 ( -6.380 -5.192 -3.725) 9.030 8.425 ( 9.188 0.785 8.247) 12.371 8.546 ( -1.417 7.787 -3.491) 8.650 8.631 ( -7.468 -3.406 9.069) 12.232 8.742 ( -1.809 -6.877 -3.798) 8.062 8.869 ( 2.481 4.177 -5.790) 7.558 8.924 ( 0.517 -2.774 -8.779) 9.221 9.731 ( -5.832 4.794 15.866) 17.571 9.865 ( -6.513 -7.656 8.987) 13.483 10.047 ( -12.042 -8.821 -7.860) 16.870 10.093 ( 5.401 1.593 -1.801) 5.912 10.148 ( 4.884 1.104 -0.005) 5.008 10.418 ( 3.819 5.604 -13.657) 15.248 10.772 ( -3.404 -8.620 4.227) 10.187 10.883 ( -7.012 -0.259 -1.820) 7.249 11.021 ( -2.132 -1.621 2.808) 3.881 11.187 ( -2.805 -1.838 -8.489) 9.128 11.315 ( -2.440 -0.508 10.211) 10.511 11.489 ( -0.723 -0.090 -5.228) 5.278 11.556 ( 1.655 5.033 6.675) 8.522 11.715 ( 0.485 -3.520 -8.260) 8.992 12.025 ( -8.368 -5.146 4.649) 10.868 12.102 ( -6.184 -4.961 -2.651) 8.360 12.377 ( 4.785 7.118 4.539) 9.704 12.529 ( 4.303 -4.245 -9.994) 11.679 12.653 ( -11.924 -5.580 1.771) 13.284 12.695 ( -16.582 -8.462 -2.282) 18.755 12.957 ( -0.706 1.082 9.139) 9.230 13.075 ( 0.226 2.807 0.373) 2.840 13.132 ( 2.319 -2.433 -0.242) 3.370 13.213 ( -0.447 1.642 -6.547) 6.765 13.408 ( 1.247 1.797 0.979) 2.396 13.438 ( 2.436 1.682 -1.785) 3.456 13.611 ( -9.583 5.787 7.533) 13.493 13.761 ( 2.086 -9.467 -7.236) 12.097 13.936 ( -4.191 -4.609 7.803) 9.985 14.029 ( 1.354 0.847 -0.334) 1.632 14.097 ( 2.735 -2.470 -0.937) 3.803 14.124 ( -4.200 1.791 -4.168) 6.182 14.264 ( 12.133 -4.748 5.823) 14.271 14.367 ( 2.746 7.409 -3.394) 8.600 14.575 ( 1.867 8.401 2.581) 8.984 14.625 ( 3.230 2.751 -1.480) 4.494 14.710 ( 1.255 -0.563 1.929) 2.369 14.745 ( 1.086 1.708 -1.361) 2.439 14.957 ( 2.421 -2.025 5.378) 6.235 15.095 ( -4.465 -0.135 -8.919) 9.975 15.538 ( -3.176 -8.703 9.976) 13.614 15.680 ( -1.418 1.538 -4.659) 5.107 15.790 ( 1.891 2.680 1.506) 3.609 15.830 ( 1.985 0.822 -2.815) 3.541 16.404 ( 6.798 -3.510 4.328) 8.790 16.483 ( -0.777 3.130 -3.487) 4.749 16.662 ( 2.129 -3.695 1.258) 4.446 16.681 ( 1.413 7.623 -0.429) 7.765 17.504 ( -12.822 -5.325 2.991) 14.202 17.536 ( -13.369 -7.487 -0.457) 15.329 18.186 ( 6.699 -2.624 4.721) 8.605 18.254 ( 6.853 7.181 -0.240) 9.929 18.356 ( 7.626 5.735 -0.249) 9.545 18.423 ( 11.351 9.337 -5.584) 15.723 19.894 ( -0.322 1.108 0.946) 1.492 19.924 ( 1.896 0.155 -1.985) 2.749 ======================= Grid point 221 (40/58) ======================= q-point: ( 0.30 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.430 ( 18.391 5.803 16.062) 25.097 2.489 ( 26.051 11.514 9.709) 30.091 2.743 ( 16.473 11.221 -15.020) 24.958 2.760 ( 8.795 9.054 -16.938) 21.124 3.847 ( 16.525 9.708 10.986) 22.091 3.985 ( 2.927 2.957 -3.034) 5.150 4.227 ( -3.290 -1.434 1.648) 3.949 4.269 ( -1.498 -1.869 -1.916) 3.068 4.859 ( -11.847 -3.920 7.740) 14.685 4.994 ( -7.492 -5.462 -5.086) 10.574 5.119 ( -4.646 -5.272 3.842) 8.009 5.203 ( -4.305 -2.537 -4.035) 6.423 6.267 ( 6.781 8.475 5.023) 11.959 6.376 ( 6.374 0.685 -5.851) 8.679 6.828 ( 9.954 0.176 2.519) 10.269 6.918 ( 4.025 7.740 -6.084) 10.636 7.460 ( -2.940 -4.366 4.682) 7.044 7.544 ( -1.684 1.017 -3.557) 4.065 7.627 ( 5.522 -6.963 1.972) 9.103 7.676 ( -6.463 4.665 -2.760) 8.434 7.899 ( -6.303 -0.604 4.411) 7.717 7.990 ( -7.123 -5.173 -4.293) 9.794 8.468 ( -4.454 3.292 4.858) 7.367 8.511 ( -2.067 -2.806 2.297) 4.174 8.590 ( 0.117 3.415 4.820) 5.908 8.714 ( 5.224 -7.221 -6.862) 11.248 8.960 ( 6.237 7.564 4.473) 10.776 9.107 ( 9.421 4.892 -8.773) 13.771 9.607 ( -9.445 5.133 4.627) 11.703 9.691 ( -3.212 -12.450 -1.347) 12.928 9.920 ( 3.525 -2.679 7.017) 8.298 10.129 ( -1.620 4.573 -11.797) 12.755 10.323 ( 9.351 0.620 11.841) 15.101 10.481 ( -1.897 1.404 -1.346) 2.717 10.634 ( -1.212 -7.633 0.612) 7.753 10.746 ( -9.427 2.514 -8.063) 12.657 10.994 ( 1.580 -2.544 3.447) 4.566 11.111 ( -3.359 -0.850 -5.593) 6.579 11.252 ( -4.181 -0.800 7.211) 8.374 11.429 ( -5.494 -4.700 -7.728) 10.583 11.654 ( 1.415 8.509 1.988) 8.852 11.715 ( 4.677 -1.734 -3.819) 6.282 11.906 ( -3.336 -1.646 2.172) 4.308 11.939 ( -5.097 -4.021 -1.140) 6.592 12.182 ( -14.519 -11.883 1.636) 18.833 12.235 ( -18.810 -7.086 -3.122) 20.342 12.599 ( 4.984 5.777 2.213) 7.945 12.690 ( 7.088 -2.640 -5.338) 9.258 12.972 ( -0.514 1.538 4.633) 4.908 13.075 ( -2.653 1.810 -4.111) 5.216 13.157 ( 1.581 0.423 4.805) 5.076 13.270 ( 3.385 1.349 -5.642) 6.717 13.483 ( 0.189 3.665 1.263) 3.881 13.506 ( -3.166 2.796 1.148) 4.378 13.539 ( 2.969 3.715 4.533) 6.570 13.692 ( 2.385 -7.774 -8.059) 11.449 13.819 ( -2.797 -3.886 8.614) 9.855 13.951 ( -4.553 -5.083 -4.433) 8.137 14.132 ( 1.226 1.500 1.916) 2.724 14.164 ( 0.531 3.219 -1.455) 3.572 14.388 ( 1.536 2.518 7.972) 8.500 14.490 ( 8.371 -0.920 -1.922) 8.638 14.615 ( 0.685 -3.306 2.248) 4.057 14.642 ( -3.105 -4.087 3.937) 6.469 14.759 ( -0.733 15.009 -4.806) 15.777 14.796 ( 3.430 -4.136 -5.396) 7.615 15.002 ( -1.832 1.177 -1.100) 2.439 15.026 ( 4.490 0.051 -0.834) 4.567 15.408 ( -0.250 -9.663 13.232) 16.386 15.634 ( -6.045 3.540 -9.167) 11.537 15.856 ( 6.032 -3.585 4.096) 8.124 15.930 ( 0.986 9.752 -4.081) 10.617 16.308 ( -7.901 -6.881 2.198) 10.705 16.361 ( -7.850 -4.734 -3.017) 9.651 16.755 ( 9.662 -4.252 5.853) 12.070 16.853 ( 2.016 11.115 -3.295) 11.768 17.239 ( -7.986 -5.369 2.336) 9.903 17.278 ( -9.630 -1.570 -1.173) 9.827 18.261 ( 5.891 -2.895 7.431) 9.915 18.400 ( 2.771 6.513 -6.344) 9.505 18.621 ( 12.007 5.342 4.109) 13.769 18.705 ( 9.206 7.548 -4.200) 12.624 19.909 ( 0.461 1.374 1.224) 1.897 19.957 ( 1.597 -0.195 -3.382) 3.745 ======================= Grid point 222 (41/58) ======================= q-point: ( 0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 252 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 12.400 4.019 9.039) 15.862 2.943 ( 4.304 5.738 -8.694) 11.271 3.052 ( 22.136 10.572 2.812) 24.692 3.170 ( 16.652 10.679 -9.099) 21.774 3.954 ( -5.846 -2.871 1.149) 6.614 3.978 ( -5.101 -3.603 -1.514) 6.426 4.228 ( 0.701 1.430 2.755) 3.182 4.248 ( 1.144 -0.585 0.952) 1.599 4.679 ( -4.048 0.600 9.895) 10.708 4.829 ( -4.720 -4.506 -5.432) 8.491 4.990 ( -4.085 -3.557 6.240) 8.263 5.109 ( -2.806 -2.680 -5.513) 6.742 6.450 ( 3.730 3.930 -0.217) 5.423 6.468 ( 3.277 1.835 -1.669) 4.110 6.891 ( 2.957 -2.565 2.081) 4.433 6.957 ( -2.077 1.606 -4.601) 5.297 7.324 ( -3.195 -7.056 6.130) 9.878 7.440 ( -7.762 1.075 -5.437) 9.537 7.630 ( -1.381 -8.057 2.463) 8.538 7.659 ( -7.578 2.633 -0.667) 8.050 7.939 ( 7.848 7.273 -0.057) 10.700 7.953 ( 7.162 3.462 -1.464) 8.089 8.431 ( -4.523 2.226 2.510) 5.631 8.443 ( -0.527 -3.640 1.580) 4.003 8.642 ( -2.118 10.768 5.305) 12.190 8.768 ( 8.625 -8.539 -6.267) 13.659 9.147 ( 4.081 6.627 6.732) 10.291 9.260 ( 4.035 0.697 -2.585) 4.842 9.520 ( -6.905 4.910 -0.543) 8.490 9.567 ( 4.025 -12.229 -4.947) 13.792 9.996 ( 5.298 -0.118 8.227) 9.786 10.152 ( -1.320 4.608 -6.119) 7.773 10.429 ( 1.231 -3.349 7.398) 8.214 10.446 ( 0.756 0.994 7.218) 7.326 10.581 ( 2.374 -4.524 -5.513) 7.516 10.607 ( -8.684 1.969 -4.229) 9.858 10.973 ( -1.487 -0.766 1.819) 2.471 11.078 ( -1.799 -0.204 -8.168) 8.367 11.181 ( -2.141 0.496 1.329) 2.568 11.267 ( -4.924 -4.735 -6.549) 9.463 11.713 ( -3.143 -4.066 2.305) 5.633 11.748 ( -7.607 3.086 -1.560) 8.356 11.788 ( -0.941 -3.377 2.879) 4.536 11.870 ( 2.402 2.275 -4.625) 5.687 11.916 ( -8.693 0.048 2.766) 9.122 12.002 ( 0.150 -3.530 -5.077) 6.186 12.717 ( 1.527 4.924 3.167) 6.050 12.774 ( 5.579 -3.903 -2.081) 7.120 12.975 ( 2.752 -3.117 2.355) 4.779 13.031 ( -3.494 1.831 -2.685) 4.772 13.183 ( -1.586 3.548 6.260) 7.369 13.333 ( 2.948 -1.233 -6.982) 7.679 13.434 ( -4.188 3.041 2.266) 5.650 13.477 ( -1.301 -4.741 -2.525) 5.527 13.628 ( 1.652 0.961 3.820) 4.272 13.683 ( -0.333 -2.138 -0.436) 2.207 13.821 ( 4.324 1.192 3.035) 5.415 13.878 ( 1.835 -1.490 -2.031) 3.116 14.120 ( -3.273 0.603 1.423) 3.619 14.143 ( -4.339 1.706 -1.272) 4.833 14.423 ( -1.219 1.993 5.355) 5.842 14.496 ( -3.758 -3.259 3.874) 6.304 14.568 ( 2.653 -0.813 -4.065) 4.922 14.627 ( -1.603 -3.211 -4.318) 5.615 14.787 ( 6.468 -0.524 4.833) 8.092 14.961 ( 6.073 5.101 -10.730) 13.343 15.032 ( 1.014 5.484 6.727) 8.738 15.130 ( 5.817 -0.826 -2.504) 6.387 15.314 ( -0.057 -8.508 12.174) 14.852 15.558 ( -6.714 4.814 -10.906) 13.682 15.925 ( 4.813 -2.519 5.505) 7.734 16.017 ( -1.868 7.399 -4.048) 8.638 16.074 ( -7.169 -8.365 3.314) 11.505 16.163 ( -8.529 -3.945 -5.194) 10.737 16.833 ( 1.098 -0.134 8.216) 8.290 16.944 ( 4.169 -0.827 -0.256) 4.258 17.101 ( -2.611 -4.669 2.541) 5.922 17.214 ( -3.343 8.660 -6.786) 11.499 18.330 ( 4.541 -2.431 9.392) 10.712 18.497 ( 1.634 4.160 -7.232) 8.501 18.835 ( 6.836 