----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 03:47:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.696285160288898 0.000000000000000 0.000000000000000 b 0.000000000000000 6.312267030000000 0.000000000000000 c -0.765942979004174 0.000000000000000 8.570689422914802 Atomic positions (fractional): *1 O 0.75028942613698 0.13393734161918 0.09038691829380 15.999 2 O 0.24971057386302 0.63393734161918 0.40961308170620 15.999 3 O 0.24971057386302 0.86606265838082 0.90961308170620 15.999 4 O 0.75028942613698 0.36606265838083 0.59038691829380 15.999 *5 O 0.65949695332242 0.49354527940711 0.18457401946125 15.999 6 O 0.34050304667758 0.99354527940711 0.31542598053875 15.999 7 O 0.34050304667758 0.50645472059289 0.81542598053875 15.999 8 O 0.65949695332242 0.00645472059289 0.68457401946125 15.999 *9 O 0.62364046000225 0.13569994843514 0.37099415457537 15.999 *10 O 0.52354512070528 0.80719148652610 0.92216879171983 15.999 11 O 0.37635953999775 0.86430005156486 0.62900584542463 15.999 12 O 0.62364046000225 0.36430005156486 0.87099415457537 15.999 13 O 0.52354512070528 0.69280851347390 0.42216879171983 15.999 14 O 0.47645487929473 0.19280851347390 0.07783120828017 15.999 15 O 0.47645487929473 0.30719148652610 0.57783120828017 15.999 16 O 0.37635953999775 0.63569994843514 0.12900584542463 15.999 *17 Si 0.62495221329305 0.19103335586594 0.55620131876012 28.085 18 Si 0.37504778670695 0.80896664413406 0.44379868123988 28.085 19 Si 0.37504778670695 0.69103335586594 0.94379868123988 28.085 20 Si 0.62495221329305 0.30896664413406 0.05620131876012 28.085 *21 Te 0.09117875763560 0.28865619608611 0.11745078354359 127.600 22 Te 0.90882124236440 0.78865619608611 0.38254921645641 127.600 23 Te 0.90882124236440 0.71134380391389 0.88254921645641 127.600 24 Te 0.09117875763560 0.21134380391389 0.61745078354359 127.600 *25 Sm 0.15373335123990 0.69533136552633 0.66476504346317 150.360 26 Sm 0.15373335123990 0.80466863447367 0.16476504346317 150.360 27 Sm 0.84626664876010 0.30466863447367 0.33523495653683 150.360 28 Sm 0.84626664876010 0.19533136552633 0.83523495653683 150.360 *29 Sm 0.60660294067906 0.84826464073105 0.19397243973081 150.360 30 Sm 0.39339705932094 0.34826464073105 0.30602756026919 150.360 31 Sm 0.39339705932094 0.15173535926895 0.80602756026919 150.360 32 Sm 0.60660294067906 0.65173535926895 0.69397243973081 150.360 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.696285160288898 0.000000000000000 0.000000000000000 b 0.000000000000000 6.312267030000000 0.000000000000000 c -0.765942979004174 0.000000000000000 8.570689422914802 Atomic positions (fractional): *1 O 0.75028942613698 0.13393734161918 0.09038691829380 15.999 > 1 2 O 0.24971057386302 0.63393734161918 0.40961308170620 15.999 > 2 3 O 0.24971057386302 0.86606265838082 0.90961308170620 15.999 > 3 4 O 0.75028942613698 0.36606265838083 0.59038691829380 15.999 > 4 *5 O 0.65949695332242 0.49354527940711 0.18457401946125 15.999 > 5 6 O 0.34050304667758 0.99354527940711 0.31542598053875 15.999 > 6 7 O 0.34050304667758 0.50645472059289 0.81542598053875 15.999 > 7 8 O 0.65949695332242 0.00645472059289 0.68457401946125 15.999 > 8 *9 O 0.62364046000225 0.13569994843514 0.37099415457537 15.999 > 9 *10 O 0.52354512070528 0.80719148652610 0.92216879171983 15.999 > 10 11 O 0.37635953999775 0.86430005156486 0.62900584542463 15.999 > 11 12 O 0.62364046000225 0.36430005156486 0.87099415457537 15.999 > 12 13 O 0.52354512070528 0.69280851347390 0.42216879171983 15.999 > 13 14 O 0.47645487929473 0.19280851347390 0.07783120828017 15.999 > 14 15 O 0.47645487929473 0.30719148652610 0.57783120828017 15.999 > 15 16 O 0.37635953999775 0.63569994843514 0.12900584542463 15.999 > 16 *17 Si 0.62495221329305 0.19103335586594 0.55620131876012 28.085 > 17 18 Si 0.37504778670695 0.80896664413406 0.44379868123988 28.085 > 18 19 Si 0.37504778670695 0.69103335586594 0.94379868123988 28.085 > 19 20 Si 0.62495221329305 0.30896664413406 0.05620131876012 28.085 > 20 *21 Te 0.09117875763560 0.28865619608611 0.11745078354359 127.600 > 21 22 Te 0.90882124236440 0.78865619608611 0.38254921645641 127.600 > 22 23 Te 0.90882124236440 0.71134380391389 0.88254921645641 127.600 > 23 24 Te 0.09117875763560 0.21134380391389 0.61745078354359 127.600 > 24 *25 Sm 0.15373335123990 0.69533136552633 0.66476504346317 150.360 > 25 26 Sm 0.15373335123990 0.80466863447367 0.16476504346317 150.360 > 26 27 Sm 0.84626664876010 0.30466863447367 0.33523495653683 150.360 > 27 28 Sm 0.84626664876010 0.19533136552633 0.83523495653683 150.360 > 28 *29 Sm 0.60660294067906 0.84826464073105 0.19397243973081 150.360 > 29 30 Sm 0.39339705932094 0.34826464073105 0.30602756026919 150.360 > 30 31 Sm 0.39339705932094 0.15173535926895 0.80602756026919 150.360 > 31 32 Sm 0.60660294067906 0.65173535926895 0.69397243973081 150.360 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.696285160288898 0.000000000000000 0.000000000000000 b 0.000000000000000 12.624534060000000 0.000000000000000 c -1.531885958008348 0.000000000000000 17.141378845829603 Atomic positions (fractional): *1 O 0.75028942613698 0.06696867080959 0.04519345914690 15.999 > 1 2 O 0.75028942613698 0.56696867080959 0.04519345914690 15.999 > 1 3 O 0.75028942613698 0.06696867080959 0.54519345914690 15.999 > 1 4 O 0.75028942613698 0.56696867080959 0.54519345914690 15.999 > 1 5 O 0.24971057386302 0.31696867080959 0.20480654085310 15.999 > 2 6 O 0.24971057386302 0.81696867080959 0.20480654085310 15.999 > 2 7 O 0.24971057386302 0.31696867080959 0.70480654085310 15.999 > 2 8 O 0.24971057386302 0.81696867080959 0.70480654085310 15.999 > 2 9 O 0.24971057386302 0.43303132919041 0.45480654085310 15.999 > 3 10 O 0.24971057386302 0.93303132919041 0.45480654085310 15.999 > 3 11 O 0.24971057386302 0.43303132919041 0.95480654085310 15.999 > 3 12 O 0.24971057386302 0.93303132919041 0.95480654085310 15.999 > 3 13 O 0.75028942613698 0.18303132919041 0.29519345914690 15.999 > 4 14 O 0.75028942613698 0.68303132919041 0.29519345914690 15.999 > 4 15 O 0.75028942613698 0.18303132919041 0.79519345914690 15.999 > 4 16 O 0.75028942613698 0.68303132919041 0.79519345914690 15.999 > 4 *17 O 0.65949695332242 0.24677263970356 0.09228700973062 15.999 > 5 18 O 0.65949695332242 0.74677263970356 0.09228700973062 15.999 > 5 19 O 0.65949695332242 0.24677263970356 0.59228700973062 15.999 > 5 20 O 0.65949695332242 0.74677263970356 0.59228700973062 15.999 > 5 21 O 0.34050304667758 0.49677263970356 0.15771299026937 15.999 > 6 22 O 0.34050304667758 0.99677263970356 0.15771299026937 15.999 > 6 23 O 0.34050304667758 0.49677263970356 0.65771299026938 15.999 > 6 24 O 0.34050304667758 0.99677263970356 0.65771299026938 15.999 > 6 25 O 0.34050304667758 0.25322736029644 0.40771299026938 15.999 > 7 26 O 0.34050304667758 0.75322736029644 0.40771299026938 15.999 > 7 27 O 0.34050304667758 0.25322736029644 0.90771299026938 15.999 > 7 28 O 0.34050304667758 0.75322736029644 0.90771299026938 15.999 > 7 29 O 0.65949695332242 0.00322736029644 0.34228700973062 15.999 > 8 30 O 0.65949695332242 0.50322736029644 0.34228700973062 15.999 > 8 31 O 0.65949695332242 0.00322736029644 0.84228700973062 15.999 > 8 32 O 0.65949695332242 0.50322736029644 0.84228700973062 15.999 > 8 *33 O 0.62364046000225 0.06784997421757 0.18549707728769 15.999 > 9 34 O 0.62364046000225 0.56784997421757 0.18549707728769 15.999 > 9 35 O 0.62364046000225 0.06784997421757 0.68549707728769 15.999 > 9 36 O 0.62364046000225 0.56784997421757 0.68549707728769 15.999 > 9 *37 O 0.52354512070528 0.40359574326305 0.46108439585991 15.999 > 10 38 O 0.52354512070528 0.90359574326305 0.46108439585991 15.999 > 10 39 O 0.52354512070528 0.40359574326305 0.96108439585991 15.999 > 10 40 O 0.52354512070528 0.90359574326305 0.96108439585991 15.999 > 10 41 O 0.37635953999775 0.43215002578243 0.31450292271231 15.999 > 11 42 O 0.37635953999775 0.93215002578243 0.31450292271231 15.999 > 11 43 O 0.37635953999775 0.43215002578243 0.81450292271231 15.999 > 11 44 O 0.37635953999775 0.93215002578243 0.81450292271231 15.999 > 11 45 O 0.62364046000225 0.18215002578243 0.43549707728769 15.999 > 12 46 O 0.62364046000225 0.68215002578243 0.43549707728769 15.999 > 12 47 O 0.62364046000225 0.18215002578243 0.93549707728769 15.999 > 12 48 O 0.62364046000225 0.68215002578243 0.93549707728769 15.999 > 12 49 O 0.52354512070528 0.34640425673695 0.21108439585991 15.999 > 13 50 O 0.52354512070528 0.84640425673695 0.21108439585991 15.999 > 13 51 O 0.52354512070528 0.34640425673695 0.71108439585991 15.999 > 13 52 O 0.52354512070528 0.84640425673695 0.71108439585991 15.999 > 13 53 O 0.47645487929473 0.09640425673695 0.03891560414009 15.999 > 14 54 O 0.47645487929473 0.59640425673695 0.03891560414009 15.999 > 14 55 O 0.47645487929473 0.09640425673695 0.53891560414009 15.999 > 14 56 O 0.47645487929473 0.59640425673695 0.53891560414009 15.999 > 14 57 O 0.47645487929473 0.15359574326305 0.28891560414009 15.999 > 15 58 O 0.47645487929473 0.65359574326305 0.28891560414009 15.999 > 15 59 O 0.47645487929473 0.15359574326305 0.78891560414009 15.999 > 15 60 O 0.47645487929473 0.65359574326305 0.78891560414009 15.999 > 15 61 O 0.37635953999775 0.31784997421757 0.06450292271231 15.999 > 16 62 O 0.37635953999775 0.81784997421757 0.06450292271231 15.999 > 16 63 O 0.37635953999775 0.31784997421757 0.56450292271231 15.999 > 16 64 O 0.37635953999775 0.81784997421757 0.56450292271231 15.999 > 16 *65 Si 0.62495221329305 0.09551667793297 0.27810065938006 28.085 > 17 66 Si 0.62495221329305 0.59551667793297 0.27810065938006 28.085 > 17 67 Si 0.62495221329305 0.09551667793297 0.77810065938006 28.085 > 17 68 Si 0.62495221329305 0.59551667793297 0.77810065938006 28.085 > 17 69 Si 0.37504778670695 0.40448332206703 0.22189934061994 28.085 > 18 70 Si 0.37504778670695 0.90448332206703 0.22189934061994 28.085 > 18 71 Si 0.37504778670695 0.40448332206703 0.72189934061994 28.085 > 18 72 Si 0.37504778670695 0.90448332206703 0.72189934061994 28.085 > 18 73 Si 0.37504778670695 0.34551667793297 0.47189934061994 28.085 > 19 74 Si 0.37504778670695 0.84551667793297 0.47189934061994 28.085 > 19 75 Si 0.37504778670695 0.34551667793297 0.97189934061994 28.085 > 19 76 Si 0.37504778670695 0.84551667793297 0.97189934061994 28.085 > 19 77 Si 0.62495221329305 0.15448332206703 0.02810065938006 28.085 > 20 78 Si 0.62495221329305 0.65448332206703 0.02810065938006 28.085 > 20 79 Si 0.62495221329305 0.15448332206703 0.52810065938006 28.085 > 20 80 Si 0.62495221329305 0.65448332206703 0.52810065938006 28.085 > 20 *81 Te 0.09117875763560 0.14432809804306 0.05872539177180 127.600 > 21 82 Te 0.09117875763560 0.64432809804306 0.05872539177180 127.600 > 21 83 Te 0.09117875763560 0.14432809804306 0.55872539177180 127.600 > 21 84 Te 0.09117875763560 0.64432809804306 0.55872539177180 127.600 > 21 85 Te 0.90882124236440 0.39432809804306 0.19127460822820 127.600 > 22 86 Te 0.90882124236440 0.89432809804306 0.19127460822820 127.600 > 22 87 Te 0.90882124236440 0.39432809804306 0.69127460822820 127.600 > 22 88 Te 0.90882124236440 0.89432809804306 0.69127460822820 127.600 > 22 89 Te 0.90882124236440 0.35567190195694 0.44127460822820 127.600 > 23 90 Te 0.90882124236440 0.85567190195694 0.44127460822820 127.600 > 23 91 Te 0.90882124236440 0.35567190195694 0.94127460822820 127.600 > 23 92 Te 0.90882124236440 0.85567190195694 0.94127460822820 127.600 > 23 93 Te 0.09117875763560 0.10567190195694 0.30872539177180 127.600 > 24 94 Te 0.09117875763560 0.60567190195694 0.30872539177180 127.600 > 24 95 Te 0.09117875763560 0.10567190195694 0.80872539177180 127.600 > 24 96 Te 0.09117875763560 0.60567190195694 0.80872539177180 127.600 > 24 *97 Sm 0.15373335123990 0.34766568276317 0.33238252173159 150.360 > 25 98 Sm 0.15373335123990 0.84766568276317 0.33238252173159 150.360 > 25 99 Sm 0.15373335123990 0.34766568276317 0.83238252173159 150.360 > 25 100 Sm 0.15373335123990 0.84766568276317 0.83238252173159 150.360 > 25 101 Sm 0.15373335123990 0.40233431723683 0.08238252173159 150.360 > 26 102 Sm 0.15373335123990 0.90233431723683 0.08238252173159 150.360 > 26 103 Sm 0.15373335123990 0.40233431723683 0.58238252173159 150.360 > 26 104 Sm 0.15373335123990 0.90233431723683 0.58238252173159 150.360 > 26 105 Sm 0.84626664876010 0.15233431723683 0.16761747826841 150.360 > 27 106 Sm 0.84626664876010 0.65233431723683 0.16761747826841 150.360 > 27 107 Sm 0.84626664876010 0.15233431723683 0.66761747826841 150.360 > 27 108 Sm 0.84626664876010 0.65233431723683 0.66761747826841 150.360 > 27 109 Sm 0.84626664876010 0.09766568276317 0.41761747826841 150.360 > 28 110 Sm 0.84626664876010 0.59766568276317 0.41761747826841 150.360 > 28 111 Sm 0.84626664876010 0.09766568276317 0.91761747826841 150.360 > 28 112 Sm 0.84626664876010 0.59766568276317 0.91761747826841 150.360 > 28 *113 Sm 0.60660294067906 0.42413232036552 0.09698621986540 150.360 > 29 114 Sm 0.60660294067906 0.92413232036552 0.09698621986540 150.360 > 29 115 Sm 0.60660294067906 0.42413232036552 0.59698621986540 150.360 > 29 116 Sm 0.60660294067906 0.92413232036552 0.59698621986540 150.360 > 29 117 Sm 0.39339705932094 0.17413232036552 0.15301378013460 150.360 > 30 118 Sm 0.39339705932094 0.67413232036552 0.15301378013460 150.360 > 30 119 Sm 0.39339705932094 0.17413232036552 0.65301378013460 150.360 > 30 120 Sm 0.39339705932094 0.67413232036552 0.65301378013460 150.360 > 30 121 Sm 0.39339705932094 0.07586767963448 0.40301378013460 150.360 > 31 122 Sm 0.39339705932094 0.57586767963448 0.40301378013460 150.360 > 31 123 Sm 0.39339705932094 0.07586767963448 0.90301378013460 150.360 > 31 124 Sm 0.39339705932094 0.57586767963448 0.90301378013460 150.360 > 31 125 Sm 0.60660294067906 0.32586767963448 0.34698621986540 150.360 > 32 126 Sm 0.60660294067906 0.82586767963448 0.34698621986540 150.360 > 32 127 Sm 0.60660294067906 0.32586767963448 0.84698621986540 150.360 > 32 128 Sm 0.60660294067906 0.82586767963448 0.84698621986540 150.360 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2203497 0.0000000 0.1129643 0.0000000 6.6312297 0.0000000 0.1129657 0.0000000 5.8015185 -------------------------- Born effective charges -------------------------- 1 O -2.3818830 0.0287208 0.1730644 0.0446622 -2.1501220 0.0537119 0.0879333 0.1486361 -2.4537715 2 O -2.3818830 -0.0287208 0.1730644 -0.0446622 -2.1501220 -0.0537119 0.0879333 -0.1486361 -2.4537715 3 O -2.3818830 0.0287208 0.1730644 0.0446622 -2.1501220 0.0537119 0.0879333 0.1486361 -2.4537715 4 O -2.3818830 -0.0287208 0.1730644 -0.0446622 -2.1501220 -0.0537119 0.0879333 -0.1486361 -2.4537715 5 O -2.2845991 0.1654376 -0.3793582 0.0398078 -2.7459653 -0.3723937 -0.4424456 -0.3163259 -1.9461673 6 O -2.2845991 -0.1654376 -0.3793582 -0.0398078 -2.7459653 0.3723937 -0.4424456 0.3163259 -1.9461673 7 O -2.2845991 0.1654376 -0.3793582 0.0398078 -2.7459653 -0.3723937 -0.4424456 -0.3163259 -1.9461673 8 O -2.2845991 -0.1654376 -0.3793582 -0.0398078 -2.7459653 0.3723937 -0.4424456 0.3163259 -1.9461673 9 O -2.6179875 0.0578786 0.0452745 0.0206998 -1.9181683 -0.3435439 0.1211985 -0.3175313 -2.4805237 10 O -2.6246785 -0.1555814 -0.0239571 -0.0965577 -1.7928349 -0.1542029 0.0427238 -0.1576589 -2.4102877 11 O -2.6179875 0.0578786 0.0452745 0.0206998 -1.9181683 -0.3435439 0.1211985 -0.3175313 -2.4805237 12 O -2.6179875 -0.0578786 0.0452745 -0.0206998 -1.9181683 0.3435439 0.1211985 0.3175313 -2.4805237 13 O -2.6246785 0.1555814 -0.0239571 0.0965577 -1.7928349 0.1542029 0.0427238 0.1576589 -2.4102877 14 O -2.6246785 -0.1555814 -0.0239571 -0.0965577 -1.7928349 -0.1542029 0.0427238 -0.1576589 -2.4102877 15 O -2.6246785 0.1555814 -0.0239571 0.0965577 -1.7928349 0.1542029 0.0427238 0.1576589 -2.4102877 16 O -2.6179875 -0.0578786 0.0452745 -0.0206998 -1.9181683 0.3435439 0.1211985 0.3175313 -2.4805237 17 Si 3.5622136 -0.1276694 0.0870507 -0.0466115 2.8918164 -0.0555813 0.0591111 0.0095350 3.4586156 18 Si 3.5622136 -0.1276694 0.0870507 -0.0466115 2.8918164 -0.0555813 0.0591111 0.0095350 3.4586156 19 Si 3.5622136 0.1276694 0.0870507 0.0466115 2.8918164 0.0555813 0.0591111 -0.0095350 3.4586156 20 Si 3.5622136 0.1276694 0.0870507 0.0466115 2.8918164 0.0555813 0.0591111 -0.0095350 3.4586156 21 Te -1.7534495 -0.0755648 -0.1139035 -0.0779776 -2.9643223 -0.0597316 -0.0676700 -0.1085929 -2.0317398 22 Te -1.7534495 0.0755648 -0.1139035 0.0779776 -2.9643223 0.0597316 -0.0676700 0.1085929 -2.0317398 23 Te -1.7534495 -0.0755648 -0.1139035 -0.0779776 -2.9643223 -0.0597316 -0.0676700 -0.1085929 -2.0317398 24 Te -1.7534495 0.0755648 -0.1139035 0.0779776 -2.9643223 0.0597316 -0.0676700 0.1085929 -2.0317398 25 Sm 3.5231323 0.0032459 0.0003544 0.0905548 4.3677492 -0.1137368 0.0652311 -0.1897160 3.8818294 26 Sm 3.5231323 -0.0032459 0.0003544 -0.0905548 4.3677492 0.1137368 0.0652311 0.1897160 3.8818294 27 Sm 3.5231323 0.0032459 0.0003544 0.0905548 4.3677492 -0.1137368 0.0652311 -0.1897160 3.8818294 28 Sm 3.5231323 -0.0032459 0.0003544 -0.0905548 4.3677492 0.1137368 0.0652311 0.1897160 3.8818294 29 Sm 4.5772518 0.2456524 0.2114748 0.0706056 4.3118473 0.1614644 0.1339179 0.0892839 3.9820450 30 Sm 4.5772518 -0.2456524 0.2114748 -0.0706056 4.3118473 -0.1614644 0.1339179 -0.0892839 3.9820450 31 Sm 4.5772518 0.2456524 0.2114748 0.0706056 4.3118473 0.1614644 0.1339179 0.0892839 3.9820450 32 Sm 4.5772518 -0.2456524 0.2114748 -0.0706056 4.3118473 -0.1614644 0.1339179 -0.0892839 3.9820450 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.437 Solver_block: 200 / 960 - Time: 1.276 Solver_block: 300 / 960 - Time: 1.265 Solver_block: 400 / 960 - Time: 1.274 Solver_block: 500 / 960 - Time: 1.265 Solver_block: 600 / 960 - Time: 1.266 Solver_block: 700 / 960 - Time: 1.272 Solver_block: 800 / 960 - Time: 1.276 Solver_block: 900 / 960 - Time: 1.268 Solver_block: 960 / 960 - Time: 0.853 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.766 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 238 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 261), data: True |-- (250, 238), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), 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 03:48:04]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:48:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.696285160288898 0.000000000000000 0.000000000000000 b 0.000000000000000 6.312267030000000 0.000000000000000 c -0.765942979004174 0.000000000000000 8.570689422914802 Atomic positions (fractional): 1 O 0.75028942613698 0.13393734161918 0.09038691829380 15.999 2 O 0.24971057386302 0.63393734161918 0.40961308170620 15.999 3 O 0.24971057386302 0.86606265838082 0.90961308170620 15.999 4 O 0.75028942613698 0.36606265838083 0.59038691829380 15.999 5 O 0.65949695332242 0.49354527940711 0.18457401946125 15.999 6 O 0.34050304667758 0.99354527940711 0.31542598053875 15.999 7 O 0.34050304667758 0.50645472059289 0.81542598053875 15.999 8 O 0.65949695332242 0.00645472059289 0.68457401946125 15.999 9 O 0.62364046000225 0.13569994843514 0.37099415457537 15.999 10 O 0.52354512070528 0.80719148652610 0.92216879171983 15.999 11 O 0.37635953999775 0.86430005156486 0.62900584542463 15.999 12 O 0.62364046000225 0.36430005156486 0.87099415457537 15.999 13 O 0.52354512070528 0.69280851347390 0.42216879171983 15.999 14 O 0.47645487929473 0.19280851347390 0.07783120828017 15.999 15 O 0.47645487929473 0.30719148652610 0.57783120828017 15.999 16 O 0.37635953999775 0.63569994843514 0.12900584542463 15.999 17 Si 0.62495221329305 0.19103335586594 0.55620131876012 28.085 18 Si 0.37504778670695 0.80896664413406 0.44379868123988 28.085 19 Si 0.37504778670695 0.69103335586594 0.94379868123988 28.085 20 Si 0.62495221329305 0.30896664413406 0.05620131876012 28.085 21 Te 0.09117875763560 0.28865619608611 0.11745078354359 127.600 22 Te 0.90882124236440 0.78865619608611 0.38254921645641 127.600 23 Te 0.90882124236440 0.71134380391389 0.88254921645641 127.600 24 Te 0.09117875763560 0.21134380391389 0.61745078354359 127.600 25 Sm 0.15373335123990 0.69533136552633 0.66476504346317 150.360 26 Sm 0.15373335123990 0.80466863447367 0.16476504346317 150.360 27 Sm 0.84626664876010 0.30466863447367 0.33523495653683 150.360 28 Sm 0.84626664876010 0.19533136552633 0.83523495653683 150.360 29 Sm 0.60660294067906 0.84826464073105 0.19397243973081 150.360 30 Sm 0.39339705932094 0.34826464073105 0.30602756026919 150.360 31 Sm 0.39339705932094 0.15173535926895 0.80602756026919 150.360 32 Sm 0.60660294067906 0.65173535926895 0.69397243973081 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.696285160288898 0.000000000000000 0.000000000000000 b 0.000000000000000 12.624534060000000 0.000000000000000 c -1.531885958008348 0.000000000000000 17.141378845829603 Atomic positions (fractional): 1 O 0.75028942613698 0.06696867080959 0.04519345914690 15.999 > 1 2 O 0.75028942613698 0.56696867080959 0.04519345914690 15.999 > 1 3 O 0.75028942613698 0.06696867080959 0.54519345914690 15.999 > 1 4 O 0.75028942613698 0.56696867080959 0.54519345914690 15.999 > 1 5 O 0.24971057386302 0.31696867080959 0.20480654085310 15.999 > 5 6 O 0.24971057386302 0.81696867080959 0.20480654085310 15.999 > 5 7 O 0.24971057386302 