3.044 2.858) 8.010 18.885 ( 4.432 3.695 -2.102) 6.141 19.934 ( 0.694 1.278 0.379) 1.503 19.972 ( 0.597 -0.762 -3.278) 3.418 ======================= Grid point 223 (42/58) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.908 ( 1.018 -1.764 4.638) 5.066 3.002 ( -1.293 2.240 -4.678) 5.345 3.382 ( 0.768 -1.329 0.341) 1.572 3.441 ( -0.205 0.356 -5.751) 5.766 3.812 ( 0.297 -0.514 0.567) 0.821 3.838 ( -0.224 0.387 -1.931) 1.982 4.211 ( -1.396 2.418 4.892) 5.633 4.267 ( 1.101 -1.907 -0.522) 2.264 4.695 ( 1.251 -2.167 4.243) 4.926 4.744 ( -1.003 1.737 -0.463) 2.058 4.930 ( -0.159 0.276 7.246) 7.253 5.067 ( 0.936 -1.621 -6.388) 6.656 6.467 ( -1.154 1.999 1.656) 2.841 6.530 ( 0.952 -1.649 -4.896) 5.253 6.919 ( -0.649 1.124 1.183) 1.756 6.954 ( 1.455 -2.520 -2.046) 3.557 7.244 ( 1.813 -3.139 6.222) 7.201 7.367 ( -3.144 5.445 -5.970) 8.670 7.548 ( 1.907 -3.303 2.800) 4.731 7.587 ( -1.551 2.687 -1.218) 3.333 8.075 ( 2.935 -5.084 -0.239) 5.875 8.087 ( -4.398 7.618 -1.458) 8.917 8.400 ( -0.062 0.107 1.876) 1.880 8.405 ( 0.355 -0.615 1.269) 1.454 8.700 ( -5.866 10.160 5.588) 12.995 8.796 ( 4.968 -8.605 -2.912) 10.354 9.210 ( -3.040 5.266 6.097) 8.611 9.295 ( 4.029 -6.978 0.724) 8.090 9.478 ( -4.196 7.267 -2.266) 8.692 9.550 ( 6.237 -10.802 -7.458) 14.532 10.057 ( 1.102 -1.909 7.485) 7.802 10.163 ( -2.126 3.682 -1.663) 4.565 10.440 ( 2.503 -4.335 6.307) 8.052 10.441 ( -0.159 0.276 5.756) 5.765 10.514 ( -2.988 5.176 -0.815) 6.032 10.590 ( 1.909 -3.307 -9.139) 9.905 10.985 ( -1.178 2.040 -0.585) 2.427 11.011 ( 0.499 -0.865 -3.176) 3.329 11.176 ( -1.820 3.153 -3.289) 4.906 11.197 ( 1.128 -1.953 -7.527) 7.857 11.619 ( 0.650 -1.126 1.944) 2.339 11.677 ( -1.486 2.573 -3.999) 4.982 11.773 ( 2.135 -3.698 7.375) 8.522 11.864 ( -1.454 2.518 4.495) 5.353 11.962 ( 2.329 -4.033 -3.159) 5.627 11.966 ( -4.516 7.822 -9.358) 13.006 12.755 ( -2.403 4.163 2.742) 5.534 12.798 ( 3.035 -5.257 -0.886) 6.134 13.001 ( 5.289 -9.161 2.593) 10.892 13.010 ( -2.171 3.760 -0.038) 4.342 13.180 ( -3.160 5.473 5.144) 8.148 13.331 ( 2.600 -4.503 -7.980) 9.524 13.424 ( 1.302 -2.255 0.783) 2.719 13.433 ( -1.701 2.947 0.146) 3.406 13.649 ( 1.648 -2.854 0.905) 3.418 13.654 ( -2.803 4.855 0.813) 5.665 13.870 ( -0.054 0.094 3.760) 3.762 13.916 ( 3.126 -5.414 -0.477) 6.270 14.081 ( -3.477 6.023 0.272) 6.960 14.114 ( -0.388 0.672 -2.808) 2.913 14.413 ( -0.888 1.538 2.243) 2.861 14.431 ( 0.464 -0.804 3.062) 3.199 14.595 ( 0.277 -0.480 -1.521) 1.619 14.597 ( 1.044 -1.809 -4.827) 5.260 14.861 ( -1.724 2.985 6.513) 7.369 15.042 ( 2.877 -4.983 -10.635) 12.092 15.094 ( 1.306 -2.262 7.869) 8.291 15.184 ( -0.111 0.193 -2.222) 2.233 15.259 ( 2.832 -4.904 12.643) 13.853 15.520 ( -3.989 6.909 -12.299) 14.660 15.937 ( 3.065 -5.309 3.813) 7.219 15.971 ( 0.291 -0.504 0.653) 0.875 16.030 ( -1.142 1.979 -1.190) 2.576 16.050 ( -2.608 4.517 -4.113) 6.642 16.834 ( 0.099 -0.171 9.297) 9.299 16.993 ( -0.251 0.436 -6.654) 6.673 17.045 ( 4.449 -7.706 10.285) 13.600 17.239 ( -5.607 9.711 -9.432) 14.653 18.360 ( 1.927 -3.337 10.053) 10.766 18.534 ( -1.074 1.860 -7.334) 7.642 18.915 ( 0.036 -0.062 1.774) 1.775 18.941 ( -0.085 0.148 -0.842) 0.859 19.952 ( -0.694 1.202 -0.780) 1.592 19.968 ( 0.814 -1.409 -2.423) 2.919 ======================= Grid point 230 (43/58) ======================= q-point: ( 0.10 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.779 ( 9.838 17.040 25.563) 32.259 1.861 ( 8.504 14.729 27.008) 31.917 2.283 ( 6.886 11.927 -26.173) 29.575 2.491 ( 7.006 12.134 -21.281) 25.479 3.191 ( 15.179 26.292 31.918) 44.050 3.745 ( 6.069 10.513 -25.929) 28.630 4.324 ( -1.561 -2.704 1.309) 3.385 4.350 ( -1.866 -3.233 -1.963) 4.217 5.208 ( -3.858 -6.682 3.372) 8.420 5.210 ( -4.342 -7.520 -1.588) 8.828 5.234 ( -2.853 -4.941 2.747) 6.332 5.319 ( -1.679 -2.908 -2.078) 3.948 6.114 ( 4.105 7.110 10.489) 13.320 6.178 ( 1.608 2.785 -9.856) 10.368 6.285 ( 9.275 16.064 6.427) 19.631 6.655 ( 9.823 17.014 -12.188) 23.119 7.500 ( -2.868 -4.967 4.062) 7.028 7.613 ( -1.051 -1.820 -3.590) 4.160 7.628 ( -0.732 -1.268 3.896) 4.162 7.787 ( 0.962 1.666 -2.515) 3.167 8.137 ( -1.156 -2.003 3.067) 3.842 8.155 ( -0.918 -1.590 10.489) 10.649 8.393 ( -0.741 -1.283 -11.476) 11.571 8.547 ( 0.918 1.589 8.033) 8.240 8.617 ( -3.474 -6.017 1.909) 7.206 8.799 ( 3.475 6.019 -0.313) 6.957 8.841 ( -4.694 -8.130 -5.307) 10.784 8.953 ( -2.160 -3.742 -7.745) 8.868 9.764 ( 0.218 0.378 16.668) 16.673 9.960 ( 3.362 5.823 12.597) 14.279 10.018 ( -5.372 -9.304 11.530) 15.759 10.033 ( -5.717 -9.901 -15.710) 19.430 10.233 ( -3.001 -5.199 -12.044) 13.457 10.389 ( 5.851 10.134 -14.069) 18.300 10.751 ( -5.040 -8.729 3.738) 10.750 10.938 ( -2.212 -3.831 12.845) 13.585 11.070 ( 0.597 1.035 -9.470) 9.545 11.187 ( -2.381 -4.125 -8.680) 9.901 11.300 ( -1.749 -3.030 7.514) 8.289 11.472 ( -1.534 -2.658 2.688) 4.080 11.607 ( 2.011 3.482 2.782) 4.890 11.702 ( 0.159 0.276 -7.282) 7.288 12.076 ( -6.511 -11.277 4.370) 13.735 12.120 ( -3.092 -5.356 -1.732) 6.422 12.368 ( 5.469 9.473 4.219) 11.724 12.456 ( 0.962 1.667 -12.040) 12.193 12.689 ( -8.732 -15.124 6.168) 18.520 12.829 ( -7.569 -13.111 -2.838) 15.402 13.021 ( 2.395 4.147 3.784) 6.104 13.058 ( 1.827 3.164 7.047) 7.938 13.099 ( 0.871 1.509 -1.370) 2.216 13.285 ( -2.597 -4.498 -8.505) 9.966 13.394 ( -1.709 -2.961 -2.546) 4.262 13.423 ( 1.615 2.798 -0.012) 3.231 13.658 ( -1.053 -1.824 -6.432) 6.768 13.822 ( 2.443 4.232 9.963) 11.097 13.955 ( -2.775 -4.806 8.066) 9.791 14.002 ( -3.202 -5.547 -1.771) 6.645 14.039 ( 0.857 1.484 1.995) 2.630 14.051 ( -1.199 -2.077 1.122) 2.648 14.217 ( -1.114 -1.930 -2.421) 3.290 14.355 ( 3.827 6.628 -2.440) 8.033 14.503 ( 0.142 0.246 -3.218) 3.231 14.605 ( 3.877 6.715 2.342) 8.100 14.715 ( 3.430 5.941 -0.775) 6.904 14.848 ( 2.482 4.299 -1.204) 5.108 14.927 ( -0.258 -0.446 5.918) 5.940 15.128 ( -0.940 -1.627 -8.826) 9.024 15.522 ( -5.842 -10.119 10.959) 16.019 15.675 ( 0.106 0.183 -1.822) 1.835 15.716 ( 0.672 1.165 -3.863) 4.090 15.926 ( 2.509 4.347 2.531) 5.621 16.248 ( 3.449 5.973 5.299) 8.698 16.513 ( 2.519 4.363 -2.386) 5.574 16.642 ( -2.669 -4.623 -0.252) 5.344 16.709 ( 3.343 5.791 0.803) 6.735 17.590 ( -5.060 -8.765 2.398) 10.401 17.628 ( -8.026 -13.901 -2.047) 16.181 18.102 ( -0.006 -0.011 3.184) 3.184 18.200 ( 6.393 11.074 4.615) 13.594 18.356 ( 7.746 13.416 -6.701) 16.879 18.364 ( 2.687 4.654 -4.058) 6.734 19.900 ( 0.585 1.013 -1.240) 1.705 19.915 ( 0.363 0.630 0.122) 0.737 ======================= Grid point 231 (44/58) ======================= q-point: ( 0.20 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.216 ( 17.622 16.180 17.783) 29.809 2.247 ( 16.102 17.255 15.720) 28.357 2.608 ( 12.918 15.444 -18.506) 27.347 2.750 ( 6.989 12.916 -16.132) 21.815 3.694 ( 14.452 16.565 15.735) 27.034 3.947 ( 5.421 6.054 -9.239) 12.304 4.261 ( -2.379 -2.349 1.633) 3.720 4.278 ( -2.166 -2.990 -1.868) 4.138 4.996 ( -9.554 -7.421 3.042) 12.474 5.040 ( -6.255 -9.242 -2.419) 11.418 5.131 ( -2.753 -5.494 4.958) 7.896 5.246 ( -3.069 -2.906 -2.609) 4.967 6.257 ( 3.935 7.103 5.298) 9.696 6.267 ( 5.429 2.530 -6.907) 9.142 6.649 ( 12.487 9.526 2.179) 15.856 6.982 ( 4.952 15.861 -6.857) 17.975 7.408 ( 2.068 -7.021 2.143) 7.627 7.524 ( -5.076 -8.810 3.544) 10.767 7.580 ( -0.947 0.477 -1.906) 2.181 7.773 ( -1.862 -0.865 -0.405) 2.093 8.010 ( -8.134 -4.358 5.705) 10.849 8.067 ( -6.073 -4.602 -5.732) 9.535 8.391 ( 3.853 -3.455 -4.195) 6.662 8.520 ( -1.494 -3.660 6.847) 7.906 8.593 ( 4.284 -1.594 4.380) 6.331 8.663 ( -3.923 -2.432 0.167) 4.618 8.962 ( 0.537 7.418 -1.158) 7.527 9.066 ( 9.178 13.461 -8.224) 18.250 9.684 ( -8.236 -9.209 -1.905) 12.500 9.777 ( 0.333 -7.235 2.834) 7.777 9.874 ( -6.676 5.128 9.980) 13.056 10.142 ( 6.715 -1.264 4.532) 8.199 10.243 ( 1.558 7.819 -6.512) 10.295 10.524 ( -2.773 -3.465 2.218) 4.962 10.615 ( -0.299 2.948 -7.320) 7.897 10.858 ( 0.245 -4.385 7.485) 8.679 11.013 ( -8.488 1.845 -3.875) 9.512 11.126 ( -0.375 -3.214 -6.918) 7.637 11.262 ( 0.901 -4.540 5.666) 7.316 11.431 ( -0.784 -3.552 -3.329) 4.931 11.662 ( -1.602 -0.338 -4.967) 5.230 11.696 ( 1.590 2.922 -0.103) 3.328 11.899 ( -1.178 -4.330 6.574) 7.960 11.978 ( -5.818 -7.605 -2.751) 9.962 12.264 ( -11.233 -15.874 -2.429) 19.597 12.440 ( -12.968 -12.491 -1.359) 18.057 12.543 ( 3.606 -0.837 1.753) 4.096 12.607 ( 3.307 5.446 -0.569) 6.397 13.042 ( -4.579 2.391 2.378) 5.687 13.129 ( 1.759 1.375 4.868) 5.356 13.169 ( 1.533 7.003 -6.544) 9.706 13.268 ( -0.267 4.369 -5.600) 7.108 13.394 ( 4.902 -2.193 -1.289) 5.522 13.503 ( 1.386 3.136 -2.013) 3.976 13.603 ( 0.636 -5.008 -5.960) 7.811 13.753 ( -11.857 5.744 6.623) 14.746 13.842 ( -3.057 -3.151 10.303) 11.199 13.961 ( -1.227 -4.562 1.179) 4.869 14.055 ( 5.813 -1.164 -0.246) 5.933 14.159 ( 12.075 -4.633 3.946) 13.522 14.199 ( 0.504 3.790 -0.005) 3.824 14.456 ( 0.525 2.500 1.748) 3.095 14.502 ( 3.143 -8.664 -4.638) 10.317 14.641 ( -2.259 0.127 -0.269) 2.279 14.808 ( -2.599 4.016 -3.631) 6.006 14.898 ( 3.457 -1.254 -0.134) 3.680 14.978 ( -0.873 11.013 1.081) 11.100 15.105 ( -1.367 2.593 -2.997) 4.192 15.332 ( -2.660 -9.187 15.112) 17.884 15.715 ( 2.514 1.428 -2.305) 3.697 15.747 ( 0.680 1.019 -2.462) 2.750 16.022 ( 1.129 9.179 -1.676) 9.398 16.317 ( -0.684 -5.143 3.387) 6.196 16.433 ( -6.218 -5.550 -1.339) 8.441 16.555 ( 3.244 -6.256 2.154) 7.369 16.935 ( 4.646 12.817 -2.338) 13.832 17.310 ( -9.373 -11.539 -0.600) 14.878 17.393 ( -6.857 -6.145 -0.956) 9.257 18.141 ( 4.177 -0.491 7.199) 8.337 18.438 ( 2.717 7.865 -4.074) 9.265 18.496 ( 9.083 8.775 2.226) 12.824 18.639 ( 8.502 10.785 -4.867) 14.570 19.926 ( 0.149 1.808 0.388) 1.855 19.935 ( 1.165 0.944 -2.293) 2.740 ======================= Grid point 232 (45/58) ======================= q-point: ( 0.30 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.632 ( 12.319 14.103 10.988) 21.711 2.785 ( 21.523 16.337 6.390) 27.767 2.982 ( 4.002 12.209 -10.705) 16.724 3.022 ( 14.783 15.463 -10.680) 23.910 3.970 ( 3.914 1.466 1.043) 4.308 4.010 ( -1.985 -0.765 1.048) 2.372 4.207 ( -0.934 -0.784 2.745) 3.004 4.243 ( 0.550 -0.657 0.320) 0.915 4.749 ( -7.882 -8.052 4.753) 12.229 4.825 ( -5.542 -10.420 -2.375) 12.039 5.037 ( -2.880 -1.842 5.580) 6.544 5.157 ( -4.021 -1.632 -3.030) 5.293 6.388 ( 5.482 1.618 -2.086) 6.085 6.400 ( 5.366 2.130 -1.274) 5.912 6.813 ( 2.387 -1.832 1.790) 3.501 7.046 ( -5.698 2.456 -3.754) 7.253 7.325 ( -4.842 -9.369 4.521) 11.474 7.477 ( 6.425 -4.622 2.346) 8.255 7.590 ( -3.644 3.873 -3.503) 6.368 7.770 ( -0.487 0.358 -0.438) 0.746 7.839 ( -0.967 -3.733 -0.214) 3.862 7.947 ( -0.250 1.683 -2.753) 3.236 8.419 ( 1.062 -2.493 -1.157) 2.946 8.492 ( 4.661 -4.937 -1.334) 6.920 8.550 ( -2.052 -0.473 -0.794) 2.251 8.752 ( 4.498 5.528 8.304) 10.942 9.081 ( 2.705 7.610 -0.096) 8.077 9.327 ( 5.099 10.750 -7.175) 13.894 9.478 ( -5.957 -4.263 0.995) 7.393 9.751 ( -7.008 9.034 4.455) 12.271 9.880 ( 5.278 -0.589 7.010) 8.795 10.185 ( 1.300 -0.767 -4.581) 4.823 10.373 ( 1.410 -0.284 6.755) 6.906 10.444 ( 3.298 1.569 -0.324) 3.667 10.588 ( -6.210 1.991 5.357) 8.440 10.832 ( -10.281 5.272 -8.234) 14.188 10.934 ( 3.286 -2.822 0.477) 4.357 11.079 ( -0.535 -2.570 -7.444) 7.893 11.212 ( -1.594 -2.129 3.820) 4.655 11.315 ( -5.871 -6.062 -4.491) 9.560 11.653 ( 2.973 -5.397 -2.422) 6.621 11.708 ( -2.291 -8.387 -3.822) 9.497 11.819 ( 2.115 -3.438 -0.465) 4.064 11.886 ( -7.612 -13.760 0.822) 15.746 11.980 ( 0.869 7.071 -4.166) 8.253 12.114 ( -12.217 -2.097 0.744) 12.417 12.604 ( 6.742 -5.217 1.447) 8.647 12.749 ( 2.786 6.670 2.773) 7.742 12.945 ( -4.769 -2.209 -0.349) 5.268 13.127 ( -3.030 0.662 3.856) 4.949 13.251 ( 0.272 3.700 -2.628) 4.546 13.292 ( -0.984 -0.337 -6.692) 6.772 13.456 ( 1.594 1.260 -0.193) 2.041 13.487 ( -2.093 -2.783 -2.319) 4.184 13.610 ( 0.634 1.434 2.223) 2.721 13.688 ( 3.257 -0.030 3.610) 4.862 13.810 ( -4.643 6.027 4.365) 8.771 13.898 ( -0.918 2.289 1.487) 2.880 14.137 ( 1.843 -0.096 0.422) 1.894 14.239 ( 2.329 1.929 -3.838) 4.886 14.381 ( 11.513 -5.686 0.636) 12.856 14.436 ( 4.011 -9.567 4.171) 11.181 14.442 ( -1.669 0.533 4.419) 4.754 14.558 ( -5.362 -3.076 -0.316) 6.190 14.722 ( -0.178 -4.985 -3.161) 5.906 14.987 ( -4.894 5.139 -2.493) 7.521 15.051 ( 7.961 3.501 -4.464) 9.775 15.153 ( -1.288 6.548 5.041) 8.363 15.247 ( -0.676 -2.520 10.655) 10.970 15.700 ( -5.081 1.786 -6.860) 8.721 15.831 ( 5.361 2.956 2.216) 6.511 16.108 ( -8.743 -12.572 2.140) 15.462 16.126 ( 0.110 5.867 -4.247) 7.244 16.248 ( -7.555 -2.863 -1.442) 8.207 16.653 ( 10.808 -4.612 5.327) 12.902 16.989 ( -5.413 -0.833 1.938) 5.810 17.110 ( -3.881 -6.140 -2.228) 7.597 17.326 ( -0.117 6.657 -6.934) 9.613 18.224 ( 4.982 -0.088 10.908) 11.992 18.530 ( 1.074 5.436 -7.016) 8.940 18.746 ( 8.135 6.617 2.873) 10.873 18.851 ( 5.123 6.354 -2.568) 8.557 19.942 ( -0.002 1.250 0.480) 1.339 19.966 ( 0.660 1.446 -2.758) 3.184 ======================= Grid point 233 (46/58) ======================= q-point: ( 0.40 0.10 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.910 ( 3.536 9.993 4.751) 11.617 3.099 ( -1.977 9.266 -5.161) 10.789 3.289 ( 14.255 11.693 1.722) 18.518 3.404 ( 10.002 11.574 -5.496) 16.254 3.871 ( -8.121 -4.274 0.416) 9.186 3.900 ( -6.808 -3.373 -1.274) 7.704 4.207 ( 2.097 -3.056 -1.151) 3.881 4.238 ( -0.474 -1.114 4.491) 4.651 4.602 ( 1.412 -8.732 2.084) 9.087 4.671 ( 0.685 -9.498 3.448) 10.128 5.008 ( -1.848 3.958 4.618) 6.357 5.080 ( -3.221 0.070 -2.986) 4.393 6.458 ( 3.065 -2.652 -3.040) 5.066 6.465 ( 1.830 -1.993 -0.414) 2.737 6.840 ( 5.536 -2.206 0.732) 6.004 6.952 ( -3.632 -3.565 0.022) 5.089 7.194 ( -0.501 -5.796 2.999) 6.545 7.475 ( 1.416 -3.545 2.676) 4.662 7.499 ( -5.859 1.029 -6.209) 8.599 7.658 ( -5.350 -0.146 -0.067) 5.352 7.930 ( 6.513 -2.747 -4.039) 8.141 8.109 ( 7.168 3.903 -0.130) 8.163 8.406 ( 0.191 0.495 0.308) 0.614 8.470 ( -4.885 1.885 3.546) 6.323 8.596 ( 8.188 -6.900 -6.811) 12.691 8.860 ( -0.430 6.799 8.522) 10.910 9.181 ( 2.639 2.487 -3.187) 4.828 9.362 ( -6.620 2.992 6.242) 9.578 9.461 ( 0.256 6.315 -4.801) 7.937 9.711 ( -8.504 11.655 3.593) 14.868 10.001 ( 5.011 1.491 5.803) 7.810 10.198 ( 0.647 -0.149 -2.620) 2.703 10.367 ( 1.724 -2.002 6.060) 6.611 10.505 ( -5.107 3.756 9.067) 11.064 10.542 ( 2.226 0.497 -5.320) 5.788 10.688 ( -9.395 5.252 -1.865) 10.923 10.952 ( 2.382 -0.619 -1.045) 2.674 11.034 ( -2.376 -3.316 -7.498) 8.536 11.168 ( -2.092 -5.108 -3.991) 6.811 11.215 ( 0.601 2.238 -7.014) 7.387 11.549 ( 0.824 -9.304 -0.816) 9.376 11.622 ( 0.546 -11.530 0.871) 11.576 11.701 ( 2.493 -6.279 -1.250) 6.871 11.901 ( 3.215 1.260 -3.582) 4.976 11.936 ( -5.825 2.348 2.393) 6.721 12.111 ( -0.922 8.499 -6.093) 10.498 12.658 ( 5.908 -6.961 -1.385) 9.235 12.816 ( -0.605 2.501 6.665) 7.144 12.884 ( -0.043 -0.833 -0.946) 1.262 13.064 ( -2.096 -1.490 6.102) 6.622 13.220 ( 0.661 -6.622 -8.196) 10.558 13.274 ( -2.195 3.397 5.023) 6.449 13.388 ( -1.894 -3.887 1.170) 4.479 13.532 ( -1.201 9.073 -0.120) 9.153 13.681 ( 1.937 4.911 -0.805) 5.340 13.764 ( 0.493 -0.012 1.232) 1.327 13.769 ( 0.709 -0.654 0.296) 1.009 13.901 ( -3.942 2.090 3.512) 5.678 14.155 ( -0.301 3.854 -3.469) 5.194 14.259 ( -5.558 7.580 -3.272) 9.953 14.388 ( 1.683 -2.673 4.659) 5.629 14.423 ( 7.709 -11.715 -5.197) 14.956 14.438 ( -2.660 -2.777 2.295) 4.479 14.522 ( 4.159 -5.002 2.974) 7.153 14.779 ( 7.182 -1.403 3.740) 8.217 14.954 ( -1.211 -0.119 -5.314) 5.451 15.130 ( 1.525 -4.609 8.689) 9.953 15.201 ( 2.502 2.220 1.776) 3.787 15.248 ( -3.877 7.251 5.510) 9.898 15.632 ( -3.504 2.203 -11.900) 12.600 15.852 ( -1.816 -8.198 3.820) 9.225 15.954 ( 0.850 -0.101 0.065) 0.859 16.086 ( -1.673 -0.665 -1.987) 2.681 16.179 ( -5.942 7.482 -3.119) 10.050 16.770 ( 5.650 -4.607 10.107) 12.462 16.901 ( 1.711 -3.935 2.856) 5.155 17.005 ( -2.143 -4.342 -5.081) 7.019 17.400 ( -1.822 7.753 -9.892) 12.700 18.294 ( 2.603 -0.459 12.914) 13.182 18.583 ( -0.561 3.722 -7.627) 8.505 18.900 ( 3.296 3.170 1.791) 4.911 18.946 ( 0.714 2.219 -0.867) 2.487 19.951 ( 0.136 0.314 -1.650) 1.685 19.984 ( -0.581 1.799 -0.952) 2.117 ======================= Grid point 241 (47/58) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.616 ( 12.130 21.010 12.311) 27.205 2.650 ( 12.439 21.544 7.603) 26.013 2.969 ( 10.966 18.993 -11.322) 24.682 3.018 ( 7.329 12.694 -11.064) 18.364 3.932 ( 3.267 5.659 2.848) 7.128 4.018 ( 0.245 0.425 0.220) 0.538 4.223 ( -0.760 -1.317 3.138) 3.487 4.227 ( -1.014 -1.757 -1.021) 2.271 4.777 ( -7.635 -13.225 -5.204) 16.133 4.827 ( -6.503 -11.264 6.509) 14.544 5.051 ( -1.100 -1.905 5.815) 6.217 5.187 ( -1.556 -2.695 -2.243) 3.836 6.332 ( 2.301 3.985 -4.848) 6.684 6.365 ( 1.754 3.038 1.087) 3.673 6.780 ( 0.814 1.410 1.513) 2.223 7.183 ( -2.066 -3.579 -4.548) 6.145 7.237 ( -3.933 -6.813 0.626) 7.892 7.399 ( 0.190 0.329 6.285) 6.297 7.653 ( 3.115 5.394 -1.931) 6.521 7.747 ( 0.140 0.242 -0.781) 0.829 7.855 ( -4.032 -6.983 2.258) 8.374 7.965 ( -3.243 -5.617 -5.253) 8.346 8.356 ( 0.236 0.408 -6.826) 6.842 8.427 ( -2.069 -3.584 0.087) 4.139 8.604 ( -0.773 -1.338 1.687) 2.288 8.696 ( 4.458 7.721 9.576) 13.084 9.148 ( 5.093 8.822 3.829) 10.882 9.293 ( 3.205 5.552 -12.863) 14.372 9.572 ( 1.363 2.360 -1.870) 