0.31696867080959 0.70480654085310 15.999 > 5 8 O 0.24971057386302 0.81696867080959 0.70480654085310 15.999 > 5 9 O 0.24971057386302 0.43303132919041 0.45480654085310 15.999 > 9 10 O 0.24971057386302 0.93303132919041 0.45480654085310 15.999 > 9 11 O 0.24971057386302 0.43303132919041 0.95480654085310 15.999 > 9 12 O 0.24971057386302 0.93303132919041 0.95480654085310 15.999 > 9 13 O 0.75028942613698 0.18303132919041 0.29519345914690 15.999 > 13 14 O 0.75028942613698 0.68303132919041 0.29519345914690 15.999 > 13 15 O 0.75028942613698 0.18303132919041 0.79519345914690 15.999 > 13 16 O 0.75028942613698 0.68303132919041 0.79519345914690 15.999 > 13 17 O 0.65949695332242 0.24677263970356 0.09228700973062 15.999 > 17 18 O 0.65949695332242 0.74677263970356 0.09228700973062 15.999 > 17 19 O 0.65949695332242 0.24677263970356 0.59228700973062 15.999 > 17 20 O 0.65949695332242 0.74677263970356 0.59228700973062 15.999 > 17 21 O 0.34050304667758 0.49677263970356 0.15771299026937 15.999 > 21 22 O 0.34050304667758 0.99677263970356 0.15771299026937 15.999 > 21 23 O 0.34050304667758 0.49677263970356 0.65771299026938 15.999 > 21 24 O 0.34050304667758 0.99677263970356 0.65771299026938 15.999 > 21 25 O 0.34050304667758 0.25322736029644 0.40771299026938 15.999 > 25 26 O 0.34050304667758 0.75322736029644 0.40771299026938 15.999 > 25 27 O 0.34050304667758 0.25322736029644 0.90771299026938 15.999 > 25 28 O 0.34050304667758 0.75322736029644 0.90771299026938 15.999 > 25 29 O 0.65949695332242 0.00322736029644 0.34228700973062 15.999 > 29 30 O 0.65949695332242 0.50322736029644 0.34228700973062 15.999 > 29 31 O 0.65949695332242 0.00322736029644 0.84228700973062 15.999 > 29 32 O 0.65949695332242 0.50322736029644 0.84228700973062 15.999 > 29 33 O 0.62364046000225 0.06784997421757 0.18549707728769 15.999 > 33 34 O 0.62364046000225 0.56784997421757 0.18549707728769 15.999 > 33 35 O 0.62364046000225 0.06784997421757 0.68549707728769 15.999 > 33 36 O 0.62364046000225 0.56784997421757 0.68549707728769 15.999 > 33 37 O 0.52354512070528 0.40359574326305 0.46108439585991 15.999 > 37 38 O 0.52354512070528 0.90359574326305 0.46108439585991 15.999 > 37 39 O 0.52354512070528 0.40359574326305 0.96108439585991 15.999 > 37 40 O 0.52354512070528 0.90359574326305 0.96108439585991 15.999 > 37 41 O 0.37635953999775 0.43215002578243 0.31450292271231 15.999 > 41 42 O 0.37635953999775 0.93215002578243 0.31450292271231 15.999 > 41 43 O 0.37635953999775 0.43215002578243 0.81450292271231 15.999 > 41 44 O 0.37635953999775 0.93215002578243 0.81450292271231 15.999 > 41 45 O 0.62364046000225 0.18215002578243 0.43549707728769 15.999 > 45 46 O 0.62364046000225 0.68215002578243 0.43549707728769 15.999 > 45 47 O 0.62364046000225 0.18215002578243 0.93549707728769 15.999 > 45 48 O 0.62364046000225 0.68215002578243 0.93549707728769 15.999 > 45 49 O 0.52354512070528 0.34640425673695 0.21108439585991 15.999 > 49 50 O 0.52354512070528 0.84640425673695 0.21108439585991 15.999 > 49 51 O 0.52354512070528 0.34640425673695 0.71108439585991 15.999 > 49 52 O 0.52354512070528 0.84640425673695 0.71108439585991 15.999 > 49 53 O 0.47645487929473 0.09640425673695 0.03891560414009 15.999 > 53 54 O 0.47645487929473 0.59640425673695 0.03891560414009 15.999 > 53 55 O 0.47645487929473 0.09640425673695 0.53891560414009 15.999 > 53 56 O 0.47645487929473 0.59640425673695 0.53891560414009 15.999 > 53 57 O 0.47645487929473 0.15359574326305 0.28891560414009 15.999 > 57 58 O 0.47645487929473 0.65359574326305 0.28891560414009 15.999 > 57 59 O 0.47645487929473 0.15359574326305 0.78891560414009 15.999 > 57 60 O 0.47645487929473 0.65359574326305 0.78891560414009 15.999 > 57 61 O 0.37635953999775 0.31784997421757 0.06450292271231 15.999 > 61 62 O 0.37635953999775 0.81784997421757 0.06450292271231 15.999 > 61 63 O 0.37635953999775 0.31784997421757 0.56450292271231 15.999 > 61 64 O 0.37635953999775 0.81784997421757 0.56450292271231 15.999 > 61 65 Si 0.62495221329305 0.09551667793297 0.27810065938006 28.085 > 65 66 Si 0.62495221329305 0.59551667793297 0.27810065938006 28.085 > 65 67 Si 0.62495221329305 0.09551667793297 0.77810065938006 28.085 > 65 68 Si 0.62495221329305 0.59551667793297 0.77810065938006 28.085 > 65 69 Si 0.37504778670695 0.40448332206703 0.22189934061994 28.085 > 69 70 Si 0.37504778670695 0.90448332206703 0.22189934061994 28.085 > 69 71 Si 0.37504778670695 0.40448332206703 0.72189934061994 28.085 > 69 72 Si 0.37504778670695 0.90448332206703 0.72189934061994 28.085 > 69 73 Si 0.37504778670695 0.34551667793297 0.47189934061994 28.085 > 73 74 Si 0.37504778670695 0.84551667793297 0.47189934061994 28.085 > 73 75 Si 0.37504778670695 0.34551667793297 0.97189934061994 28.085 > 73 76 Si 0.37504778670695 0.84551667793297 0.97189934061994 28.085 > 73 77 Si 0.62495221329305 0.15448332206703 0.02810065938006 28.085 > 77 78 Si 0.62495221329305 0.65448332206703 0.02810065938006 28.085 > 77 79 Si 0.62495221329305 0.15448332206703 0.52810065938006 28.085 > 77 80 Si 0.62495221329305 0.65448332206703 0.52810065938006 28.085 > 77 81 Te 0.09117875763560 0.14432809804306 0.05872539177180 127.600 > 81 82 Te 0.09117875763560 0.64432809804306 0.05872539177180 127.600 > 81 83 Te 0.09117875763560 0.14432809804306 0.55872539177180 127.600 > 81 84 Te 0.09117875763560 0.64432809804306 0.55872539177180 127.600 > 81 85 Te 0.90882124236440 0.39432809804306 0.19127460822820 127.600 > 85 86 Te 0.90882124236440 0.89432809804306 0.19127460822820 127.600 > 85 87 Te 0.90882124236440 0.39432809804306 0.69127460822820 127.600 > 85 88 Te 0.90882124236440 0.89432809804306 0.69127460822820 127.600 > 85 89 Te 0.90882124236440 0.35567190195694 0.44127460822820 127.600 > 89 90 Te 0.90882124236440 0.85567190195694 0.44127460822820 127.600 > 89 91 Te 0.90882124236440 0.35567190195694 0.94127460822820 127.600 > 89 92 Te 0.90882124236440 0.85567190195694 0.94127460822820 127.600 > 89 93 Te 0.09117875763560 0.10567190195694 0.30872539177180 127.600 > 93 94 Te 0.09117875763560 0.60567190195694 0.30872539177180 127.600 > 93 95 Te 0.09117875763560 0.10567190195694 0.80872539177180 127.600 > 93 96 Te 0.09117875763560 0.60567190195694 0.80872539177180 127.600 > 93 97 Sm 0.15373335123990 0.34766568276317 0.33238252173159 150.360 > 97 98 Sm 0.15373335123990 0.84766568276317 0.33238252173159 150.360 > 97 99 Sm 0.15373335123990 0.34766568276317 0.83238252173159 150.360 > 97 100 Sm 0.15373335123990 0.84766568276317 0.83238252173159 150.360 > 97 101 Sm 0.15373335123990 0.40233431723683 0.08238252173159 150.360 > 101 102 Sm 0.15373335123990 0.90233431723683 0.08238252173159 150.360 > 101 103 Sm 0.15373335123990 0.40233431723683 0.58238252173159 150.360 > 101 104 Sm 0.15373335123990 0.90233431723683 0.58238252173159 150.360 > 101 105 Sm 0.84626664876010 0.15233431723683 0.16761747826841 150.360 > 105 106 Sm 0.84626664876010 0.65233431723683 0.16761747826841 150.360 > 105 107 Sm 0.84626664876010 0.15233431723683 0.66761747826841 150.360 > 105 108 Sm 0.84626664876010 0.65233431723683 0.66761747826841 150.360 > 105 109 Sm 0.84626664876010 0.09766568276317 0.41761747826841 150.360 > 109 110 Sm 0.84626664876010 0.59766568276317 0.41761747826841 150.360 > 109 111 Sm 0.84626664876010 0.09766568276317 0.91761747826841 150.360 > 109 112 Sm 0.84626664876010 0.59766568276317 0.91761747826841 150.360 > 109 113 Sm 0.60660294067906 0.42413232036552 0.09698621986540 150.360 > 113 114 Sm 0.60660294067906 0.92413232036552 0.09698621986540 150.360 > 113 115 Sm 0.60660294067906 0.42413232036552 0.59698621986540 150.360 > 113 116 Sm 0.60660294067906 0.92413232036552 0.59698621986540 150.360 > 113 117 Sm 0.39339705932094 0.17413232036552 0.15301378013460 150.360 > 117 118 Sm 0.39339705932094 0.67413232036552 0.15301378013460 150.360 > 117 119 Sm 0.39339705932094 0.17413232036552 0.65301378013460 150.360 > 117 120 Sm 0.39339705932094 0.67413232036552 0.65301378013460 150.360 > 117 121 Sm 0.39339705932094 0.07586767963448 0.40301378013460 150.360 > 121 122 Sm 0.39339705932094 0.57586767963448 0.40301378013460 150.360 > 121 123 Sm 0.39339705932094 0.07586767963448 0.90301378013460 150.360 > 121 124 Sm 0.39339705932094 0.57586767963448 0.90301378013460 150.360 > 121 125 Sm 0.60660294067906 0.32586767963448 0.34698621986540 150.360 > 125 126 Sm 0.60660294067906 0.82586767963448 0.34698621986540 150.360 > 125 127 Sm 0.60660294067906 0.32586767963448 0.84698621986540 150.360 > 125 128 Sm 0.60660294067906 0.82586767963448 0.84698621986540 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2203497 0.0000000 0.1129643 0.0000000 6.6312297 0.0000000 0.1129657 0.0000000 5.8015185 -------------------------- Born effective charges -------------------------- 1 O -2.3818830 0.0287208 0.1730644 0.0446622 -2.1501220 0.0537119 0.0879333 0.1486361 -2.4537715 2 O -2.3818830 -0.0287208 0.1730644 -0.0446622 -2.1501220 -0.0537119 0.0879333 -0.1486361 -2.4537715 3 O -2.3818830 0.0287208 0.1730644 0.0446622 -2.1501220 0.0537119 0.0879333 0.1486361 -2.4537715 4 O -2.3818830 -0.0287208 0.1730644 -0.0446622 -2.1501220 -0.0537119 0.0879333 -0.1486361 -2.4537715 5 O -2.2845991 0.1654376 -0.3793582 0.0398078 -2.7459653 -0.3723937 -0.4424456 -0.3163259 -1.9461673 6 O -2.2845991 -0.1654376 -0.3793582 -0.0398078 -2.7459653 0.3723937 -0.4424456 0.3163259 -1.9461673 7 O -2.2845991 0.1654376 -0.3793582 0.0398078 -2.7459653 -0.3723937 -0.4424456 -0.3163259 -1.9461673 8 O -2.2845991 -0.1654376 -0.3793582 -0.0398078 -2.7459653 0.3723937 -0.4424456 0.3163259 -1.9461673 9 O -2.6179875 0.0578786 0.0452745 0.0206998 -1.9181683 -0.3435439 0.1211985 -0.3175313 -2.4805237 10 O -2.6246785 -0.1555814 -0.0239571 -0.0965577 -1.7928349 -0.1542029 0.0427238 -0.1576589 -2.4102877 11 O -2.6179875 0.0578786 0.0452745 0.0206998 -1.9181683 -0.3435439 0.1211985 -0.3175313 -2.4805237 12 O -2.6179875 -0.0578786 0.0452745 -0.0206998 -1.9181683 0.3435439 0.1211985 0.3175313 -2.4805237 13 O -2.6246785 0.1555814 -0.0239571 0.0965577 -1.7928349 0.1542029 0.0427238 0.1576589 -2.4102877 14 O -2.6246785 -0.1555814 -0.0239571 -0.0965577 -1.7928349 -0.1542029 0.0427238 -0.1576589 -2.4102877 15 O -2.6246785 0.1555814 -0.0239571 0.0965577 -1.7928349 0.1542029 0.0427238 0.1576589 -2.4102877 16 O -2.6179875 -0.0578786 0.0452745 -0.0206998 -1.9181683 0.3435439 0.1211985 0.3175313 -2.4805237 17 Si 3.5622136 -0.1276694 0.0870507 -0.0466115 2.8918164 -0.0555813 0.0591111 0.0095350 3.4586156 18 Si 3.5622136 -0.1276694 0.0870507 -0.0466115 2.8918164 -0.0555813 0.0591111 0.0095350 3.4586156 19 Si 3.5622136 0.1276694 0.0870507 0.0466115 2.8918164 0.0555813 0.0591111 -0.0095350 3.4586156 20 Si 3.5622136 0.1276694 0.0870507 0.0466115 2.8918164 0.0555813 0.0591111 -0.0095350 3.4586156 21 Te -1.7534495 -0.0755648 -0.1139035 -0.0779776 -2.9643223 -0.0597316 -0.0676700 -0.1085929 -2.0317398 22 Te -1.7534495 0.0755648 -0.1139035 0.0779776 -2.9643223 0.0597316 -0.0676700 0.1085929 -2.0317398 23 Te -1.7534495 -0.0755648 -0.1139035 -0.0779776 -2.9643223 -0.0597316 -0.0676700 -0.1085929 -2.0317398 24 Te -1.7534495 0.0755648 -0.1139035 0.0779776 -2.9643223 0.0597316 -0.0676700 0.1085929 -2.0317398 25 Sm 3.5231323 0.0032459 0.0003544 0.0905548 4.3677492 -0.1137368 0.0652311 -0.1897160 3.8818294 26 Sm 3.5231323 -0.0032459 0.0003544 -0.0905548 4.3677492 0.1137368 0.0652311 0.1897160 3.8818294 27 Sm 3.5231323 0.0032459 0.0003544 0.0905548 4.3677492 -0.1137368 0.0652311 -0.1897160 3.8818294 28 Sm 3.5231323 -0.0032459 0.0003544 -0.0905548 4.3677492 0.1137368 0.0652311 0.1897160 3.8818294 29 Sm 4.5772518 0.2456524 0.2114748 0.0706056 4.3118473 0.1614644 0.1339179 0.0892839 3.9820450 30 Sm 4.5772518 -0.2456524 0.2114748 -0.0706056 4.3118473 -0.1614644 0.1339179 -0.0892839 3.9820450 31 Sm 4.5772518 0.2456524 0.2114748 0.0706056 4.3118473 0.1614644 0.1339179 0.0892839 3.9820450 32 Sm 4.5772518 -0.2456524 0.2114748 -0.0706056 4.3118473 -0.1614644 0.1339179 -0.0892839 3.9820450 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 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 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0009 0.0000 0.0100] [ 0.0009 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000001 (yx) -0.00000001 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:48:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 03:48:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.696285160288898 0.000000000000000 0.000000000000000 b 0.000000000000000 6.312267030000000 0.000000000000000 c -0.765942979004174 0.000000000000000 8.570689422914802 Atomic positions (fractional): 1 O 0.75028942613698 0.13393734161918 0.09038691829380 15.999 2 O 0.24971057386302 0.63393734161918 0.40961308170620 15.999 3 O 0.24971057386302 0.86606265838082 0.90961308170620 15.999 4 O 0.75028942613698 0.36606265838083 0.59038691829380 15.999 5 O 0.65949695332242 0.49354527940711 0.18457401946125 15.999 6 O 0.34050304667758 0.99354527940711 0.31542598053875 15.999 7 O 0.34050304667758 0.50645472059289 0.81542598053875 15.999 8 O 0.65949695332242 0.00645472059289 0.68457401946125 15.999 9 O 0.62364046000225 0.13569994843514 0.37099415457537 15.999 10 O 0.52354512070528 0.80719148652610 0.92216879171983 15.999 11 O 0.37635953999775 0.86430005156486 0.62900584542463 15.999 12 O 0.62364046000225 0.36430005156486 0.87099415457537 15.999 13 O 0.52354512070528 0.69280851347390 0.42216879171983 15.999 14 O 0.47645487929473 0.19280851347390 0.07783120828017 15.999 15 O 0.47645487929473 0.30719148652610 0.57783120828017 15.999 16 O 0.37635953999775 0.63569994843514 0.12900584542463 15.999 17 Si 0.62495221329305 0.19103335586594 0.55620131876012 28.085 18 Si 0.37504778670695 0.80896664413406 0.44379868123988 28.085 19 Si 0.37504778670695 0.69103335586594 0.94379868123988 28.085 20 Si 0.62495221329305 0.30896664413406 0.05620131876012 28.085 21 Te 0.09117875763560 0.28865619608611 0.11745078354359 127.600 22 Te 0.90882124236440 0.78865619608611 0.38254921645641 127.600 23 Te 0.90882124236440 0.71134380391389 0.88254921645641 127.600 24 Te 0.09117875763560 0.21134380391389 0.61745078354359 127.600 25 Sm 0.15373335123990 0.69533136552633 0.66476504346317 150.360 26 Sm 0.15373335123990 0.80466863447367 0.16476504346317 150.360 27 Sm 0.84626664876010 0.30466863447367 0.33523495653683 150.360 28 Sm 0.84626664876010 0.19533136552633 0.83523495653683 150.360 29 Sm 0.60660294067906 0.84826464073105 0.19397243973081 150.360 30 Sm 0.39339705932094 0.34826464073105 0.30602756026919 150.360 31 Sm 0.39339705932094 0.15173535926895 0.80602756026919 150.360 32 Sm 0.60660294067906 0.65173535926895 0.69397243973081 150.360 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.696285160288898 0.000000000000000 0.000000000000000 b 0.000000000000000 12.624534060000000 0.000000000000000 c -1.531885958008348 0.000000000000000 17.141378845829603 Atomic positions (fractional): 1 O 0.75028942613698 0.06696867080959 0.04519345914690 15.999 > 1 2 O 0.75028942613698 0.56696867080959 0.04519345914690 15.999 > 1 3 O 0.75028942613698 0.06696867080959 0.54519345914690 15.999 > 1 4 O 0.75028942613698 0.56696867080959 0.54519345914690 15.999 > 1 5 O 0.24971057386302 0.31696867080959 0.20480654085310 15.999 > 5 6 O 0.24971057386302 0.81696867080959 0.20480654085310 15.999 > 5 7 O 0.24971057386302 0.31696867080959 0.70480654085310 15.999 > 5 8 O 0.24971057386302 0.81696867080959 0.70480654085310 15.999 > 5 9 O 0.24971057386302 0.43303132919041 0.45480654085310 15.999 > 9 10 O 0.24971057386302 0.93303132919041 0.45480654085310 15.999 > 9 11 O 0.24971057386302 0.43303132919041 0.95480654085310 15.999 > 9 12 O 0.24971057386302 0.93303132919041 0.95480654085310 15.999 > 9 13 O 0.75028942613698 0.18303132919041 0.29519345914690 15.999 > 13 14 O 0.75028942613698 0.68303132919041 0.29519345914690 15.999 > 13 15 O 0.75028942613698 0.18303132919041 0.79519345914690 15.999 > 13 16 O 0.75028942613698 0.68303132919041 0.79519345914690 15.999 > 13 17 O 0.65949695332242 0.24677263970356 0.09228700973062 15.999 > 17 18 O 0.65949695332242 0.74677263970356 0.09228700973062 15.999 > 17 19 O 0.65949695332242 0.24677263970356 0.59228700973062 15.999 > 17 20 O 0.65949695332242 0.74677263970356 0.59228700973062 15.999 > 17 21 O 0.34050304667758 0.49677263970356 0.15771299026937 15.999 > 21 22 O 0.34050304667758 0.99677263970356 0.15771299026937 15.999 > 21 23 O 0.34050304667758 0.49677263970356 0.65771299026938 15.999 > 21 24 O 0.34050304667758 0.99677263970356 0.65771299026938 15.999 > 21 25 O 0.34050304667758 0.25322736029644 0.40771299026938 15.999 > 25 26 O 0.34050304667758 0.75322736029644 0.40771299026938 15.999 > 25 27 O 0.34050304667758 0.25322736029644 0.90771299026938 15.999 > 25 28 O 0.34050304667758 0.75322736029644 0.90771299026938 15.999 > 25 29 O 0.65949695332242 0.00322736029644 0.34228700973062 15.999 > 29 30 O 0.65949695332242 0.50322736029644 0.34228700973062 15.999 > 29 31 O 0.65949695332242 0.00322736029644 0.84228700973062 15.999 > 29 32 O 0.65949695332242 0.50322736029644 0.84228700973062 15.999 > 29 33 O 0.62364046000225 0.06784997421757 0.18549707728769 15.999 > 33 34 O 0.62364046000225 0.56784997421757 0.18549707728769 15.999 > 33 35 O 0.62364046000225 0.06784997421757 0.68549707728769 15.999 > 33 36 O 0.62364046000225 0.56784997421757 0.68549707728769 15.999 > 33 37 O 0.52354512070528 0.40359574326305 0.46108439585991 15.999 > 37 38 O 0.52354512070528 0.90359574326305 0.46108439585991 15.999 > 37 39 O 0.52354512070528 0.40359574326305 0.96108439585991 15.999 > 37 40 O 0.52354512070528 0.90359574326305 0.96108439585991 15.999 > 37 41 O 0.37635953999775 0.43215002578243 0.31450292271231 15.999 > 41 42 O 0.37635953999775 0.93215002578243 0.31450292271231 15.999 > 41 43 O 0.37635953999775 0.43215002578243 0.81450292271231 15.999 > 41 44 O 0.37635953999775 0.93215002578243 0.81450292271231 15.999 > 41 45 O 0.62364046000225 0.18215002578243 0.43549707728769 15.999 > 45 46 O 0.62364046000225 0.68215002578243 0.43549707728769 15.999 > 45 47 O 0.62364046000225 0.18215002578243 0.93549707728769 15.999 > 45 48 O 0.62364046000225 0.68215002578243 0.93549707728769 15.999 > 45 49 O 0.52354512070528 0.34640425673695 0.21108439585991 15.999 > 49 50 O 0.52354512070528 0.84640425673695 0.21108439585991 15.999 > 49 51 O 0.52354512070528 0.34640425673695 0.71108439585991 15.999 > 49 52 O 0.52354512070528 0.84640425673695 0.71108439585991 15.999 > 49 53 O 0.47645487929473 0.09640425673695 0.03891560414009 15.999 > 53 54 O 0.47645487929473 0.59640425673695 0.03891560414009 15.999 > 53 55 O 0.47645487929473 0.09640425673695 0.53891560414009 15.999 > 53 56 O 0.47645487929473 0.59640425673695 0.53891560414009 15.999 > 53 57 O 0.47645487929473 0.15359574326305 0.28891560414009 15.999 > 57 58 O 0.47645487929473 0.65359574326305 0.28891560414009 15.999 > 57 59 O 0.47645487929473 0.15359574326305 0.78891560414009 15.999 > 57 60 O 0.47645487929473 0.65359574326305 0.78891560414009 15.999 > 57 61 O 0.37635953999775 0.31784997421757 0.06450292271231 15.999 > 61 62 O 0.37635953999775 0.81784997421757 0.06450292271231 15.999 > 61 63 O 0.37635953999775 0.31784997421757 0.56450292271231 15.999 > 61 64 O 0.37635953999775 0.81784997421757 0.56450292271231 15.999 > 61 65 Si 0.62495221329305 0.09551667793297 0.27810065938006 28.085 > 65 66 Si 0.62495221329305 0.59551667793297 0.27810065938006 28.085 > 65 67 Si 0.62495221329305 0.09551667793297 0.77810065938006 28.085 > 65 68 Si 0.62495221329305 0.59551667793297 0.77810065938006 28.085 > 65 69 Si 0.37504778670695 0.40448332206703 0.22189934061994 28.085 > 69 70 Si 0.37504778670695 0.90448332206703 0.22189934061994 28.085 > 69 71 Si 0.37504778670695 0.40448332206703 0.72189934061994 28.085 > 69 72 Si 0.37504778670695 0.90448332206703 0.72189934061994 28.085 > 69 73 Si 0.37504778670695 0.34551667793297 0.47189934061994 28.085 > 73 74 Si 0.37504778670695 0.84551667793297 0.47189934061994 28.085 > 73 75 Si 0.37504778670695 0.34551667793297 0.97189934061994 28.085 > 73 76 Si 0.37504778670695 0.84551667793297 0.97189934061994 28.085 > 73 77 Si 0.62495221329305 0.15448332206703 0.02810065938006 28.085 > 77 78 Si 0.62495221329305 0.65448332206703 0.02810065938006 28.085 > 77 79 Si 0.62495221329305 0.15448332206703 0.52810065938006 28.085 > 77 80 Si 0.62495221329305 0.65448332206703 0.52810065938006 28.085 > 77 81 Te 0.09117875763560 0.14432809804306 0.05872539177180 127.600 > 81 82 Te 0.09117875763560 0.64432809804306 0.05872539177180 127.600 > 81 83 Te 0.09117875763560 0.14432809804306 0.55872539177180 127.600 > 81 84 Te 0.09117875763560 0.64432809804306 0.55872539177180 127.600 > 81 85 Te 0.90882124236440 0.39432809804306 0.19127460822820 127.600 > 85 86 Te 0.90882124236440 0.89432809804306 0.19127460822820 127.600 > 85 87 Te 0.90882124236440 0.39432809804306 0.69127460822820 127.600 > 85 88 Te 0.90882124236440 0.89432809804306 0.69127460822820 127.600 > 85 89 Te 0.90882124236440 0.35567190195694 0.44127460822820 127.600 > 89 90 Te 0.90882124236440 0.85567190195694 0.44127460822820 127.600 > 89 91 Te 0.90882124236440 0.35567190195694 0.94127460822820 127.600 > 89 92 Te 0.90882124236440 0.85567190195694 0.94127460822820 127.600 > 89 93 Te 0.09117875763560 0.10567190195694 0.30872539177180 127.600 > 93 94 Te 0.09117875763560 0.60567190195694 0.30872539177180 127.600 > 93 95 Te 0.09117875763560 0.10567190195694 0.80872539177180 127.600 > 93 96 Te 0.09117875763560 0.60567190195694 0.80872539177180 127.600 > 93 97 Sm 0.15373335123990 0.34766568276317 0.33238252173159 150.360 > 97 98 Sm 0.15373335123990 0.84766568276317 0.33238252173159 150.360 > 97 99 Sm 0.15373335123990 0.34766568276317 0.83238252173159 150.360 > 97 100 Sm 0.15373335123990 0.84766568276317 0.83238252173159 150.360 > 97 101 Sm 0.15373335123990 0.40233431723683 0.08238252173159 150.360 > 101 102 Sm 0.15373335123990 0.90233431723683 0.08238252173159 150.360 > 101 103 Sm 0.15373335123990 0.40233431723683 0.58238252173159 150.360 > 101 104 Sm 0.15373335123990 0.90233431723683 0.58238252173159 150.360 > 101 105 Sm 0.84626664876010 0.15233431723683 0.16761747826841 150.360 > 105 106 Sm 0.84626664876010 0.65233431723683 0.16761747826841 150.360 > 105 107 Sm 0.84626664876010 0.15233431723683 0.66761747826841 150.360 > 105 108 Sm 0.84626664876010 0.65233431723683 0.66761747826841 150.360 > 105 109 Sm 0.84626664876010 0.09766568276317 0.41761747826841 150.360 > 109 110 Sm 0.84626664876010 0.59766568276317 0.41761747826841 150.360 > 109 111 Sm 0.84626664876010 0.09766568276317 0.91761747826841 150.360 > 109 112 Sm 0.84626664876010 0.59766568276317 0.91761747826841 150.360 > 109 113 Sm 0.60660294067906 0.42413232036552 0.09698621986540 150.360 > 113 114 Sm 0.60660294067906 0.92413232036552 0.09698621986540 150.360 > 113 115 Sm 0.60660294067906 0.42413232036552 0.59698621986540 150.360 > 113 116 Sm 0.60660294067906 0.92413232036552 0.59698621986540 150.360 > 113 117 Sm 0.39339705932094 0.17413232036552 0.15301378013460 150.360 > 117 118 Sm 0.39339705932094 0.67413232036552 0.15301378013460 150.360 > 117 119 Sm 0.39339705932094 0.17413232036552 0.65301378013460 150.360 > 117 120 Sm 0.39339705932094 0.67413232036552 0.65301378013460 150.360 > 117 121 Sm 0.39339705932094 0.07586767963448 0.40301378013460 150.360 > 121 122 Sm 0.39339705932094 0.57586767963448 0.40301378013460 150.360 > 121 123 Sm 0.39339705932094 0.07586767963448 0.90301378013460 150.360 > 121 124 Sm 0.39339705932094 0.57586767963448 0.90301378013460 150.360 > 121 125 Sm 0.60660294067906 0.32586767963448 0.34698621986540 150.360 > 125 126 Sm 0.60660294067906 0.82586767963448 0.34698621986540 150.360 > 125 127 Sm 0.60660294067906 0.32586767963448 0.84698621986540 150.360 > 125 128 Sm 0.60660294067906 0.82586767963448 0.84698621986540 150.360 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2203497 0.0000000 0.1129643 0.0000000 6.6312297 0.0000000 0.1129657 0.0000000 5.8015185 -------------------------- Born effective charges -------------------------- 1 O -2.3818830 0.0287208 0.1730644 0.0446622 -2.1501220 0.0537119 0.0879333 0.1486361 -2.4537715 2 O -2.3818830 -0.0287208 0.1730644 -0.0446622 -2.1501220 -0.0537119 0.0879333 -0.1486361 -2.4537715 3 O -2.3818830 0.0287208 0.1730644 0.0446622 -2.1501220 0.0537119 0.0879333 0.1486361 -2.4537715 4 O -2.3818830 -0.0287208 0.1730644 -0.0446622 -2.1501220 -0.0537119 0.0879333 -0.1486361 -2.4537715 5 O -2.2845991 0.1654376 -0.3793582 0.0398078 -2.7459653 -0.3723937 -0.4424456 -0.3163259 -1.9461673 6 O -2.2845991 -0.1654376 -0.3793582 -0.0398078 -2.7459653 0.3723937 -0.4424456 0.3163259 -1.9461673 7 O -2.2845991 0.1654376 -0.3793582 0.0398078 -2.7459653 -0.3723937 -0.4424456 -0.3163259 -1.9461673 8 O -2.2845991 -0.1654376 -0.3793582 -0.0398078 -2.7459653 0.3723937 -0.4424456 0.3163259 -1.9461673 9 O -2.6179875 0.0578786 0.0452745 0.0206998 -1.9181683 -0.3435439 0.1211985 -0.3175313 -2.4805237 10 O -2.6246785 -0.1555814 -0.0239571 -0.0965577 -1.7928349 -0.1542029 0.0427238 -0.1576589 -2.4102877 11 O -2.6179875 0.0578786 0.0452745 0.0206998 -1.9181683 -0.3435439 0.1211985 -0.3175313 -2.4805237 12 O -2.6179875 -0.0578786 0.0452745 -0.0206998 -1.9181683 0.3435439 0.1211985 0.3175313 -2.4805237 13 O -2.6246785 0.1555814 -0.0239571 0.0965577 -1.7928349 0.1542029 0.0427238 0.1576589 -2.4102877 14 O -2.6246785 -0.1555814 -0.0239571 -0.0965577 -1.7928349 -0.1542029 0.0427238 -0.1576589 -2.4102877 15 O -2.6246785 0.1555814 -0.0239571 0.0965577 -1.7928349 0.1542029 0.0427238 0.1576589 -2.4102877 16 O -2.6179875 -0.0578786 0.0452745 -0.0206998 -1.9181683 0.3435439 0.1211985 0.3175313 -2.4805237 17 Si 3.5622136 -0.1276694 0.0870507 -0.0466115 2.8918164 -0.0555813 0.0591111 0.0095350 3.4586156 18 Si 3.5622136 -0.1276694 0.0870507 -0.0466115 2.8918164 -0.0555813 0.0591111 0.0095350 3.4586156 19 Si 3.5622136 0.1276694 0.0870507 0.0466115 2.8918164 0.0555813 0.0591111 -0.0095350 3.4586156 20 Si 3.5622136 0.1276694 0.0870507 0.0466115 2.8918164 0.0555813 0.0591111 -0.0095350 3.4586156 21 Te -1.7534495 -0.0755648 -0.1139035 -0.0779776 -2.9643223 -0.0597316 -0.0676700 -0.1085929 -2.0317398 22 Te -1.7534495 0.0755648 -0.1139035 0.0779776 -2.9643223 0.0597316 -0.0676700 0.1085929 -2.0317398 23 Te -1.7534495 -0.0755648 -0.1139035 -0.0779776 -2.9643223 -0.0597316 -0.0676700 -0.1085929 -2.0317398 24 Te -1.7534495 0.0755648 -0.1139035 0.0779776 -2.9643223 0.0597316 -0.0676700 0.1085929 -2.0317398 25 Sm 3.5231323 0.0032459 0.0003544 0.0905548 4.3677492 -0.1137368 0.0652311 -0.1897160 3.8818294 26 Sm 3.5231323 -0.0032459 0.0003544 -0.0905548 4.3677492 0.1137368 0.0652311 0.1897160 3.8818294 27 Sm 3.5231323 0.0032459 0.0003544 0.0905548 4.3677492 -0.1137368 0.0652311 -0.1897160 3.8818294 28 Sm 3.5231323 -0.0032459 0.0003544 -0.0905548 4.3677492 0.1137368 0.0652311 0.1897160 3.8818294 29 Sm 4.5772518 0.2456524 0.2114748 0.0706056 4.3118473 0.1614644 0.1339179 0.0892839 3.9820450 30 Sm 4.5772518 -0.2456524 0.2114748 -0.0706056 4.3118473 -0.1614644 0.1339179 -0.0892839 3.9820450 31 Sm 4.5772518 0.2456524 0.2114748 0.0706056 4.3118473 0.1614644 0.1339179 0.0892839 3.9820450 32 Sm 4.5772518 -0.2456524 0.2114748 -0.0706056 4.3118473 -0.1614644 0.1339179 -0.0892839 3.9820450 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (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 ... [ 5 8 6 ] 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: 0.51, Number of G-points: 297, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.592 ( 0.000 0.000 0.000) 0.000 1.665 ( 0.000 0.000 0.000) 0.000 1.821 ( 0.000 0.000 0.000) 0.000 1.824 ( 0.000 0.000 0.000) 0.000 1.952 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.033 ( 0.000 0.000 0.000) 0.000 2.086 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.870 ( 0.000 0.000 0.000) 0.000 3.027 ( 0.000 0.000 0.000) 0.000 3.114 ( 0.000 0.000 0.000) 0.000 3.136 ( 0.000 0.000 0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.210 ( 0.000 0.000 0.000) 0.000 3.339 ( 0.000 0.000 0.000) 0.000 3.379 ( 0.000 0.000 0.000) 0.000 3.428 ( 0.000 0.000 0.000) 0.000 3.461 ( 0.000 0.000 0.000) 0.000 3.504 ( 0.000 0.000 0.000) 0.000 3.626 ( 0.000 0.000 0.000) 0.000 3.701 ( 0.000 0.000 0.000) 0.000 3.788 ( 0.000 0.000 0.000) 0.000 3.857 ( 0.000 0.000 0.000) 0.000 3.910 ( 0.000 0.000 0.000) 0.000 3.933 ( 0.000 0.000 0.000) 0.000 4.055 ( 0.000 0.000 0.000) 0.000 4.231 ( 0.000 0.000 0.000) 0.000 4.571 ( 0.000 0.000 0.000) 0.000 4.788 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.269 ( 0.000 0.000 0.000) 0.000 5.374 ( 0.000 0.000 0.000) 0.000 5.456 ( 0.000 0.000 0.000) 0.000 5.969 ( 0.000 0.000 0.000) 0.000 6.362 ( 0.000 0.000 0.000) 0.000 6.432 ( 0.000 0.000 0.000) 0.000 6.716 ( 0.000 0.000 0.000) 0.000 6.806 ( 0.000 0.000 0.000) 0.000 7.031 ( 0.000 0.000 0.000) 0.000 7.290 ( 0.000 0.000 0.000) 0.000 7.330 ( 0.000 0.000 0.000) 0.000 7.414 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.723 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 8.158 ( 0.000 0.000 0.000) 0.000 8.318 ( 0.000 0.000 0.000) 0.000 8.329 ( 0.000 0.000 0.000) 0.000 8.456 ( 0.000 0.000 0.000) 0.000 9.187 ( 0.000 0.000 0.000) 0.000 9.383 ( 0.000 0.000 0.000) 0.000 9.482 ( 0.000 0.000 0.000) 0.000 9.827 ( 0.000 0.000 0.000) 0.000 10.319 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 11.138 ( 0.000 0.000 0.000) 0.000 12.201 ( 0.000 0.000 0.000) 0.000 12.614 ( 0.000 0.000 0.000) 0.000 12.790 ( 0.000 0.000 0.000) 0.000 12.962 ( 0.000 0.000 0.000) 0.000 13.076 ( 0.000 0.000 0.000) 0.000 13.545 ( 0.000 0.000 0.000) 0.000 14.076 ( 0.000 0.000 0.000) 0.000 14.231 ( 0.000 0.000 0.000) 0.000 14.392 ( 0.000 0.000 0.000) 0.000 14.492 ( 0.000 0.000 0.000) 0.000 14.741 ( 0.000 0.000 0.000) 0.000 15.236 ( 0.000 0.000 0.000) 0.000 15.547 ( 0.000 0.000 0.000) 0.000 15.917 ( 0.000 0.000 0.000) 0.000 16.244 ( 0.000 0.000 0.000) 0.000 16.429 ( 0.000 0.000 0.000) 0.000 17.182 ( 0.000 0.000 0.000) 0.000 24.651 ( 0.000 0.000 0.000) 0.000 24.726 ( 0.000 0.000 0.000) 0.000 24.759 ( 0.000 0.000 0.000) 0.000 24.813 ( 0.000 0.000 0.000) 0.000 26.177 ( 0.000 0.000 0.000) 0.000 26.300 ( 0.000 0.000 0.000) 0.000 26.385 ( 0.000 0.000 0.000) 0.000 26.486 ( 0.000 0.000 0.000) 0.000 26.912 ( 0.000 0.000 0.000) 0.000 26.971 ( 0.000 0.000 0.000) 0.000 27.275 ( 0.000 0.000 0.000) 0.000 27.465 ( 0.000 0.000 0.000) 0.000 28.683 ( 0.000 0.000 0.000) 0.000 29.007 ( 0.000 0.000 0.000) 0.000 29.332 ( 0.000 0.000 0.000) 0.000 29.904 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.449 ( 20.972 0.000 2.561) 21.128 0.455 ( 21.973 0.000 -6.485) 22.910 0.841 ( 38.040 0.000 16.482) 41.457 1.637 ( -2.459 0.000 4.427) 5.064 1.673 ( -7.666 0.000 5.644) 9.520 1.752 ( -0.580 0.000 -1.635) 1.735 1.818 ( 0.041 0.000 2.923) 2.923 1.903 ( -2.656 0.000 -3.785) 4.624 2.020 ( -4.508 0.000 0.945) 4.605 2.028 ( 2.143 0.000 -2.372) 3.197 2.137 ( -9.879 0.000 5.919) 11.516 2.216 ( 3.806 0.000 -6.794) 7.787 2.496 ( 2.349 0.000 -1.240) 2.656 2.656 ( 0.783 0.000 -0.313) 0.843 2.898 ( 2.842 0.000 -7.249) 7.786 2.991 ( -5.733 0.000 1.936) 6.052 3.047 ( -5.689 0.000 -1.608) 5.912 3.074 ( -0.953 0.000 -0.311) 1.003 3.149 ( -0.872 0.000 7.406) 7.457 3.160 ( 1.129 0.000 1.495) 1.873 3.322 ( -14.511 0.000 -0.015) 14.511 3.324 ( 0.944 0.000 -5.432) 5.513 3.394 ( 1.173 0.000 -3.058) 3.275 3.406 ( -2.651 0.000 -3.185) 4.143 3.430 ( 6.280 0.000 -2.953) 6.940 3.591 ( -6.322 0.000 -5.621) 8.459 3.614 ( 6.269 0.000 0.266) 6.274 3.663 ( -2.703 0.000 2.735) 3.845 3.745 ( -0.571 0.000 -0.794) 0.978 3.822 ( 2.035 0.000 2.173) 2.977 3.925 ( -0.676 0.000 -0.625) 0.921 4.019 ( -1.250 0.000 -1.176) 1.716 4.242 ( 0.960 0.000 0.766) 1.228 4.354 ( 13.646 0.000 8.383) 16.015 4.658 ( 0.002 0.000 -4.232) 4.232 4.966 ( 1.930 0.000 -14.374) 14.503 5.166 ( -2.004 0.000 0.231) 2.017 5.277 ( 0.739 0.000 0.259) 0.783 5.376 ( 0.094 0.000 0.366) 0.378 5.456 ( -0.042 0.000 -0.160) 0.165 5.974 ( -0.407 0.000 -2.285) 2.321 6.364 ( 0.281 0.000 -0.592) 0.655 6.423 ( -0.662 0.000 -0.746) 0.997 6.811 ( 0.410 0.000 0.077) 0.417 7.037 ( 0.420 0.000 1.102) 1.179 7.297 ( 0.728 0.000 -1.400) 1.578 7.341 ( 0.513 0.000 6.038) 6.060 7.398 ( -1.596 0.000 1.214) 2.005 7.438 ( 0.180 0.000 -4.378) 4.381 7.724 ( 0.169 0.000 -0.342) 0.381 7.769 ( 2.447 0.000 2.255) 3.327 8.146 ( -0.851 0.000 -1.151) 1.432 8.292 ( 2.651 0.000 -25.826) 25.962 8.315 ( -0.262 0.000 -0.269) 0.376 8.463 ( 0.559 0.000 0.283) 0.627 8.538 ( -5.566 0.000 36.193) 36.619 9.180 ( -0.551 0.000 -0.983) 1.127 9.372 ( -0.847 0.000 -1.101) 1.389 9.482 ( -0.142 0.000 1.710) 1.716 9.828 ( 0.134 0.000 -0.659) 0.672 10.313 ( -0.428 0.000 -0.319) 0.534 10.668 ( 0.248 0.000 0.732) 0.773 11.142 ( 0.277 0.000 0.184) 0.332 12.215 ( -0.018 0.000 -0.382) 0.383 12.612 ( -0.189 0.000 -0.225) 0.294 12.796 ( 0.486 0.000 0.161) 0.512 12.998 ( -0.228 0.000 0.471) 0.523 13.093 ( 1.359 0.000 0.456) 1.433 13.653 ( -0.769 0.000 2.613) 2.723 14.097 ( 1.883 0.000 1.543) 2.434 14.359 ( -2.766 0.000 -3.102) 4.156 14.509 ( 1.267 0.000 1.482) 1.950 14.741 ( -0.062 0.000 0.431) 0.435 14.935 ( 3.209 0.000 -44.568) 44.683 15.232 ( -0.308 0.000 -0.062) 0.314 15.548 ( 0.117 0.000 -0.283) 0.306 16.220 ( -3.497 0.000 36.683) 36.850 16.248 ( -0.067 0.000 3.581) 3.582 16.429 ( -0.071 0.000 0.783) 0.787 17.179 ( -0.182 0.000 -0.266) 0.322 24.645 ( -0.503 0.000 -0.029) 0.504 24.727 ( 0.050 0.000 0.426) 0.429 24.756 ( -0.167 0.000 -0.412) 0.444 24.818 ( 0.439 0.000 0.072) 0.445 26.299 ( -0.118 0.000 0.504) 0.518 26.394 ( 0.819 0.000 -0.736) 1.101 26.435 ( -1.242 0.000 10.139) 10.215 26.490 ( 0.187 0.000 1.143) 1.158 26.916 ( 0.370 0.000 0.232) 0.436 26.972 ( 0.070 0.000 0.047) 0.084 27.464 ( -0.033 0.000 -0.009) 0.034 28.009 ( 4.442 0.000 -52.046) 52.235 28.684 ( 0.037 0.000 -0.009) 0.038 29.337 ( 0.433 0.000 -0.126) 0.451 29.365 ( -3.319 0.000 35.814) 35.967 29.897 ( -0.588 0.000 0.232) 0.632 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.847 ( 15.321 0.000 1.692) 15.414 0.849 ( 15.152 0.000 -5.232) 16.030 1.409 ( -12.531 0.000 -0.845) 12.560 1.437 ( -9.287 0.000 9.973) 13.628 1.581 ( 22.867 0.000 9.311) 24.690 1.841 ( -0.289 0.000 -3.394) 3.406 1.879 ( 2.883 0.000 1.638) 3.315 1.885 ( 5.383 0.000 1.043) 5.483 1.965 ( 0.202 0.000 1.692) 1.704 1.975 ( -5.151 0.000 4.732) 6.995 2.084 ( 2.526 0.000 -1.896) 3.158 2.260 ( 2.976 0.000 -5.019) 5.835 2.432 ( -5.440 0.000 -3.946) 6.721 2.584 ( -24.218 0.000 -4.941) 24.717 2.697 ( 2.129 0.000 0.857) 2.295 2.979 ( -1.223 0.000 -0.331) 1.267 3.039 ( 6.761 0.000 -5.545) 8.744 3.079 ( 0.581 0.000 0.596) 0.833 3.101 ( -3.070 0.000 2.709) 4.095 3.144 ( -3.028 0.000 4.214) 5.189 3.175 ( 0.151 0.000 0.924) 0.936 3.302 ( -0.947 0.000 -1.867) 2.093 3.386 ( -2.489 0.000 0.995) 2.680 3.462 ( -2.753 0.000 -4.588) 5.351 3.467 ( 5.286 0.000 -5.474) 7.610 3.535 ( 2.953 0.000 -1.264) 3.212 3.586 ( -4.229 0.000 4.416) 6.114 3.735 ( 3.791 0.000 -1.701) 4.155 3.753 ( 0.449 0.000 0.499) 0.671 3.855 ( 0.380 0.000 3.067) 3.091 3.907 ( -0.566 0.000 -1.235) 1.359 3.993 ( -0.831 0.000 -0.438) 0.939 4.265 ( 0.823 0.000 0.407) 0.918 4.553 ( 3.993 0.000 0.532) 4.029 4.667 ( 1.197 0.000 3.173) 3.391 4.972 ( 0.402 0.000 -5.258) 5.274 5.126 ( -1.365 0.000 0.286) 1.395 5.293 ( 0.541 0.000 0.219) 0.584 5.378 ( 0.048 0.000 0.145) 0.153 5.455 ( -0.027 0.000 -0.086) 0.090 5.962 ( -0.344 0.000 -0.569) 0.665 6.370 ( 0.270 0.000 -0.425) 0.504 6.408 ( -0.496 0.000 -0.392) 0.632 6.819 ( 0.224 0.000 0.042) 0.228 7.047 ( 0.255 0.000 0.676) 0.723 7.313 ( 1.027 0.000 -1.906) 2.166 7.364 ( -1.581 0.000 1.784) 2.383 7.370 ( 0.837 0.000 6.728) 6.780 7.424 ( -0.347 0.000 -7.061) 7.070 7.727 ( 0.099 0.000 -0.215) 0.236 7.824 ( 1.837 0.000 1.200) 2.194 8.129 ( -0.415 0.000 -0.688) 0.804 8.298 ( 0.878 0.000 -6.874) 6.930 8.308 ( -0.348 0.000 -0.029) 0.349 8.475 ( 0.379 0.000 0.178) 0.419 8.490 ( -2.533 0.000 9.689) 10.014 9.167 ( -0.357 0.000 -0.623) 0.718 9.353 ( -0.565 0.000 -0.539) 0.781 9.483 ( -0.057 0.000 0.931) 0.933 9.830 ( 0.055 0.000 -0.098) 0.112 10.305 ( -0.258 0.000 -0.193) 0.322 10.674 ( 0.153 0.000 0.442) 0.468 11.148 ( 0.169 0.000 0.113) 0.204 12.214 ( -0.021 0.000 -0.089) 0.092 12.607 ( -0.120 0.000 -0.143) 0.187 12.806 ( 0.322 0.000 0.097) 0.337 12.995 ( -0.128 0.000 0.145) 0.193 13.119 ( 0.789 0.000 0.286) 0.839 13.643 ( -0.357 0.000 0.492) 0.608 14.155 ( 2.887 0.000 2.533) 3.841 14.281 ( -3.407 0.000 -3.481) 4.871 14.537 ( 0.812 0.000 1.020) 1.303 14.741 ( -0.036 0.000 0.252) 0.254 14.919 ( 0.454 0.000 -11.027) 11.036 15.226 ( -0.192 0.000 -0.035) 0.195 15.550 ( 0.071 0.000 -0.174) 0.188 16.217 ( -0.832 0.000 8.130) 8.173 16.252 ( -0.001 0.000 1.428) 1.428 16.429 ( -0.051 0.000 0.480) 0.482 17.175 ( -0.110 0.000 -0.165) 0.198 24.636 ( -0.282 0.000 -0.039) 0.284 24.729 ( 0.062 0.000 0.342) 0.348 24.752 ( -0.134 0.000 -0.334) 0.360 24.826 ( 0.245 0.000 0.039) 0.248 26.298 ( -0.043 0.000 0.263) 0.267 26.408 ( 0.474 0.000 -0.406) 0.624 26.429 ( -0.360 0.000 2.112) 2.143 26.495 ( 0.094 0.000 0.538) 0.546 26.924 ( 0.230 0.000 0.145) 0.272 26.973 ( 0.045 0.000 0.029) 0.053 27.463 ( -0.021 0.000 -0.005) 0.021 28.005 ( 0.973 0.000 -12.361) 12.399 28.684 ( 0.023 0.000 -0.005) 0.023 29.345 ( 0.278 0.000 -0.082) 0.290 29.363 ( -0.830 0.000 8.463) 8.504 29.886 ( -0.373 0.000 0.148) 0.402 ======================= Grid point 5 (4/80) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.451 ( 0.000 21.742 0.000) 21.742 0.527 ( 0.000 25.790 0.000) 25.790 1.025 ( 0.000 47.491 0.000) 47.491 1.695 ( 0.000 3.224 0.000) 3.224 1.744 ( 0.000 5.784 0.000) 5.784 1.822 ( 0.000 -0.402 0.000) 0.402 1.830 ( 0.000 2.887 0.000) 2.887 1.992 ( 0.000 2.365 0.000) 2.365 2.007 ( 0.000 0.443 0.000) 0.443 2.089 ( 0.000 3.810 0.000) 3.810 2.140 ( 0.000 5.487 0.000) 5.487 2.326 ( 0.000 5.414 0.000) 5.414 2.447 ( 0.000 1.762 0.000) 1.762 2.638 ( 0.000 -2.880 0.000) 2.880 2.865 ( 0.000 -0.018 0.000) 0.018 2.886 ( 0.000 1.263 0.000) 1.263 3.007 ( 0.000 -0.743 0.000) 0.743 3.113 ( 0.000 0.851 0.000) 0.851 3.118 ( 0.000 -1.226 0.000) 1.226 3.189 ( 0.000 -2.056 0.000) 2.056 3.268 ( 0.000 2.818 0.000) 2.818 3.304 ( 0.000 -1.416 0.000) 1.416 3.440 ( 0.000 2.208 0.000) 2.208 3.483 ( 0.000 -0.513 0.000) 0.513 3.552 ( 0.000 0.056 0.000) 0.056 3.575 ( 0.000 6.107 0.000) 6.107 3.687 ( 0.000 0.434 0.000) 0.434 3.782 ( 0.000 -2.445 0.000) 2.445 3.815 ( 0.000 -2.215 0.000) 2.215 3.859 ( 0.000 4.961 0.000) 4.961 3.986 ( 0.000 -0.973 0.000) 0.973 4.022 ( 0.000 4.853 0.000) 4.853 4.198 ( 0.000 7.977 0.000) 7.977 4.324 ( 0.000 5.206 0.000) 5.206 4.556 ( 0.000 -1.487 0.000) 1.487 4.780 ( 0.000 -0.217 0.000) 0.217 5.232 ( 0.000 -2.811 0.000) 2.811 5.257 ( 0.000 6.093 0.000) 6.093 5.413 ( 0.000 -3.192 0.000) 3.192 5.511 ( 0.000 2.290 0.000) 2.290 6.061 ( 0.000 7.696 0.000) 7.696 6.447 ( 0.000 1.608 0.000) 1.608 6.493 ( 0.000 -6.970 0.000) 6.970 6.670 ( 0.000 -3.501 0.000) 3.501 6.714 ( 0.000 -3.724 0.000) 3.724 7.073 ( 0.000 -0.792 0.000) 0.792 7.289 ( 0.000 -7.699 0.000) 7.699 7.332 ( 0.000 -0.139 0.000) 0.139 7.524 ( 0.000 3.838 0.000) 3.838 7.757 ( 0.000 2.085 0.000) 2.085 7.791 ( 0.000 5.647 0.000) 5.647 8.105 ( 0.000 -3.862 0.000) 3.862 8.241 ( 0.000 -4.129 0.000) 4.129 8.267 ( 0.000 -5.390 0.000) 5.390 8.487 ( 0.000 2.400 0.000) 2.400 8.510 ( 0.000 3.818 0.000) 3.818 9.238 ( 0.000 4.308 0.000) 4.308 9.363 ( 0.000 -1.940 0.000) 1.940 9.474 ( 0.000 -1.486 0.000) 1.486 9.829 ( 0.000 -0.282 0.000) 0.282 10.301 ( 0.000 -1.652 0.000) 1.652 10.663 ( 0.000 -8.924 0.000) 8.924 11.236 ( 0.000 8.063 0.000) 8.063 12.137 ( 0.000 -5.659 0.000) 5.659 12.578 ( 0.000 -3.369 0.000) 3.369 12.877 ( 0.000 -7.969 0.000) 7.969 13.141 ( 0.000 5.621 0.000) 5.621 13.371 ( 0.000 4.836 0.000) 4.836 13.585 ( 0.000 4.077 0.000) 4.077 14.113 ( 0.000 -1.441 0.000) 1.441 14.226 ( 0.000 -0.534 0.000) 0.534 14.317 ( 0.000 -13.253 0.000) 13.253 14.405 ( 0.000 1.240 0.000) 1.240 14.834 ( 0.000 4.908 0.000) 4.908 15.226 ( 0.000 -0.917 0.000) 0.917 15.533 ( 0.000 -1.522 0.000) 1.522 15.940 ( 0.000 2.173 0.000) 2.173 16.229 ( 0.000 -1.377 0.000) 1.377 16.476 ( 0.000 2.984 0.000) 2.984 17.166 ( 0.000 -1.720 0.000) 1.720 24.644 ( 0.000 -0.504 0.000) 0.504 24.740 ( 0.000 -1.992 0.000) 1.992 24.778 ( 0.000 1.692 0.000) 1.692 24.837 ( 0.000 1.616 0.000) 1.616 26.163 ( 0.000 -1.063 0.000) 1.063 26.319 ( 0.000 1.557 0.000) 1.557 26.454 ( 0.000 -2.027 0.000) 2.027 26.469 ( 0.000 -1.359 0.000) 1.359 26.862 ( 0.000 -3.719 0.000) 3.719 27.142 ( 0.000 -8.626 0.000) 8.626 27.616 ( 0.000 10.435 0.000) 10.435 27.740 ( 0.000 8.550 0.000) 8.550 28.701 ( 0.000 1.780 0.000) 1.780 29.058 ( 0.000 4.870 0.000) 4.870 29.302 ( 0.000 -2.944 0.000) 2.944 29.945 ( 0.000 -4.299 0.000) 4.299 ======================= Grid point 6 (5/80) ======================= q-point: ( 0.20 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 12.156 16.294 0.265) 20.331 0.755 ( 17.835 17.355 2.625) 25.024 1.251 ( 18.347 32.801 7.145) 38.256 1.639 ( -3.041 3.086 0.319) 4.344 1.707 ( -4.331 -1.977 2.320) 5.296 1.799 ( -7.982 6.057 0.642) 10.040 1.852 ( 2.101 4.437 5.433) 7.322 1.973 ( -0.997 2.844 -1.431) 3.336 2.002 ( 0.474 2.309 -2.647) 3.544 2.057 ( -2.527 4.031 2.838) 5.540 2.167 ( -5.167 2.795 3.723) 6.956 2.187 ( 1.010 -0.812 -4.691) 4.866 2.524 ( 1.284 1.604 -1.775) 2.716 2.650 ( 1.826 1.464 1.247) 2.652 2.854 ( 1.521 -3.807 -2.866) 5.002 2.955 ( 0.062 -1.981 -0.144) 1.987 3.019 ( 1.086 -1.229 0.255) 1.660 3.074 ( -3.502 0.409 -0.037) 3.526 3.124 ( 1.777 0.196 -0.063) 1.789 3.166 ( 0.477 0.550 0.795) 1.078 3.303 ( -0.990 -1.231 -0.297) 1.607 3.372 ( 0.771 1.288 -1.670) 2.245 3.405 ( -2.941 3.281 -3.416) 5.575 3.449 ( 0.075 0.910 -4.723) 4.810 3.504 ( -5.484 2.217 0.286) 5.922 3.581 ( -2.256 5.376 -4.263) 7.222 3.627 ( -1.970 -0.061 -1.502) 2.478 3.705 ( 2.164 4.818 1.997) 5.647 3.760 ( -1.763 -1.389 0.987) 2.452 3.860 ( -3.878 1.669 -3.475) 5.468 3.987 ( -0.710 5.519 2.888) 6.269 4.073 ( -2.603 5.462 -0.230) 6.055 4.263 ( 13.977 -4.853 4.257) 15.396 4.288 ( 0.099 4.586 1.317) 4.772 4.634 ( 0.547 -2.118 -4.497) 5.001 4.851 ( 5.266 -3.985 -2.977) 7.244 5.191 ( -2.028 -2.373 0.967) 3.268 5.249 ( -1.506 6.493 -1.883) 6.926 5.407 ( -0.619 -3.761 1.901) 4.259 5.523 ( 1.249 5.037 -0.989) 5.283 6.071 ( 0.392 8.113 -1.150) 8.204 6.379 ( -2.363 -1.365 -1.099) 2.943 6.442 ( -0.481 1.897 -0.547) 2.033 6.712 ( 0.313 -4.607 -0.686) 4.669 