3.305 9.747 ( 1.880 3.256 9.621) 10.330 9.961 ( 1.106 1.915 7.246) 7.576 10.118 ( 0.062 0.108 0.367) 0.388 10.378 ( -3.114 -5.393 5.364) 8.219 10.403 ( 4.217 7.304 -3.867) 9.278 10.734 ( -2.421 -4.194 12.667) 13.561 10.804 ( 4.292 7.434 -10.242) 13.364 11.006 ( -1.634 -2.830 -10.226) 10.735 11.117 ( 0.564 0.977 -5.584) 5.697 11.141 ( -3.404 -5.895 3.852) 7.821 11.339 ( -3.273 -5.669 -0.108) 6.547 11.598 ( -3.012 -5.217 -4.366) 7.440 11.698 ( -1.725 -2.988 -1.832) 3.906 11.736 ( -8.450 -14.635 -3.509) 17.260 11.877 ( -4.027 -6.976 3.187) 8.663 12.017 ( 1.345 2.330 -5.061) 5.732 12.259 ( -3.502 -6.065 -1.989) 7.280 12.472 ( -1.815 -3.143 4.664) 5.910 12.759 ( 4.042 7.000 3.827) 8.943 13.019 ( -2.311 -4.003 0.284) 4.631 13.151 ( -0.304 -0.527 8.684) 8.705 13.219 ( -2.434 -4.216 -14.079) 14.897 13.362 ( 1.549 2.682 -2.753) 4.144 13.412 ( 3.458 5.990 -4.532) 8.269 13.535 ( -1.101 -1.906 3.088) 3.792 13.557 ( 2.194 3.800 -1.706) 4.707 13.705 ( -4.338 -7.513 1.083) 8.743 13.885 ( 3.522 6.100 5.441) 8.901 14.006 ( 1.711 2.964 8.612) 9.267 14.069 ( 1.648 2.854 -0.707) 3.370 14.078 ( 0.305 0.527 2.641) 2.711 14.278 ( 2.554 4.424 1.263) 5.262 14.349 ( -3.565 -6.175 -4.023) 8.187 14.476 ( -0.258 -0.448 2.575) 2.626 14.633 ( -1.801 -3.119 -0.167) 3.605 14.699 ( -3.970 -6.877 0.486) 7.955 14.953 ( 2.508 4.343 -5.943) 7.776 15.091 ( -0.879 -1.522 5.035) 5.333 15.180 ( 1.301 2.253 -0.203) 2.609 15.257 ( 1.440 2.495 7.272) 7.822 15.758 ( -0.701 -1.214 -3.607) 3.869 15.802 ( 4.393 7.609 2.123) 9.039 16.124 ( -8.188 -14.181 -0.828) 16.396 16.130 ( -0.463 -0.802 -0.805) 1.227 16.384 ( 1.229 2.129 -4.217) 4.881 16.457 ( -0.276 -0.479 6.121) 6.146 17.041 ( -2.819 -4.883 1.523) 5.841 17.111 ( -4.218 -7.305 -2.600) 8.827 17.358 ( 2.611 4.522 -7.577) 9.202 18.177 ( 2.145 3.716 12.376) 13.098 18.549 ( 2.346 4.063 -8.029) 9.299 18.704 ( 5.776 10.004 2.818) 11.890 18.838 ( 4.667 8.083 -2.617) 9.693 19.951 ( 0.478 0.829 0.898) 1.312 19.968 ( 1.093 1.893 -2.830) 3.576 ======================= Grid point 242 (48/58) ======================= q-point: ( 0.30 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 5.403 18.817 5.898) 20.446 3.123 ( 15.862 15.699 2.058) 22.412 3.247 ( 3.537 13.258 -5.627) 14.831 3.357 ( 11.125 16.639 -5.323) 20.711 3.943 ( -2.913 -2.851 -1.687) 4.412 3.970 ( -4.153 -2.623 1.606) 5.168 4.169 ( -2.138 -3.232 0.680) 3.934 4.206 ( 0.681 -3.658 2.825) 4.672 4.504 ( -5.103 -14.682 -4.899) 16.298 4.598 ( -4.827 -11.636 8.597) 15.252 5.051 ( 0.302 2.458 4.601) 5.225 5.137 ( -2.252 -0.550 -1.172) 2.598 6.388 ( 1.087 -1.795 -3.670) 4.228 6.403 ( 2.378 -1.127 -0.367) 2.657 6.758 ( 0.691 -2.502 1.476) 2.986 6.993 ( -6.700 -6.764 0.671) 9.545 7.128 ( -0.673 -8.195 0.107) 8.223 7.411 ( 0.827 -2.123 2.803) 3.613 7.598 ( -5.748 -5.033 -2.964) 8.195 7.774 ( -4.931 3.036 -1.903) 6.095 7.836 ( 2.076 2.495 -5.536) 6.417 7.972 ( 8.866 -1.535 -1.060) 9.060 8.391 ( 1.874 -1.919 -3.703) 4.572 8.417 ( 4.029 1.825 -1.271) 4.602 8.583 ( -2.564 2.188 5.627) 6.559 8.849 ( 4.638 3.674 7.826) 9.811 9.261 ( -1.959 8.637 -2.321) 9.156 9.375 ( 3.969 1.281 -5.823) 7.163 9.663 ( -4.141 13.736 2.915) 14.640 9.885 ( 5.309 1.157 4.376) 6.977 9.975 ( -1.854 11.708 6.904) 13.718 10.152 ( 3.134 -1.222 0.738) 3.443 10.338 ( 0.758 0.370 4.914) 4.986 10.502 ( 1.751 0.153 0.588) 1.854 10.663 ( -4.740 4.218 7.015) 9.459 10.882 ( -3.847 -1.122 1.036) 4.139 10.943 ( -3.994 2.311 -6.745) 8.173 11.009 ( 0.489 -2.596 -9.238) 9.608 11.160 ( -2.337 -5.498 -4.515) 7.488 11.228 ( -0.602 1.520 -3.642) 3.992 11.433 ( -1.989 -12.667 -3.543) 13.302 11.491 ( -3.550 -15.761 -1.334) 16.211 11.563 ( 1.428 -9.448 -3.677) 10.238 11.859 ( 3.509 3.220 -1.444) 4.976 12.117 ( -9.728 1.922 1.004) 9.966 12.173 ( 3.271 8.284 -4.024) 9.773 12.456 ( 6.403 -8.149 1.299) 10.445 12.878 ( 0.319 5.807 5.505) 8.007 12.917 ( -3.858 -0.596 -2.212) 4.487 13.084 ( -2.965 -4.168 7.984) 9.482 13.123 ( 0.512 -8.321 -8.629) 11.998 13.369 ( -4.840 3.986 2.013) 6.585 13.465 ( -6.278 -0.727 1.140) 6.422 13.541 ( 6.709 1.739 -1.276) 7.048 13.627 ( 4.568 -1.537 0.494) 4.845 13.678 ( 2.418 4.921 -2.245) 5.925 13.923 ( -7.170 0.844 -0.261) 7.224 13.977 ( 0.032 1.526 2.986) 3.354 14.127 ( 3.617 -6.215 -2.287) 7.546 14.215 ( 4.294 9.130 0.981) 10.137 14.292 ( 3.734 -4.173 7.902) 9.685 14.387 ( 3.653 3.311 0.629) 4.970 14.469 ( -0.768 2.129 5.032) 5.518 14.481 ( -6.052 -3.912 1.006) 7.277 14.670 ( 3.279 -0.602 -0.490) 3.370 15.021 ( -3.358 -1.096 1.392) 3.796 15.061 ( 3.525 1.256 -4.480) 5.837 15.154 ( -2.238 -3.036 2.603) 4.583 15.333 ( 2.395 3.308 2.132) 4.607 15.693 ( -3.215 -2.329 -5.499) 6.782 15.823 ( -6.286 -12.128 0.294) 13.663 15.977 ( -1.902 3.453 1.107) 4.095 16.058 ( 3.700 -0.327 1.165) 3.893 16.386 ( -6.438 9.137 -0.171) 11.179 16.592 ( 10.194 -0.368 2.432) 10.487 16.866 ( -4.620 -9.638 4.095) 11.446 16.993 ( -2.521 -5.561 -4.969) 7.872 17.463 ( 1.584 4.936 -10.841) 12.017 18.267 ( 2.649 3.885 16.170) 16.840 18.615 ( 0.913 2.929 -9.978) 10.439 18.877 ( 4.141 5.762 1.814) 7.323 18.957 ( 1.726 3.751 -0.828) 4.211 19.964 ( -0.214 1.190 -0.133) 1.216 20.000 ( 0.521 1.293 -1.728) 2.220 ======================= Grid point 243 (49/58) ======================= q-point: ( 0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.142 ( -6.760 11.709 2.032) 13.672 3.302 ( -5.388 9.332 -2.561) 11.076 3.478 ( -2.711 4.695 1.264) 5.566 3.610 ( -4.196 7.267 -3.684) 9.165 3.825 ( -0.697 1.207 0.819) 1.617 3.862 ( -0.229 0.396 -1.202) 1.286 4.131 ( 2.183 -3.782 -3.689) 5.716 4.181 ( 2.455 -4.252 4.769) 6.844 4.377 ( 6.700 -11.604 -3.279) 13.795 4.478 ( 4.738 -8.207 10.455) 14.111 5.086 ( -1.350 2.338 3.101) 4.111 5.099 ( -0.998 1.728 -0.340) 2.024 6.382 ( 2.106 -3.648 -6.113) 7.424 6.408 ( 1.715 -2.970 3.021) 4.571 6.791 ( 1.762 -3.051 -0.240) 3.532 6.862 ( 1.573 -2.725 2.990) 4.340 7.076 ( 3.071 -5.319 -0.706) 6.182 7.418 ( 0.879 -1.522 1.699) 2.445 7.496 ( 0.807 -1.398 -4.615) 4.889 7.728 ( -3.350 5.803 -0.785) 6.747 7.877 ( 0.963 -1.668 -7.293) 7.543 8.056 ( 4.336 -7.510 -2.360) 8.987 8.402 ( 1.096 -1.899 -1.565) 2.694 8.510 ( 0.247 -0.427 1.852) 1.916 8.543 ( -2.344 4.061 5.694) 7.376 8.910 ( 0.247 -0.427 7.417) 7.434 9.290 ( -3.866 6.697 -4.864) 9.136 9.421 ( -1.120 1.940 -4.299) 4.848 9.697 ( -7.809 13.525 4.341) 16.210 9.896 ( -2.745 4.755 2.703) 6.120 10.098 ( -4.126 7.146 7.993) 11.488 10.178 ( 0.718 -1.243 1.176) 1.855 10.350 ( -0.398 0.689 4.499) 4.569 10.552 ( 0.205 -0.355 -4.753) 4.770 10.591 ( -1.720 2.979 8.598) 9.261 10.783 ( -3.044 5.273 4.982) 7.867 10.923 ( 0.805 -1.394 0.504) 1.686 11.047 ( -1.185 2.052 -17.745) 17.902 11.073 ( 0.975 -1.689 -0.396) 1.990 11.246 ( -0.328 0.568 -11.093) 11.112 11.354 ( 7.354 -12.738 -1.594) 14.795 11.354 ( 5.266 -9.121 -0.626) 10.551 11.547 ( 5.017 -8.690 -5.593) 11.488 11.970 ( -2.054 3.557 -0.683) 4.164 11.977 ( -2.114 3.661 4.951) 6.510 12.241 ( -1.582 2.739 -4.268) 5.313 12.494 ( 4.418 -7.652 -6.428) 10.927 12.847 ( -1.671 2.895 2.663) 4.274 12.933 ( -1.384 2.398 2.494) 3.727 13.021 ( 0.542 -0.938 6.187) 6.281 13.093 ( 3.334 -5.774 -2.884) 7.264 13.345 ( -2.218 3.841 2.434) 5.059 13.372 ( -0.682 1.182 2.727) 3.049 13.661 ( 2.293 -3.972 3.244) 5.618 13.670 ( -0.199 0.344 -3.850) 3.870 13.750 ( -0.303 0.525 0.563) 0.827 13.802 ( -1.223 2.118 -6.638) 7.074 13.968 ( -1.698 2.940 4.657) 5.763 14.128 ( 3.547 -6.143 -2.514) 7.526 14.311 ( 2.609 -4.519 8.888) 10.306 14.315 ( -2.324 4.025 -0.276) 4.656 14.408 ( -1.065 1.844 0.600) 2.212 14.452 ( -3.247 5.624 5.007) 8.200 14.455 ( 0.090 -0.156 0.032) 0.183 14.744 ( 1.215 -2.104 1.221) 2.719 14.975 ( -0.950 1.645 -3.043) 3.587 15.066 ( -0.137 0.236 1.299) 1.327 15.120 ( 4.207 -7.287 4.331) 9.464 15.375 ( -1.198 2.075 2.572) 3.515 15.635 ( 0.904 -1.567 -14.789) 14.900 15.731 ( 1.833 -3.175 3.624) 5.155 15.883 ( 2.613 -4.527 -0.505) 5.251 16.193 ( -4.550 7.880 2.637) 9.474 16.348 ( -5.076 8.792 1.353) 10.242 16.683 ( 1.914 -3.315 8.819) 9.614 16.786 ( 3.989 -6.909 1.460) 8.111 16.920 ( 2.303 -3.989 -8.406) 9.585 17.501 ( -1.351 2.341 -11.395) 11.711 18.316 ( -1.185 2.052 17.240) 17.402 18.638 ( -0.943 1.633 -10.682) 10.847 18.954 ( -0.975 1.689 1.247) 2.314 18.981 ( -0.825 1.429 0.031) 1.651 19.968 ( -0.752 1.303 -1.188) 1.917 20.012 ( -0.345 0.597 -0.735) 1.008 ======================= Grid point 249 (50/58) ======================= q-point: (-0.10 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( -11.890 20.594 21.887) 32.319 2.030 ( -10.259 17.769 25.042) 32.374 2.287 ( -6.231 10.793 -25.192) 