6.925 ( 6.028 -13.047 4.843) 15.166 7.142 ( 4.303 -0.156 -1.044) 4.430 7.265 ( -1.469 -7.228 -2.448) 7.771 7.405 ( 3.385 -8.210 5.730) 10.569 7.560 ( 4.212 5.346 2.351) 7.200 7.771 ( -0.175 7.117 -5.180) 8.804 7.788 ( 1.768 2.897 -0.205) 3.400 8.133 ( 2.306 -2.636 -6.283) 7.194 8.247 ( 0.585 -5.014 -1.265) 5.204 8.277 ( 0.385 -5.632 3.962) 6.897 8.440 ( -3.867 3.034 0.778) 4.977 8.517 ( -0.442 1.178 8.931) 9.019 9.231 ( -0.458 4.374 -1.357) 4.603 9.355 ( -0.853 -1.807 0.150) 2.004 9.465 ( -0.534 -1.656 0.952) 1.983 9.829 ( 0.064 -0.352 -0.433) 0.561 10.304 ( 0.097 -1.248 -0.593) 1.385 10.636 ( -1.401 -5.793 0.774) 6.010 11.213 ( -0.919 7.561 -0.377) 7.626 12.141 ( 0.257 -6.015 0.036) 6.021 12.576 ( -0.159 -3.278 -0.178) 3.286 12.878 ( 0.214 -7.150 0.051) 7.153 13.060 ( -9.449 14.825 -0.143) 17.581 13.160 ( 0.708 5.752 0.826) 5.854 13.675 ( 0.816 2.689 1.833) 3.355 14.087 ( 1.447 -1.106 1.217) 2.190 14.313 ( 0.760 -14.366 -0.187) 14.387 14.369 ( -2.570 0.625 -3.123) 4.092 14.654 ( 16.591 -16.351 -16.989) 28.831 14.840 ( 0.479 5.026 0.763) 5.106 15.226 ( -0.112 -0.903 0.339) 0.971 15.533 ( -0.037 -1.632 0.453) 1.694 16.049 ( 5.121 -5.450 18.608) 20.055 16.225 ( -0.163 -1.670 -2.240) 2.799 16.468 ( -0.685 3.136 1.107) 3.395 17.163 ( -0.151 -1.711 -0.456) 1.777 24.639 ( -0.373 -0.388 -0.060) 0.541 24.724 ( -0.726 -0.909 0.350) 1.215 24.774 ( -0.276 1.601 -0.368) 1.666 24.835 ( 0.053 1.407 0.049) 1.409 26.235 ( 3.300 -5.184 2.190) 6.524 26.329 ( 0.984 -0.013 0.593) 1.149 26.448 ( -1.222 -1.949 -0.363) 2.328 26.462 ( 0.194 -0.955 1.497) 1.786 26.807 ( -2.217 -2.355 0.066) 3.235 27.241 ( 5.049 -2.406 3.424) 6.558 27.483 ( -5.441 12.596 0.938) 13.753 27.898 ( 7.822 -2.434 -25.405) 26.693 28.701 ( 0.025 1.740 -0.220) 1.754 29.185 ( 5.607 -3.861 15.770) 17.177 29.313 ( 1.037 -3.011 0.858) 3.298 29.904 ( -2.762 -2.523 -0.110) 3.742 ======================= Grid point 7 (6/80) ======================= q-point: ( 0.40 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.906 ( 13.677 7.806 -0.519) 15.756 1.117 ( 15.258 16.704 -2.704) 22.785 1.373 ( -10.330 2.280 7.644) 13.052 1.519 ( -13.157 6.042 -0.929) 14.508 1.679 ( 5.220 2.385 5.805) 8.163 1.769 ( 2.048 0.276 -2.595) 3.318 1.907 ( 6.175 5.627 1.836) 8.553 1.939 ( 1.303 2.551 4.401) 5.251 2.017 ( -3.212 3.321 4.219) 6.257 2.031 ( 2.700 -2.944 -0.708) 4.057 2.136 ( 0.437 11.961 -2.035) 12.140 2.250 ( 6.249 2.333 -1.934) 6.945 2.469 ( -3.783 2.354 -1.480) 4.695 2.588 ( -10.879 2.925 -3.742) 11.870 2.873 ( 1.270 7.605 -0.172) 7.712 2.944 ( -0.342 -1.499 -3.610) 3.924 3.050 ( 0.821 -0.836 0.638) 1.334 3.061 ( 2.545 -0.369 -0.049) 2.572 3.130 ( -6.396 5.111 -0.218) 8.190 3.151 ( -0.312 2.323 1.686) 2.887 3.170 ( -1.642 -0.393 2.006) 2.622 3.267 ( -1.234 -1.738 -0.529) 2.196 3.407 ( -4.017 1.157 -1.372) 4.400 3.463 ( 2.136 -2.883 -1.209) 3.786 3.509 ( 3.952 0.271 -3.522) 5.301 3.546 ( 0.762 6.197 -3.744) 7.280 3.630 ( -4.525 4.694 3.866) 7.581 3.689 ( 2.817 -2.286 -2.220) 4.253 3.755 ( -2.127 0.072 1.339) 2.515 3.840 ( 1.452 0.913 -1.597) 2.344 3.981 ( -0.081 7.089 0.979) 7.157 4.065 ( 0.231 3.268 0.632) 3.337 4.300 ( 0.518 3.784 0.700) 3.883 4.487 ( 6.838 -8.061 2.032) 10.764 4.600 ( -2.593 -1.855 -0.940) 3.324 4.931 ( 2.423 -2.755 -1.629) 4.014 5.163 ( -0.799 -4.213 1.136) 4.436 5.207 ( -1.554 6.777 -1.253) 7.065 5.401 ( -0.150 -3.391 0.849) 3.499 5.545 ( 0.719 6.463 -0.456) 6.518 6.072 ( -0.004 9.096 -0.407) 9.106 6.358 ( -0.209 -2.386 -0.359) 2.422 6.431 ( -0.328 2.296 -0.203) 2.329 6.717 ( 0.177 -4.702 -0.379) 4.721 6.988 ( 1.046 -10.132 1.370) 10.278 7.193 ( 1.148 2.556 0.519) 2.850 7.233 ( -1.003 -7.590 -1.590) 7.819 7.436 ( 0.110 -6.735 1.394) 6.878 7.654 ( 2.557 -0.041 3.432) 4.280 7.751 ( -0.363 14.301 -4.803) 15.090 7.834 ( 1.701 1.081 0.467) 2.069 8.166 ( 1.727 1.715 -4.125) 4.789 8.254 ( 0.281 -4.778 -0.709) 4.839 8.292 ( 0.787 -2.707 0.486) 2.861 8.352 ( -4.278 -3.833 4.736) 7.445 8.524 ( 0.032 1.609 2.064) 2.617 9.220 ( -0.278 4.530 -0.894) 4.626 9.337 ( -0.625 -1.701 0.036) 1.813 9.460 ( -0.137 -2.108 0.706) 2.227 9.829 ( 0.017 -0.458 -0.145) 0.481 10.301 ( -0.157 -0.533 -0.342) 0.653 10.623 ( -0.219 -5.245 0.488) 5.272 11.205 ( -0.054 6.099 -0.081) 6.100 12.145 ( 0.083 -6.007 0.022) 6.008 12.573 ( -0.081 -3.179 -0.129) 3.182 12.888 ( 0.537 -8.003 -0.034) 8.021 12.956 ( -2.160 11.992 0.211) 12.186 13.180 ( 0.649 4.971 0.266) 5.020 13.678 ( -0.179 3.587 0.425) 3.616 14.138 ( 2.402 -1.767 1.881) 3.525 14.298 ( -2.841 1.430 -2.582) 4.097 14.326 ( 0.404 -14.967 -0.078) 14.973 14.806 ( 2.998 -9.626 -6.095) 11.782 14.851 ( 0.371 5.205 -0.321) 5.228 15.223 ( -0.130 -0.683 0.052) 0.697 15.533 ( 0.028 -1.783 0.123) 1.788 16.143 ( 1.447 -5.051 9.631) 10.971 16.215 ( -0.178 -2.689 -3.228) 4.205 16.459 ( -0.284 2.922 0.531) 2.983 17.160 ( -0.105 -1.694 -0.240) 1.714 24.633 ( -0.211 -0.199 -0.036) 0.292 24.718 ( -0.056 -1.013 0.265) 1.048 24.768 ( -0.196 1.458 -0.249) 1.492 24.838 ( 0.113 0.973 0.028) 0.980 26.272 ( 0.544 -2.697 0.576) 2.811 26.355 ( 0.971 -3.750 0.574) 3.916 26.424 ( -0.839 -0.894 -0.076) 1.229 26.469 ( 0.198 -1.403 0.384) 1.468 26.785 ( -0.328 -2.846 -0.112) 2.867 27.328 ( 2.882 9.833 4.191) 11.071 27.401 ( -2.820 3.314 -3.004) 5.287 27.955 ( 1.747 -2.222 -8.942) 9.378 28.701 ( 0.024 1.695 -0.073) 1.697 29.263 ( 0.916 -4.046 3.981) 5.750 29.343 ( 0.937 -2.752 2.168) 3.627 29.861 ( -1.099 -2.762 -0.172) 2.978 ======================= Grid point 10 (7/80) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.848 ( 0.000 18.221 0.000) 18.221 1.003 ( 0.000 21.752 0.000) 21.752 1.678 ( 0.000 6.835 0.000) 6.835 1.739 ( 0.000 3.116 0.000) 3.116 1.791 ( 0.000 1.706 0.000) 1.706 1.841 ( 0.000 3.485 0.000) 3.485 2.015 ( 0.000 11.014 0.000) 11.014 2.047 ( 0.000 10.046 0.000) 10.046 2.145 ( 0.000 11.454 0.000) 11.454 2.165 ( 0.000 4.504 0.000) 4.504 2.266 ( 0.000 7.221 0.000) 7.221 2.486 ( 0.000 9.613 0.000) 9.613 2.488 ( 0.000 2.640 0.000) 2.640 2.617 ( 0.000 1.098 0.000) 1.098 2.866 ( 0.000 0.209 0.000) 0.209 2.901 ( 0.000 -0.059 0.000) 0.059 3.020 ( 0.000 2.685 0.000) 2.685 3.118 ( 0.000 -0.755 0.000) 0.755 3.140 ( 0.000 -0.432 0.000) 0.432 3.152 ( 0.000 2.936 0.000) 2.936 3.273 ( 0.000 -2.249 0.000) 2.249 3.277 ( 0.000 -1.713 0.000) 1.713 3.466 ( 0.000 -1.080 0.000) 1.080 3.500 ( 0.000 3.089 0.000) 3.089 3.552 ( 0.000 -0.405 0.000) 0.405 3.625 ( 0.000 -0.023 0.000) 0.023 3.638 ( 0.000 -2.256 0.000) 2.256 3.672 ( 0.000 -4.419 0.000) 4.419 3.885 ( 0.000 -2.332 0.000) 2.332 3.922 ( 0.000 8.267 0.000) 8.267 4.081 ( 0.000 0.167 0.000) 0.167 4.146 ( 0.000 11.485 0.000) 11.485 4.370 ( 0.000 9.394 0.000) 9.394 4.487 ( 0.000 12.448 0.000) 12.448 4.534 ( 0.000 0.400 0.000) 0.400 4.800 ( 0.000 2.221 0.000) 2.221 5.176 ( 0.000 -2.953 0.000) 2.953 5.314 ( 0.000 -2.691 0.000) 2.691 5.438 ( 0.000 7.032 0.000) 7.032 5.517 ( 0.000 -2.315 0.000) 2.315 6.215 ( 0.000 7.016 0.000) 7.016 6.347 ( 0.000 -5.383 0.000) 5.383 6.505 ( 0.000 4.544 0.000) 4.544 6.619 ( 0.000 -1.244 0.000) 1.244 6.694 ( 0.000 0.519 0.000) 0.519 6.978 ( 0.000 -7.358 0.000) 7.358 7.140 ( 0.000 -6.890 0.000) 6.890 7.281 ( 0.000 -5.416 0.000) 5.416 7.574 ( 0.000 1.069 0.000) 1.069 7.786 ( 0.000 -0.905 0.000) 0.905 7.907 ( 0.000 5.718 0.000) 5.718 8.074 ( 0.000 0.629 0.000) 0.629 8.148 ( 0.000 -5.898 0.000) 5.898 8.202 ( 0.000 1.820 0.000) 1.820 8.515 ( 0.000 -3.717 0.000) 3.717 8.536 ( 0.000 2.325 0.000) 2.325 9.313 ( 0.000 -2.906 0.000) 2.906 9.317 ( 0.000 2.524 0.000) 2.524 9.443 ( 0.000 -0.947 0.000) 0.947 9.792 ( 0.000 -3.742 0.000) 3.742 10.266 ( 0.000 -1.550 0.000) 1.550 10.482 ( 0.000 -8.428 0.000) 8.428 11.420 ( 0.000 10.186 0.000) 10.186 12.019 ( 0.000 -5.455 0.000) 5.455 12.494 ( 0.000 -4.728 0.000) 4.728 12.680 ( 0.000 -11.002 0.000) 11.002 13.263 ( 0.000 6.196 0.000) 6.196 13.496 ( 0.000 7.217 0.000) 7.217 13.700 ( 0.000 7.037 0.000) 7.037 14.028 ( 0.000 -11.040 0.000) 11.040 14.096 ( 0.000 -3.853 0.000) 3.853 14.204 ( 0.000 -1.959 0.000) 1.959 14.442 ( 0.000 2.780 0.000) 2.780 14.877 ( 0.000 -0.816 0.000) 0.816 15.210 ( 0.000 -0.382 0.000) 0.382 15.483 ( 0.000 -3.578 0.000) 3.578 15.996 ( 0.000 3.322 0.000) 3.322 16.198 ( 0.000 -1.572 0.000) 1.572 16.563 ( 0.000 5.686 0.000) 5.686 17.108 ( 0.000 -4.141 0.000) 4.141 24.637 ( 0.000 -0.090 0.000) 0.090 24.702 ( 0.000 -1.698 0.000) 1.698 24.816 ( 0.000 1.944 0.000) 1.944 24.864 ( 0.000 1.013 0.000) 1.013 26.148 ( 0.000 -0.246 0.000) 0.246 26.352 ( 0.000 1.640 0.000) 1.640 26.381 ( 0.000 -4.882 0.000) 4.882 26.446 ( 0.000 -1.077 0.000) 1.077 26.807 ( 0.000 -1.539 0.000) 1.539 26.990 ( 0.000 -6.472 0.000) 6.472 27.818 ( 0.000 9.546 0.000) 9.546 27.923 ( 0.000 8.782 0.000) 8.782 28.754 ( 0.000 3.617 0.000) 3.617 29.186 ( 0.000 7.721 0.000) 7.721 29.219 ( 0.000 -5.297 0.000) 5.297 29.829 ( 0.000 -7.113 0.000) 7.113 ======================= Grid point 11 (8/80) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.938 ( 5.962 14.642 2.495) 16.005 1.102 ( 10.011 17.006 3.184) 19.989 1.628 ( -8.246 2.034 -0.048) 8.493 1.710 ( -1.237 2.173 -3.657) 4.430 1.786 ( 4.944 3.496 0.525) 6.078 1.866 ( -2.656 6.097 -0.645) 6.681 1.961 ( -1.294 3.454 5.387) 6.529 2.061 ( -0.310 11.223 3.009) 11.623 2.133 ( -10.069 9.225 1.342) 13.722 2.161 ( -3.975 5.029 3.726) 7.414 2.217 ( 3.200 5.054 -4.732) 7.627 2.363 ( 2.916 15.872 3.709) 16.559 2.539 ( -0.026 0.737 -1.104) 1.327 2.717 ( 2.794 2.717 2.217) 4.484 2.821 ( -1.498 0.593 -1.057) 1.927 2.928 ( 0.720 -1.260 -0.924) 1.720 3.004 ( -0.097 0.938 -1.648) 1.898 3.066 ( -1.756 -1.110 -0.610) 2.166 3.145 ( 0.916 1.712 0.956) 2.164 3.193 ( 1.848 2.382 -2.341) 3.817 3.275 ( -0.835 -1.797 -0.318) 2.007 3.327 ( 2.754 -4.187 -0.632) 5.051 3.451 ( 1.508 -0.260 -6.652) 6.826 3.469 ( -2.557 3.096 -0.988) 4.135 3.527 ( -3.089 -0.209 2.330) 3.875 3.612 ( -1.288 0.065 -1.812) 2.224 3.688 ( 3.485 0.755 -1.833) 4.009 3.736 ( 5.236 -0.260 2.157) 5.669 3.827 ( -3.518 9.963 -4.831) 11.618 3.966 ( -0.360 -0.147 2.220) 2.253 4.041 ( -0.366 5.390 0.960) 5.487 4.204 ( -3.059 2.483 0.180) 3.944 4.272 ( 1.390 10.098 -0.679) 10.216 4.438 ( -0.911 10.753 3.178) 11.250 4.601 ( 1.070 -0.062 -4.925) 5.040 4.830 ( 2.651 0.753 1.069) 2.957 5.136 ( -2.764 -3.389 1.601) 4.657 5.330 ( -1.252 -3.812 3.367) 5.238 5.423 ( 0.858 9.217 -1.488) 9.376 5.557 ( 2.548 -0.974 -1.317) 3.030 6.231 ( 1.141 6.914 0.092) 7.008 6.318 ( -1.574 -2.675 -0.630) 3.167 6.504 ( -0.091 4.721 0.016) 4.722 6.675 ( 1.094 -0.632 0.561) 1.382 6.740 ( 4.992 -5.214 2.780) 7.735 7.017 ( 3.767 -10.138 -3.047) 11.237 7.121 ( -1.288 -7.221 -1.289) 7.448 7.266 ( -1.663 -5.992 2.816) 6.826 7.621 ( 3.476 0.928 0.971) 3.727 7.806 ( 1.537 -0.934 -1.395) 2.275 7.935 ( 3.024 6.465 -3.738) 8.057 8.091 ( 1.268 -1.003 4.650) 4.923 8.150 ( 0.257 -5.982 -0.220) 5.992 8.197 ( -0.476 1.980 -0.013) 2.036 8.477 ( -3.290 -1.929 0.576) 3.857 8.547 ( 0.647 1.841 1.146) 2.263 9.300 ( -0.201 -1.378 -6.102) 6.259 9.319 ( -0.677 1.311 5.231) 5.435 9.430 ( -1.039 -1.175 0.466) 1.636 9.792 ( -0.063 -3.832 -0.360) 3.850 10.274 ( 0.679 -1.420 -0.438) 1.634 10.485 ( 0.217 -7.838 0.588) 7.863 11.400 ( -1.413 10.608 -0.264) 10.705 12.020 ( 0.059 -5.558 0.096) 5.560 12.494 ( -0.017 -4.659 -0.268) 4.667 12.680 ( -0.052 -11.149 0.004) 11.149 13.269 ( 0.497 6.124 -0.280) 6.150 13.362 ( -7.477 13.364 1.156) 15.357 13.763 ( 2.134 5.635 0.602) 6.056 14.032 ( -0.226 -12.862 0.592) 12.878 14.054 ( 0.323 -2.096 0.678) 2.227 14.333 ( 3.289 -5.813 -3.399) 7.495 14.479 ( 6.519 -0.730 -4.049) 7.709 14.884 ( 0.380 -0.871 1.577) 1.841 15.208 ( -0.183 -0.473 0.431) 0.665 15.481 ( -0.235 -3.638 0.587) 3.692 16.028 ( 2.283 1.554 4.947) 5.666 16.191 ( -0.572 -1.588 -1.556) 2.296 16.556 ( -0.633 5.733 0.624) 5.801 17.106 ( -0.149 -4.154 -0.422) 4.178 24.635 ( -0.176 0.023 -0.012) 0.178 24.699 ( -0.290 -1.381 0.323) 1.448 24.811 ( -0.404 1.897 -0.287) 1.960 24.860 ( -0.270 0.964 0.014) 1.001 26.171 ( 1.831 -1.613 1.027) 2.648 26.322 ( -1.865 -1.805 -1.348) 2.924 26.398 ( 0.900 -1.599 0.116) 1.838 26.446 ( -0.056 -0.885 1.268) 1.547 26.784 ( -1.256 -0.228 0.199) 1.292 27.059 ( 4.862 -9.466 -0.412) 10.650 27.788 ( -2.479 13.427 6.620) 15.175 27.952 ( 2.814 5.595 -11.746) 13.311 28.753 ( -0.008 3.622 -0.393) 3.643 29.214 ( 0.919 1.312 1.917) 2.498 29.236 ( 2.189 -1.233 3.083) 3.977 29.808 ( -1.669 -6.481 -0.421) 6.705 ======================= Grid point 12 (9/80) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.077 ( 6.571 7.434 0.875) 9.961 1.353 ( 9.755 6.806 5.420) 13.071 1.444 ( -6.465 5.191 -3.678) 9.070 1.634 ( -5.808 4.055 -1.571) 7.256 1.765 ( -3.891 6.858 1.052) 7.954 1.850 ( -1.637 3.487 -0.411) 3.874 1.960 ( -3.039 2.073 0.790) 3.763 2.001 ( 1.989 4.356 4.817) 6.792 2.025 ( -2.016 4.038 -1.961) 4.921 2.135 ( 1.173 6.122 4.464) 7.667 2.311 ( 6.702 10.843 -2.475) 12.985 2.484 ( 0.665 12.800 1.051) 12.860 2.499 ( 0.433 1.288 2.636) 2.965 2.650 ( -6.649 2.148 -3.443) 7.790 2.829 ( 1.487 -2.222 -0.999) 2.854 2.951 ( 1.071 -4.848 0.510) 4.991 3.043 ( 3.732 0.117 -0.383) 3.753 3.095 ( 3.932 3.187 -1.543) 5.291 3.169 ( 0.843 2.333 0.909) 2.642 3.197 ( -0.678 0.561 -1.717) 1.929 3.238 ( -1.759 -0.681 1.338) 2.313 3.308 ( -6.067 5.705 0.389) 8.337 3.391 ( -2.425 -0.404 -1.705) 2.992 3.446 ( -2.714 2.182 0.196) 3.488 3.525 ( 4.560 0.134 -3.563) 5.789 3.589 ( -0.815 1.331 0.248) 1.580 3.750 ( 0.296 6.045 1.494) 6.234 3.756 ( -1.135 9.433 -3.634) 10.172 3.803 ( 1.564 2.889 0.017) 3.286 3.949 ( -0.008 6.759 -1.731) 6.977 4.070 ( 1.371 1.792 3.315) 4.010 4.115 ( -2.175 2.946 -1.567) 3.983 4.363 ( 2.889 -0.206 0.545) 2.947 4.438 ( 0.253 9.521 1.834) 9.699 4.582 ( -1.062 -0.400 -1.762) 2.096 4.888 ( 2.023 -1.541 0.046) 2.544 5.089 ( -1.683 -4.097 1.017) 4.544 5.291 ( -1.622 -1.414 1.186) 2.457 5.451 ( 1.004 9.787 -0.348) 9.845 5.594 ( 1.005 -0.810 -0.593) 1.421 6.249 ( 0.521 7.461 0.030) 7.479 6.297 ( -0.438 -1.940 -0.181) 1.997 6.502 ( -0.058 5.164 0.127) 5.166 6.683 ( 0.169 0.197 -0.610) 0.663 6.817 ( 1.561 -6.841 1.884) 7.266 7.063 ( -0.050 -9.306 -0.278) 9.310 7.131 ( 3.190 -13.439 -3.891) 14.350 7.226 ( -2.524 -5.165 3.135) 6.548 7.677 ( 1.364 0.989 0.693) 1.822 7.831 ( 0.848 -1.370 -0.547) 1.702 7.991 ( 2.046 7.899 -3.347) 8.820 8.139 ( 1.649 -5.450 5.743) 8.088 8.157 ( 0.658 -5.384 -2.005) 5.783 8.187 ( -0.293 2.249 -0.451) 2.312 8.401 ( -3.200 1.121 0.637) 3.450 8.561 ( 0.391 1.985 0.495) 2.083 9.289 ( 0.065 -2.240 -3.694) 4.321 9.310 ( -0.724 2.907 3.133) 4.335 9.413 ( -0.460 -1.897 0.338) 1.981 9.789 ( -0.063 -3.983 -0.195) 3.989 10.284 ( 0.283 -0.932 -0.298) 1.019 10.491 ( 0.154 -7.062 0.377) 7.074 11.377 ( -0.611 10.584 -0.116) 10.602 12.021 ( 0.030 -5.720 0.059) 5.720 12.493 ( -0.006 -4.553 -0.169) 4.556 12.678 ( -0.050 -11.351 0.005) 11.351 13.255 ( -1.909 15.611 -0.121) 15.728 13.286 ( -0.079 5.854 0.564) 5.882 13.778 ( -0.017 6.020 0.132) 6.022 14.030 ( 0.012 -13.720 0.082) 13.721 14.090 ( 1.636 -3.052 1.304) 3.701 14.318 ( -1.443 -0.537 -1.993) 2.518 14.611 ( 4.109 -7.980 -2.963) 9.452 14.893 ( 0.188 -1.061 1.073) 1.521 15.205 ( -0.119 -0.591 0.241) 0.650 15.478 ( -0.115 -3.803 0.345) 3.820 16.085 ( 1.727 -0.754 4.135) 4.545 16.171 ( -0.791 -1.531 -2.175) 2.775 16.545 ( -0.368 5.748 0.361) 5.771 17.103 ( -0.099 -4.163 -0.247) 4.172 24.632 ( -0.087 0.215 -0.002) 0.233 24.695 ( -0.073 -1.174 0.219) 1.197 24.802 ( -0.273 1.821 -0.190) 1.851 24.856 ( -0.093 0.734 0.006) 0.740 26.211 ( 1.487 -2.758 0.919) 3.265 26.284 ( -1.402 -3.465 -0.965) 3.860 26.411 ( 0.312 -0.218 -0.070) 0.387 26.448 ( 0.002 -0.894 0.653) 1.107 26.769 ( -0.289 0.449 0.015) 0.534 27.135 ( 2.034 -11.752 -0.062) 11.927 27.761 ( -0.914 16.705 2.578) 16.928 27.976 ( 1.036 3.629 -5.377) 6.569 28.753 ( 0.007 3.596 -0.191) 3.601 29.224 ( 0.212 -2.969 0.164) 2.981 29.290 ( 1.504 0.483 2.566) 3.013 29.775 ( -1.036 -5.712 -0.330) 5.815 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( 0.000 14.473 0.000) 14.473 1.363 ( 0.000 14.322 0.000) 14.322 1.600 ( 0.000 -7.302 0.000) 7.302 1.728 ( 0.000 -4.985 0.000) 4.985 1.850 ( 0.000 3.656 0.000) 3.656 1.886 ( 0.000 1.529 0.000) 1.529 2.162 ( 0.000 5.590 0.000) 5.590 2.204 ( 0.000 5.065 0.000) 5.065 2.267 ( 0.000 4.474 0.000) 4.474 2.381 ( 0.000 5.536 0.000) 5.536 2.457 ( 0.000 10.963 0.000) 10.963 2.574 ( 0.000 5.695 0.000) 5.695 2.633 ( 0.000 -0.063 0.000) 0.063 2.638 ( 0.000 4.139 0.000) 4.139 2.856 ( 0.000 -1.265 0.000) 1.265 2.899 ( 0.000 0.234 0.000) 0.234 3.032 ( 0.000 -4.366 0.000) 4.366 3.107 ( 0.000 0.549 0.000) 0.549 3.215 ( 0.000 -0.915 0.000) 0.915 3.219 ( 0.000 2.748 0.000) 2.748 3.245 ( 0.000 7.883 0.000) 7.883 3.253 ( 0.000 2.318 0.000) 2.318 3.467 ( 0.000 0.713 0.000) 0.713 3.508 ( 0.000 -2.821 0.000) 2.821 3.535 ( 0.000 0.838 0.000) 0.838 3.607 ( 0.000 -0.898 0.000) 0.898 3.617 ( 0.000 -0.671 0.000) 0.671 3.681 ( 0.000 4.717 0.000) 4.717 3.840 ( 0.000 -2.151 0.000) 2.151 3.942 ( 0.000 -8.758 0.000) 8.758 4.128 ( 0.000 6.557 0.000) 6.557 4.263 ( 0.000 1.039 0.000) 1.039 4.572 ( 0.000 10.131 0.000) 10.131 4.606 ( 0.000 6.573 0.000) 6.573 4.801 ( 0.000 15.167 0.000) 15.167 4.843 ( 0.000 1.334 0.000) 1.334 5.110 ( 0.000 -2.851 0.000) 2.851 5.250 ( 0.000 -3.152 0.000) 3.152 5.442 ( 0.000 -3.450 0.000) 3.450 5.529 ( 0.000 0.269 0.000) 0.269 6.308 ( 0.000 0.796 0.000) 0.796 6.324 ( 0.000 3.459 0.000) 3.459 6.613 ( 0.000 2.933 0.000) 2.933 6.633 ( 0.000 5.800 0.000) 5.800 6.706 ( 0.000 0.009 0.000) 0.009 6.835 ( 0.000 -5.849 0.000) 5.849 7.029 ( 0.000 -4.131 0.000) 4.131 7.138 ( 0.000 -8.188 0.000) 8.188 7.581 ( 0.000 0.447 0.000) 0.447 7.720 ( 0.000 -4.853 0.000) 4.853 8.020 ( 0.000 6.024 0.000) 6.024 8.061 ( 0.000 -2.376 0.000) 2.376 8.064 ( 0.000 -1.318 0.000) 1.318 8.331 ( 0.000 7.499 0.000) 7.499 8.377 ( 0.000 -7.969 0.000) 7.969 8.560 ( 0.000 -0.556 0.000) 0.556 9.264 ( 0.000 -1.521 0.000) 1.521 9.309 ( 0.000 -2.477 0.000) 2.477 9.468 ( 0.000 3.208 0.000) 3.208 9.685 ( 0.000 -6.613 0.000) 6.613 10.250 ( 0.000 0.107 0.000) 0.107 10.347 ( 0.000 -5.153 0.000) 5.153 11.629 ( 0.000 10.526 0.000) 10.526 11.927 ( 0.000 -4.289 0.000) 4.289 12.407 ( 0.000 -3.636 0.000) 3.636 12.478 ( 0.000 -8.500 0.000) 8.500 13.382 ( 0.000 5.985 0.000) 5.985 13.599 ( 0.000 0.240 0.000) 0.240 13.832 ( 0.000 5.463 0.000) 5.463 13.857 ( 0.000 -2.600 0.000) 2.600 14.051 ( 0.000 -1.545 0.000) 1.545 14.140 ( 0.000 -4.412 0.000) 4.412 14.526 ( 0.000 5.834 0.000) 5.834 14.807 ( 0.000 -5.879 0.000) 5.879 15.224 ( 0.000 2.139 0.000) 2.139 15.395 ( 0.000 -5.088 0.000) 5.088 16.063 ( 0.000 3.306 0.000) 3.306 16.166 ( 0.000 -1.829 0.000) 1.829 16.696 ( 0.000 7.632 0.000) 7.632 17.001 ( 0.000 -6.606 0.000) 6.606 24.641 ( 0.000 0.433 0.000) 0.433 24.674 ( 0.000 -1.212 0.000) 1.212 24.850 ( 0.000 1.445 0.000) 1.445 24.876 ( 0.000 0.178 0.000) 0.178 26.158 ( 0.000 1.353 0.000) 1.353 26.282 ( 0.000 -4.735 0.000) 4.735 26.381 ( 0.000 1.336 0.000) 1.336 26.425 ( 0.000 -1.004 0.000) 1.004 26.799 ( 0.000 0.586 0.000) 0.586 26.886 ( 0.000 -4.037 0.000) 4.037 27.983 ( 0.000 6.779 0.000) 6.779 28.055 ( 0.000 4.032 0.000) 4.032 28.844 ( 0.000 5.460 0.000) 5.460 29.100 ( 0.000 -6.608 0.000) 6.608 29.348 ( 0.000 8.382 0.000) 8.382 29.676 ( 0.000 -8.109 0.000) 8.109 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.20 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( 0.148 11.107 4.164) 11.863 1.378 ( 1.916 9.404 3.275) 10.141 1.618 ( -3.525 -3.950 -1.836) 5.604 1.663 ( 0.767 -2.472 -1.251) 2.875 1.849 ( -0.777 2.974 -1.411) 3.382 1.900 ( 0.390 -0.992 1.050) 1.496 2.078 ( -3.089 8.085 3.619) 9.381 2.205 ( -5.848 4.644 2.065) 7.748 2.294 ( -5.434 6.711 -1.039) 8.697 2.342 ( 4.608 6.388 -3.514) 8.625 2.385 ( -3.125 10.728 0.929) 11.212 2.544 ( -1.478 4.711 4.484) 6.669 2.611 ( -1.037 1.257 -0.088) 1.632 2.699 ( 3.282 -2.194 4.499) 5.985 2.820 ( -2.947 -1.431 -0.160) 3.280 2.889 ( -2.497 -2.459 -0.579) 3.552 3.027 ( 0.680 -1.216 -1.039) 1.738 3.079 ( -1.193 2.391 -5.511) 6.125 3.186 ( 0.982 -2.256 0.062) 2.461 3.219 ( -1.572 -0.202 -0.380) 1.630 3.289 ( 2.619 2.938 -1.266) 4.135 3.301 ( 2.168 8.064 -0.466) 8.363 3.434 ( -0.701 -1.317 -1.671) 2.240 3.512 ( 0.069 1.817 -2.942) 3.459 3.559 ( -1.263 3.748 -0.153) 3.958 3.625 ( 2.559 0.918 1.044) 2.913 3.675 ( 7.479 -1.669 -1.969) 7.912 3.768 ( 5.781 3.465 1.270) 6.858 3.892 ( 4.103 -3.042 1.216) 5.251 3.947 ( 0.425 -5.058 -1.933) 5.431 4.106 ( -2.233 5.318 -1.074) 5.867 4.235 ( -2.683 0.591 -1.055) 2.943 4.530 ( -2.198 12.134 -0.923) 12.366 4.612 ( -0.290 5.504 0.803) 5.569 4.755 ( -2.747 12.762 -0.852) 13.082 4.858 ( 0.604 3.017 1.199) 3.302 5.042 ( -4.585 -5.459 2.801) 7.660 5.249 ( -1.157 -4.460 3.699) 5.908 5.505 ( 4.475 -1.032 -0.833) 4.668 5.563 ( 2.725 1.582 -1.200) 3.372 6.305 ( -0.215 1.591 0.515) 1.686 6.334 ( 0.822 2.807 -0.864) 3.050 6.623 ( 0.495 5.402 0.049) 5.424 6.656 ( 1.543 1.228 5.596) 5.933 6.712 ( 0.853 0.313 -3.120) 3.250 6.831 ( 0.057 -7.345 -2.850) 7.879 7.006 ( -1.711 -3.985 -1.366) 4.547 7.129 ( -0.892 -7.676 0.909) 7.781 7.615 ( 2.747 -0.398 0.734) 2.871 7.741 ( 1.665 -4.865 -0.613) 5.178 8.030 ( 1.077 3.350 -2.197) 4.148 8.058 ( -0.405 -2.227 2.157) 3.127 8.075 ( 0.960 -0.107 1.326) 1.640 8.338 ( 0.548 9.129 -0.128) 9.146 8.361 ( -1.434 -8.262 0.429) 8.397 8.568 ( 0.699 -0.538 0.236) 0.913 9.258 ( -0.415 -1.344 -1.015) 1.735 9.308 ( -0.126 -2.537 0.553) 2.599 9.455 ( -1.097 3.366 0.080) 3.541 9.681 ( -0.314 -6.832 -0.292) 6.846 10.260 ( 0.864 0.149 -0.256) 0.913 10.356 ( 0.737 -5.021 0.290) 5.083 11.617 ( -0.941 10.865 -0.017) 10.905 11.926 ( -0.137 -4.445 0.107) 4.448 12.407 ( 0.058 -3.623 -0.358) 3.641 12.477 ( -0.109 -8.459 0.050) 8.460 13.384 ( 0.228 5.790 -0.160) 5.796 13.568 ( -2.311 4.332 0.659) 4.954 13.815 ( -0.114 -0.871 -0.276) 0.921 13.910 ( 1.828 3.197 1.418) 3.946 14.008 ( -1.445 -2.290 0.283) 2.722 14.190 ( 2.767 -7.850 -2.040) 8.569 14.538 ( 1.313 5.482 -1.231) 5.770 14.813 ( 0.358 -5.841 1.292) 5.993 15.222 ( -0.214 2.143 0.080) 2.155 15.392 ( -0.258 -5.075 0.288) 5.089 16.074 ( 0.849 2.647 1.287) 3.063 16.161 ( -0.394 -1.593 -0.734) 1.797 16.691 ( -0.495 7.719 0.237) 7.739 16.998 ( -0.205 -6.649 -0.262) 6.657 24.641 ( -0.020 0.513 0.075) 0.518 24.674 ( -0.028 -1.114 0.262) 1.145 24.845 ( -0.447 1.443 -0.202) 1.525 24.871 ( -0.379 0.147 -0.042) 0.408 26.162 ( 0.419 0.628 0.298) 0.812 26.257 ( -1.754 -3.756 -1.170) 4.308 26.396 ( 0.994 0.680 0.451) 1.286 26.428 ( 0.183 -0.870 0.756) 1.167 26.794 ( -0.275 1.206 0.053) 1.238 26.913 ( 2.012 -5.484 -0.255) 5.847 27.991 ( 0.343 7.238 4.013) 8.283 28.057 ( 0.600 3.932 -5.067) 6.442 28.844 ( 0.040 5.536 -0.352) 5.548 29.105 ( 0.419 -6.733 0.005) 6.746 29.358 ( 0.673 7.531 1.463) 7.701 29.665 ( -0.887 -7.699 -0.278) 7.754 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.40 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.190 ( -0.026 5.252 2.505) 5.819 1.394 ( -2.094 -1.610 2.649) 3.741 1.581 ( 2.847 6.157 -2.025) 7.079 1.673 ( -1.640 0.129 -1.114) 1.987 1.842 ( 0.192 -0.365 1.020) 1.100 1.869 ( -1.945 0.498 0.003) 2.008 2.054 ( -3.571 6.326 1.759) 7.474 2.106 ( -0.332 9.986 0.699) 10.016 2.200 ( -0.741 5.318 0.378) 5.382 2.276 ( -3.330 10.788 -0.833) 11.321 2.475 ( 2.644 3.228 -1.514) 4.439 2.583 ( 4.772 7.368 4.547) 9.886 2.589 ( -0.911 -1.693 0.657) 2.032 2.713 ( -3.678 3.908 -0.891) 5.440 2.764 ( -1.923 -4.659 -1.424) 5.237 2.819 ( -1.459 -7.428 0.331) 7.577 3.059 ( 2.172 0.754 1.515) 2.753 3.085 ( 1.063 -2.386 -1.992) 3.285 3.173 ( -0.834 -1.421 -1.444) 2.191 3.236 ( 0.500 -1.466 2.146) 2.647 3.268 ( -2.328 2.867 -2.606) 4.520 3.355 ( 3.778 7.229 -0.383) 8.166 3.420 ( -1.455 -0.185 -0.132) 1.472 3.463 ( -2.144 -0.452 -1.706) 2.777 3.616 ( 3.992 6.242 -2.029) 7.682 3.655 ( 0.037 6.172 0.372) 6.183 3.818 ( 4.473 -1.069 -0.904) 4.687 3.861 ( 2.707 5.079 3.070) 6.523 3.925 ( -0.927 1.640 -2.421) 3.067 3.972 ( 0.502 0.877 -1.829) 2.089 4.075 ( 1.550 -1.411 2.821) 3.514 4.157 ( -4.013 0.389 -2.614) 4.805 4.506 ( -0.172 10.910 -0.142) 10.912 4.597 ( -1.094 3.357 0.651) 3.590 4.725 ( 0.030 16.671 -0.027) 16.671 4.865 ( -0.088 -0.292 0.502) 0.587 4.975 ( -1.912 -7.462 1.382) 7.826 5.227 ( -0.956 -5.005 1.787) 5.400 5.567 ( 1.409 -0.185 -0.516) 1.511 5.613 ( 1.654 3.976 -0.263) 4.315 6.303 ( -0.027 2.203 0.109) 2.206 6.347 ( 0.424 2.366 -0.330) 2.427 6.631 ( 0.218 6.613 0.661) 6.649 6.688 ( 0.477 -0.413 1.828) 1.934 6.727 ( 0.680 -1.473 -0.247) 1.641 6.831 ( 0.337 -9.847 -2.377) 10.136 6.972 ( -0.913 -3.818 -1.054) 4.065 7.111 ( -0.672 -6.774 0.618) 6.835 7.667 ( 1.508 -1.254 0.538) 2.034 7.768 ( 0.817 -4.590 -0.399) 4.679 8.043 ( 0.427 -0.374 -1.871) 1.955 8.054 ( -0.248 -2.464 1.189) 2.748 8.108 ( 1.416 0.776 1.431) 2.157 8.323 ( -1.296 -1.069 -0.298) 1.706 8.355 ( 0.373 4.622 0.455) 4.659 8.583 ( 0.462 -0.492 0.172) 0.697 9.249 ( -0.245 -1.084 -0.594) 1.260 9.306 ( -0.073 -2.629 0.311) 2.649 9.434 ( -0.689 3.585 0.046) 3.651 9.674 ( -0.218 -7.181 -0.179) 7.187 10.276 ( 0.513 0.287 -0.167) 0.611 10.371 ( 0.447 -4.798 0.179) 4.822 11.599 ( -0.546 11.295 -0.004) 11.308 11.923 ( -0.094 -4.696 0.065) 4.698 12.408 ( 0.040 -3.601 -0.218) 3.608 12.474 ( -0.073 -8.388 0.032) 8.389 13.389 ( 0.184 5.439 -0.106) 5.444 13.531 ( -1.038 8.156 0.403) 8.231 13.824 ( 0.663 -2.878 0.022) 2.954 13.898 ( -1.488 4.511 -0.058) 4.751 14.029 ( 1.452 -3.088 1.099) 3.585 14.218 ( 0.469 -9.415 -1.425) 9.534 14.567 ( 1.151 3.455 -0.832) 3.735 14.821 ( 0.148 -5.756 0.834) 5.818 15.218 ( -0.135 2.151 0.049) 2.156 15.388 ( -0.159 -5.066 0.183) 5.071 16.096 ( 0.745 1.370 1.178) 1.955 16.149 ( -0.465 -0.987 -0.837) 1.375 16.682 ( -0.304 7.852 0.143) 7.860 16.994 ( -0.128 -6.716 -0.159) 6.719 24.641 ( 0.013 0.634 0.053) 0.636 24.674 ( -0.002 -0.989 0.171) 1.004 24.835 ( -0.297 1.449 -0.135) 1.485 24.864 ( -0.215 0.038 -0.030) 0.220 26.176 ( 0.695 -0.732 0.433) 1.099 26.221 ( -1.281 -2.697 -0.819) 3.096 26.413 ( 0.468 0.328 0.053) 0.574 26.432 ( 0.037 -0.660 0.516) 0.839 26.791 ( -0.025 1.782 -0.003) 1.782 26.947 ( 1.009 -7.157 -0.102) 7.229 28.006 ( 0.293 8.070 3.319) 8.731 28.058 ( 0.263 3.711 -3.956) 5.430 28.845 ( 0.024 5.647 -0.209) 5.651 29.113 ( 0.260 -6.888 -0.012) 6.893 29.374 ( 0.454 6.131 0.932) 6.218 29.647 ( -0.591 -6.999 -0.209) 7.027 ======================= Grid point 20 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.421 ( 0.000 -10.788 0.000) 10.788 1.421 ( 0.000 10.788 0.000) 10.788 1.587 ( 0.000 -8.937 0.000) 8.937 1.587 ( 0.000 8.937 0.000) 8.937 1.897 ( 0.000 -0.756 0.000) 0.756 1.897 ( 0.000 0.756 0.000) 0.756 2.250 ( 0.000 -1.142 0.000) 1.142 2.250 ( 0.000 1.142 0.000) 1.142 2.356 ( 0.000 -5.345 0.000) 5.345 2.356 ( 0.000 5.345 0.000) 5.345 2.603 ( 0.000 -1.768 0.000) 1.768 2.603 ( 0.000 1.768 0.000) 1.768 2.663 ( 0.000 -0.238 0.000) 0.238 2.663 ( 0.000 0.238 0.000) 0.238 2.860 ( 0.000 -2.928 0.000) 2.928 2.860 ( 0.000 2.928 0.000) 2.928 3.040 ( 0.000 -4.256 0.000) 4.256 3.040 ( 0.000 4.256 0.000) 4.256 3.208 ( 0.000 -0.534 0.000) 0.534 3.208 ( 0.000 0.534 0.000) 0.534 3.370 ( 0.000 -3.205 0.000) 3.205 3.370 ( 0.000 3.205 0.000) 3.205 3.429 ( 0.000 -2.579 0.000) 2.579 3.429 ( 0.000 2.579 0.000) 2.579 3.603 ( 0.000 -0.414 0.000) 0.414 3.603 ( 0.000 0.414 0.000) 0.414 3.707 ( 0.000 -13.112 0.000) 13.112 3.707 ( 0.000 13.112 0.000) 13.112 3.781 ( 0.000 -4.262 0.000) 4.262 3.781 ( 0.000 4.262 0.000) 4.262 4.233 ( 0.000 -3.555 0.000) 3.555 4.233 ( 0.000 3.555 0.000) 3.555 4.708 ( 0.000 -0.883 0.000) 0.883 4.708 ( 0.000 0.883 0.000) 0.883 4.867 ( 0.000 -3.481 0.000) 3.481 4.867 ( 0.000 3.481 0.000) 3.481 5.178 ( 0.000 -5.569 0.000) 5.569 5.178 ( 0.000 5.570 0.000) 5.570 5.455 ( 0.000 -5.082 0.000) 5.082 5.455 ( 0.000 5.082 0.000) 5.082 6.339 ( 0.000 -1.363 0.000) 1.363 6.339 ( 0.000 1.363 0.000) 1.363 6.667 ( 0.000 -3.207 0.000) 3.207 6.667 ( 0.000 3.207 0.000) 3.207 6.758 ( 0.000 -4.121 0.000) 4.121 6.758 ( 0.000 4.121 0.000) 4.121 7.006 ( 0.000 -3.215 0.000) 3.215 7.006 ( 0.000 3.215 0.000) 3.215 7.624 ( 0.000 -4.076 0.000) 4.076 7.624 ( 0.000 4.076 0.000) 4.076 8.043 ( 0.000 -0.484 0.000) 0.484 8.043 ( 0.000 0.484 0.000) 0.484 8.173 ( 0.000 -9.327 0.000) 9.327 8.173 ( 0.000 9.327 0.000) 9.327 8.496 ( 0.000 -6.003 0.000) 6.003 8.496 ( 0.000 6.003 0.000) 6.003 9.264 ( 0.000 -1.440 0.000) 1.440 9.264 ( 0.000 1.440 0.000) 1.440 9.557 ( 0.000 -5.739 0.000) 5.739 9.557 ( 0.000 5.739 0.000) 5.739 10.274 ( 0.000 -2.391 0.000) 2.391 10.274 ( 0.000 2.391 0.000) 2.391 11.815 ( 0.000 -7.694 0.000) 7.694 11.815 ( 0.000 7.694 0.000) 7.694 12.377 ( 0.000 -1.375 0.000) 1.375 12.377 ( 0.000 1.375 0.000) 1.375 13.507 ( 0.000 -6.578 0.000) 6.578 13.507 ( 0.000 6.578 0.000) 6.578 13.886 ( 0.000 -0.790 0.000) 0.790 13.886 ( 0.000 0.790 0.000) 0.790 14.054 ( 0.000 -2.823 0.000) 2.823 14.054 ( 0.000 2.823 0.000) 2.823 14.666 ( 0.000 -7.732 0.000) 7.732 14.666 ( 0.000 7.732 0.000) 7.732 15.294 ( 0.000 -4.682 0.000) 4.682 15.294 ( 0.000 4.682 0.000) 4.682 16.122 ( 0.000 -2.594 0.000) 2.594 16.122 ( 0.000 2.594 0.000) 2.594 16.854 ( 0.000 -7.985 0.000) 7.985 16.854 ( 0.000 7.985 0.000) 7.985 24.654 ( 0.000 -0.823 0.000) 0.823 24.654 ( 0.000 0.823 0.000) 0.823 24.871 ( 0.000 -0.671 0.000) 0.671 24.871 ( 0.000 0.671 0.000) 0.671 26.202 ( 0.000 -3.156 0.000) 3.156 26.202 ( 0.000 3.156 0.000) 3.156 26.405 ( 0.000 -1.076 0.000) 1.076 26.405 ( 0.000 1.076 0.000) 1.076 26.826 ( 0.000 -2.152 0.000) 2.152 26.826 ( 0.000 2.152 0.000) 2.152 28.074 ( 0.000 -2.061 0.000) 2.061 28.074 ( 0.000 2.061 0.000) 2.061 28.966 ( 0.000 -6.659 0.000) 6.659 28.966 ( 0.000 6.659 0.000) 6.659 29.513 ( 0.000 -8.251 0.000) 8.251 29.513 ( 0.000 8.251 0.000) 8.251 ======================= Grid point 22 (14/80) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( -4.093 -7.888 5.018) 10.205 1.384 ( -4.093 7.888 5.018) 10.205 1.606 ( 2.488 -3.661 -3.030) 5.364 1.606 ( 2.488 3.661 -3.030) 5.364 1.884 ( -1.374 -0.847 1.032) 1.916 1.884 ( -1.374 0.847 1.032) 1.916 2.220 ( -2.752 -4.305 2.439) 5.661 2.220 ( -2.752 4.305 2.439) 5.661 2.398 ( 3.175 -3.446 -2.686) 5.401 2.398 ( 3.175 3.446 -2.686) 5.401 2.510 ( -6.579 -4.813 -0.583) 8.173 2.510 ( -6.579 4.813 -0.583) 8.173 2.668 ( 0.678 -3.244 5.060) 6.049 2.668 ( 0.678 3.244 5.060) 6.049 2.819 ( -3.723 -3.457 -0.439) 5.099 2.819 ( -3.723 3.457 -0.439) 5.099 3.053 ( 1.967 -3.246 -4.157) 5.629 3.053 ( 1.967 3.246 -4.157) 5.629 3.185 ( -2.569 -1.876 0.363) 3.202 3.185 ( -2.569 1.876 0.363) 3.202 3.361 ( 1.111 -3.148 -0.738) 3.419 3.361 ( 1.111 3.148 -0.738) 3.419 3.483 ( -0.456 -5.246 0.713) 5.314 3.483 ( -0.456 5.246 0.713) 5.314 3.642 ( 5.734 -2.608 -2.655) 6.836 3.642 ( 5.734 2.608 -2.655) 6.836 3.737 ( 3.105 -10.960 -2.265) 11.614 3.737 ( 3.105 10.960 -2.265) 11.614 3.843 ( 4.886 -3.915 2.550) 6.760 3.843 ( 4.886 3.915 2.550) 6.760 4.206 ( -2.608 -3.535 -2.085) 4.862 4.206 ( -2.608 3.535 -2.085) 4.862 4.692 ( -1.521 -2.282 -0.485) 2.785 4.692 ( -1.521 2.282 -0.485) 2.785 4.841 ( -1.690 -5.299 1.701) 5.816 4.841 ( -1.690 5.299 1.701) 5.816 5.127 ( -3.698 -9.077 2.997) 10.249 5.127 ( -3.698 9.077 2.997) 10.249 5.527 ( 5.020 -3.378 -0.846) 6.109 5.527 ( 5.020 3.378 -0.846) 6.109 6.344 ( 0.387 -1.522 -0.228) 1.587 6.344 ( 0.387 1.522 -0.228) 1.587 6.674 ( 0.503 -2.781 0.415) 2.856 6.674 ( 0.503 2.781 0.415) 2.856 6.751 ( -0.623 -2.651 -0.294) 2.739 6.751 ( -0.623 2.651 -0.294) 2.739 6.997 ( -0.678 -4.026 -0.887) 4.178 6.997 ( -0.678 4.026 -0.887) 4.178 7.646 ( 1.789 -3.770 0.317) 4.185 7.646 ( 1.789 3.770 0.317) 4.185 8.039 ( -0.288 -0.330 -0.357) 0.565 8.039 ( -0.288 0.330 -0.357) 0.565 8.179 ( 0.334 -8.345 0.960) 8.407 8.179 ( 0.334 8.345 0.960) 8.407 8.504 ( 0.701 -6.118 -0.001) 6.158 8.504 ( 0.701 6.118 -0.001) 6.158 9.261 ( -0.217 -1.584 -0.127) 1.603 9.261 ( -0.217 1.584 -0.127) 1.603 9.548 ( -0.745 -5.992 -0.188) 6.041 9.548 ( -0.745 5.992 -0.188) 6.041 10.284 ( 0.874 -2.373 -0.012) 2.529 10.284 ( 0.874 2.373 -0.012) 2.529 11.809 ( -0.484 -7.951 0.105) 7.967 11.809 ( -0.484 7.951 0.105) 7.967 12.376 ( 0.010 -1.326 -0.159) 1.335 12.376 ( 0.010 1.326 -0.159) 1.335 13.505 ( -0.092 -6.325 -0.090) 6.327 13.505 ( -0.092 6.325 -0.090) 6.327 13.904 ( 1.386 -5.442 1.290) 5.762 13.904 ( 1.386 5.442 1.290) 5.762 14.040 ( -1.073 -6.280 -1.237) 6.490 14.040 ( -1.073 6.280 -1.237) 6.490 14.674 ( 0.624 -7.596 0.287) 7.627 14.674 ( 0.624 7.596 0.287) 7.627 15.292 ( -0.206 -4.670 0.056) 4.675 15.292 ( -0.206 4.670 0.056) 4.675 16.124 ( 0.095 -2.221 0.044) 2.223 16.124 ( 0.095 2.221 0.044) 2.223 16.850 ( -0.326 -8.064 -0.046) 8.071 16.850 ( -0.326 8.064 -0.046) 8.071 24.654 ( 0.046 -0.835 0.172) 0.853 24.654 ( 0.046 0.835 0.172) 0.853 24.866 ( -0.431 -0.692 -0.118) 0.823 24.866 ( -0.431 0.692 -0.118) 0.823 26.194 ( -0.662 -2.492 -0.372) 2.605 26.194 ( -0.662 2.492 -0.372) 2.605 26.412 ( 0.495 -0.831 0.462) 1.072 26.412 ( 0.495 0.831 0.462) 1.072 26.833 ( 0.556 -2.822 -0.085) 2.877 26.833 ( 0.556 2.822 -0.085) 2.877 28.081 ( 0.577 -1.758 -0.105) 1.853 28.081 ( 0.577 1.758 -0.105) 1.853 28.968 ( 0.207 -6.794 -0.160) 6.799 28.968 ( 0.207 6.794 -0.160) 6.799 29.511 ( -0.236 -7.802 0.216) 7.809 29.511 ( -0.236 7.802 0.216) 7.809 ======================= Grid point 24 (15/80) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.307 ( -2.757 -6.134 2.296) 7.106 1.307 ( -2.757 6.134 2.296) 7.106 1.658 ( 1.980 -1.960 -1.029) 2.970 1.658 ( 1.980 1.960 -1.029) 2.970 1.851 ( -1.525 -0.995 1.075) 2.114 1.851 ( -1.525 0.995 1.075) 2.114 2.162 ( -2.284 -3.923 0.460) 4.563 2.162 ( -2.284 3.923 0.460) 4.563 2.387 ( -1.762 -11.435 -0.007) 11.570 2.387 ( -1.762 11.435 -0.007) 11.570 2.494 ( 2.881 -6.309 -1.714) 7.145 2.494 ( 2.881 6.309 -1.714) 7.145 2.674 ( -1.689 -3.652 2.398) 4.684 2.674 ( -1.689 3.652 2.398) 4.684 2.756 ( -0.848 -3.763 0.309) 3.869 2.756 ( -0.848 3.763 0.309) 3.869 3.058 ( -0.815 -0.875 -2.026) 2.353 3.058 ( -0.815 0.875 -2.026) 2.353 3.180 ( 1.554 -2.328 0.954) 2.957 3.180 ( 1.554 2.328 0.954) 2.957 3.354 ( -1.412 -4.446 -0.453) 4.687 3.354 ( -1.412 4.446 -0.453) 4.687 3.456 ( -0.717 -2.212 -0.781) 2.453 3.456 ( -0.717 2.212 -0.781) 2.453 3.758 ( 4.315 -6.087 -2.750) 7.952 3.758 ( 4.315 6.087 -2.750) 7.952 3.789 ( 1.079 -7.837 -0.228) 7.914 3.789 ( 1.079 7.837 -0.228) 7.914 3.967 ( 5.912 -4.054 3.247) 7.870 3.967 ( 5.912 4.054 3.247) 7.870 4.117 ( -5.129 -4.172 -2.721) 7.149 4.117 ( -5.129 4.172 -2.721) 7.149 4.656 ( -1.312 -1.985 0.190) 2.387 4.656 ( -1.312 1.985 0.190) 2.387 4.835 ( 0.503 -3.960 0.781) 4.068 4.835 ( 0.503 3.960 0.781) 4.068 5.067 ( -2.085 -12.019 1.488) 12.288 5.067 ( -2.085 12.019 1.488) 12.288 5.604 ( 2.093 -3.130 -0.237) 3.773 5.604 ( 2.093 3.130 -0.237) 3.773 6.351 ( 0.242 -1.764 -0.150) 1.787 6.351 ( 0.242 1.764 -0.150) 1.787 6.685 ( 0.344 -1.381 0.359) 1.467 6.685 ( 0.344 1.381 0.359) 1.467 6.737 ( -0.476 -0.972 -0.317) 1.128 6.737 ( -0.476 0.972 -0.317) 1.128 6.983 ( -0.359 -4.960 -0.528) 5.001 6.983 ( -0.359 4.960 -0.528) 5.001 7.680 ( 1.044 -3.196 0.217) 3.369 7.680 ( 1.044 3.196 0.217) 3.369 8.034 ( -0.107 -0.124 -0.242) 0.292 8.034 ( -0.107 0.124 -0.242) 0.292 8.186 ( 0.138 -6.572 0.562) 6.598 8.186 ( 0.138 6.572 0.562) 6.598 8.519 ( 0.488 -6.237 0.041) 6.256 8.519 ( 0.488 6.237 0.041) 6.256 9.256 ( -0.132 -1.804 -0.079) 1.810 9.256 ( -0.132 1.804 -0.079) 1.810 9.533 ( -0.480 -6.395 -0.122) 6.414 9.533 ( -0.480 6.395 -0.122) 6.414 10.301 ( 0.538 -2.344 -0.010) 2.405 10.301 ( 0.538 2.344 -0.010) 2.405 11.800 ( -0.302 -8.350 0.064) 8.355 11.800 ( -0.302 8.350 0.064) 8.355 12.376 ( 0.006 -1.235 -0.096) 1.238 12.376 ( 0.006 1.235 -0.096) 1.238 13.504 ( -0.034 -5.925 -0.048) 5.925 13.504 ( -0.034 5.925 -0.048) 5.925 13.934 ( 0.919 -5.942 1.186) 6.129 13.934 ( 0.919 5.942 1.186) 6.129 14.016 ( -0.724 -7.382 -1.156) 7.507 14.016 ( -0.724 7.382 -1.156) 7.507 14.686 ( 0.359 -7.275 0.169) 7.286 14.686 ( 0.359 7.275 0.169) 7.286 15.288 ( -0.130 -4.652 0.036) 4.654 15.288 ( -0.130 4.652 0.036) 4.654 16.125 ( 0.059 -1.424 0.026) 1.425 16.125 ( 0.059 1.424 0.026) 1.425 16.844 ( -0.202 -8.192 -0.029) 8.195 16.844 ( -0.202 8.192 -0.029) 8.195 24.656 ( 0.042 -0.835 0.113) 0.844 24.656 ( 0.042 0.835 0.113) 0.844 24.857 ( -0.275 -0.748 -0.079) 0.801 24.857 ( -0.275 0.748 -0.079) 0.801 26.181 ( -0.347 -1.225 -0.201) 1.289 26.181 ( -0.347 1.225 -0.201) 1.289 26.421 ( 0.248 -0.485 0.252) 0.600 26.421 ( 0.248 0.485 0.252) 0.600 26.843 ( 0.334 -3.659 -0.047) 3.674 26.843 ( 0.334 3.659 -0.047) 3.674 28.091 ( 0.351 -0.908 -0.065) 0.976 28.091 ( 0.351 0.908 -0.065) 0.976 28.972 ( 0.130 -7.026 -0.102) 7.028 28.972 ( 0.130 7.026 -0.102) 7.028 29.507 ( -0.147 -7.022 0.136) 7.025 29.507 ( -0.147 7.022 0.136) 7.025 ======================= Grid point 45 (16/80) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.444 ( -1.236 0.000 23.637) 23.670 0.511 ( -0.259 0.000 25.202) 25.204 0.967 ( 5.119 0.000 46.232) 46.515 1.616 ( 5.691 0.000 2.854) 6.366 1.634 ( 1.791 0.000 -3.413) 3.855 1.812 ( -1.920 0.000 -1.778) 2.617 1.835 ( 2.636 0.000 0.881) 2.780 1.980 ( -0.820 0.000 2.661) 2.784 2.053 ( -0.952 0.000 2.038) 2.249 2.063 ( 1.166 0.000 -2.687) 2.929 2.229 ( -15.571 0.000 10.158) 18.592 2.244 ( 8.386 0.000 -3.167) 8.964 2.451 ( -2.752 0.000 2.561) 3.759 2.642 ( -0.050 0.000 0.020) 0.054 2.835 ( -1.591 0.000 -2.774) 3.198 2.902 ( 8.119 0.000 -3.472) 8.831 3.057 ( -4.945 0.000 -10.587) 11.685 3.067 ( 0.722 0.000 1.640) 1.792 3.101 ( 1.644 0.000 -5.825) 6.053 3.121 ( 4.395 0.000 3.028) 5.337 3.194 ( -1.846 0.000 -0.536) 1.922 3.333 ( -1.333 0.000 -3.680) 3.914 3.421 ( 1.488 0.000 1.330) 1.995 3.451 ( -11.570 0.000 -2.826) 11.910 3.466 ( -7.253 0.000 2.130) 7.559 3.570 ( 4.097 0.000 4.925) 6.407 3.689 ( 2.956 0.000 4.504) 5.388 3.707 ( 0.617 0.000 0.409) 0.740 3.801 ( 1.979 0.000 0.915) 2.180 3.803 ( -11.797 0.000 -4.282) 12.550 3.924 ( 8.828 0.000 1.151) 8.902 3.952 ( -0.588 0.000 2.081) 2.162 4.046 ( 2.942 0.000 -1.236) 3.191 4.196 ( 1.127 0.000 -3.397) 3.579 4.701 ( 0.520 0.000 -7.473) 7.491 4.799 ( -16.131 0.000 2.195) 16.279 5.034 ( 1.717 0.000 -14.731) 14.830 5.295 ( 0.579 0.000 -7.656) 7.678 5.355 ( -0.707 0.000 7.781) 7.813 5.535 ( -0.670 0.000 6.749) 6.782 6.027 ( -3.470 0.000 1.518) 3.788 6.370 ( -0.838 0.000 0.045) 0.839 6.382 ( -0.088 0.000 -3.871) 3.872 6.691 ( 15.806 0.000 -5.111) 16.612 6.996 ( 1.936 0.000 13.729) 13.865 7.056 ( 0.383 0.000 3.454) 3.475 7.286 ( -1.123 0.000 0.494) 1.227 7.305 ( -0.083 0.000 -2.341) 2.343 7.439 ( 0.765 0.000 1.110) 1.348 7.718 ( -1.963 0.000 -2.606) 3.263 7.797 ( -0.624 0.000 6.362) 6.392 7.907 ( 2.977 0.000 -0.420) 3.007 8.130 ( -1.529 0.000 -5.913) 6.108 8.331 ( -0.444 0.000 4.522) 4.544 8.359 ( 1.039 0.000 -9.213) 9.272 9.098 ( -0.738 0.000 -8.487) 8.519 9.248 ( 2.811 0.000 -1.805) 3.341 9.410 ( 0.603 0.000 4.953) 4.990 9.456 ( 0.414 0.000 -4.796) 4.814 10.028 ( -0.995 0.000 -5.119) 5.215 10.418 ( -0.719 0.000 9.089) 9.117 10.776 ( -0.526 0.000 11.430) 11.442 11.094 ( 0.980 0.000 -4.359) 4.468 12.157 ( 0.225 0.000 -6.174) 6.178 12.594 ( -0.598 0.000 -0.149) 0.616 12.810 ( 0.058 0.000 1.811) 1.812 13.064 ( 0.592 0.000 -1.247) 1.380 13.074 ( -0.273 0.000 9.149) 9.153 13.487 ( 2.499 0.000 -4.729) 5.348 14.090 ( 1.255 0.000 1.411) 1.888 14.298 ( -20.693 0.000 -2.148) 20.804 14.375 ( -2.889 0.000 -2.809) 4.030 14.491 ( 5.012 0.000 -0.183) 5.015 14.600 ( 1.428 0.000 -10.882) 10.975 15.345 ( -0.850 0.000 8.641) 8.683 15.607 ( 0.744 0.000 4.572) 4.632 16.283 ( -1.957 0.000 4.147) 4.586 16.443 ( 0.830 0.000 1.266) 1.513 16.747 ( 16.904 0.000 1.058) 16.937 17.147 ( -0.047 0.000 -3.514) 3.514 24.657 ( -0.027 0.000 0.088) 0.092 24.710 ( 0.338 0.000 -1.215) 1.261 24.773 ( -0.307 0.000 1.045) 1.089 24.813 ( 0.063 0.000 0.027) 0.068 26.241 ( 12.942 0.000 1.078) 12.987 26.316 ( 0.632 0.000 1.525) 1.651 26.383 ( -1.053 0.000 -0.174) 1.067 26.508 ( -1.880 0.000 1.631) 2.489 26.899 ( -0.257 0.000 -0.502) 0.564 27.002 ( -0.212 0.000 3.163) 3.170 27.410 ( 0.467 0.000 -5.353) 5.373 27.463 ( -24.588 0.000 -3.063) 24.778 28.733 ( -3.002 0.000 4.960) 5.798 29.291 ( 0.266 0.000 -4.128) 4.137 29.741 ( 15.217 0.000 3.413) 15.595 29.917 ( 0.144 0.000 1.046) 1.056 ======================= Grid point 46 (17/80) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.622 ( 12.405 0.000 15.225) 19.639 0.697 ( 12.140 0.000 18.461) 22.095 1.397 ( 24.484 0.000 34.153) 42.023 1.672 ( -10.832 0.000 -0.454) 10.841 1.720 ( 3.797 0.000 -6.800) 7.788 1.786 ( 8.206 0.000 4.763) 9.488 1.863 ( -3.053 0.000 2.811) 4.150 1.914 ( -9.796 0.000 5.147) 11.066 2.000 ( 1.749 0.000 3.678) 4.073 2.020 ( -3.375 0.000 -1.047) 3.534 2.179 ( 5.364 0.000 4.946) 7.296 2.248 ( -7.683 0.000 3.468) 8.429 2.415 ( -2.743 0.000 -6.398) 6.961 2.652 ( 2.132 0.000 0.109) 2.135 2.697 ( -6.320 0.000 -10.535) 12.286 2.991 ( -0.230 0.000 -4.459) 4.465 2.993 ( 0.348 0.000 -2.210) 2.237 3.089 ( -0.319 0.000 3.166) 3.182 3.129 ( 2.848 0.000 -10.488) 10.868 3.196 ( 1.588 0.000 1.283) 2.041 3.269 ( -4.887 0.000 3.700) 6.129 3.323 ( 5.924 0.000 -2.475) 6.420 3.334 ( 3.227 0.000 -4.457) 5.502 3.378 ( -1.526 0.000 -0.185) 1.537 3.392 ( -9.806 0.000 4.426) 10.759 3.492 ( -8.684 0.000 -3.174) 9.246 3.659 ( 3.327 0.000 2.729) 4.303 3.697 ( -1.228 0.000 0.757) 1.442 3.743 ( 0.732 0.000 0.511) 0.893 3.862 ( 2.817 0.000 0.870) 2.948 3.946 ( -0.278 0.000 3.214) 3.226 3.985 ( -0.298 0.000 -1.690) 1.716 4.217 ( 1.317 0.000 -3.198) 3.458 4.285 ( 14.594 0.000 -6.410) 15.939 4.636 ( -0.905 0.000 -4.231) 4.327 4.818 ( 6.432 0.000 0.354) 6.442 5.023 ( -0.147 0.000 -14.393) 14.393 5.298 ( 0.949 0.000 -6.809) 6.875 5.357 ( -0.236 0.000 7.630) 7.634 5.526 ( -1.210 0.000 5.426) 5.559 5.992 ( -0.961 0.000 3.171) 3.313 6.358 ( -0.148 0.000 -1.321) 1.329 6.380 ( 0.490 0.000 -2.082) 2.139 6.939 ( 1.889 0.000 10.017) 10.193 7.064 ( -0.263 0.000 2.562) 2.576 7.200 ( 8.457 0.000 -7.810) 11.512 7.269 ( -0.397 0.000 -0.212) 0.450 7.381 ( 10.099 0.000 -8.005) 12.886 7.444 ( -0.589 0.000 1.840) 1.932 7.698 ( 0.974 0.000 -4.943) 5.038 7.801 ( -0.296 0.000 6.914) 6.920 7.995 ( 4.795 0.000 -2.465) 5.392 8.096 ( -0.131 0.000 -5.957) 5.959 8.339 ( 0.562 0.000 4.323) 4.359 8.372 ( 1.761 0.000 -8.946) 9.117 9.038 ( -18.410 0.000 9.394) 20.668 9.070 ( -0.153 0.000 -8.403) 8.404 9.423 ( -0.146 0.000 4.558) 4.561 9.442 ( -0.884 0.000 -4.867) 4.946 9.840 ( -6.479 0.000 -0.698) 6.516 10.415 ( -1.190 0.000 9.354) 9.430 10.782 ( -0.972 0.000 11.040) 11.083 11.100 ( 0.507 0.000 -4.315) 4.345 12.160 ( 0.731 0.000 -6.661) 6.702 12.589 ( 0.045 0.000 -0.090) 0.101 12.819 ( 0.339 0.000 1.965) 