28.107 2.400 ( -5.114 8.857 -26.549) 28.451 3.125 ( -14.683 25.432 35.442) 46.027 3.748 ( -5.783 10.017 -23.371) 26.077 4.323 ( 1.621 -2.808 0.986) 3.389 4.358 ( 1.526 -2.643 -2.266) 3.801 5.151 ( 5.177 -8.967 3.312) 10.871 5.214 ( 3.502 -6.065 3.072) 7.647 5.304 ( 1.863 -3.227 -3.340) 5.004 5.312 ( 1.854 -3.211 -1.544) 4.016 5.976 ( -2.595 4.494 9.693) 10.994 6.296 ( -2.681 4.643 -6.641) 8.535 6.455 ( -11.671 20.215 6.756) 24.301 6.488 ( -7.025 12.168 -13.164) 19.253 7.526 ( 1.505 -2.607 1.747) 3.481 7.620 ( 1.736 -3.007 -4.766) 5.897 7.657 ( 0.208 -0.361 3.439) 3.464 7.740 ( -1.388 2.403 0.312) 2.793 8.090 ( 4.318 -7.479 5.401) 10.186 8.267 ( 0.929 -1.609 3.229) 3.725 8.387 ( -0.643 1.114 -8.005) 8.108 8.405 ( -2.715 4.702 7.611) 9.349 8.687 ( 4.974 -8.615 11.727) 15.378 8.775 ( 4.016 -6.956 -10.535) 13.248 8.895 ( -5.172 8.958 -3.903) 11.056 8.961 ( 3.523 -6.101 -9.724) 12.008 9.672 ( 3.056 -5.293 17.005) 18.070 9.983 ( 4.314 -7.471 11.483) 14.363 9.996 ( 2.197 -3.805 -0.502) 4.422 10.097 ( -4.758 8.242 7.928) 12.386 10.294 ( 4.260 -7.378 -16.217) 18.319 10.307 ( -2.935 5.083 -16.829) 17.824 10.830 ( 3.284 -5.688 -0.607) 6.596 10.963 ( 1.851 -3.206 10.468) 11.103 11.015 ( 0.588 -1.019 -6.033) 6.147 11.197 ( 1.579 -2.735 -10.331) 10.803 11.313 ( 2.606 -4.514 13.244) 14.233 11.416 ( 2.265 -3.923 -2.787) 5.318 11.558 ( -2.223 3.851 6.469) 7.850 11.775 ( -0.928 1.607 -9.792) 9.966 12.074 ( 5.606 -9.711 2.440) 11.475 12.157 ( 3.908 -6.769 -3.310) 8.488 12.287 ( -3.092 5.356 4.464) 7.628 12.548 ( -5.711 9.892 -14.076) 18.127 12.715 ( 8.838 -15.308 2.210) 17.814 12.760 ( 7.174 -12.426 4.199) 14.950 13.038 ( -1.450 2.512 2.706) 3.967 13.042 ( 3.171 -5.493 12.352) 13.886 13.163 ( 0.647 -1.121 -5.087) 5.249 13.190 ( -1.535 2.658 -2.151) 3.748 13.376 ( -0.323 0.559 -1.108) 1.282 13.423 ( 0.511 -0.885 -0.621) 1.196 13.542 ( 3.012 -5.216 4.601) 7.579 13.924 ( -2.320 4.019 -1.232) 4.801 13.949 ( 1.785 -3.091 3.100) 4.728 14.028 ( 0.379 -0.656 -1.716) 1.876 14.114 ( 0.692 -1.199 -3.770) 4.017 14.166 ( -0.270 0.468 1.163) 1.282 14.187 ( 1.069 -1.852 -6.985) 7.305 14.318 ( -5.168 8.952 0.747) 10.364 14.415 ( -0.354 0.612 4.613) 4.667 14.609 ( -3.076 5.328 1.194) 6.267 14.693 ( 0.702 -1.217 0.886) 1.661 14.812 ( -3.229 5.593 2.528) 6.935 14.976 ( -1.534 2.657 7.019) 7.660 15.098 ( 1.671 -2.894 -10.436) 10.958 15.626 ( 0.463 -0.802 4.523) 4.617 15.656 ( -0.775 1.342 0.514) 1.633 15.682 ( 1.898 -3.287 -5.539) 6.715 15.934 ( -0.143 0.248 1.910) 1.932 16.374 ( -4.198 7.272 -6.729) 10.760 16.455 ( -4.055 7.023 3.574) 8.862 16.636 ( 2.778 -4.811 0.482) 5.576 16.702 ( -1.516 2.625 1.156) 3.244 17.560 ( 7.413 -12.840 4.793) 15.581 17.617 ( 7.213 -12.493 -0.533) 14.436 18.150 ( -5.076 8.792 0.467) 10.163 18.260 ( -1.899 3.289 3.999) 5.515 18.275 ( -4.519 7.827 -0.642) 9.061 18.311 ( -5.937 10.283 -4.217) 12.600 19.883 ( 0.180 -0.312 0.421) 0.554 19.924 ( -1.122 1.943 -0.697) 2.349 ======================= Grid point 253 (51/58) ======================= q-point: ( 0.30 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.322 ( 6.312 10.933 3.164) 13.015 3.383 ( 4.779 8.277 -2.021) 9.769 3.497 ( 5.498 9.522 -1.560) 11.105 3.675 ( 7.580 13.129 -1.470) 15.231 3.877 ( -1.824 -3.159 -1.779) 4.059 3.906 ( -2.401 -4.159 1.420) 5.007 4.087 ( -2.035 -3.525 0.021) 4.070 4.109 ( -2.622 -4.541 0.603) 5.278 4.216 ( -6.129 -10.615 -6.658) 13.949 4.387 ( -3.973 -6.881 13.779) 15.905 5.102 ( 1.119 1.937 2.542) 3.386 5.127 ( -0.325 -0.563 0.501) 0.821 6.341 ( -0.983 -1.703 -6.545) 6.834 6.372 ( -0.805 -1.394 3.510) 3.861 6.750 ( 1.065 1.845 1.165) 2.428 6.845 ( -3.518 -6.093 2.313) 7.406 7.013 ( -1.698 -2.942 -2.312) 4.109 7.401 ( 0.745 1.291 0.337) 1.528 7.480 ( -2.860 -4.954 -2.179) 6.121 7.822 ( 0.865 1.498 -2.509) 3.047 7.891 ( -0.267 -0.463 -5.182) 5.210 7.903 ( -0.613 -1.062 -6.196) 6.316 8.378 ( -0.121 -0.210 -1.230) 1.254 8.507 ( 3.119 5.402 4.782) 7.860 8.596 ( -0.857 -1.484 7.934) 8.117 8.899 ( 0.706 1.222 5.452) 5.632 9.392 ( 1.654 2.865 -3.322) 4.688 9.417 ( 1.285 2.226 -6.586) 7.069 9.887 ( 3.219 5.576 1.611) 6.637 9.925 ( 1.395 2.416 3.015) 4.108 10.164 ( 1.245 2.156 4.797) 5.405 10.167 ( 2.976 5.154 8.756) 10.587 10.413 ( 3.652 6.326 2.607) 7.756 10.478 ( -0.059 -0.102 0.217) 0.247 10.636 ( -4.669 -8.087 2.831) 9.757 10.911 ( 1.623 2.811 4.008) 5.158 10.925 ( 1.558 2.698 3.583) 4.749 11.029 ( 0.344 0.596 -11.521) 11.542 11.045 ( -3.162 -5.477 5.385) 8.306 11.170 ( -6.885 -11.925 -2.273) 13.956 11.262 ( -0.614 -1.064 -9.399) 9.479 11.305 ( 0.783 1.357 -17.033) 17.105 11.399 ( -3.491 -6.047 -5.479) 8.875 11.973 ( 4.430 7.672 2.502) 9.206 12.122 ( -1.672 -2.895 0.621) 3.400 12.190 ( -3.047 -5.278 7.764) 9.870 12.419 ( 2.257 3.909 -15.624) 16.263 12.904 ( -0.248 -0.430 -5.269) 5.292 12.982 ( 1.303 2.256 8.237) 8.639 12.986 ( -1.171 -2.027 4.752) 5.297 13.021 ( -1.494 -2.589 0.215) 2.997 13.373 ( -0.418 -0.724 0.850) 1.192 13.427 ( -2.271 -3.933 1.101) 4.673 13.615 ( 2.993 5.183 5.250) 7.961 13.619 ( 0.807 1.398 -1.171) 1.994 13.750 ( 0.700 1.212 -5.013) 5.205 13.837 ( -3.546 -6.141 -6.974) 9.946 13.958 ( -0.693 -1.200 1.058) 1.743 14.136 ( 1.885 3.265 7.375) 8.283 14.229 ( -1.229 -2.128 9.367) 9.684 14.365 ( 1.652 2.862 2.275) 4.012 14.396 ( -1.483 -2.569 2.376) 3.800 14.462 ( 1.270 2.200 0.024) 2.541 14.606 ( 5.566 9.641 4.879) 12.155 14.671 ( 0.933 1.616 0.249) 1.883 14.971 ( -5.657 -9.798 7.389) 13.513 15.039 ( 1.379 2.388 -3.528) 4.478 15.109 ( -0.864 -1.497 -6.426) 6.655 15.366 ( 0.567 0.982 -1.370) 1.778 15.613 ( -2.284 -3.955 -14.198) 14.914 15.695 ( 0.602 1.042 4.809) 4.957 15.836 ( -4.868 -8.432 -0.601) 9.755 16.294 ( 7.859 13.612 6.522) 17.017 16.487 ( 0.279 0.482 9.306) 9.322 16.627 ( -5.685 -9.846 9.973) 15.124 16.688 ( 3.376 5.848 -10.346) 12.354 16.869 ( -3.746 -6.488 -7.310) 10.467 17.521 ( 0.658 1.140 -11.502) 11.577 18.344 ( 1.434 2.484 18.751) 18.969 18.654 ( 0.544 0.943 -12.405) 12.452 18.969 ( 1.709 2.961 1.046) 3.575 18.999 ( 0.236 0.408 0.300) 0.559 19.990 ( 0.639 1.107 -0.418) 1.345 20.012 ( -0.079 -0.137 -1.151) 1.162 ======================= Grid point 258 (52/58) ======================= q-point: (-0.20 0.30 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.303 ( -18.101 22.565 11.933) 31.293 2.402 ( -10.550 18.323 18.120) 27.846 2.579 ( -12.327 12.667 -18.719) 25.745 2.629 ( -9.418 9.503 -20.939) 24.848 3.658 ( -17.456 17.816 18.939) 31.318 3.924 ( -4.636 4.089 -7.237) 9.518 4.254 ( 2.660 -3.009 0.643) 4.068 4.302 ( 2.038 -1.529 -2.223) 3.381 4.923 ( 8.561 -10.906 5.062) 14.760 5.059 ( 5.821 -7.474 1.566) 9.602 5.212 ( 4.813 -2.212 -2.119) 5.705 5.239 ( 2.525 -3.448 -3.429) 5.479 6.118 ( -7.775 4.570 6.621) 11.188 6.368 ( -1.779 2.847 -4.746) 5.813 6.750 ( -8.981 7.332 -7.245) 13.671 6.873 ( -9.109 17.627 3.533) 20.154 7.449 ( -0.495 -6.538 -1.889) 6.823 7.562 ( 3.389 -0.282 -1.264) 3.628 7.602 ( 2.262 -5.674 -2.024) 6.435 7.761 ( 1.530 1.203 0.600) 2.037 7.908 ( 5.469 -6.643 7.755) 11.584 8.120 ( 11.428 -5.280 -3.881) 13.173 8.311 ( -4.298 -10.462 3.481) 11.834 8.550 ( 0.125 -1.156 3.611) 3.793 8.576 ( 2.602 -0.285 4.491) 5.198 8.744 ( -6.767 0.461 -4.410) 8.090 8.921 ( 1.814 8.173 -0.771) 8.407 9.090 ( -5.816 9.831 -7.477) 13.652 9.533 ( 1.705 -6.887 7.459) 10.295 9.868 ( 2.991 -3.424 -2.168) 5.037 9.931 ( 1.045 2.563 9.337) 9.738 10.163 ( 6.174 1.047 -13.632) 15.002 10.318 ( -6.065 9.866 14.365) 18.452 10.417 ( -4.492 0.422 -10.945) 11.839 10.681 ( 3.872 -8.509 -5.404) 10.798 10.843 ( 7.859 0.338 4.912) 9.274 11.030 ( 0.665 1.952 0.386) 2.098 11.116 ( 2.081 -5.031 -8.325) 9.948 11.247 ( 1.138 -2.877 11.575) 11.982 11.394 ( -4.339 -5.761 -6.802) 9.914 11.574 ( 2.159 -1.413 4.463) 5.155 11.782 ( 3.258 2.783 -6.283) 7.605 11.910 ( 2.380 -6.698 3.361) 7.863 12.005 ( 4.697 -4.878 -3.310) 7.537 12.250 ( 7.515 -16.666 -2.486) 18.450 12.398 ( 13.807 -10.235 1.976) 17.300 12.521 ( -2.314 -1.688 2.654) 3.905 12.731 ( -3.850 8.610 -11.928) 15.206 12.973 ( 3.037 0.534 9.439) 9.930 13.070 ( -0.491 0.287 3.686) 3.730 13.208 ( 1.506 4.033 1.250) 4.483 13.239 ( -3.432 3.147 -4.855) 6.728 13.394 ( -4.213 -3.805 -0.693) 5.719 13.431 ( 1.982 -0.216 4.307) 4.746 13.498 ( -3.866 1.503 3.529) 5.446 13.840 ( 5.304 -1.249 -1.022) 5.544 13.953 ( 5.718 2.445 -2.843) 6.838 14.009 ( 1.767 -2.523 -0.833) 3.191 14.051 ( -1.359 1.337 -1.645) 2.518 14.157 ( 0.766 -0.314 2.291) 2.436 14.268 ( -7.742 -3.820 -1.082) 8.701 14.461 ( -9.136 -5.112 -4.634) 11.449 14.495 ( -3.105 5.372 -1.942) 6.502 14.633 ( 