1.994 13.087 ( 1.558 0.000 -1.095) 1.904 13.089 ( -0.433 0.000 7.490) 7.502 13.589 ( 2.988 0.000 -7.406) 7.986 14.142 ( 3.282 0.000 3.076) 4.498 14.236 ( 6.489 0.000 -10.367) 12.230 14.296 ( -3.804 0.000 -3.819) 5.390 14.602 ( 0.835 0.000 -11.632) 11.662 14.660 ( 10.215 0.000 0.548) 10.230 15.340 ( -1.176 0.000 8.487) 8.568 15.626 ( 0.282 0.000 5.377) 5.385 16.235 ( -3.275 0.000 1.917) 3.795 16.453 ( -0.239 0.000 1.497) 1.516 16.697 ( -11.753 0.000 8.558) 14.539 17.139 ( 0.029 0.000 -3.870) 3.871 24.647 ( -0.665 0.000 0.155) 0.683 24.712 ( 0.084 0.000 -1.324) 1.327 24.769 ( -0.204 0.000 1.132) 1.150 24.818 ( 0.389 0.000 -0.033) 0.390 26.327 ( -0.282 0.000 2.345) 2.361 26.378 ( 0.961 0.000 -0.984) 1.376 26.456 ( -1.867 0.000 -0.207) 1.879 26.539 ( 5.700 0.000 -4.347) 7.169 26.875 ( -0.291 0.000 -0.691) 0.750 27.005 ( -0.113 0.000 3.379) 3.381 27.410 ( 0.446 0.000 -5.358) 5.376 27.472 ( 16.733 0.000 -5.748) 17.693 28.713 ( -0.307 0.000 4.346) 4.356 29.297 ( 0.973 0.000 -3.846) 3.967 29.707 ( -10.834 0.000 5.315) 12.067 29.909 ( -0.917 0.000 0.710) 1.160 ======================= Grid point 47 (18/80) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 16.170 0.000 7.848) 17.974 0.994 ( 10.978 0.000 12.024) 16.281 1.409 ( -11.865 0.000 1.057) 11.912 1.546 ( -18.251 0.000 5.618) 19.096 1.708 ( -2.137 0.000 -1.367) 2.537 1.861 ( -1.439 0.000 -2.299) 2.712 1.871 ( 2.137 0.000 1.141) 2.423 1.962 ( -4.313 0.000 -3.628) 5.636 1.999 ( 2.084 0.000 11.796) 11.979 2.051 ( 12.088 0.000 3.111) 12.482 2.084 ( -7.067 0.000 5.251) 8.804 2.224 ( 1.423 0.000 3.191) 3.494 2.353 ( 2.612 0.000 -3.320) 4.224 2.578 ( -2.885 0.000 4.725) 5.536 2.701 ( 0.637 0.000 -0.253) 0.686 2.977 ( 0.250 0.000 -0.625) 0.673 2.982 ( -0.636 0.000 -0.033) 0.636 3.061 ( -0.720 0.000 -2.455) 2.559 3.159 ( 0.192 0.000 -1.999) 2.008 3.167 ( -3.654 0.000 4.570) 5.851 3.250 ( -1.853 0.000 3.714) 4.150 3.285 ( 4.875 0.000 -0.428) 4.894 3.359 ( 3.239 0.000 -4.690) 5.699 3.365 ( -4.307 0.000 -0.258) 4.315 3.435 ( 3.709 0.000 -6.798) 7.744 3.448 ( 4.481 0.000 2.131) 4.962 3.655 ( -3.002 0.000 2.235) 3.743 3.719 ( 2.187 0.000 -0.020) 2.187 3.743 ( -0.606 0.000 -1.224) 1.366 3.893 ( -0.146 0.000 -0.624) 0.641 3.957 ( 0.273 0.000 5.842) 5.848 3.974 ( -0.078 0.000 -1.225) 1.227 4.232 ( 0.614 0.000 -3.316) 3.372 4.491 ( 6.950 0.000 -6.334) 9.403 4.575 ( -4.327 0.000 -8.536) 9.570 4.959 ( 6.122 0.000 1.467) 6.295 4.986 ( -0.353 0.000 -14.251) 14.256 5.306 ( 0.812 0.000 -5.839) 5.896 5.365 ( -0.559 0.000 7.018) 7.040 5.513 ( -0.730 0.000 4.381) 4.441 5.986 ( -0.212 0.000 2.942) 2.950 6.361 ( 0.737 0.000 -1.970) 2.104 6.392 ( 0.710 0.000 0.373) 0.802 6.967 ( -0.592 0.000 13.586) 13.599 7.055 ( -0.859 0.000 1.640) 1.851 7.237 ( -0.615 0.000 -5.256) 5.292 7.275 ( 1.004 0.000 -0.284) 1.044 7.425 ( -1.471 0.000 2.226) 2.668 7.563 ( 6.872 0.000 -0.821) 6.921 7.710 ( 0.240 0.000 -9.764) 9.767 7.807 ( -0.393 0.000 6.878) 6.889 8.022 ( -0.704 0.000 -6.905) 6.941 8.146 ( 4.479 0.000 -7.301) 8.565 8.389 ( 1.161 0.000 -8.313) 8.393 8.391 ( 4.322 0.000 8.100) 9.181 8.695 ( -15.446 0.000 10.346) 18.591 9.070 ( 1.539 0.000 -6.964) 7.132 9.407 ( -1.305 0.000 -5.668) 5.817 9.426 ( -0.220 0.000 3.593) 3.600 9.776 ( -0.595 0.000 -5.047) 5.082 10.408 ( -1.069 0.000 8.892) 8.956 10.777 ( -1.420 0.000 10.568) 10.663 11.100 ( 0.302 0.000 -4.820) 4.830 12.161 ( 0.664 0.000 -6.893) 6.925 12.592 ( 0.166 0.000 0.516) 0.542 12.826 ( -0.036 0.000 1.798) 1.798 13.089 ( -0.822 0.000 7.492) 7.537 13.108 ( 0.477 0.000 -1.395) 1.474 13.600 ( 0.079 0.000 -3.827) 3.828 14.179 ( -2.495 0.000 -1.049) 2.707 14.268 ( 3.744 0.000 2.909) 4.741 14.329 ( 4.181 0.000 -12.449) 13.132 14.593 ( 0.565 0.000 -12.617) 12.630 14.870 ( 9.607 0.000 -0.626) 9.627 15.332 ( -0.952 0.000 8.360) 8.414 15.639 ( -0.002 0.000 5.532) 5.532 16.150 ( -5.080 0.000 -0.483) 5.103 16.440 ( -1.041 0.000 0.475) 1.144 16.506 ( -7.884 0.000 11.440) 13.894 17.138 ( 0.508 0.000 -3.734) 3.768 24.637 ( -0.254 0.000 0.150) 0.295 24.709 ( -0.120 0.000 -1.531) 1.535 24.770 ( 0.044 0.000 1.287) 1.288 24.825 ( 0.177 0.000 -0.176) 0.250 26.318 ( -0.682 0.000 1.719) 1.850 26.406 ( 1.296 0.000 0.142) 1.304 26.410 ( -2.320 0.000 -1.036) 2.540 26.569 ( -0.542 0.000 2.515) 2.572 26.881 ( 0.630 0.000 -2.196) 2.284 27.008 ( -0.269 0.000 3.584) 3.595 27.409 ( 0.469 0.000 -5.348) 5.369 27.807 ( 15.389 0.000 -10.129) 18.423 28.728 ( 0.859 0.000 6.492) 6.549 29.311 ( 0.829 0.000 -3.327) 3.429 29.484 ( -11.080 0.000 4.841) 12.091 29.890 ( -0.794 0.000 -0.113) 0.802 ======================= Grid point 48 (19/80) ======================= q-point: (-0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -15.282 0.000 10.171) 18.357 1.121 ( -20.534 0.000 -2.151) 20.646 1.265 ( 5.782 0.000 18.656) 19.531 1.431 ( 10.132 0.000 1.134) 10.195 1.565 ( -10.307 0.000 1.883) 10.478 1.806 ( -5.581 0.000 -7.897) 9.670 1.819 ( -5.795 0.000 -2.199) 6.198 1.852 ( 1.908 0.000 -3.775) 4.230 1.916 ( 0.491 0.000 1.322) 1.410 2.010 ( -0.756 0.000 3.886) 3.959 2.126 ( -2.050 0.000 3.164) 3.770 2.339 ( 0.221 0.000 4.010) 4.016 2.464 ( 4.765 0.000 -1.517) 5.001 2.682 ( -1.387 0.000 -0.143) 1.394 2.778 ( 14.530 0.000 11.993) 18.840 3.010 ( 2.493 0.000 2.949) 3.862 3.015 ( 3.912 0.000 -2.752) 4.783 3.077 ( 2.808 0.000 1.691) 3.278 3.131 ( 0.076 0.000 1.337) 1.339 3.149 ( -0.558 0.000 -1.352) 1.462 3.172 ( -5.690 0.000 5.621) 7.998 3.327 ( 1.079 0.000 -0.261) 1.110 3.366 ( 2.909 0.000 -0.460) 2.945 3.432 ( -2.678 0.000 -8.283) 8.705 3.485 ( 7.134 0.000 -4.889) 8.648 3.553 ( 5.170 0.000 3.847) 6.445 3.582 ( -4.179 0.000 3.661) 5.556 3.730 ( 0.164 0.000 -1.182) 1.193 3.749 ( 0.208 0.000 -0.042) 0.212 3.854 ( -3.444 0.000 0.499) 3.480 3.964 ( -0.439 0.000 4.433) 4.455 3.982 ( 1.005 0.000 -1.623) 1.908 4.221 ( -1.125 0.000 -3.390) 3.572 4.411 ( -9.989 0.000 -11.155) 14.974 4.587 ( 3.949 0.000 -4.169) 5.742 4.976 ( 2.115 0.000 -14.524) 14.677 5.058 ( 3.245 0.000 1.682) 3.656 5.307 ( 0.365 0.000 -6.100) 6.111 5.355 ( -1.485 0.000 6.351) 6.522 5.515 ( 0.037 0.000 5.094) 5.094 5.997 ( 0.806 0.000 2.840) 2.952 6.376 ( 0.937 0.000 -2.520) 2.689 6.402 ( -0.099 0.000 1.626) 1.629 6.973 ( -1.238 0.000 14.284) 14.338 7.042 ( -0.578 0.000 1.972) 2.055 7.184 ( -3.593 0.000 -8.280) 9.026 7.302 ( 1.195 0.000 0.165) 1.206 7.402 ( -0.715 0.000 1.927) 2.056 7.624 ( -7.413 0.000 -10.285) 12.678 7.678 ( 4.134 0.000 2.000) 4.592 7.808 ( -0.720 0.000 6.339) 6.380 7.977 ( -1.963 0.000 -11.772) 11.935 8.190 ( 1.183 0.000 -8.908) 8.986 8.384 ( -0.067 0.000 -8.327) 8.327 8.454 ( -9.120 0.000 7.353) 11.715 8.574 ( 11.352 0.000 16.205) 19.786 9.102 ( 2.222 0.000 -5.496) 5.928 9.378 ( -0.320 0.000 -4.253) 4.265 9.432 ( 0.449 0.000 0.990) 1.087 9.776 ( 1.591 0.000 -5.199) 5.437 10.406 ( -0.592 0.000 8.319) 8.340 10.767 ( -1.277 0.000 10.676) 10.752 11.095 ( 0.116 0.000 -5.147) 5.149 12.163 ( 0.777 0.000 -6.876) 6.920 12.597 ( 0.160 0.000 0.780) 0.797 12.822 ( -0.608 0.000 1.561) 1.675 13.086 ( -0.760 0.000 7.518) 7.557 13.099 ( -0.991 0.000 -1.723) 1.987 13.590 ( -0.454 0.000 -3.510) 3.539 14.116 ( -2.430 0.000 -1.239) 2.728 14.367 ( 3.732 0.000 4.892) 6.153 14.373 ( 2.333 0.000 -9.355) 9.641 14.582 ( 0.826 0.000 -13.330) 13.356 15.039 ( 6.246 0.000 -5.869) 8.570 15.333 ( -0.441 0.000 8.437) 8.449 15.635 ( -1.630 0.000 2.267) 2.792 16.047 ( -3.601 0.000 4.905) 6.085 16.405 ( -4.334 0.000 10.092) 10.983 16.422 ( -0.476 0.000 -0.376) 0.607 17.144 ( 0.704 0.000 -3.326) 3.399 24.638 ( 0.335 0.000 0.213) 0.397 24.704 ( 0.027 0.000 -1.538) 1.539 24.774 ( 0.069 0.000 1.284) 1.286 24.823 ( -0.271 0.000 -0.250) 0.369 26.309 ( -0.460 0.000 1.359) 1.434 26.352 ( -3.125 0.000 -2.793) 4.191 26.421 ( -0.036 0.000 0.808) 0.808 26.556 ( -1.157 0.000 3.517) 3.702 26.887 ( 0.345 0.000 -1.771) 1.804 27.007 ( -0.477 0.000 3.490) 3.522 27.409 ( 0.504 0.000 -5.338) 5.361 28.055 ( 10.104 0.000 -14.536) 17.702 28.786 ( 3.449 0.000 13.033) 13.482 29.267 ( -10.503 0.000 2.796) 10.869 29.313 ( -0.053 0.000 -3.308) 3.309 29.885 ( 0.427 0.000 -0.267) 0.504 ======================= Grid point 49 (20/80) ======================= q-point: (-0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.638 ( -14.116 0.000 17.821) 22.734 0.673 ( -21.082 0.000 10.437) 23.524 1.065 ( -18.230 0.000 33.939) 38.525 1.553 ( 1.782 0.000 -3.304) 3.754 1.616 ( 5.327 0.000 -1.259) 5.474 1.772 ( 1.692 0.000 -2.016) 2.632 1.782 ( 3.397 0.000 -0.766) 3.483 1.956 ( 2.495 0.000 2.222) 3.341 1.962 ( 7.935 0.000 -4.601) 9.172 2.070 ( 6.303 0.000 -0.110) 6.304 2.077 ( -2.028 0.000 3.156) 3.752 2.338 ( -0.461 0.000 6.315) 6.332 2.492 ( -1.013 0.000 -1.024) 1.441 2.657 ( -1.166 0.000 -0.185) 1.180 2.876 ( -2.864 0.000 -6.167) 6.799 2.990 ( -5.565 0.000 0.282) 5.572 3.062 ( -0.915 0.000 5.113) 5.194 3.074 ( 2.327 0.000 1.484) 2.760 3.117 ( -1.230 0.000 -1.595) 2.014 3.131 ( -1.174 0.000 -2.272) 2.557 3.304 ( -5.874 0.000 -8.976) 10.728 3.353 ( -0.241 0.000 -2.345) 2.357 3.362 ( 5.976 0.000 2.248) 6.385 3.466 ( 13.038 0.000 4.755) 13.878 3.518 ( -1.065 0.000 4.285) 4.416 3.592 ( 0.805 0.000 -2.553) 2.677 3.631 ( -0.265 0.000 -1.602) 1.624 3.691 ( -3.884 0.000 4.430) 5.891 3.772 ( 4.452 0.000 2.452) 5.082 3.799 ( -1.224 0.000 -0.630) 1.377 3.960 ( -0.608 0.000 2.928) 2.991 4.006 ( 1.333 0.000 -3.008) 3.290 4.119 ( -15.681 0.000 -8.902) 18.031 4.193 ( -0.405 0.000 -3.795) 3.816 4.654 ( 3.435 0.000 -5.287) 6.305 5.009 ( 3.171 0.000 -14.863) 15.197 5.087 ( -2.438 0.000 -2.212) 3.292 5.301 ( 0.294 0.000 -7.149) 7.155 5.341 ( -0.390 0.000 6.667) 6.678 5.528 ( 0.051 0.000 6.569) 6.569 6.030 ( 1.998 0.000 1.929) 2.777 6.384 ( 0.061 0.000 -2.258) 2.259 6.394 ( -0.689 0.000 -0.037) 0.690 6.963 ( -20.143 0.000 -22.260) 30.020 6.973 ( -1.158 0.000 14.741) 14.786 7.042 ( 0.182 0.000 3.088) 3.094 7.307 ( -0.767 0.000 0.955) 1.225 7.392 ( -9.138 0.000 -7.844) 12.042 7.413 ( 1.281 0.000 0.923) 1.579 7.741 ( 0.912 0.000 3.454) 3.573 7.802 ( -0.874 0.000 6.058) 6.121 7.905 ( -1.995 0.000 -10.920) 11.100 8.172 ( -1.088 0.000 -7.797) 7.872 8.348 ( -2.850 0.000 6.883) 7.450 8.365 ( 0.009 0.000 -8.875) 8.875 8.929 ( 19.491 0.000 18.943) 27.180 9.119 ( 0.361 0.000 -6.808) 6.817 9.384 ( 1.067 0.000 0.894) 1.392 9.446 ( 0.969 0.000 -2.407) 2.594 9.848 ( 7.361 0.000 -0.796) 7.404 10.413 ( -0.368 0.000 8.406) 8.415 10.767 ( -0.713 0.000 11.214) 11.236 11.089 ( 0.289 0.000 -5.068) 5.077 12.165 ( 0.561 0.000 -6.865) 6.888 12.600 ( -0.014 0.000 0.669) 0.669 12.812 ( -0.532 0.000 1.569) 1.657 13.072 ( -1.002 0.000 -1.623) 1.908 13.083 ( -1.070 0.000 7.698) 7.772 13.554 ( -2.845 0.000 -5.264) 5.983 14.083 ( -0.664 0.000 0.110) 0.673 14.406 ( 2.618 0.000 -5.357) 5.963 14.412 ( -0.154 0.000 1.224) 1.234 14.585 ( 1.750 0.000 -11.963) 12.090 14.945 ( -18.853 0.000 -28.855) 34.468 15.342 ( -0.385 0.000 8.632) 8.641 15.590 ( -0.994 0.000 2.588) 2.772 16.158 ( 14.728 0.000 21.340) 25.929 16.361 ( -0.541 0.000 11.486) 11.499 16.424 ( 0.661 0.000 0.106) 0.670 17.150 ( 0.384 0.000 -3.193) 3.216 24.648 ( 0.536 0.000 0.263) 0.597 24.705 ( 0.294 0.000 -1.363) 1.394 24.776 ( -0.130 0.000 1.152) 1.159 24.816 ( -0.318 0.000 -0.137) 0.346 26.257 ( -5.749 0.000 -3.425) 6.692 26.306 ( 0.035 0.000 1.187) 1.187 26.408 ( -1.181 0.000 0.679) 1.362 26.536 ( -1.359 0.000 2.993) 3.287 26.892 ( 0.467 0.000 -0.938) 1.047 27.003 ( -0.434 0.000 3.224) 3.254 27.410 ( 0.503 0.000 -5.341) 5.364 28.052 ( -11.637 0.000 -33.973) 35.910 28.840 ( -5.637 0.000 5.141) 7.629 29.233 ( 14.611 0.000 26.238) 30.032 29.300 ( -0.368 0.000 -3.828) 3.846 29.902 ( 0.975 0.000 0.473) 1.084 ======================= Grid point 50 (21/80) ======================= q-point: ( 0.00 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.659 14.267 14.930) 20.661 0.766 ( 1.169 19.278 17.507) 26.067 1.331 ( 1.404 28.158 26.160) 38.461 1.619 ( -2.492 3.122 -4.409) 5.949 1.743 ( 4.965 2.531 -0.999) 5.662 1.841 ( 6.393 9.529 2.111) 11.667 1.873 ( 0.288 1.496 3.420) 3.744 1.997 ( -1.200 2.064 1.056) 2.611 2.021 ( 0.254 -1.080 1.057) 1.532 2.103 ( 0.360 3.175 -1.446) 3.507 2.246 ( -5.856 3.013 10.079) 12.040 2.304 ( 4.871 5.228 -1.881) 7.389 2.487 ( -3.885 3.084 3.733) 6.208 2.633 ( 0.897 -0.162 0.913) 1.290 2.841 ( 3.681 0.038 -1.887) 4.136 2.917 ( -2.420 2.173 0.900) 3.375 3.024 ( -1.379 -3.097 -4.518) 5.648 3.043 ( -1.990 0.294 -3.635) 4.155 3.097 ( 0.148 -0.307 0.968) 1.027 3.156 ( 1.181 1.751 -1.487) 2.583 3.212 ( -1.072 1.790 -3.257) 3.868 3.292 ( 0.008 -0.411 -3.185) 3.211 3.420 ( -1.086 -1.545 -1.741) 2.568 3.450 ( -5.210 2.600 -1.874) 6.117 3.563 ( -4.701 2.032 0.394) 5.137 3.590 ( 1.292 1.982 1.712) 2.920 3.710 ( -1.243 0.436 0.441) 1.389 3.750 ( -5.694 0.471 -1.895) 6.019 3.774 ( 0.148 -3.488 -0.221) 3.498 3.902 ( 6.743 5.014 3.962) 9.290 3.953 ( 0.204 5.341 -3.725) 6.515 4.028 ( 3.831 4.450 1.203) 5.994 4.111 ( -0.626 9.313 -4.269) 10.264 4.244 ( 1.861 4.950 -4.256) 6.788 4.633 ( -6.250 -5.310 -1.659) 8.367 4.765 ( -1.605 0.513 0.993) 1.955 5.115 ( 1.345 6.936 -12.545) 14.398 5.276 ( -0.787 -2.030 -2.762) 3.517 5.327 ( 0.993 -1.660 1.202) 2.277 5.617 ( -1.091 2.794 6.494) 7.153 6.092 ( -1.507 6.441 2.604) 7.109 6.345 ( 0.154 -3.069 -5.564) 6.356 6.421 ( -3.043 1.675 -3.301) 4.792 6.650 ( 11.867 -3.306 -3.670) 12.854 6.879 ( -1.404 -4.516 13.522) 14.325 7.052 ( -1.585 -2.952 -0.898) 3.469 7.236 ( -0.209 -4.560 -0.771) 4.630 7.458 ( 2.348 5.007 0.639) 5.567 7.471 ( 1.224 4.824 1.586) 5.224 7.730 ( 0.617 0.339 0.083) 0.709 7.793 ( -4.295 2.356 0.545) 4.929 7.993 ( 1.717 0.994 -2.962) 3.565 8.158 ( 0.561 5.344 -6.736) 8.617 8.296 ( 0.160 -2.603 0.851) 2.743 8.387 ( -0.144 2.234 -5.198) 5.659 8.864 ( 1.775 -20.148 11.212) 23.126 9.161 ( -0.329 0.363 -4.031) 4.060 9.409 ( -0.010 -1.943 -0.406) 1.985 9.453 ( 0.593 0.429 0.108) 0.740 9.847 ( 0.016 -5.986 -0.557) 6.012 10.385 ( -1.096 -3.249 8.116) 8.811 10.739 ( -0.129 -8.276 7.550) 11.203 11.181 ( -0.102 9.345 -3.873) 10.116 12.094 ( 0.529 -5.539 -5.707) 7.971 12.556 ( -0.021 -3.010 -0.222) 3.019 12.978 ( -1.400 -6.632 4.844) 8.331 13.095 ( 1.482 9.250 -3.592) 10.033 13.163 ( 0.770 11.975 -4.192) 12.711 13.524 ( 1.741 3.993 -5.605) 7.099 14.090 ( 1.584 -0.522 0.450) 1.727 14.246 ( -6.444 -10.060 -4.566) 12.790 14.266 ( -3.627 -5.265 -2.351) 6.812 14.424 ( -3.030 0.225 1.480) 3.380 14.714 ( 3.040 5.637 -8.912) 10.975 15.333 ( -0.676 -1.311 8.315) 8.444 15.592 ( 0.704 -1.631 4.540) 4.875 16.265 ( -0.506 -2.243 5.714) 6.160 16.359 ( 5.723 -13.424 20.142) 24.873 16.493 ( 2.115 1.082 2.002) 3.107 17.146 ( -0.306 -1.424 -2.525) 2.915 24.646 ( -0.085 -0.602 0.207) 0.642 24.716 ( 0.338 -0.426 -1.642) 1.730 24.790 ( -0.329 0.991 0.789) 1.309 24.830 ( 0.112 1.655 -0.444) 1.717 26.190 ( 3.001 -2.163 2.198) 4.303 26.333 ( 0.049 1.300 1.193) 1.765 26.447 ( 2.563 1.062 -1.572) 3.189 26.485 ( -1.737 -1.684 2.474) 3.460 26.855 ( 0.752 -2.499 0.273) 2.624 27.117 ( 0.144 -2.974 -0.904) 3.111 27.372 ( -0.572 10.230 -11.933) 15.728 27.671 ( -10.908 10.979 -6.722) 16.873 28.747 ( -2.203 1.509 4.842) 5.529 29.265 ( 0.217 -2.563 -3.675) 4.486 29.439 ( 8.018 -11.318 20.536) 24.782 29.932 ( 0.092 -2.859 -0.873) 2.991 ======================= Grid point 51 (22/80) ======================= q-point: ( 0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 8.976 12.157 11.512) 18.997 0.933 ( 10.622 17.796 13.372) 24.664 1.580 ( 15.698 12.297 20.445) 28.559 1.635 ( 3.491 -0.850 -2.410) 4.326 1.719 ( -8.243 3.527 0.023) 8.966 1.850 ( -0.609 1.810 -1.333) 2.329 1.941 ( -10.965 5.888 6.153) 13.884 1.990 ( -0.952 4.351 4.536) 6.357 2.006 ( 2.782 6.288 5.212) 8.628 2.078 ( 1.572 6.951 0.186) 7.129 2.145 ( 3.216 -1.714 5.387) 6.504 2.310 ( -7.498 5.119 4.858) 10.297 2.438 ( -1.501 1.809 -5.632) 6.103 2.644 ( -1.627 2.376 -1.673) 3.330 2.796 ( -0.770 4.710 -2.236) 5.271 2.926 ( -1.792 -1.205 -3.982) 4.530 3.016 ( 2.332 -0.948 -2.962) 3.887 3.050 ( 1.919 -3.171 0.717) 3.776 3.130 ( 2.189 -3.090 0.408) 3.809 3.206 ( 1.580 -2.308 2.634) 3.842 3.212 ( 2.249 3.188 -8.168) 9.052 3.296 ( 1.115 1.077 -1.804) 2.379 3.340 ( -2.617 1.935 -4.466) 5.526 3.415 ( -3.307 -0.714 2.137) 4.001 3.499 ( -0.244 5.853 -0.418) 5.873 3.539 ( -9.493 3.951 -0.374) 10.289 3.622 ( 0.511 0.719 1.057) 1.377 3.722 ( -1.193 -0.113 -0.156) 1.208 3.801 ( 1.419 0.349 1.692) 2.236 3.813 ( -3.123 1.753 -1.355) 3.829 4.023 ( -1.596 8.199 0.068) 8.353 4.064 ( 1.353 3.343 1.168) 3.791 4.243 ( 11.990 -2.417 -3.432) 12.704 4.267 ( 1.486 5.319 -2.810) 6.196 4.572 ( -0.384 -4.250 -3.656) 5.620 4.834 ( 5.379 1.517 0.877) 5.657 5.096 ( -0.660 7.139 -13.536) 15.317 5.257 ( -0.962 -2.135 3.405) 4.132 5.338 ( 0.339 -1.416 -2.869) 3.217 5.609 ( -0.497 3.474 5.562) 6.576 6.079 ( -0.351 7.777 2.145) 8.075 6.331 ( -0.172 -2.597 -2.943) 3.929 6.398 ( 0.514 1.434 -2.117) 2.608 6.859 ( -0.036 -3.559 12.886) 13.368 6.953 ( 5.363 -10.533 -0.111) 11.821 7.082 ( 7.209 -5.068 -5.811) 10.555 7.237 ( 0.351 -7.413 -1.424) 7.557 7.466 ( -0.047 6.640 -2.342) 7.042 7.554 ( 5.179 4.277 -0.329) 6.725 7.724 ( -2.385 0.351 3.040) 3.880 7.765 ( 2.543 1.276 -0.885) 2.980 8.025 ( 1.738 0.280 -3.218) 3.668 8.163 ( 1.282 6.694 -6.741) 9.587 8.304 ( 0.410 -2.708 3.148) 4.173 8.384 ( 0.885 1.169 -6.613) 6.774 8.807 ( -8.534 -14.946 10.727) 20.280 9.121 ( -1.580 1.936 -6.162) 6.649 9.403 ( -0.222 -2.499 -3.469) 4.282 9.445 ( -1.311 0.683 2.743) 3.116 9.811 ( -1.988 -2.055 -2.478) 3.783 10.383 ( -0.643 -2.937 7.982) 8.530 10.729 ( -1.726 -6.880 8.234) 10.868 11.170 ( 0.031 7.900 -3.086) 8.481 12.096 ( 0.631 -5.584 -5.991) 8.214 12.557 ( 0.112 -2.859 0.298) 2.877 12.955 ( -1.203 -0.106 2.087) 2.411 13.058 ( -3.336 6.628 3.305) 8.123 13.149 ( 0.526 5.195 0.149) 5.224 13.605 ( 3.219 2.462 -8.038) 9.002 14.118 ( 2.222 -2.481 1.242) 3.554 14.163 ( 1.124 -6.335 -6.275) 8.987 14.340 ( -1.773 3.079 -2.357) 4.264 14.427 ( 8.782 -9.922 -7.113) 15.039 14.772 ( 3.876 4.870 -4.999) 7.983 15.328 ( -1.168 -1.221 7.943) 8.121 15.609 ( 0.067 -1.923 5.051) 5.405 16.225 ( -3.179 -0.698 2.953) 4.394 16.439 ( -0.399 -8.286 12.137) 14.701 16.513 ( -1.902 -3.383 5.603) 6.816 17.130 ( -0.382 -1.383 -3.214) 3.520 24.640 ( -0.447 -0.433 0.127) 0.635 24.712 ( -0.259 -0.362 -1.260) 1.336 24.782 ( -0.432 1.043 0.861) 1.420 24.832 ( 0.215 1.272 -0.262) 1.317 26.266 ( 2.204 -5.046 1.101) 5.615 26.342 ( 0.554 -1.170 0.525) 1.396 26.445 ( -1.707 -1.306 0.934) 2.343 26.520 ( 2.610 -0.740 1.968) 3.351 26.829 ( -2.082 -1.665 2.298) 3.519 27.219 ( 7.152 -8.289 -7.032) 13.012 27.315 ( -1.719 17.077 -8.266) 19.050 27.634 ( 6.588 9.417 -4.449) 12.324 28.732 ( -0.307 1.870 4.300) 4.699 29.270 ( 0.844 -2.602 -3.251) 4.249 29.527 ( -2.361 -10.187 12.921) 16.622 29.898 ( -2.387 -2.683 -0.384) 3.612 ======================= Grid point 52 (23/80) ======================= q-point: ( 0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.997 ( 11.721 5.368 5.927) 14.189 1.189 ( 9.276 14.875 9.101) 19.752 1.488 ( -9.993 5.429 3.928) 12.032 1.628 ( -15.456 7.223 11.439) 20.541 1.678 ( -2.426 0.829 -4.823) 5.462 1.770 ( 1.889 -4.294 0.572) 4.726 1.892 ( -3.755 2.179 -0.299) 4.352 1.992 ( 0.442 -0.310 -2.138) 2.205 2.085 ( -1.741 4.816 0.700) 5.169 2.100 ( 1.756 4.379 7.516) 8.874 2.174 ( -1.024 8.095 9.517) 12.536 2.273 ( 6.348 6.066 1.979) 9.000 2.393 ( -0.403 4.049 -5.442) 6.795 2.546 ( -2.872 1.465 0.904) 3.349 2.869 ( 6.704 5.102 -0.208) 8.427 2.907 ( 0.880 1.997 -0.045) 2.183 3.026 ( -1.146 0.059 -1.739) 2.083 3.085 ( -0.283 -1.486 1.846) 2.386 3.135 ( -1.549 0.300 -2.226) 2.729 3.182 ( -7.049 3.835 3.265) 8.663 3.243 ( 0.457 -2.996 1.795) 3.523 3.255 ( 0.910 0.141 1.649) 1.888 3.338 ( 0.645 -0.692 -3.783) 3.899 3.368 ( 4.704 0.832 -6.289) 7.898 3.485 ( 2.210 2.768 1.438) 3.823 3.535 ( 2.166 5.587 1.420) 6.158 3.655 ( 1.910 1.995 -1.909) 3.357 3.684 ( -2.368 1.112 1.039) 2.815 3.748 ( -1.548 -1.356 0.699) 2.173 3.867 ( 2.545 1.367 1.868) 3.440 4.002 ( -0.679 3.638 -0.113) 3.703 4.073 ( -0.985 5.299 1.243) 5.532 4.271 ( -0.076 4.091 -3.109) 5.139 4.427 ( 4.667 -6.159 -6.321) 9.983 4.541 ( -1.006 -1.378 -4.560) 4.868 4.938 ( 3.618 -1.443 1.268) 4.096 5.056 ( -0.238 6.922 -13.588) 15.252 5.251 ( -0.460 -2.572 6.320) 6.838 5.330 ( -0.403 -2.102 -4.419) 4.910 5.616 ( 0.119 4.738 4.514) 6.545 6.079 ( 0.048 8.272 1.636) 8.433 6.330 ( 0.433 -2.848 -2.088) 3.558 6.412 ( 0.886 1.647 -0.465) 1.927 6.872 ( -0.722 -3.820 13.925) 14.457 6.968 ( -1.034 -8.721 -1.107) 8.852 7.196 ( 1.542 -0.970 0.832) 2.002 7.258 ( 2.738 -10.014 -1.756) 10.529 7.449 ( -1.433 4.011 -0.127) 4.261 7.633 ( 1.057 -2.533 -7.094) 7.607 7.702 ( 0.677 4.956 0.181) 5.005 7.829 ( 3.195 2.336 0.931) 4.066 8.045 ( 0.911 1.715 -6.008) 6.313 8.180 ( 1.210 4.130 -7.186) 8.376 8.344 ( 3.139 -3.705 6.591) 8.187 8.388 ( 0.160 -0.459 -4.648) 4.673 8.610 ( -10.615 -6.408 8.956) 15.296 9.104 ( 1.147 2.411 -7.242) 7.719 9.389 ( -0.153 -2.344 -6.711) 7.110 9.421 ( -1.414 0.240 4.592) 4.810 9.781 ( -0.248 -0.170 -5.035) 5.044 10.385 ( -0.529 -2.115 7.814) 8.113 10.709 ( -1.577 -6.410 8.181) 10.512 11.170 ( 0.340 6.910 -2.855) 7.484 12.097 ( 0.560 -5.645 -6.242) 8.434 12.560 ( 0.080 -2.796 0.832) 2.919 12.945 ( 0.045 6.186 0.789) 6.236 13.016 ( -1.972 -2.364 7.626) 8.224 13.160 ( 0.210 4.183 -0.468) 4.214 13.622 ( 0.418 