3.407 0.799 1.010) 3.642 14.709 ( -1.263 5.156 5.208) 7.437 14.894 ( -0.741 -0.816 3.075) 3.266 15.015 ( 5.041 1.770 -2.521) 5.908 15.073 ( -2.897 6.555 -0.978) 7.233 15.575 ( 5.116 0.897 10.485) 11.701 15.583 ( 2.677 -7.102 -10.307) 12.800 15.749 ( -6.561 1.412 -2.229) 7.071 15.950 ( 0.446 5.217 5.987) 7.953 16.407 ( 5.607 -4.323 -0.876) 7.134 16.415 ( 4.742 -5.688 -3.385) 8.142 16.613 ( -7.145 -3.127 -3.980) 8.756 16.856 ( -3.664 11.814 5.429) 13.508 17.276 ( 7.292 -12.124 2.770) 14.417 17.354 ( 8.449 -9.002 2.294) 12.558 18.298 ( -5.316 3.891 -7.826) 10.229 18.313 ( -0.776 4.176 7.138) 8.306 18.536 ( -9.506 11.500 4.979) 15.729 18.573 ( -9.981 8.990 -4.442) 14.148 19.895 ( -0.835 1.168 0.820) 1.653 19.963 ( -0.833 1.895 -2.454) 3.211 ======================= Grid point 269 (53/58) ======================= q-point: (-0.30 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.739 ( -8.155 16.245 11.926) 21.740 2.863 ( -10.518 12.621 -7.109) 17.901 2.879 ( -15.504 16.461 -0.437) 22.617 2.983 ( -15.936 13.050 -12.299) 23.990 3.972 ( 0.348 -2.105 0.879) 2.308 4.006 ( -4.088 3.918 1.735) 5.922 4.195 ( -0.598 -0.477 2.854) 2.955 4.259 ( 1.409 -0.807 -0.489) 1.696 4.659 ( 6.313 -11.291 7.592) 14.999 4.874 ( 5.564 -7.712 -0.471) 9.522 5.098 ( 6.038 -0.270 0.209) 6.047 5.162 ( 2.900 -1.320 -4.628) 5.619 6.324 ( -9.572 3.682 2.307) 10.512 6.411 ( -2.349 -1.977 -0.965) 3.219 6.887 ( -1.979 -0.496 -4.828) 5.241 7.003 ( 4.398 3.885 0.220) 5.873 7.404 ( 1.608 -10.432 -3.180) 11.024 7.500 ( 8.009 1.534 4.561) 9.343 7.531 ( -4.455 -3.495 -2.426) 6.160 7.755 ( 2.139 0.461 2.085) 3.022 7.801 ( -0.511 -4.475 3.115) 5.476 7.919 ( -0.877 -1.451 -1.017) 1.977 8.345 ( -6.353 -1.689 5.196) 8.380 8.452 ( 1.154 -7.667 1.428) 7.883 8.556 ( 2.503 2.333 -0.194) 3.427 8.903 ( -5.109 5.209 -5.314) 9.026 9.013 ( -2.080 6.742 5.968) 9.241 9.276 ( -3.991 6.672 -1.853) 7.992 9.505 ( 0.928 3.702 -1.949) 4.286 9.840 ( 5.887 10.782 -3.453) 12.761 9.959 ( -3.155 0.303 3.990) 5.096 10.102 ( 1.216 0.390 -3.874) 4.079 10.455 ( -0.522 2.729 3.623) 4.566 10.469 ( 0.173 0.952 3.318) 3.456 10.582 ( -0.486 -1.227 -1.130) 1.737 10.725 ( 6.901 3.323 -0.573) 7.681 10.971 ( 2.571 -5.164 -1.873) 6.065 11.077 ( 0.787 -0.359 -7.512) 7.562 11.188 ( 2.619 -2.332 6.853) 7.698 11.342 ( 3.710 -5.637 -7.682) 10.225 11.585 ( -8.003 -4.000 3.313) 9.541 11.662 ( 4.293 -12.667 0.701) 13.393 11.835 ( 3.369 -3.148 0.159) 4.614 11.882 ( 4.975 -11.615 -2.348) 12.852 11.948 ( 3.966 -1.206 0.910) 4.244 12.144 ( 8.299 0.578 -2.248) 8.617 12.608 ( -5.250 -1.071 -0.280) 5.365 12.858 ( 0.142 6.918 -3.952) 7.968 12.916 ( -0.286 -2.642 -1.491) 3.047 13.067 ( -0.223 -0.825 7.006) 7.058 13.201 ( 3.183 2.699 2.119) 4.680 13.328 ( -1.844 1.056 -4.561) 5.032 13.397 ( 1.542 2.882 3.117) 4.516 13.452 ( -5.546 -2.958 2.312) 6.697 13.611 ( -3.003 3.158 0.305) 4.369 13.775 ( -0.761 -2.854 -1.824) 3.472 13.874 ( 9.011 6.222 -2.171) 11.164 13.929 ( 1.393 1.811 -1.781) 2.897 14.107 ( 2.423 -3.090 3.835) 5.489 14.145 ( -4.021 0.753 3.313) 5.264 14.309 ( -2.648 -3.294 3.097) 5.239 14.539 ( -1.019 -2.616 -1.417) 3.145 14.549 ( 2.132 -0.208 -3.361) 3.986 14.611 ( -2.565 -4.040 -7.634) 9.009 14.759 ( -5.517 -2.035 -5.429) 8.003 14.901 ( 3.293 2.384 5.700) 7.001 14.966 ( -2.861 6.316 2.950) 7.535 15.212 ( -2.417 7.718 -0.001) 8.088 15.465 ( 1.409 -7.865 -10.554) 13.238 15.483 ( 6.433 0.597 12.206) 13.810 15.879 ( -5.886 0.916 -3.146) 6.736 16.002 ( 0.813 5.786 9.047) 10.770 16.206 ( 8.902 -5.916 -0.537) 10.702 16.242 ( 7.554 -6.006 -6.803) 11.808 16.717 ( -8.216 -4.926 -0.177) 9.581 16.991 ( 0.386 6.315 1.596) 6.526 17.102 ( 1.407 -7.722 -1.162) 7.935 17.175 ( 3.544 -1.801 6.453) 7.579 18.366 ( -1.049 3.186 9.125) 9.722 18.434 ( -4.450 4.244 -9.564) 11.370 18.782 ( -6.567 7.444 3.713) 10.599 18.804 ( -7.286 5.299 -2.500) 9.350 19.925 ( -0.550 1.815 0.449) 1.948 19.989 ( -0.151 1.389 -3.192) 3.484 ======================= Grid point 270 (54/58) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.765 ( -9.669 16.747 11.526) 22.512 2.802 ( -14.386 24.917 5.659) 29.322 2.873 ( -9.011 15.608 -13.188) 22.332 2.884 ( -8.486 14.698 -12.986) 21.370 3.957 ( 0.419 -0.726 0.130) 0.848 3.969 ( -5.948 10.302 5.578) 13.139 4.194 ( 1.213 -2.101 1.447) 2.825 4.271 ( 1.153 -1.996 -1.181) 2.590 4.663 ( 8.118 -14.061 5.571) 17.165 4.883 ( 5.265 -9.119 1.724) 10.670 5.165 ( 1.691 -2.929 -0.602) 3.435 5.171 ( 1.252 -2.168 -5.233) 5.801 6.250 ( -4.536 7.857 3.110) 9.591 6.375 ( 0.979 -1.695 -0.374) 1.993 6.864 ( -1.048 1.815 -6.359) 6.695 7.114 ( -1.332 2.306 3.040) 4.041 7.273 ( 4.648 -8.051 -3.613) 9.974 7.505 ( 1.471 -2.547 -4.356) 5.256 7.611 ( -1.352 2.341 2.585) 3.740 7.737 ( 1.478 -2.560 0.033) 2.956 7.791 ( 2.142 -3.710 10.908) 11.719 7.907 ( 5.955 -10.314 -3.196) 12.331 8.263 ( -2.129 3.688 3.651) 5.609 8.428 ( 3.761 -6.514 0.038) 7.522 8.600 ( -1.157 2.005 1.041) 2.538 8.839 ( -3.656 6.332 -3.774) 8.228 9.074 ( -3.254 5.636 8.721) 10.882 9.270 ( -4.221 7.311 -7.740) 11.453 9.547 ( -4.108 7.115 0.825) 8.257 9.868 ( -2.251 3.899 -3.464) 5.681 10.012 ( -2.260 3.915 8.131) 9.303 10.139 ( 1.246 -2.158 -10.012) 10.318 10.458 ( -1.902 3.295 -5.944) 7.057 10.477 ( -0.269 0.466 5.787) 5.812 10.566 ( -1.617 2.800 3.912) 5.076 10.806 ( 1.893 -3.278 6.033) 7.122 10.977 ( 3.854 -6.676 -8.459) 11.445 11.111 ( -1.459 2.527 -4.907) 5.709 11.213 ( 0.418 -0.724 10.283) 10.317 11.266 ( 3.878 -6.717 -9.232) 12.057 11.501 ( 2.368 -4.102 5.398) 7.182 11.674 ( 7.994 -13.847 2.295) 16.153 11.805 ( 2.527 -4.378 -10.551) 11.699 11.866 ( 8.176 -14.161 2.450) 16.534 11.982 ( -0.535 0.927 0.537) 1.198 12.241 ( 2.789 -4.831 -0.028) 5.578 12.540 ( -0.723 1.253 -2.786) 3.139 12.891 ( -3.836 6.644 -9.079) 11.886 12.941 ( 2.109 -3.653 7.018) 8.188 13.024 ( 2.197 -3.805 6.202) 7.601 13.298 ( -0.759 1.315 4.948) 5.176 13.321 ( -2.401 4.158 5.294) 7.147 13.328 ( -0.996 1.725 -8.698) 8.923 13.504 ( -2.837 4.914 1.508) 5.872 13.534 ( -0.950 1.645 1.895) 2.684 13.749 ( 3.411 -5.909 -2.462) 7.253 13.942 ( 0.102 -0.176 2.782) 2.789 14.001 ( 1.772 -3.069 0.878) 3.651 14.095 ( -0.864 1.497 1.210) 2.109 14.125 ( -1.180 2.044 -1.387) 2.737 14.289 ( -2.029 3.515 -0.643) 4.109 14.442 ( -1.590 2.754 -11.948) 12.363 14.531 ( -0.334 0.578 -2.873) 2.949 14.658 ( 0.147 -0.255 -2.796) 2.812 14.737 ( 5.161 -8.940 -3.026) 10.757 14.820 ( -3.250 5.630 8.371) 10.599 15.135 ( -0.680 1.178 -1.100) 1.749 15.143 ( -1.757 3.044 3.634) 5.056 15.440 ( 3.197 -5.537 -10.213) 12.049 15.540 ( 2.552 -4.421 15.359) 16.185 15.841 ( -3.812 6.602 -2.224) 7.941 16.038 ( -1.231 2.133 9.370) 9.688 16.261 ( 5.037 -8.724 -11.210) 15.071 16.300 ( 2.486 -4.307 3.455) 6.055 16.579 ( -0.286 0.495 -5.686) 5.715 17.041 ( -2.149 3.723 3.049) 5.270 17.071 ( 4.210 -7.292 0.517) 8.436 17.195 ( 2.566 -4.445 6.843) 8.554 18.369 ( -1.055 1.828 10.052) 10.271 18.418 ( -4.094 7.091 -11.556) 14.163 18.760 ( -4.940 8.556 -2.695) 10.240 18.763 ( -5.622 9.737 4.561) 12.133 19.935 ( -1.353 2.343 0.437) 2.741 19.993 ( -0.550 0.953 -3.033) 3.227 ======================= Grid point 280 (55/58) ======================= q-point: (-0.40 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.975 ( -1.637 11.453 5.508) 12.814 3.018 ( 0.299 6.893 -4.720) 8.359 3.347 ( -11.949 13.734 0.204) 18.206 3.377 ( -11.944 10.569 -6.627) 17.271 3.876 ( 6.286 -3.434 0.239) 7.167 3.902 ( 8.738 -3.730 -1.659) 9.644 4.157 ( 0.728 -5.341 3.605) 6.484 4.278 ( -0.869 -0.331 0.437) 1.028 4.564 ( -6.915 -9.017 4.326) 12.159 4.723 ( 2.900 -5.818 -0.000) 6.501 5.014 ( 4.541 3.175 2.980) 6.291 5.119 ( 2.037 1.561 -5.252) 5.846 6.393 ( -2.114 -5.269 1.967) 6.008 6.504 ( -5.034 0.592 -3.241) 6.016 6.873 ( -1.269 -3.271 -2.665) 4.406 6.971 ( 0.445 0.536 -1.343) 1.513 7.275 ( 0.037 -8.171 -5.207) 9.689 7.351 ( 7.638 0.016 8.005) 11.064 7.511 ( -1.738 -5.621 -0.765) 5.933 7.633 ( 4.914 -0.011 2.662) 5.589 7.882 ( -7.761 -5.768 0.649) 9.691 8.069 ( -6.804 0.946 3.269) 7.608 8.392 ( -1.904 1.931 1.598) 3.147 8.488 ( -3.494 0.668 4.191) 5.497 8.507 ( 2.386 -1.251 -0.841) 2.822 8.989 ( 4.256 8.585 -3.346) 10.149 9.096 ( -3.963 -1.194 4.191) 5.890 9.345 ( -0.609 0.341 3.582) 3.649 9.535 ( 4.809 10.787 -6.636) 13.547 9.841 ( 8.460 14.615 -8.898) 19.088 10.057 ( -4.714 1.808 3.201) 5.978 10.106 ( 0.214 0.660 3.326) 3.397 10.428 ( 0.759 -2.459 2.263) 3.427 10.483 ( 0.114 3.263 0.775) 3.356 10.563 ( 5.191 3.488 6.487) 9.011 10.689 ( 3.680 5.661 -8.488) 10.847 10.909 ( -2.239 -5.235 3.982) 6.948 11.026 ( 1.861 -2.721 -8.104) 8.749 11.116 ( 0.631 -4.536 2.053) 5.018 11.242 ( 2.942 -0.780 -9.125) 9.619 11.529 ( -4.805 -10.071 0.950) 11.199 11.610 ( 2.977 -11.338 1.134) 11.777 11.699 ( -9.191 -7.773 0.545) 12.050 11.855 ( 0.623 2.924 3.927) 4.935 11.921 ( 3.120 2.380 -0.457) 3.951 12.060 ( 3.865 2.713 -0.914) 4.810 12.651 ( -3.590 -5.325 -1.176) 6.529 12.853 ( -0.136 -1.203 1.987) 2.326 12.963 ( -1.291 2.990 -7.196) 7.898 13.084 ( -0.017 -1.435 5.309) 5.500 13.166 ( 0.755 3.731 -3.330) 5.057 13.320 ( 1.235 -2.131 1.732) 3.011 13.410 ( 0.830 1.631 -1.903) 2.640 13.520 ( -1.622 3.746 1.020) 4.207 13.617 ( 3.098 -0.427 4.826) 5.751 13.777 ( 4.225 2.293 -0.702) 4.858 13.814 ( -4.128 -1.499 -2.189) 4.907 13.970 ( 1.292 3.890 -4.144) 5.829 14.065 ( 1.068 2.955 4.817) 5.751 14.176 ( 3.437 5.107 4.262) 7.488 14.315 ( -3.391 -6.199 2.365) 7.451 14.458 ( 3.022 -1.537 0.828) 3.490 14.554 ( -2.184 -2.723 -5.107) 6.186 14.564 ( -0.724 -3.317 -5.551) 6.506 14.835 ( 1.862 1.336 5.200) 5.682 14.922 ( -8.381 -4.454 -8.010) 12.419 15.143 ( -5.551 5.467 6.799) 10.341 15.300 ( -0.573 3.894 -1.549) 4.230 15.363 ( 3.766 -3.570 7.911) 9.461 15.389 ( 1.457 -1.637 -7.795) 8.098 15.941 ( -1.520 -3.010 -2.524) 4.212 16.000 ( 3.398 -6.594 -3.830) 8.348 16.031 ( 3.309 4.373 2.338) 5.961 16.100 ( 5.712 5.083 3.713) 8.500 16.796 ( -4.101 -1.875 7.486) 8.740 16.975 ( 0.788 -2.876 -5.280) 6.064 17.045 ( -4.029 -8.363 -9.144) 13.030 17.176 ( 1.725 5.391 12.584) 13.799 18.405 ( -0.232 1.756 10.233) 10.385 18.524 ( -0.844 3.364 -9.939) 10.526 18.912 ( -1.943 3.010 2.133) 4.169 18.930 ( -2.361 2.202 -0.864) 3.342 19.945 ( 0.125 1.177 -1.122) 1.631 19.999 ( 0.550 1.439 -2.236) 2.716 ======================= Grid point 281 (56/58) ======================= q-point: (-0.30 0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 250 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( -4.570 15.073 4.356) 16.342 3.126 ( -2.218 15.045 -3.955) 15.713 3.248 ( -14.212 13.032 -6.500) 20.348 3.296 ( -13.707 19.598 1.011) 23.938 3.915 ( 1.957 -3.055 1.340) 3.868 4.007 ( 5.024 -2.014 -2.131) 5.818 4.159 ( 4.950 -4.543 1.421) 6.867 4.225 ( -2.361 -3.551 0.648) 4.313 4.397 ( 2.993 -13.701 5.590) 15.097 4.713 ( 3.644 -7.040 -1.698) 8.107 5.107 ( 3.043 0.986 0.431) 3.227 5.148 ( 0.272 -0.313 -3.502) 3.527 6.318 ( 0.492 -5.163 2.661) 5.829 6.412 ( -5.735 3.375 -1.425) 6.806 6.834 ( 0.897 -3.381 -5.820) 6.791 7.017 ( 5.824 -2.441 -1.141) 6.417 7.160 ( -0.974 -11.217 -3.145) 11.690 7.425 ( 2.436 -5.117 1.260) 5.805 7.510 ( 7.391 -4.813 5.331) 10.306 7.712 ( 3.976 0.025 5.120) 6.482 7.751 ( -2.784 -0.235 2.604) 3.819 7.909 ( -7.717 -2.892 2.598) 8.641 8.373 ( -2.813 2.771 -0.890) 4.048 8.392 ( -4.477 4.025 1.404) 6.182 8.628 ( 2.608 3.821 0.596) 4.665 8.953 ( -4.639 0.836 -1.761) 5.032 9.180 ( -0.200 8.458 4.348) 9.513 9.359 ( -0.011 2.328 -2.908) 3.725 9.708 ( -0.753 12.034 -0.949) 12.094 9.966 ( -2.157 1.140 -3.114) 3.956 10.092 ( -1.373 10.336 -1.231) 10.499 10.144 ( 0.431 5.936 -2.510) 6.459 10.429 ( 1.047 -1.295 -1.649) 2.344 10.521 ( -0.248 3.571 -1.607) 3.924 10.678 ( 1.570 5.214 11.221) 12.472 10.748 ( -1.729 -1.607 6.995) 7.382 10.862 ( 3.019 -2.548 -6.481) 7.590 11.052 ( 6.380 -5.028 -8.139) 11.499 11.115 ( 3.173 -4.065 0.902) 5.235 11.249 ( -2.383 -1.772 -3.876) 4.883 11.384 ( 3.811 -11.034 -0.589) 11.689 11.483 ( -1.945 -8.613 -0.068) 8.831 11.517 ( 2.684 -15.429 0.597) 15.672 11.869 ( -2.402 4.184 -1.490) 5.049 12.009 ( 1.436 2.885 8.068) 8.688 12.148 ( 4.600 -1.192 -0.392) 4.768 12.540 ( -1.569 -5.280 -6.517) 8.533 12.840 ( 2.392 -3.421 5.193) 6.663 12.974 ( -0.722 0.956 -0.767) 1.423 13.050 ( -4.952 3.652 -4.558) 7.657 13.223 ( 5.344 -1.260 -3.608) 6.570 13.370 ( 2.006 3.432 2.314) 4.599 13.455 ( -6.048 1.219 6.500) 8.962 13.487 ( 3.478 3.354 -1.564) 5.079 13.645 ( 1.108 -4.792 -1.756) 5.223 13.683 ( -7.812 2.807 -2.493) 8.667 13.835 ( 4.605 -6.162 6.748) 10.233 14.018 ( -1.572 0.606 -1.498) 2.254 14.141 ( 3.028 5.515 -1.155) 6.397 14.209 ( -4.476 7.470 1.191) 8.790 14.337 ( 1.501 4.116 3.177) 5.412 14.461 ( -1.099 -4.067 -4.553) 6.203 14.527 ( 6.170 -4.829 -4.350) 8.962 14.578 ( 1.059 3.629 -6.114) 7.188 14.722 ( -7.466 0.016 -5.824) 9.469 14.938 ( -0.544 2.132 7.000) 7.338 15.050 ( 1.014 -0.573 0.722) 1.370 15.213 ( -4.046 -5.956 -2.700) 7.690 15.377 ( 1.254 -1.574 1.384) 2.442 15.414 ( 2.391 -6.009 10.840) 12.622 15.926 ( 1.999 -1.595 -3.084) 4.007 15.984 ( 3.046 -7.243 1.087) 7.933 16.139 ( 1.321 4.799 -8.473) 9.827 16.276 ( 4.277 8.494 9.695) 13.580 16.654 ( -7.788 -0.982 -0.990) 7.912 16.955 ( 1.922 -6.466 -3.903) 7.793 16.966 ( 3.380 -6.387 -5.848) 9.296 17.223 ( -1.221 3.738 13.513) 14.074 18.397 ( -1.000 0.295 11.786) 11.832 18.555 ( -2.365 6.738 -12.678) 14.551 18.903 ( -3.370 4.477 -0.647) 5.641 18.917 ( -2.903 4.915 2.772) 6.346 19.973 ( 0.341 2.447 -0.787) 2.593 20.008 ( -0.640 0.456 -2.472) 2.594 ======================= Grid point 290 (57/58) ======================= q-point: (-0.40 0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 141 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.189 ( 5.924 10.261 -2.872) 12.191 3.230 ( 6.407 11.097 4.483) 13.575 3.538 ( 1.615 2.797 -4.584) 5.608 3.577 ( 4.236 7.338 -0.072) 8.473 3.846 ( 0.355 0.616 0.290) 0.768 3.865 ( 1.276 2.209 -2.858) 3.831 4.041 ( -2.752 -4.766 4.869) 7.348 4.227 ( -2.526 -4.376 0.065) 5.053 4.313 ( -7.827 -13.557 3.376) 16.014 4.640 ( -1.566 -2.712 -4.837) 5.762 5.085 ( 1.862 3.226 1.593) 4.051 5.146 ( 0.367 0.636 -2.954) 3.044 6.281 ( -2.751 -4.764 3.848) 6.713 6.482 ( -1.309 -2.268 -4.913) 5.567 6.823 ( -0.770 -1.334 -3.196) 3.548 6.939 ( -1.311 -2.271 -4.032) 4.810 7.100 ( -4.584 -7.939 -3.217) 9.716 7.362 ( 0.741 1.284 8.332) 8.463 7.412 ( -2.078 -3.598 1.968) 4.597 7.674 ( 1.717 2.975 4.697) 5.819 7.783 ( -1.712 -2.966 1.780) 3.860 7.954 ( -5.042 -8.733 5.220) 11.355 8.439 ( 0.009 0.016 -4.433) 4.433 8.510 ( 1.821 3.154 2.645) 4.500 8.582 ( 3.172 5.494 1.457) 6.509 9.003 ( -1.922 -3.328 -0.883) 3.943 9.226 ( 5.371 9.304 0.713) 10.766 9.359 ( 0.491 0.851 1.630) 1.903 9.783 ( 6.375 11.042 -3.136) 13.130 9.978 ( 0.429 0.743 -3.900) 3.994 10.166 ( 2.443 4.231 2.732) 5.597 10.218 ( 5.958 10.320 -4.372) 12.693 10.415 ( 0.844 1.462 -0.793) 1.865 10.531 ( 0.136 0.236 -3.205) 3.216 10.657 ( 2.651 4.592 10.187) 11.485 10.803 ( -1.777 -3.077 10.903) 11.468 10.804 ( 2.805 4.858 -9.051) 10.649 10.939 ( -3.006 -5.206 -1.323) 6.155 11.064 ( 0.474 0.821 -2.383) 2.565 11.225 ( -0.837 -1.450 -8.437) 8.602 11.330 ( -6.559 -11.361 -0.374) 13.124 11.366 ( -4.603 -7.972 -0.819) 9.242 11.507 ( -5.750 -9.960 -1.238) 11.567 11.965 ( 2.842 4.923 8.358) 10.108 11.967 ( 1.891 3.275 -0.534) 3.819 12.087 ( 0.075 0.130 4.647) 4.650 12.518 ( -3.854 -6.675 -6.806) 10.282 12.801 ( -1.598 -2.768 4.533) 5.547 13.045 ( -0.127 -0.220 -1.930) 1.946 13.052 ( 2.062 3.571 -5.894) 7.194 13.199 ( -0.499 -0.864 -7.008) 7.079 13.338 ( 2.782 4.819 3.251) 6.444 13.451 ( -0.342 -0.592 -5.046) 5.092 13.582 ( 0.396 0.686 11.350) 11.377 13.583 ( -0.577 -1.000 4.106) 4.266 13.734 ( -2.712 -4.698 1.077) 5.531 13.799 ( 0.502 0.869 -5.808) 5.894 14.033 ( -0.950 -1.646 -1.740) 2.577 14.138 ( 3.694 6.397 -2.073) 7.673 14.309 ( 2.620 4.539 -0.057) 5.241 14.320 ( 3.820 6.616 7.142) 10.458 14.440 ( -0.915 -1.586 2.694) 3.257 14.467 ( -2.326 -4.028 -6.474) 7.972 14.572 ( 2.816 4.877 -6.282) 8.437 14.825 ( -2.359 -4.085 -6.267) 7.844 14.891 ( 2.189 3.791 3.625) 5.684 15.120 ( -5.243 -9.081 -2.658) 10.817 15.160 ( -2.847 -4.932 8.030) 9.844 15.340 ( -0.954 -1.653 8.033) 8.256 15.406 ( -1.126 -1.950 -2.001) 3.012 15.853 ( -2.245 -3.888 -8.434) 9.555 15.890 ( -2.163 -3.746 -1.142) 4.474 16.207 ( 6.257 10.837 1.926) 12.660 16.273 ( 5.749 9.958 8.983) 14.591 16.760 ( -1.492 -2.584 6.524) 7.174 16.865 ( -3.632 -6.292 -7.783) 10.647 16.902 ( -3.130 -5.421 -11.933) 13.475 17.254 ( 1.186 2.055 13.817) 14.019 18.408 ( -0.490 -0.850 12.398) 12.437 18.614 ( 2.603 4.508 -12.750) 13.772 18.961 ( 0.999 1.730 1.975) 2.809 18.964 ( 0.586 1.015 0.058) 1.174 19.978 ( 1.069 1.852 -2.036) 2.953 20.019 ( 0.209 0.361 -1.423) 1.483 ======================= Grid point 292 (58/58) ======================= q-point: (-0.30 0.60 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.25e-05 1.25e-05 1.25e-05 1.25e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.340 ( -5.752 9.963 2.667) 11.809 3.381 ( -3.837 6.646 -2.750) 8.152 3.489 ( -5.955 10.314 -1.394) 11.991 3.657 ( -7.807 13.522 0.774) 15.633 3.857 ( 1.204 -2.086 0.260) 2.423 3.948 ( 2.854 -4.943 -2.475) 6.221 4.026 ( 4.188 -7.254 4.362) 9.443 4.091 ( 2.860 -4.953 1.729) 5.975 4.163 ( 4.647 -8.050 0.907) 9.339 4.610 ( 1.535 -2.658 -7.677) 8.268 5.128 ( -0.395 0.684 0.578) 0.979 5.144 ( 0.033 -0.056 -1.487) 1.489 6.228 ( 1.558 -2.698 4.583) 5.542 6.450 ( -0.198 0.344 -4.993) 5.009 6.812 ( -1.046 1.811 -4.833) 5.266 6.919 ( 3.364 -5.827 -4.453) 8.068 7.002 ( 2.077 -3.598 -1.287) 4.349 7.362 ( 0.512 -0.886 3.803) 3.939 7.394 ( 2.426 -4.202 6.291) 7.945 7.718 ( -0.125 0.217 8.144) 8.147 7.768 ( -0.432 0.748 4.401) 4.485 7.826 ( 1.800 -3.117 0.776) 3.682 8.437 ( -0.921 1.595 -5.297) 5.608 8.537 ( -4.731 8.195 1.915) 9.655 8.661 ( 0.898 -1.555 1.247) 2.187 8.958 ( 0.013 -0.022 0.170) 0.172 9.331 ( -2.862 4.957 1.676) 5.964 9.373 ( 0.230 -0.398 -1.667) 1.729 9.908 ( -3.831 6.635 0.342) 7.669 9.989 ( -0.094 0.162 -2.876) 2.882 10.233 ( -3.331 5.769 -1.464) 6.820 10.301 ( -1.800 3.117 -3.806) 5.238 10.481 ( -4.102 7.105 -3.062) 8.757 10.493 ( 2.876 -4.981 -2.058) 6.109 10.694 ( 1.296 -2.244 6.039) 6.572 10.804 ( -1.702 2.947 12.623) 13.073 10.831 ( 1.957 -3.389 -3.755) 5.424 10.927 ( -1.155 2.000 4.176) 4.772 11.092 ( 0.511 -0.884 -1.095) 1.497 11.152 ( 7.123 -12.337 -0.456) 14.253 11.238 ( 0.290 -0.503 -7.780) 7.801 11.261 ( 1.776 -3.077 -7.760) 8.535 11.382 ( 2.250 -3.897 -3.297) 5.578 11.985 ( -3.450 5.976 1.888) 7.154 12.039 ( -0.053 0.092 14.943) 14.943 12.096 ( 1.909 -3.306 2.404) 4.511 12.431 ( 2.230 -3.863 -12.188) 12.979 12.768 ( 1.366 -2.365 7.809) 8.272 13.025 ( -2.510 4.347 -4.198) 6.543 13.143 ( -1.515 2.625 -7.431) 8.025 13.161 ( 2.141 -3.708 -6.569) 7.841 13.397 ( -0.343 0.594 -1.396) 1.556 13.469 ( 1.864 -3.228 -2.275) 4.367 13.546 ( -1.652 2.861 6.028) 6.874 13.558 ( -1.232 2.134 7.150) 7.563 13.689 ( 4.266 -7.389 7.332) 11.250 13.817 ( -3.201 5.544 -8.848) 10.921 14.006 ( 0.331 -0.573 -3.040) 3.111 14.247 ( -2.289 3.965 -3.226) 5.601 14.345 ( -1.257 2.177 1.176) 2.775 14.388 ( 0.834 -1.445 -2.747) 3.214 14.400 ( 0.132 -0.229 3.305) 3.315 14.433 ( 0.628 -1.088 1.509) 1.964 14.717 ( -3.152 5.460 -5.902) 8.636 14.725 ( -1.057 1.831 -4.131) 4.641 14.987 ( -0.668 1.157 5.245) 5.413 14.994 ( 1.326 -2.296 0.049) 2.652 15.069 ( 3.726 -6.453 3.226) 8.120 15.310 ( 1.082 -1.874 10.009) 10.240 15.362 ( 0.452 -0.783 -1.690) 1.917 15.821 ( 2.457 -4.256 -7.971) 9.364 15.843 ( 2.928 -5.072 -1.059) 5.951 16.341 ( -5.717 9.902 3.632) 11.997 16.427 ( -2.054 3.557 15.334) 15.874 16.684 ( -2.379 4.121 -4.930) 6.852 16.813 ( 4.045 -7.006 -8.536) 11.760 16.826 ( 3.408 -5.902 -9.981) 12.086 17.273 ( -0.645 1.118 13.890) 13.950 18.395 ( 0.107 -0.186 13.542) 13.543 18.668 ( -1.910 3.308 -14.055) 14.564 18.971 ( -1.168 2.024 0.691) 2.437 18.981 ( -0.744 1.289 1.973) 2.471 20.010 ( -0.176 0.304 -2.235) 2.262 20.013 ( -0.423 0.733 -1.145) 1.424 =================== 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 3/42000 10.0 6794.326 6794.326 6446.760 0.000 -0.000 -0.000 3/42000 20.0 3416.890 3416.890 3015.467 -0.000 -0.000 -0.000 3/42000 30.0 1356.571 1356.571 1203.113 -0.000 -0.000 -0.000 3/42000 40.0 679.208 679.208 603.539 -0.000 -0.000 -0.000 3/42000 50.0 370.768 370.768 328.925 -0.000 -0.000 -0.000 3/42000 60.0 216.210 216.210 190.182 -0.000 -0.000 -0.000 3/42000 70.0 134.690 134.690 117.086 -0.000 -0.000 -0.000 3/42000 80.0 89.293 89.293 76.712 -0.000 -0.000 -0.000 3/42000 90.0 62.574 62.574 53.208 -0.000 -0.000 -0.000 3/42000 100.0 46.000 46.000 38.791 -0.000 -0.000 -0.000 3/42000 110.0 35.218 35.218 29.508 -0.000 -0.000 -0.000 3/42000 120.0 27.900 27.900 23.264 -0.000 -0.000 -0.000 3/42000 130.0 22.747 22.747 18.900 -0.000 -0.000 -0.000 3/42000 140.0 18.997 18.997 15.744 -0.000 -0.000 -0.000 3/42000 150.0 16.189 16.189 13.394 -0.000 -0.000 -0.000 3/42000 160.0 14.035 14.035 11.599 -0.000 -0.000 -0.000 3/42000 170.0 12.345 12.345 10.195 -0.000 -0.000 -0.000 3/42000 180.0 10.994 10.994 9.076 -0.000 -0.000 -0.000 3/42000 190.0 9.895 9.895 8.168 -0.000 -0.000 -0.000 3/42000 200.0 8.987 8.987 7.420 -0.000 -0.000 -0.000 3/42000 210.0 8.227 8.227 6.795 -0.000 -0.000 -0.000 3/42000 220.0 7.584 7.584 6.266 -0.000 -0.000 -0.000 3/42000 230.0 7.033 7.033 5.813 -0.000 -0.000 -0.000 3/42000 240.0 6.557 6.557 5.422 -0.000 -0.000 -0.000 3/42000 250.0 6.142 6.142 5.082 -0.000 -0.000 -0.000 3/42000 260.0 5.777 5.777 4.782 -0.000 -0.000 -0.000 3/42000 270.0 5.453 5.453 4.517 -0.000 -0.000 -0.000 3/42000 280.0 5.165 5.165 4.281 -0.000 -0.000 -0.000 3/42000 290.0 4.907 4.907 4.069 -0.000 -0.000 -0.000 3/42000 300.0 4.674 4.674 3.878 -0.000 -0.000 -0.000 3/42000 310.0 4.464 4.464 3.705 -0.000 -0.000 -0.000 3/42000 320.0 4.272 4.272 3.547 -0.000 -0.000 -0.000 3/42000 330.0 4.096 4.096 3.403 -0.000 -0.000 -0.000 3/42000 340.0 3.935 3.935 3.271 -0.000 -0.000 -0.000 3/42000 350.0 3.787 3.787 3.149 -0.000 -0.000 -0.000 3/42000 360.0 3.650 3.650 3.037 -0.000 -0.000 -0.000 3/42000 370.0 3.524 3.524 2.932 -0.000 -0.000 -0.000 3/42000 380.0 3.406 3.406 2.835 -0.000 -0.000 -0.000 3/42000 390.0 3.296 3.296 2.745 -0.000 -0.000 -0.000 3/42000 400.0 3.193 3.193 2.660 -0.000 -0.000 -0.000 3/42000 410.0 3.097 3.097 2.581 -0.000 -0.000 -0.000 3/42000 420.0 3.007 3.007 2.506 -0.000 -0.000 -0.000 3/42000 430.0 2.922 2.922 2.436 -0.000 -0.000 -0.000 3/42000 440.0 2.842 2.842 2.370 -0.000 -0.000 -0.000 3/42000 450.0 2.766 2.766 2.308 -0.000 -0.000 -0.000 3/42000 460.0 2.695 2.695 2.249 -0.000 -0.000 -0.000 3/42000 470.0 2.627 2.627 2.193 -0.000 -0.000 -0.000 3/42000 480.0 2.563 2.563 2.140 -0.000 -0.000 -0.000 3/42000 490.0 2.502 2.502 2.090 -0.000 -0.000 -0.000 3/42000 500.0 2.444 2.444 2.042 -0.000 -0.000 -0.000 3/42000 510.0 2.389 2.389 1.996 -0.000 -0.000 -0.000 3/42000 520.0 2.336 2.336 1.952 -0.000 -0.000 -0.000 3/42000 530.0 2.286 2.286 1.911 -0.000 -0.000 -0.000 3/42000 540.0 2.238 2.238 1.871 -0.000 -0.000 -0.000 3/42000 550.0 2.192 2.192 1.833 -0.000 -0.000 -0.000 3/42000 560.0 2.148 2.148 1.796 -0.000 -0.000 -0.000 3/42000 570.0 2.106 2.106 1.761 -0.000 -0.000 -0.000 3/42000 580.0 2.065 2.065 1.727 -0.000 -0.000 -0.000 3/42000 590.0 2.026 2.026 1.695 -0.000 -0.000 -0.000 3/42000 600.0 1.988 1.988 1.664 -0.000 -0.000 -0.000 3/42000 610.0 1.952 1.952 1.634 -0.000 -0.000 -0.000 3/42000 620.0 1.918 1.918 1.605 -0.000 -0.000 -0.000 3/42000 630.0 1.884 1.884 1.577 -0.000 -0.000 -0.000 3/42000 640.0 1.852 1.852 1.550 -0.000 -0.000 -0.000 3/42000 650.0 1.821 1.821 1.524 -0.000 -0.000 -0.000 3/42000 660.0 1.791 1.791 1.499 -0.000 -0.000 -0.000 3/42000 670.0 1.762 1.762 1.475 -0.000 -0.000 -0.000 3/42000 680.0 1.733 1.733 1.452 -0.000 -0.000 -0.000 3/42000 690.0 1.706 1.706 1.429 -0.000 -0.000 -0.000 3/42000 700.0 1.680 1.680 1.407 -0.000 -0.000 -0.000 3/42000 710.0 1.654 1.654 1.386 -0.000 -0.000 -0.000 3/42000 720.0 1.630 1.630 1.365 -0.000 -0.000 -0.000 3/42000 730.0 1.606 1.606 1.345 -0.000 -0.000 -0.000 3/42000 740.0 1.582 1.582 1.326 -0.000 -0.000 -0.000 3/42000 750.0 1.560 1.560 1.307 -0.000 -0.000 -0.000 3/42000 760.0 1.538 1.538 1.289 -0.000 -0.000 -0.000 3/42000 770.0 1.517 1.517 1.271 -0.000 -0.000 -0.000 3/42000 780.0 1.496 1.496 1.254 -0.000 -0.000 -0.000 3/42000 790.0 1.476 1.476 1.237 -0.000 -0.000 -0.000 3/42000 800.0 1.456 1.456 1.221 -0.000 -0.000 -0.000 3/42000 810.0 1.437 1.437 1.205 -0.000 -0.000 -0.000 3/42000 820.0 1.419 1.419 1.189 -0.000 -0.000 -0.000 3/42000 830.0 1.400 1.400 1.174 -0.000 -0.000 -0.000 3/42000 840.0 1.383 1.383 1.160 -0.000 -0.000 -0.000 3/42000 850.0 1.366 1.366 1.145 -0.000 -0.000 -0.000 3/42000 860.0 1.349 1.349 1.131 -0.000 -0.000 -0.000 3/42000 870.0 1.333 1.333 1.118 -0.000 -0.000 -0.000 3/42000 880.0 1.317 1.317 1.104 -0.000 -0.000 -0.000 3/42000 890.0 1.301 1.301 1.091 -0.000 -0.000 -0.000 3/42000 900.0 1.286 1.286 1.079 -0.000 -0.000 -0.000 3/42000 910.0 1.271 1.271 1.066 -0.000 -0.000 -0.000 3/42000 920.0 1.257 1.257 1.054 -0.000 -0.000 -0.000 3/42000 930.0 1.243 1.243 1.042 -0.000 -0.000 -0.000 3/42000 940.0 1.229 1.229 1.031 -0.000 -0.000 -0.000 3/42000 950.0 1.215 1.215 1.020 -0.000 -0.000 -0.000 3/42000 960.0 1.202 1.202 1.009 -0.000 -0.000 -0.000 3/42000 970.0 1.189 1.189 0.998 -0.000 -0.000 -0.000 3/42000 980.0 1.177 1.177 0.987 -0.000 -0.000 -0.000 3/42000 990.0 1.164 1.164 0.977 -0.000 -0.000 -0.000 3/42000 1000.0 1.152 1.152 0.967 -0.000 -0.000 -0.000 3/42000 Thermal conductivity related properties were written into "kappa-m10105.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:23:57]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|