2.827 -5.730) 6.403 14.153 ( -1.489 -4.424 -4.740) 6.652 14.178 ( 2.569 -7.440 -3.611) 8.660 14.319 ( 1.456 0.478 1.597) 2.213 14.577 ( 6.229 -3.024 -13.359) 15.047 14.857 ( 4.599 -0.315 -1.455) 4.834 15.318 ( -1.076 -1.449 7.536) 7.749 15.613 ( -0.605 -2.722 4.647) 5.419 16.149 ( -4.507 0.278 1.995) 4.937 16.418 ( -3.466 -6.369 12.587) 14.526 16.471 ( -1.687 2.451 0.782) 3.077 17.125 ( 0.481 -1.410 -3.384) 3.698 24.633 ( -0.180 -0.233 0.107) 0.313 24.704 ( -0.260 -0.553 -1.339) 1.472 24.779 ( 0.012 0.943 1.043) 1.406 24.836 ( 0.100 0.921 -0.248) 0.959 26.283 ( -0.357 -3.082 0.699) 3.180 26.353 ( 0.304 -4.088 -0.655) 4.152 26.418 ( -0.913 0.501 1.155) 1.556 26.549 ( -0.120 -1.341 4.674) 4.864 26.809 ( -0.447 -2.090 2.676) 3.425 27.252 ( -0.959 10.884 -8.200) 13.661 27.329 ( 2.597 -2.423 -4.118) 5.439 27.825 ( 10.861 2.567 -7.306) 13.339 28.745 ( 0.673 1.715 6.070) 6.343 29.281 ( 0.574 -2.691 -2.372) 3.633 29.432 ( -7.453 -3.469 6.720) 10.618 29.863 ( -0.832 -2.741 -0.001) 2.865 ======================= Grid point 53 (24/80) ======================= q-point: (-0.40 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.035 ( -13.116 5.992 9.403) 17.215 1.171 ( -12.033 6.032 -1.286) 13.522 1.420 ( 3.981 13.791 17.548) 22.671 1.576 ( 8.892 10.405 0.353) 13.692 1.607 ( -2.927 4.406 1.855) 5.605 1.783 ( -6.130 2.306 -0.643) 6.581 1.803 ( -0.134 -1.037 -6.342) 6.427 1.889 ( -1.786 3.453 -1.315) 4.104 2.042 ( -4.179 3.598 2.834) 6.200 2.055 ( -1.944 3.952 2.009) 4.841 2.121 ( -3.250 6.371 -0.187) 7.154 2.340 ( -0.099 0.361 4.753) 4.768 2.469 ( 5.608 -0.328 -1.323) 5.771 2.644 ( 3.990 1.769 1.918) 4.767 2.890 ( -2.454 1.644 1.354) 3.249 2.984 ( 1.419 0.045 -2.884) 3.215 3.042 ( 2.359 2.956 1.054) 3.926 3.077 ( -0.205 -2.510 5.455) 6.009 3.120 ( 0.168 -0.205 -1.129) 1.160 3.146 ( 3.755 0.853 0.361) 3.867 3.237 ( 2.790 7.039 7.747) 10.833 3.281 ( 1.008 -0.550 0.702) 1.346 3.357 ( 0.593 -2.884 -5.799) 6.504 3.441 ( 3.331 -1.911 -2.438) 4.549 3.557 ( 0.789 6.197 -1.282) 6.377 3.586 ( 2.815 4.190 2.093) 5.464 3.625 ( -2.552 2.260 2.032) 3.968 3.681 ( 2.515 1.276 -1.626) 3.256 3.762 ( 1.313 0.554 2.760) 3.106 3.908 ( 0.946 3.858 2.010) 4.452 3.980 ( -1.832 1.739 0.808) 2.652 4.034 ( -1.835 4.253 -1.783) 4.964 4.247 ( -1.390 2.732 -3.925) 4.980 4.360 ( -7.703 -4.241 -8.653) 12.337 4.578 ( 3.483 -0.320 -3.227) 4.759 4.978 ( 0.104 -4.689 2.033) 5.112 5.052 ( 2.208 6.354 -12.811) 14.469 5.262 ( 0.271 -2.694 7.068) 7.568 5.309 ( -0.535 -2.127 -6.236) 6.611 5.625 ( -0.263 5.056 4.899) 7.045 6.089 ( 0.532 7.995 1.668) 8.185 6.337 ( 0.459 -3.567 -2.195) 4.214 6.425 ( 0.325 1.893 0.306) 1.945 6.874 ( -1.703 -4.781 10.422) 11.592 6.931 ( -2.563 -8.791 0.455) 9.169 7.192 ( -1.107 -2.457 0.087) 2.697 7.320 ( 2.738 -3.824 0.854) 4.780 7.402 ( -3.640 -0.825 0.432) 3.757 7.568 ( -4.867 -0.676 -7.421) 8.901 7.725 ( 0.865 3.222 -2.949) 4.452 7.882 ( 1.365 5.161 3.221) 6.235 8.032 ( -1.002 2.391 -10.466) 10.782 8.176 ( -0.153 1.446 -7.593) 7.731 8.343 ( -3.135 -4.019 0.395) 5.112 8.451 ( -1.660 -1.136 1.196) 2.340 8.496 ( 5.510 -4.408 12.843) 14.654 9.131 ( 2.244 2.133 -6.304) 7.023 9.382 ( 1.014 -0.600 -5.900) 6.016 9.409 ( -0.463 -1.183 3.265) 3.503 9.780 ( 1.151 -0.137 -5.335) 5.459 10.390 ( -0.399 -1.745 7.556) 7.765 10.698 ( -0.844 -6.445 8.127) 10.407 11.172 ( 0.378 7.274 -2.859) 7.825 12.097 ( 0.538 -5.771 -6.193) 8.482 12.562 ( -0.084 -2.943 0.741) 3.036 12.958 ( 1.196 11.426 -0.077) 11.489 12.999 ( -1.118 -7.534 8.344) 11.297 13.152 ( -0.785 4.324 -0.596) 4.435 13.614 ( -0.268 2.946 -5.454) 6.204 14.104 ( -2.045 -1.703 -1.762) 3.192 14.199 ( 1.003 -11.677 -7.623) 13.981 14.390 ( 3.493 0.090 4.553) 5.739 14.640 ( 2.771 1.645 -13.245) 13.631 14.917 ( -0.124 -8.831 -3.755) 9.598 15.315 ( -0.581 -1.796 7.560) 7.792 15.595 ( -1.778 -3.311 2.542) 4.538 16.071 ( -2.760 2.238 6.792) 7.665 16.367 ( -3.243 -3.225 10.220) 11.196 16.452 ( -0.311 3.023 -0.259) 3.050 17.134 ( 0.868 -1.289 -2.919) 3.306 24.634 ( 0.268 -0.258 0.167) 0.408 24.698 ( 0.038 -0.635 -1.391) 1.530 24.784 ( 0.227 1.005 1.075) 1.490 24.835 ( -0.152 0.953 -0.308) 1.013 26.259 ( -1.988 -3.744 -0.466) 4.265 26.348 ( -0.590 -1.020 0.469) 1.268 26.412 ( 0.095 -0.465 0.163) 0.502 26.542 ( -1.310 -1.176 4.981) 5.283 26.811 ( 0.119 -2.439 2.603) 3.569 27.212 ( -1.597 8.858 -5.283) 10.437 27.361 ( 1.611 -0.690 -5.717) 5.980 27.997 ( 6.101 -3.209 -10.297) 12.391 28.784 ( 1.498 0.409 10.102) 10.221 29.261 ( -5.354 0.217 5.086) 7.387 29.296 ( -2.555 -1.575 -2.221) 3.734 29.866 ( 1.118 -2.233 -0.059) 2.498 ======================= Grid point 54 (25/80) ======================= q-point: (-0.20 0.12 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.752 ( -14.289 9.416 11.783) 20.777 0.862 ( -13.066 15.426 12.072) 23.546 1.400 ( -10.088 27.460 19.860) 35.359 1.640 ( 2.762 7.445 -1.058) 8.011 1.689 ( 7.809 2.801 1.740) 8.477 1.725 ( -2.923 2.732 -5.143) 6.516 1.841 ( 2.692 2.722 1.191) 4.010 1.954 ( 8.325 1.311 -5.711) 10.181 2.008 ( 0.261 2.899 1.352) 3.210 2.055 ( 0.071 -0.773 3.437) 3.524 2.123 ( 4.947 5.967 0.806) 7.793 2.345 ( -1.354 0.813 8.330) 8.479 2.529 ( 0.571 1.576 -0.763) 1.842 2.626 ( -2.052 0.561 0.093) 2.129 2.849 ( -2.982 -1.625 -2.322) 4.114 2.998 ( -3.864 0.087 1.825) 4.275 3.027 ( 1.719 -3.080 0.036) 3.527 3.066 ( -0.148 0.200 2.708) 2.720 3.109 ( -0.904 0.181 -1.268) 1.568 3.161 ( -0.916 2.458 -0.759) 2.730 3.288 ( -0.876 -1.142 -2.551) 2.929 3.298 ( -2.872 -0.313 -6.971) 7.546 3.452 ( 0.006 1.721 1.395) 2.215 3.506 ( 5.114 -1.322 0.205) 5.286 3.540 ( -0.457 2.035 1.716) 2.701 3.614 ( 6.704 9.779 2.146) 12.050 3.675 ( 4.758 -0.873 1.666) 5.116 3.694 ( -4.243 2.346 2.047) 5.263 3.782 ( 1.154 1.730 1.897) 2.814 3.899 ( -2.913 2.042 -5.600) 6.635 3.954 ( 0.543 2.050 5.539) 5.931 4.046 ( 3.078 6.702 -2.814) 7.894 4.129 ( -10.584 1.501 -6.201) 12.358 4.227 ( 0.041 3.423 -4.314) 5.507 4.640 ( 3.077 -0.771 -4.520) 5.522 4.930 ( -6.410 -8.005 2.536) 10.564 5.089 ( 3.088 6.360 -11.981) 13.912 5.287 ( 1.215 -3.081 -3.369) 4.725 5.295 ( 0.298 -1.265 1.559) 2.029 5.624 ( -0.756 3.988 6.222) 7.429 6.104 ( 0.352 6.719 1.968) 7.010 6.340 ( 0.531 -3.806 -3.493) 5.193 6.432 ( 0.759 2.458 -0.666) 2.658 6.762 ( -11.381 -10.738 -9.121) 18.112 6.891 ( -2.103 -3.427 13.731) 14.307 7.134 ( -5.140 -0.721 -2.426) 5.729 7.272 ( -4.336 -6.379 -3.712) 8.560 7.391 ( 2.546 0.217 6.127) 6.639 7.481 ( -1.523 6.710 -4.167) 8.044 7.727 ( -0.047 1.380 -1.108) 1.771 7.880 ( -3.050 5.141 3.098) 6.733 7.982 ( -0.401 0.288 -9.433) 9.445 8.162 ( 0.215 2.760 -6.745) 7.291 8.300 ( -0.993 -3.044 1.516) 3.543 8.408 ( -1.138 2.496 -3.891) 4.761 8.706 ( 9.329 -14.130 16.702) 23.783 9.156 ( 1.204 1.955 -5.872) 6.305 9.406 ( 0.285 0.383 3.086) 3.123 9.420 ( 2.277 -1.655 -4.021) 4.909 9.811 ( 2.547 -2.125 -3.166) 4.585 10.393 ( -0.832 -2.486 7.629) 8.067 10.711 ( 0.679 -6.883 8.109) 10.658 11.178 ( 0.749 8.584 -3.164) 9.179 12.096 ( 0.429 -5.830 -5.927) 8.325 12.559 ( -0.247 -3.131 0.162) 3.145 12.989 ( -0.658 -4.787 8.687) 9.941 13.016 ( 4.381 11.613 -4.581) 13.230 13.137 ( -0.256 5.042 0.993) 5.145 13.580 ( -2.308 3.189 -6.483) 7.584 14.075 ( -0.435 -0.986 0.010) 1.077 14.210 ( 1.671 -12.736 -7.454) 14.851 14.441 ( 0.226 -0.079 3.400) 3.408 14.652 ( -2.446 -3.178 -10.981) 11.690 14.739 ( -13.894 -7.061 -11.742) 19.514 15.324 ( -0.049 -1.642 8.401) 8.560 15.573 ( -0.150 -1.721 3.212) 3.647 16.117 ( 5.866 -1.336 18.180) 19.150 16.326 ( -2.383 -2.228 8.846) 9.428 16.459 ( 1.021 3.311 0.039) 3.465 17.146 ( 0.640 -1.174 -2.491) 2.827 24.642 ( 0.370 -0.449 0.225) 0.624 24.704 ( 0.759 -0.499 -1.365) 1.640 24.790 ( 0.100 1.151 0.934) 1.485 24.830 ( -0.131 1.326 -0.371) 1.383 26.202 ( -3.026 -2.929 -0.370) 4.228 26.337 ( -0.594 1.917 1.582) 2.556 26.419 ( 0.697 -0.527 -1.230) 1.508 26.517 ( -1.798 -1.561 3.993) 4.649 26.825 ( 0.961 -2.431 1.998) 3.290 27.164 ( -2.453 3.658 -2.889) 5.267 27.378 ( 1.188 2.646 -7.866) 8.383 27.965 ( -8.516 -3.620 -17.423) 19.728 28.801 ( -2.812 -1.336 7.942) 8.530 29.226 ( 4.272 1.764 18.403) 18.974 29.274 ( -0.407 -2.609 -3.413) 4.315 29.902 ( 2.163 -1.821 -0.257) 2.839 ======================= Grid point 55 (26/80) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( 2.481 15.457 7.115) 17.196 1.156 ( 1.345 18.567 12.981) 22.695 1.678 ( -3.698 4.840 -0.677) 6.128 1.727 ( -0.471 4.575 -1.188) 4.750 1.793 ( 2.768 2.776 -1.904) 4.358 1.883 ( -1.140 0.598 8.175) 8.275 2.011 ( 1.456 2.825 -0.816) 3.281 2.099 ( -1.495 7.860 2.321) 8.331 2.136 ( 5.495 11.763 0.899) 13.014 2.205 ( 3.082 9.732 0.961) 10.253 2.357 ( -0.708 8.180 10.211) 13.103 2.408 ( 3.034 4.402 -4.656) 7.089 2.563 ( -5.184 4.130 5.055) 8.336 2.676 ( 5.355 4.431 5.223) 8.694 2.843 ( 2.406 -0.080 -2.465) 3.445 2.927 ( -2.550 -0.981 1.336) 3.042 3.007 ( -2.961 1.295 -2.946) 4.373 3.066 ( -2.865 2.170 -0.516) 3.631 3.124 ( 0.171 3.033 -0.253) 3.048 3.182 ( -1.276 1.587 1.057) 2.294 3.202 ( -1.927 -1.947 -4.033) 4.876 3.313 ( 0.977 -0.539 1.335) 1.740 3.387 ( -3.576 0.224 -7.022) 7.883 3.509 ( -1.040 2.625 0.424) 2.855 3.563 ( 0.074 -0.364 -0.989) 1.056 3.601 ( 0.170 -1.062 3.478) 3.640 3.645 ( -2.899 -4.370 -2.306) 5.728 3.721 ( 0.385 -1.183 4.174) 4.356 3.817 ( -2.112 3.941 -4.575) 6.397 3.975 ( 1.957 1.974 2.425) 3.689 4.071 ( -1.809 2.512 -0.860) 3.213 4.144 ( 3.555 8.342 0.199) 9.070 4.309 ( -1.218 10.335 -6.300) 12.165 4.404 ( 3.182 11.001 -3.680) 12.029 4.586 ( -6.205 2.476 0.927) 6.745 4.807 ( 1.750 3.086 1.039) 3.697 5.193 ( 2.809 -1.802 -1.072) 3.505 5.241 ( 1.830 -1.200 -4.308) 4.832 5.370 ( -0.391 7.453 -5.322) 9.166 5.584 ( -1.482 -5.543 4.573) 7.337 6.233 ( -0.043 5.278 2.003) 5.645 6.299 ( -0.042 0.858 -2.226) 2.386 6.446 ( -1.453 2.108 -4.010) 4.758 6.591 ( 6.500 -2.326 -3.430) 7.709 6.848 ( -1.933 0.101 10.677) 10.851 6.950 ( -2.763 -6.365 -0.339) 6.948 7.120 ( -0.677 -6.030 -0.679) 6.106 7.432 ( 1.648 -6.032 11.631) 13.205 7.547 ( 0.930 1.788 -2.077) 2.894 7.786 ( -2.295 -2.539 -0.467) 3.454 7.839 ( -0.156 7.983 -4.652) 9.241 7.984 ( 1.718 0.575 -2.895) 3.415 8.230 ( 0.431 -3.578 2.048) 4.145 8.261 ( 0.460 3.315 -1.794) 3.797 8.448 ( -0.401 2.952 -3.749) 4.789 8.573 ( 1.079 -9.351 6.751) 11.584 9.167 ( -0.224 -0.289 -7.655) 7.663 9.354 ( 0.015 -3.232 -3.246) 4.581 9.460 ( 0.476 0.030 2.073) 2.127 9.762 ( 0.241 -4.380 -4.103) 6.006 10.316 ( -0.865 -3.040 5.677) 6.498 10.551 ( -0.111 -9.182 6.314) 11.144 11.384 ( -0.036 10.541 -2.940) 10.944 11.976 ( 0.556 -5.650 -5.338) 7.793 12.485 ( -0.127 -3.752 1.148) 3.926 12.788 ( -1.039 -11.087 8.147) 13.798 13.217 ( 0.349 5.337 -3.483) 6.383 13.404 ( 1.654 9.966 -6.187) 11.846 13.643 ( 0.628 7.389 -5.427) 9.190 13.974 ( 1.975 -11.566 -5.468) 12.945 14.088 ( 1.206 -2.085 -0.181) 2.415 14.202 ( -4.839 -3.290 -0.797) 5.906 14.455 ( -2.994 2.714 1.253) 4.231 14.784 ( 2.651 1.269 -7.618) 8.166 15.300 ( -0.519 -1.696 7.312) 7.524 15.537 ( 0.386 -3.902 4.119) 5.687 16.187 ( 2.147 -2.088 14.877) 15.175 16.265 ( -1.689 -1.164 7.549) 7.823 16.570 ( 0.637 5.423 0.567) 5.490 17.091 ( -0.327 -4.090 -2.098) 4.608 24.639 ( -0.038 -0.122 0.146) 0.194 24.695 ( 0.361 -1.330 -0.709) 1.549 24.817 ( -0.285 1.611 0.156) 1.643 24.858 ( 0.077 1.051 -0.555) 1.191 26.163 ( 0.817 -0.618 1.495) 1.812 26.347 ( -1.973 -1.191 -0.951) 2.493 26.411 ( 1.506 -1.766 2.744) 3.594 26.477 ( 0.248 -0.139 3.212) 3.225 26.819 ( 0.332 -0.945 1.582) 1.872 26.999 ( -1.013 -6.005 1.227) 6.212 27.616 ( 3.105 11.573 -14.765) 19.015 27.855 ( -4.303 7.354 -8.661) 12.150 28.795 ( -1.259 3.381 4.244) 5.570 29.194 ( 0.200 -4.455 -2.567) 5.146 29.369 ( 2.500 1.875 14.427) 14.762 29.836 ( -0.412 -6.190 0.558) 6.229 ======================= Grid point 56 (27/80) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 5.215 13.936 6.778) 16.351 1.279 ( 7.801 16.026 12.098) 21.541 1.625 ( -1.352 1.742 -0.530) 2.268 1.733 ( -4.259 1.726 2.923) 5.447 1.799 ( -0.017 3.107 0.458) 3.140 1.862 ( 0.481 0.501 1.589) 1.734 2.041 ( 0.854 2.244 2.851) 3.727 2.104 ( 0.040 7.482 1.726) 7.679 2.130 ( -1.604 4.245 -0.238) 4.544 2.197 ( -8.196 9.575 5.331) 13.685 2.341 ( 0.074 10.200 9.133) 13.692 2.453 ( 0.046 9.046 -0.590) 9.065 2.494 ( 0.379 7.197 2.468) 7.618 2.728 ( -3.927 4.746 -0.580) 6.187 2.837 ( -2.050 0.651 2.497) 3.295 2.925 ( 1.788 -0.351 -0.446) 1.876 2.977 ( 2.274 -3.542 -2.014) 4.666 3.015 ( -0.714 -0.071 -3.403) 3.478 3.126 ( 1.189 3.763 -3.290) 5.138 3.166 ( 0.141 -1.238 -0.109) 1.251 3.216 ( 3.590 -1.414 -3.879) 5.471 3.317 ( -1.317 -3.074 -2.667) 4.277 3.353 ( 1.274 2.138 0.552) 2.549 3.450 ( -3.507 3.866 -0.672) 5.263 3.543 ( -5.200 -2.743 -1.469) 6.060 3.583 ( 2.133 3.371 0.204) 3.995 3.680 ( 5.749 2.501 1.349) 6.413 3.759 ( -2.050 4.572 -1.761) 5.311 3.790 ( 2.467 1.662 2.337) 3.783 3.957 ( -3.532 4.477 -2.148) 6.094 4.098 ( 3.182 1.822 2.991) 4.732 4.159 ( -5.893 5.300 -3.930) 8.847 4.253 ( 4.428 4.899 -0.710) 6.642 4.439 ( 0.402 10.957 -3.207) 11.424 4.534 ( -0.026 2.641 -1.058) 2.845 4.866 ( 2.741 1.511 2.212) 3.833 5.192 ( -1.831 -1.653 2.130) 3.259 5.300 ( 3.463 3.895 -7.529) 9.157 5.327 ( -2.599 5.183 -4.129) 7.118 5.589 ( 1.119 -4.770 3.045) 5.769 6.247 ( 0.657 6.971 1.727) 7.212 6.293 ( -0.116 0.368 -0.817) 0.903 6.433 ( 0.696 2.738 -4.163) 5.031 6.777 ( 7.881 -7.423 -0.003) 10.826 6.841 ( 0.156 0.572 11.590) 11.606 6.912 ( 0.293 -9.105 -5.013) 10.398 7.100 ( -0.974 -6.663 -0.482) 6.751 7.443 ( -2.429 -6.979 11.857) 13.971 7.600 ( 3.479 1.232 -1.448) 3.965 7.774 ( 1.459 -1.671 -2.306) 3.200 7.836 ( 0.601 8.877 -4.415) 9.932 8.021 ( 2.521 -0.117 -4.145) 4.853 8.244 ( 0.481 -3.650 1.039) 3.825 8.267 ( 0.268 3.687 1.708) 4.072 8.427 ( -1.151 1.783 -3.829) 4.378 8.570 ( -2.203 -7.737 4.736) 9.335 9.143 ( -0.378 0.211 -8.086) 8.098 9.343 ( -0.310 -3.275 -4.473) 5.552 9.453 ( -1.297 0.055 2.571) 2.880 9.754 ( -0.141 -4.102 -4.323) 5.961 10.321 ( 0.221 -2.742 5.579) 6.221 10.559 ( -0.321 -8.753 6.325) 10.804 11.366 ( -0.855 10.825 -2.620) 11.170 11.977 ( 0.489 -5.701 -5.412) 7.876 12.488 ( 0.107 -3.752 1.720) 4.129 12.784 ( -0.752 -11.174 7.734) 13.610 13.221 ( 0.516 5.326 -3.285) 6.279 13.343 ( -4.241 12.574 -2.026) 13.424 13.692 ( 3.005 5.395 -7.194) 9.481 13.974 ( -1.192 -9.826 -5.445) 11.297 14.076 ( 1.376 -2.948 1.306) 3.505 14.259 ( 4.543 -6.798 -4.260) 9.219 14.419 ( 1.191 4.501 -1.205) 4.810 14.829 ( 2.547 0.763 -5.181) 5.823 15.294 ( -1.179 -1.839 6.839) 7.179 15.545 ( -0.415 -4.428 4.164) 6.092 16.213 ( -2.123 -0.639 6.564) 6.929 16.275 ( 0.778 -4.331 14.330) 14.990 16.571 ( -0.649 5.145 0.733) 5.237 17.078 ( -0.289 -3.881 -2.689) 4.730 24.636 ( -0.221 0.044 0.080) 0.240 24.696 ( -0.175 -1.106 -0.642) 1.291 24.809 ( -0.414 1.599 0.167) 1.660 24.856 ( -0.142 0.907 -0.424) 1.011 26.193 ( 1.582 -2.253 1.159) 2.987 26.304 ( -1.918 -2.815 -0.791) 3.497 26.427 ( 0.087 -0.118 3.103) 3.106 26.507 ( 1.163 -0.733 4.133) 4.356 26.809 ( -1.210 -0.345 2.493) 2.793 27.038 ( 3.820 -7.882 -1.115) 8.830 27.630 ( 0.493 12.758 -16.352) 20.746 27.816 ( 2.572 8.346 -5.429) 10.283 28.787 ( -0.284 3.671 4.071) 5.489 29.200 ( 0.742 -4.417 -2.347) 5.057 29.425 ( -0.098 -0.528 12.099) 12.111 29.811 ( -1.758 -5.643 0.517) 5.933 ======================= Grid point 57 (28/80) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 4.525 8.012 4.912) 10.431 1.452 ( -1.714 8.819 6.286) 10.964 1.531 ( 0.273 1.661 8.891) 9.049 1.675 ( -0.295 1.767 3.546) 3.973 1.753 ( -3.487 6.352 -1.156) 7.338 1.929 ( -5.459 3.930 9.003) 11.238 1.949 ( -2.715 5.711 -0.006) 6.323 1.983 ( -3.014 6.773 -2.368) 7.782 2.113 ( 0.472 0.475 3.977) 4.033 2.204 ( -4.511 5.627 3.662) 8.088 2.338 ( 5.591 5.886 2.783) 8.582 2.428 ( -2.179 8.412 -4.082) 9.601 2.537 ( -3.626 9.829 -2.142) 10.694 2.608 ( 0.072 2.661 1.206) 2.922 2.839 ( 1.411 -1.451 1.941) 2.804 2.979 ( -0.499 -5.559 0.413) 5.596 2.999 ( 2.532 -0.453 -0.984) 2.754 3.044 ( 4.480 2.472 -4.048) 6.525 3.147 ( 0.781 -0.566 -2.763) 2.927 3.200 ( 2.618 -0.339 0.751) 2.744 3.248 ( -1.885 -0.677 -2.824) 3.462 3.311 ( 3.637 -1.455 -1.743) 4.287 3.334 ( -7.044 7.009 -0.000) 9.937 3.418 ( 1.687 3.510 -0.496) 3.926 3.505 ( 3.570 0.575 1.315) 3.847 3.620 ( 0.274 1.731 2.112) 2.745 3.706 ( -0.865 8.470 -0.145) 8.515 3.792 ( 1.904 4.344 -0.803) 4.810 3.827 ( 2.174 5.054 4.166) 6.901 3.932 ( 2.012 6.135 -0.302) 6.464 4.060 ( -2.844 2.738 -3.631) 5.364 4.146 ( 0.205 2.000 3.306) 3.869 4.332 ( 1.985 -0.390 -2.920) 3.552 4.410 ( -2.360 8.923 -3.828) 9.992 4.545 ( 1.575 3.158 -1.470) 3.823 4.911 ( 1.023 -1.235 2.060) 2.611 5.147 ( -2.534 -1.673 2.160) 3.726 5.268 ( -2.206 1.064 -1.565) 2.907 5.342 ( 2.099 8.151 -8.777) 12.161 5.624 ( 1.303 -3.320 2.049) 4.113 6.259 ( 0.188 7.866 1.099) 7.944 6.291 ( -0.025 0.582 0.039) 0.583 6.447 ( 1.062 2.102 -2.629) 3.530 6.810 ( -1.616 -6.896 -1.736) 7.292 6.852 ( -1.059 0.613 13.300) 13.357 7.015 ( 5.719 -13.409 -4.739) 15.328 7.094 ( 1.301 -7.014 0.398) 7.144 7.397 ( -3.861 -6.331 11.951) 14.065 7.639 ( 0.447 1.307 -3.594) 3.850 7.816 ( 1.655 -0.984 -0.375) 1.961 7.851 ( 2.288 6.145 -8.227) 10.521 8.065 ( 1.985 -0.050 -5.332) 5.690 8.249 ( 0.135 -1.452 -2.004) 2.478 8.287 ( 0.843 0.790 5.985) 6.095 8.372 ( -3.753 -1.505 1.809) 4.430 8.526 ( -1.707 -0.805 -1.068) 2.168 9.134 ( 1.135 0.474 -8.237) 8.328 9.329 ( -0.029 -3.370 -5.414) 6.377 9.428 ( -1.311 0.346 2.379) 2.738 9.746 ( 0.251 -3.657 -5.011) 6.208 10.338 ( 0.240 -2.208 5.820) 6.230 10.558 ( -0.899 -7.876 6.080) 9.990 11.350 ( -0.141 10.522 -2.142) 10.738 11.976 ( 0.417 -5.819 -5.558) 8.058 12.494 ( 0.009 -3.645 2.110) 4.212 12.786 ( -0.495 -11.464 8.160) 14.080 13.219 ( -0.151 8.194 -3.150) 8.780 13.278 ( -1.614 10.984 -0.001) 11.102 13.715 ( 0.868 5.870 -6.518) 8.815 13.948 ( -0.113 -11.023 -6.961) 13.037 14.103 ( -0.339 -3.633 0.395) 3.671 14.298 ( 2.089 -4.326 -1.722) 5.104 14.513 ( 5.961 -0.892 -4.894) 7.764 14.857 ( 0.548 -0.564 -3.480) 3.568 15.281 ( -1.163 -1.881 6.289) 6.666 15.536 ( -1.055 -4.775 3.487) 6.006 16.166 ( -3.045 1.303 5.772) 6.655 16.304 ( -0.557 -4.219 12.731) 13.424 16.552 ( -1.002 5.480 0.231) 5.575 17.075 ( 0.441 -3.822 -2.798) 4.758 24.632 ( -0.104 0.186 0.013) 0.214 24.688 ( -0.335 -0.937 -0.874) 1.324 24.805 ( -0.004 1.501 0.432) 1.562 24.853 ( -0.049 0.687 -0.333) 0.765 26.219 ( 0.148 -2.935 0.163) 2.943 26.275 ( -0.223 -3.532 -0.347) 3.556 26.430 ( -0.398 0.758 2.849) 2.975 26.525 ( -0.328 -1.190 5.713) 5.845 26.795 ( -0.552 0.249 2.756) 2.822 27.102 ( 2.092 -9.812 -2.633) 10.373 27.598 ( -0.293 14.066 -13.409) 19.436 27.904 ( 5.628 4.529 -6.664) 9.829 28.797 ( 0.354 3.506 5.163) 6.251 29.211 ( 0.611 -4.462 -1.944) 4.906 29.402 ( -3.642 0.934 8.117) 8.945 29.784 ( -0.602 -4.960 0.895) 5.076 ======================= Grid point 58 (29/80) ======================= q-point: (-0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -8.319 3.749 5.830) 10.828 1.321 ( -5.446 7.005 2.952) 9.351 1.624 ( 0.331 6.941 12.481) 14.285 1.720 ( 4.825 3.069 4.389) 7.209 1.750 ( 4.717 7.675 0.392) 9.017 1.832 ( -1.611 4.024 -3.215) 5.397 1.909 ( 0.037 6.627 1.842) 6.878 1.984 ( -1.065 4.537 -0.556) 4.693 2.086 ( -2.374 8.142 3.057) 9.016 2.106 ( -3.372 4.310 3.768) 6.644 2.379 ( -5.048 8.365 -6.575) 11.777 2.390 ( -0.876 6.302 4.038) 7.536 2.477 ( 4.345 4.334 -1.722) 6.374 2.693 ( 2.925 1.045 0.711) 3.186 2.868 ( 0.134 -1.770 2.412) 2.995 2.973 ( -0.119 -3.919 -0.914) 4.026 2.981 ( -1.631 -2.841 -0.972) 3.417 3.130 ( -0.639 1.465 -2.423) 2.903 3.142 ( 3.067 1.355 -4.010) 5.228 3.189 ( -4.660 6.893 5.671) 10.069 3.261 ( 4.105 -1.941 0.048) 4.541 3.292 ( 1.643 -2.494 -4.308) 5.242 3.402 ( 5.077 3.604 4.352) 7.597 3.429 ( 0.507 3.079 -2.020) 3.717 3.580 ( 2.291 -0.625 1.177) 2.651 3.610 ( -1.810 1.038 2.200) 3.032 3.727 ( 2.460 5.913 0.016) 6.405 3.798 ( -0.709 5.750 0.006) 5.794 3.868 ( 0.422 7.248 5.082) 8.862 3.985 ( -2.226 1.531 -1.119) 2.924 4.018 ( 2.552 4.708 -0.110) 5.357 4.132 ( -0.379 4.895 0.002) 4.910 4.311 ( -2.956 2.815 -3.833) 5.600 4.351 ( -1.643 7.618 -5.666) 9.635 4.593 ( 2.936 2.656 -0.553) 3.998 4.911 ( -1.444 -2.174 2.155) 3.385 5.114 ( -0.827 -2.426 1.655) 3.051 5.236 ( -0.453 -1.896 -3.299) 3.832 5.358 ( 1.095 9.465 -7.309) 12.008 5.639 ( -0.336 -3.025 2.494) 3.935 6.258 ( -0.431 6.571 1.098) 6.676 6.291 ( 0.085 1.623 -0.242) 1.644 6.460 ( 0.480 1.625 -1.561) 2.304 6.737 ( -4.621 -7.205 -4.218) 9.542 6.867 ( -0.507 0.006 12.640) 12.651 7.052 ( 0.308 -9.645 -1.854) 9.826 7.148 ( 1.183 -9.972 -0.311) 10.047 7.345 ( -2.414 -4.121 11.913) 12.835 7.613 ( -1.876 1.752 -5.125) 5.732 7.827 ( 0.103 4.168 -0.674) 4.223 7.888 ( 2.143 -1.700 -8.569) 8.995 8.049 ( -3.144 0.921 -4.072) 5.226 8.244 ( -1.012 -3.934 2.146) 4.595 8.260 ( -1.720 2.385 -2.554) 3.895 8.385 ( 3.484 -2.537 8.719) 9.726 8.500 ( -0.458 2.266 -3.658) 4.327 9.156 ( 2.023 0.111 -7.783) 8.042 9.330 ( 1.173 -3.520 -4.822) 6.085 9.415 ( -0.198 0.832 1.728) 1.928 9.747 ( 0.824 -3.535 -5.241) 6.375 10.346 ( -0.648 -2.251 5.960) 6.403 10.549 ( -0.964 -7.680 5.960) 9.769 11.353 ( 0.845 10.399 -2.040) 10.630 11.975 ( 0.456 -5.850 -5.567) 8.088 12.494 ( -0.295 -3.612 1.824) 4.057 12.792 ( -0.530 -11.582 8.859) 14.591 13.217 ( 0.808 9.388 -3.979) 10.228 13.265 ( 0.223 9.973 0.158) 9.976 13.713 ( 0.083 6.656 -6.320) 9.179 13.940 ( 0.626 -11.915 -7.608) 14.150 14.070 ( -1.900 -3.163 -0.367) 3.708 14.357 ( 2.806 -4.855 0.146) 5.609 14.586 ( 1.178 -3.651 -3.960) 5.513 14.825 ( -2.834 -1.391 -4.755) 5.708 15.276 ( -0.321 -1.597 6.456) 6.658 15.520 ( -0.836 -4.263 2.798) 5.167 16.123 ( -2.018 2.760 8.199) 8.884 16.303 ( -1.456 -2.811 10.182) 10.662 16.540 ( -0.030 5.869 -0.164) 5.872 17.084 ( 0.811 -3.922 -2.343) 4.640 24.632 ( 0.122 0.105 0.037) 0.165 24.682 ( -0.016 -0.920 -1.020) 1.374 24.810 ( 0.367 1.470 0.553) 1.612 24.853 ( 0.077 0.736 -0.366) 0.826 26.195 ( -1.732 -2.399 -0.322) 2.977 26.302 ( 2.241 -3.276 0.317) 3.982 26.418 ( -1.225 0.919 1.956) 2.484 26.516 ( -1.453 -1.312 5.912) 6.228 26.794 ( -0.076 0.231 2.674) 2.685 27.107 ( -1.132 -9.554 -2.222) 9.875 27.579 ( 0.747 13.565 -12.178) 18.244 27.983 ( 2.646 1.159 -8.302) 8.790 28.816 ( 0.164 2.811 6.541) 7.122 29.213 ( -0.113 -4.603 -2.022) 5.029 29.329 ( -3.906 4.396 7.351) 9.413 29.793 ( 1.119 -4.942 0.994) 5.164 ======================= Grid point 59 (30/80) ======================= q-point: (-0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.958 ( -7.093 10.655 5.696) 14.011 1.187 ( -6.328 15.614 9.818) 19.500 1.696 ( 2.397 2.108 4.995) 5.928 1.770 ( -0.787 4.572 -3.403) 5.754 1.799 ( -3.516 0.920 2.216) 4.256 1.856 ( 2.474 1.953 1.259) 3.394 1.915 ( 6.269 12.526 4.727) 14.784 2.015 ( 1.711 6.266 -3.072) 7.185 2.110 ( 2.901 6.016 -0.519) 6.699 2.117 ( 5.341 11.216 1.588) 12.524 2.318 ( 0.462 11.046 -1.836) 11.207 2.383 ( -1.495 3.473 8.990) 9.753 2.546 ( 3.492 2.788 0.820) 4.543 2.686 ( -2.988 1.267 0.255) 3.255 2.836 ( -1.841 0.278 -1.040) 2.133 2.958 ( -1.060 -3.191 1.824) 3.825 3.007 ( 2.685 0.830 -0.320) 2.829 3.108 ( -1.221 3.490 -0.722) 3.767 3.132 ( -1.348 3.649 4.068) 5.629 3.195 ( 0.793 0.121 -1.411) 1.624 3.271 ( -2.552 -0.949 -3.827) 4.697 3.311 ( 0.273 0.484 0.327) 0.645 3.435 ( -0.455 -0.876 -4.542) 4.648 3.488 ( 3.855 -0.789 0.325) 3.948 3.566 ( -2.009 0.337 3.078) 3.691 3.618 ( -0.343 -1.772 -0.085) 1.807 3.728 ( -5.269 1.011 0.495) 5.388 3.744 ( -1.556 1.186 3.682) 4.169 3.889 ( -3.975 -0.705 -4.577) 6.103 3.927 ( 3.336 9.762 4.056) 11.085 4.053 ( 1.227 4.893 1.284) 5.206 4.162 ( -1.319 2.412 -3.334) 4.322 4.256 ( 2.229 12.971 -2.600) 13.415 4.350 ( 2.415 9.876 -4.473) 11.107 4.647 ( 1.618 2.208 -1.069) 2.938 4.852 ( -4.863 -0.656 3.065) 5.786 5.124 ( 2.265 -3.499 -1.364) 4.386 5.233 ( 0.624 -2.935 -5.021) 5.849 5.368 ( 1.013 8.951 -4.966) 10.286 5.619 ( -2.013 -3.980 3.582) 5.720 6.245 ( -1.042 4.521 1.655) 4.926 6.296 ( 0.509 2.427 -1.444) 2.869 6.465 ( 0.431 1.158 -1.761) 2.152 6.610 ( -5.874 -4.310 -6.387) 9.688 6.867 ( -1.678 -0.010 11.814) 11.933 7.022 ( -3.339 -8.315 -1.462) 9.079 7.132 ( -0.895 -6.350 0.469) 6.430 7.366 ( 1.872 -4.105 10.726) 11.637 7.563 ( -1.592 1.729 -3.890) 4.545 7.824 ( -0.597 4.198 0.610) 4.284 7.882 ( -2.021 -3.357 -8.887) 9.713 7.973 ( -1.363 3.210 -0.718) 3.560 8.225 ( -0.530 -3.574 2.816) 4.581 8.254 ( 0.609 3.036 -3.802) 4.903 8.454 ( 0.741 0.204 0.588) 0.967 8.514 ( 2.672 -3.780 3.754) 5.960 9.174 ( 0.970 -0.236 -7.671) 7.736 9.351 ( 1.017 -3.658 -3.048) 4.869 9.431 ( 1.442 0.812 1.302) 2.105 9.757 ( 0.919 -3.906 -4.756) 6.223 10.332 ( -1.528 -2.842 5.826) 6.660 10.545 ( -0.460 -8.461 6.146) 10.467 11.373 ( 1.274 10.473 -2.430) 10.826 11.975 ( 0.522 -5.745 -5.434) 7.924 12.489 ( -0.412 -3.668 1.231) 3.891 12.794 ( -0.916 -11.351 8.873) 14.437 13.221 ( 0.123 5.812 -4.336) 7.252 13.314 ( 4.920 12.358 -2.042) 13.457 13.686 ( -1.781 6.950 -6.522) 9.696 13.947 ( 1.481 -11.901 -7.044) 13.908 14.052 ( 0.509 -2.200 0.244) 2.271 14.360 ( -4.378 -8.519 -1.447) 9.686 14.528 ( -5.080 -0.399 1.465) 5.302 14.767 ( -0.205 1.347 -8.628) 8.735 15.289 ( 0.132 -1.511 7.242) 7.399 15.520 ( 0.319 -3.607 3.339) 4.926 16.127 ( 0.634 1.734 12.548) 12.683 16.287 ( -1.695 -1.720 8.220) 8.567 16.551 ( 0.918 5.903 0.049) 5.974 17.094 ( 0.424 -4.075 -1.938) 4.532 24.636 ( 0.206 -0.083 0.125) 0.255 24.686 ( 0.535 -1.105 -0.888) 1.515 24.818 ( 0.186 1.538 0.383) 1.596 24.855 ( 0.231 0.990 -0.484) 1.126 26.164 ( -1.036 -0.974 0.436) 1.487 26.356 ( 2.834 -2.614 0.985) 3.979 26.388 ( -1.866 0.474 0.384) 1.963 26.491 ( -1.788 -1.020 4.940) 5.352 26.802 ( 0.491 -0.159 2.232) 2.291 27.055 ( -3.351 -7.995 -0.290) 8.674 27.585 ( 2.075 12.404 -12.590) 17.796 27.962 ( -2.957 1.902 -10.323) 10.905 28.816 ( -1.280 2.512 5.755) 6.409 29.201 ( -0.422 -4.588 -2.480) 5.233 29.306 ( 0.344 5.620 11.724) 13.006 29.823 ( 1.314 -5.607 0.809) 5.816 ======================= Grid point 60 (31/80) ======================= q-point: ( 0.00 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 3.576 13.124 3.372) 14.014 1.445 ( 2.253 8.958 7.251) 11.743 1.676 ( -2.558 -3.603 6.801) 8.110 1.773 ( 0.401 2.478 1.224) 2.793 1.844 ( -0.592 -1.692 1.646) 2.433 1.876 ( -1.224 2.612 0.713) 2.972 2.098 ( 5.119 5.422 -3.173) 8.104 2.219 ( -0.182 3.504 -0.928) 3.629 2.272 ( -3.075 6.096 -0.848) 6.881 2.408 ( -1.332 4.228 1.094) 4.567 2.472 ( 3.644 3.313 -1.489) 5.145 2.547 ( 2.711 8.991 2.373) 9.686 2.637 ( 1.999 3.247 2.700) 4.672 2.709 ( 2.571 -1.854 3.032) 4.387 2.862 ( 1.535 2.358 0.372) 2.838 2.905 ( -1.314 -0.922 0.451) 1.667 3.004 ( -3.766 -2.697 0.037) 4.632 3.059 ( -3.692 -4.262 -6.024) 8.251 3.189 ( -1.836 2.776 -3.132) 4.570 3.225 ( -0.365 3.075 0.750) 3.186 3.259 ( -2.822 1.546 2.139) 3.864 3.309 ( 1.549 7.473 5.460) 9.384 3.415 ( -3.517 1.607 -3.794) 5.417 3.523 ( 0.739 -1.818 1.183) 2.292 3.554 ( 0.671 0.157 0.105) 0.697 3.613 ( 1.323 2.482 2.235) 3.592 3.624 ( -2.698 2.069 -1.111) 3.577 3.697 ( 0.207 0.069 2.504) 2.513 3.843 ( 0.274 -1.844 0.416) 1.910 3.960 ( -1.787 -6.571 1.647) 7.006 4.102 ( -0.697 4.957 -2.652) 5.665 4.241 ( -0.431 0.827 -2.089) 2.288 4.529 ( -0.899 10.431 -4.516) 11.402 4.576 ( -0.135 6.814 -2.961) 7.431 4.808 ( -0.896 15.262 1.560) 15.367 4.863 ( 1.833 2.143 1.805) 3.349 5.123 ( 3.563 -3.893 1.077) 5.386 5.210 ( 3.774 -1.888 -3.461) 5.458 5.453 ( -0.445 -4.619 0.451) 4.662 5.498 ( -1.854 1.889 -3.023) 4.018 6.279 ( 0.111 2.352 -0.044) 2.355 6.361 ( -0.786 1.348 1.662) 2.280 6.534 ( 0.785 6.088 -5.008) 7.922 6.568 ( 2.652 0.392 -4.855) 5.546 6.802 ( -2.019 -4.714 -2.542) 5.724 6.863 ( -1.041 -2.947 7.362) 7.998 7.046 ( -1.839 0.053 5.563) 5.859 7.282 ( -0.044 -8.214 12.497) 14.955 7.558 ( 0.890 0.310 -2.032) 2.240 7.697 ( -0.255 -5.287 -2.262) 5.756 7.992 ( -0.035 6.174 -1.058) 6.264 8.014 ( 0.509 2.312 -2.677) 3.574 8.151 ( 0.439 -3.419 2.844) 4.468 8.295 ( 1.731 -4.147 -4.747) 6.537 8.416 ( -1.472 1.113 6.744) 6.992 8.534 ( 0.311 0.947 -1.872) 2.121 9.160 ( 0.125 0.227 -7.929) 7.933 9.279 ( 0.335 -4.365 -4.264) 6.112 9.469 ( 0.269 1.524 -0.776) 1.731 9.653 ( 0.183 -6.336 -3.953) 7.471 10.283 ( -0.608 -0.086 4.055) 4.101 10.399 ( -0.199 -6.026 4.848) 7.737 11.590 ( 0.294 10.059 -3.540) 10.668 11.878 ( 0.599 -4.636 -5.413) 7.152 12.425 ( -0.421 -1.769 3.482) 3.928 12.576 ( -0.924 -9.483 7.901) 12.377 13.322 ( 0.330 5.437 -5.298) 7.599 13.522 ( 1.025 0.103 -6.201) 6.286 13.780 ( -0.903 5.464 -4.761) 7.304 13.817 ( 3.276 -1.763 -4.303) 5.689 14.052 ( 0.410 -1.586 0.159) 1.646 14.125 ( -2.136 -4.488 -1.348) 5.149 14.535 ( -1.398 5.445 0.932) 5.699 14.762 ( 1.775 -3.429 -4.033) 5.584 15.287 ( -0.562 0.921 5.377) 5.484 15.443 ( -0.044 -5.309 3.673) 6.455 16.186 ( 0.161 1.209 11.174) 11.241 16.244 ( -1.265 -1.143 7.917) 8.099 16.697 ( 0.260 7.213 -0.127) 7.219 16.986 ( -0.165 -6.372 -1.756) 6.611 24.642 ( 0.062 0.384 0.064) 0.394 24.671 ( 0.290 -1.079 -0.289) 1.154 24.847 ( -0.178 1.292 -0.280) 1.334 24.870 ( 0.013 0.184 -0.559) 0.589 26.167 ( 0.136 1.089 0.926) 1.436 26.278 ( -1.149 -4.176 -0.633) 4.377 26.419 ( 0.505 1.361 3.805) 4.072 26.467 ( 0.191 -0.792 3.965) 4.048 26.817 ( -0.048 0.640 2.002) 2.103 26.901 ( -0.560 -3.859 1.775) 4.285 27.812 ( 2.267 8.155 -14.312) 16.627 27.950 ( -0.734 1.967 -11.159) 11.355 28.878 ( -0.699 4.883 3.173) 5.865 29.094 ( 0.041 -5.462 -0.725) 5.510 29.451 ( 0.422 5.572 8.879) 10.491 29.705 ( -0.466 -6.813 2.523) 7.280 ======================= Grid point 61 (32/80) ======================= q-point: ( 0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 1.786 11.696 5.511) 13.052 1.525 ( 3.966 8.528 9.814) 13.593 1.627 ( -4.467 -3.531 2.714) 6.308 1.737 ( -4.609 -2.426 6.014) 7.956 1.823 ( 2.719 3.431 0.862) 4.462 1.898 ( 1.082 1.381 -0.937) 1.988 2.136 ( -1.724 7.905 1.966) 8.327 2.225 ( -5.718 4.484 -0.101) 7.267 2.238 ( 5.130 5.335 -1.994) 7.665 2.344 ( -2.256 4.776 0.620) 5.318 2.435 ( -6.318 2.346 2.726) 7.270 2.602 ( -0.025 5.136 0.253) 5.142 2.635 ( -0.585 2.979 3.571) 4.687 2.768 ( -0.261 -0.607 1.903) 2.014 2.843 ( -3.323 1.383 2.331) 4.288 2.903 ( -4.866 -3.947 1.563) 6.458 2.918 ( 4.371 -0.862 -4.614) 6.414 2.996 ( 0.370 -3.868 -6.412) 7.498 3.159 ( 0.188 0.076 -1.714) 1.726 3.205 ( -1.673 0.722 -3.930) 4.332 3.254 ( 0.454 6.885 1.512) 7.064 3.350 ( 0.366 8.689 2.091) 8.945 3.366 ( 1.966 0.058 -0.104) 1.969 3.479 ( -3.167 -0.184 -1.575) 3.542 3.538 ( -2.451 1.325 -1.910) 3.378 3.639 ( 2.021 2.155 0.601) 3.015 3.680 ( 6.477 -2.845 1.623) 7.258 3.795 ( 6.859 4.515 1.428) 8.335 3.899 ( 3.060 -5.780 -0.326) 6.548 3.927 ( -0.983 3.773 -0.219) 3.905 4.103 ( 1.138 -0.401 0.945) 1.533 4.196 ( -3.428 -0.704 -2.741) 4.445 4.475 ( -1.716 12.652 -4.119) 13.416 4.573 ( 0.013 5.701 -4.252) 7.112 4.786 ( -1.487 15.256 3.681) 15.764 4.895 ( 0.461 2.557 2.623) 3.692 5.115 ( -3.406 -5.473 4.382) 7.794 5.272 ( 0.554 -3.036 -1.998) 3.676 5.482 ( 2.452 2.610 -3.248) 4.835 5.498 ( 3.107 -1.106 -3.257) 4.636 6.293 ( 0.937 1.929 0.484) 2.198 6.359 ( 0.298 1.573 1.590) 2.256 6.534 ( 0.419 6.513 -5.450) 8.503 6.662 ( 6.056 -3.848 -2.856) 7.723 6.749 ( -2.271 -4.887 -3.918) 6.663 6.857 ( -0.819 -2.646 7.132) 7.651 7.018 ( -1.556 0.658 6.552) 6.766 7.285 ( -1.965 -8.377 13.149) 15.714 7.597 ( 2.762 -0.594 -2.235) 3.603 7.708 ( 1.540 -4.471 -2.713) 5.452 7.988 ( -0.181 5.808 -1.194) 5.932 8.028 ( 1.382 0.961 -3.404) 3.797 8.166 ( 0.325 -3.282 2.725) 4.279 8.310 ( 0.096 -5.870 -4.043) 7.128 8.393 ( -1.443 4.067 6.265) 7.608 8.541 ( 0.633 0.757 -2.263) 2.468 9.145 ( 0.033 0.624 -8.226) 8.250 9.271 ( -0.233 -4.202 -4.969) 6.512 9.461 ( -0.797 1.393 -0.466) 1.671 9.646 ( -0.071 -6.406 -3.937) 7.519 10.292 ( 0.615 0.036 4.075) 4.122 10.411 ( 0.326 -6.009 4.881) 7.749 11.580 ( -0.531 10.440 -3.431) 11.002 11.878 ( 0.334 -4.745 -5.399) 7.195 12.427 ( -0.098 -1.889 3.852) 4.291 12.572 ( -0.826 -9.389 7.659) 12.145 13.322 ( 0.648 5.253 -5.309) 7.497 13.513 ( -0.617 1.564 -5.160) 5.427 13.767 ( 0.495 3.294 -4.350) 5.479 13.878 ( 1.632 1.624 -4.651) 5.190 14.017 ( -0.824 -2.962 0.434) 3.105 14.128 ( 1.015 -6.668 -3.348) 7.530 14.530 ( 0.930 6.784 0.468) 6.863 14.796 ( 1.725 -4.143 -2.596) 5.184 15.279 ( -1.012 0.914 4.975) 5.159 15.442 ( -0.653 -5.621 3.504) 6.656 16.206 ( -0.613 0.252 9.873) 9.895 16.236 ( -0.684 -0.845 9.292) 9.356 16.694 ( -0.480 7.052 -0.098) 7.069 16.978 ( -0.219 -6.190 -2.091) 6.537 24.642 ( -0.048 0.528 0.023) 0.531 24.674 ( 0.001 -1.036 -0.270) 1.070 24.839 ( -0.413 1.341 -0.279) 1.430 24.866 ( -0.286 0.090 -0.493) 0.577 26.172 ( 0.264 0.028 0.706) 0.754 26.242 ( -1.817 -3.095 -0.546) 3.630 26.438 ( 0.498 1.061 3.947) 4.117 26.488 ( 0.648 -1.140 4.723) 4.901 26.815 ( -0.430 0.904 2.220) 2.435 26.915 ( 1.400 -4.682 0.846) 4.960 27.830 ( 1.742 7.731 -15.482) 17.393 27.935 ( 1.558 3.184 -9.728) 10.354 28.875 ( -0.155 5.122 3.233) 6.059 29.099 ( 0.494 -5.600 -0.703) 5.665 29.470 ( -0.428 4.226 8.359) 9.376 29.691 ( -1.161 -6.242 2.474) 6.814 ======================= Grid point 62 (33/80) ======================= q-point: ( 0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.281 ( -2.584 6.138 6.611) 9.384 1.466 ( -7.601 -1.853 5.138) 9.360 1.661 ( 5.708 5.271 7.678) 10.923 1.717 ( -0.445 1.212 4.110) 4.308 1.855 ( -1.786 1.522 2.098) 3.148 1.900 ( 0.287 0.217 2.281) 2.310 2.060 ( -6.229 6.051 -0.602) 8.705 2.160 ( -0.310 6.849 4.052) 7.964 2.240 ( -0.261 8.057 3.352) 8.730 2.299 ( -4.717 5.621 3.062) 7.951 2.417 ( 4.513 4.747 -4.122) 7.739 2.575 ( -0.469 -2.803 -1.173) 3.075 2.643 ( -4.316 7.908 -2.331) 9.306 2.702 ( -0.191 6.211 3.326) 7.048 2.779 ( -2.160 -4.432 2.525) 5.539 2.837 ( -2.097 -7.567 1.335) 7.965 3.016 ( 2.310 0.049 -3.054) 3.829 3.037 ( 4.423 -2.718 -4.666) 6.980 3.134 ( -1.012 -0.150 -2.942) 3.115 3.194 ( 1.452 -2.525 -4.653) 5.489 3.243 ( -1.860 2.883 -1.275) 3.660 3.362 ( 1.837 3.237 0.479) 3.753 3.413 ( -1.717 4.140 -1.292) 4.665 3.440 ( 3.139 -0.048 1.139) 3.340 3.584 ( 5.473 4.678 0.016) 7.200 3.658 ( -0.384 3.195 -1.048) 3.384 3.796 ( 4.187 -2.610 -2.138) 5.377 3.866 ( -2.810 3.341 -1.859) 4.745 3.929 ( 3.628 4.724 2.099) 6.315 3.972 ( 3.164 2.072 2.273) 4.412 4.114 ( -3.688 0.223 -1.217) 3.890 4.148 ( 2.402 -1.897 3.495) 4.646 4.462 ( 0.655 11.044 -3.634) 11.645 4.554 ( -0.994 5.544 -4.036) 6.929 4.765 ( -1.112 16.364 3.558) 16.783 4.892 ( -1.080 -0.015 2.491) 2.715 5.048 ( -3.260 -7.483 5.623) 9.912 5.232 ( -3.026 -3.923 -1.236) 5.106 5.528 ( 2.307 6.363 -7.865) 10.376 5.558 ( 2.264 -1.614 -0.773) 2.886 6.309 ( 0.262 2.302 1.392) 2.703 6.375 ( 0.665 1.549 2.203) 2.774 6.530 ( 0.232 6.352 -5.517) 8.417 6.696 ( -2.151 -4.524 -4.707) 6.873 6.771 ( 4.256 -7.174 -0.542) 8.359 6.858 ( -0.201 -4.304 5.771) 7.202 7.019 ( 0.347 1.516 8.897) 9.031 7.260 ( -2.514 -7.148 12.923) 14.981 7.634 ( 0.805 -1.123 -3.542) 3.802 7.736 ( 1.419 -5.044 -3.091) 6.083 7.983 ( 0.058 5.419 -1.913) 5.747 8.055 ( 1.561 -0.242 -3.845) 4.157 8.169 ( -0.661 -3.704 3.255) 4.975 8.279 ( -1.798 -6.294 -4.113) 7.730 8.392 ( 0.047 6.764 5.594) 8.777 8.547 ( 0.349 0.900 -2.930) 3.084 9.138 ( 0.935 0.637 -8.302) 8.379 9.257 ( 0.014 -3.984 -5.618) 6.887 9.444 ( -0.597 1.745 -0.375) 1.882 9.640 ( 0.254 -6.541 -4.030) 7.687 10.314 ( 0.467 0.017 4.405) 4.430 10.423 ( -0.218 -5.550 4.786) 7.332 11.564 ( -0.196 10.648 -3.265) 11.139 11.873 ( 0.281 -4.983 -5.512) 7.436 12.433 ( -0.112 -1.953 4.134) 4.573 12.572 ( -0.594 -9.337 7.925) 12.261 13.327 ( 0.739 5.059 -5.311) 7.372 13.490 ( -0.639 4.520 -3.912) 6.012 13.777 ( 0.944 1.325 -4.540) 4.822 13.858 ( -1.127 4.190 -4.229) 6.059 14.027 ( -0.223 -3.945 -0.733) 4.018 14.149 ( 2.387 -9.666 -4.932) 11.111 14.566 ( 1.927 5.374 0.984) 5.793 14.810 ( -0.193 -4.327 -1.767) 4.678 15.269 ( -0.718 1.166 4.625) 4.823 15.432 ( -0.786 -5.508 3.095) 6.367 16.194 ( -1.725 1.397 7.980) 8.283 16.250 ( -0.266 -1.717 10.597) 10.738 16.682 ( -0.518 7.369 -0.315) 7.394 16.974 ( 0.259 -6.272 -2.116) 6.624 24.640 ( -0.083 0.592 -0.115) 0.608 24.670 ( -0.244 -0.870 -0.524) 1.045 24.833 ( -0.052 1.291 -0.041) 1.293 24.860 ( -0.109 0.014 -0.369) 0.385 26.179 ( 0.013 -0.959 0.114) 0.966 26.215 ( -0.274 -2.431 -0.063) 2.447 26.449 ( -0.247 1.125 3.925) 4.091 26.500 ( -0.473 -1.300 5.530) 5.701 26.812 ( -0.236 1.431 2.245) 2.673 26.944 ( 0.968 -6.091 0.152) 6.170 27.824 ( 0.623 8.806 -14.956) 17.367 27.970 ( 2.946 1.494 -9.834) 10.374 28.883 ( 0.162 5.041 3.787) 6.307 29.108 ( 0.374 -5.748 -0.572) 5.788 29.461 ( -1.700 4.442 6.895) 8.376 29.676 ( -0.521 -5.777 2.668) 6.385 ======================= Grid point 63 (34/80) ======================= q-point: (-0.40 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.209 ( -4.403 4.909 4.975) 8.260 1.396 ( -0.576 -0.117 3.447) 3.496 1.701 ( -0.877 1.713 6.705) 6.976 1.770 ( 2.261 -0.002 7.286) 7.629 1.804 ( -1.740 1.704 0.283) 2.452 1.919 ( 0.597 -0.886 4.579) 4.702 2.005 ( -0.096 9.222 -2.929) 9.677 2.116 ( -1.781 7.709 0.805) 7.952 2.227 ( 0.786 5.715 3.180) 6.587 2.330 ( 3.195 12.404 4.257) 13.497 2.440 ( -1.144 5.319 -4.517) 7.071 2.543 ( -3.255 8.109 0.960) 8.790 2.579 ( 1.274 -2.745 -0.696) 3.105 2.691 ( -1.717 0.062 -1.778) 2.472 2.801 ( 1.348 -5.507 1.680) 5.913 2.847 ( 3.124 -4.689 2.617) 6.213 3.004 ( -0.574 2.986 -2.258) 3.787 3.117 ( 3.161 -2.034 0.112) 3.761 3.159 ( 0.125 -1.055 -4.958) 5.070 3.178 ( 2.025 -4.081 -1.644) 4.843 3.261 ( 2.371 1.232 -2.892) 3.937 3.341 ( -1.766 4.191 -1.911) 4.934 3.435 ( 0.768 0.593 0.277) 1.009 3.498 ( 1.514 1.480 2.201) 3.054 3.633 ( -1.052 3.867 0.296) 4.018 3.661 ( 0.437 7.285 0.388) 7.308 3.819 ( -1.281 1.768 -1.768) 2.809 3.829 ( -1.563 0.363 -1.070) 1.928 3.923 ( -2.228 -1.788 -0.330) 2.875 4.039 ( -3.546 -0.525 2.096) 4.153 4.068 ( 3.577 4.312 2.635) 6.191 4.198 ( 2.123 1.181 0.939) 2.604 4.471 ( 0.908 10.519 -2.533) 10.858 4.541 ( 0.966 7.889 -3.700) 8.767 4.754 ( -0.281 14.268 2.396) 14.471 4.879 ( -0.161 -0.989 2.278) 2.488 5.006 ( -1.823 -7.665 4.452) 9.050 5.178 ( -1.343 -4.163 -2.742) 5.163 5.532 ( -0.564 4.624 -6.655) 8.123 5.578 ( -0.151 -0.686 -0.963) 1.192 6.307 ( -0.672 2.663 1.347) 3.058 6.385 ( -0.187 1.574 2.625) 3.066 6.524 ( 0.103 5.683 -5.282) 7.760 6.640 ( -2.479 -2.288 -4.842) 5.902 6.826 ( 1.080 -5.927 2.079) 6.374 6.869 ( 0.252 -6.418 3.677) 7.401 7.052 ( 0.588 0.579 9.150) 9.187 7.240 ( -1.388 -5.904 12.185) 13.611 7.615 ( -1.613 -0.648 -4.331) 4.667 7.745 ( -0.095 -6.304 -3.103) 7.027 7.985 ( 0.488 5.646 -2.081) 6.037 8.058 ( -0.909 0.485 -3.952) 4.084 8.152 ( -1.328 -3.867 4.755) 6.271 8.253 ( 0.535 -5.163 -6.393) 8.235 8.407 ( 0.226 5.523 6.506) 8.537 8.544 ( -0.111 1.123 -2.839) 3.055 9.151 ( 1.584 0.174 -7.952) 8.110 9.256 ( 0.911 -3.932 -5.341) 6.695 9.440 ( 0.400 2.149 -0.668) 2.286 9.643 ( 0.731 -6.539 -4.136) 7.772 10.319 ( -0.834 -0.179 4.588) 4.666 10.418 ( -1.023 -5.276 4.700) 7.140 11.564 ( 0.793 10.477 -3.262) 11.002 11.871 ( 0.530 -5.023 -5.595) 7.538 12.435 ( -0.434 -1.881 3.953) 4.399 12.576 ( -0.514 -9.406 8.343) 12.583 13.330 ( 0.448 5.087 -5.284) 7.348 13.479 ( 0.514 5.466 -3.967) 6.774 13.775 ( -0.127 -1.513 -4.730) 4.968 13.850 ( 0.700 6.629 -5.288) 8.509 13.999 ( -1.244 -4.058 -1.043) 4.370 14.193 ( 1.833 -10.244 -3.603) 11.013 14.592 ( -0.046 3.522 1.790) 3.952 14.783 ( -1.662 -3.510 -2.704) 4.732 15.270 ( -0.004 1.338 4.877) 5.057 15.426 ( -0.247 -5.071 2.972) 5.883 16.175 ( -1.463 2.419 8.591) 9.044 16.257 ( -0.782 -1.942 9.552) 9.779 16.677 ( 0.200 7.708 -0.453) 7.724 16.980 ( 0.602 -6.483 -1.818) 6.760 24.639 ( -0.023 0.493 -0.154) 0.517 24.665 ( -0.090 -0.794 -0.679) 1.049 24.838 ( 0.397 1.211 0.085) 1.277 24.861 ( 0.242 0.089 -0.354) 0.438 26.169 ( -0.557 -0.175 -0.002) 0.584 26.236 ( 1.785 -3.102 0.251) 3.588 26.441 ( -1.183 1.258 3.483) 3.888 26.491 ( -1.317 -1.261 5.492) 5.787 26.812 ( -0.189 1.513 2.232) 2.703 26.948 ( -0.618 -6.213 0.384) 6.255 27.808 ( 0.593 9.451 -14.140) 17.019 28.000 ( 1.458 -0.339 -10.653) 10.757 28.891 ( -0.159 4.679 4.136) 6.247 29.109 ( -0.222 -5.706 -0.540) 5.736 29.436 ( -1.551 6.003 6.556) 9.024 29.681 ( 0.479 -6.080 2.736) 6.684 ======================= Grid point 64 (35/80) ======================= q-point: (-0.20 0.38 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( -0.384 10.087 2.731) 10.457 1.406 ( 0.532 4.487 5.077) 6.796 1.704 ( -1.000 -1.378 6.110) 6.343 1.779 ( -0.596 -0.668 7.503) 7.557 1.814 ( 1.156 2.186 -2.376) 3.429 1.909 ( -1.638 -0.319 2.558) 3.054 2.020 ( 2.735 7.341 -1.806) 8.039 2.152 ( 4.305 4.194 -3.303) 6.858 2.309 ( 5.432 10.482 1.292) 11.877 2.391 ( -0.239 9.327 -0.413) 9.339 2.412 ( 0.120 4.914 -1.775) 5.226 2.500 ( 0.261 6.111 4.434) 7.555 2.607 ( 0.917 -2.931 0.348) 3.091 2.667 ( 0.303 1.053 2.223) 2.479 2.829 ( 1.234 -0.918 -0.744) 1.709 2.900 ( 1.528 -2.263 1.360) 3.050 3.022 ( 1.572 -0.076 0.244) 1.593 3.124 ( -1.825 -2.462 -5.081) 5.934 3.174 ( 2.176 0.582 1.423) 2.664 3.242 ( 1.517 -3.028 0.170) 3.391 3.285 ( 0.308 1.826 -0.271) 1.871 3.310 ( -1.203 8.190 0.070) 8.278 3.434 ( 0.136 -2.011 -1.392) 2.449 3.509 ( 0.361 1.249 -1.094) 1.699 3.594 ( -2.839 4.692 2.047) 5.854 3.632 ( -3.077 4.212 0.609) 5.252 3.726 ( -6.555 -0.347 1.550) 6.744 3.754 ( -5.174 -0.047 1.175) 5.306 3.871 ( -1.980 -1.655 -0.470) 2.623 3.994 ( -1.751 -5.230 2.609) 6.102 4.113 ( 0.763 5.747 -1.189) 5.918 4.235 ( 1.163 2.419 -1.132) 2.913 4.510 ( 2.511 11.356 -2.504) 11.897 4.566 ( 1.822 8.585 -2.893) 9.241 4.778 ( 2.317 9.608 0.745) 9.911 4.872 ( -1.837 3.247 3.032) 4.807 5.017 ( 3.656 -6.258 0.259) 7.253 5.171 ( 1.092 -3.434 -3.335) 4.910 5.491 ( -2.227 0.231 -2.823) 3.603 5.550 ( -2.188 0.071 -1.786) 2.825 6.290 ( -0.976 2.703 0.624) 2.941 6.378 ( -0.925 1.238 2.375) 2.833 6.519 ( 0.659 5.039 -5.240) 7.300 6.582 ( -1.903 1.113 -5.218) 5.665 6.833 ( -0.658 -4.834 0.584) 4.913 6.872 ( -0.777 -5.362 4.989) 7.365 7.063 ( -0.889 0.258 7.344) 7.403 7.252 ( 0.327 -6.523 11.727) 13.423 7.571 ( -1.464 0.068 -3.340) 3.647 7.723 ( -1.379 -6.614 -2.590) 7.235 7.992 ( 0.395 6.336 -1.648) 6.559 8.022 ( -1.116 2.199 -2.480) 3.497 8.144 ( -0.290 -3.707 3.533) 5.129 8.268 ( 1.751 -4.713 -6.379) 8.122 8.421 ( -0.266 2.707 7.208) 7.704 8.536 ( -0.102 1.183 -2.178) 2.481 9.164 ( 0.917 -0.040 -7.804) 7.858 9.271 ( 1.168 -4.286 -4.379) 6.237 9.455 ( 1.017 2.084 -0.978) 2.516 9.651 ( 0.704 -6.421 -4.094) 7.647 10.300 ( -1.560 -0.242 4.351) 4.628 10.404 ( -1.028 -5.593 4.763) 7.418 11.580 ( 1.150 10.126 -3.417) 10.749 11.874 ( 0.710 -4.809 -5.537) 7.368 12.430 ( -0.631 -1.764 3.549) 4.014 12.579 ( -0.731 -9.506 8.335) 12.664 13.326 ( 0.199 5.332 -5.256) 7.490 13.498 ( 1.899 3.279 -5.176) 6.414 13.773 ( 1.039 -1.244 -4.438) 4.725 13.830 ( -1.611 4.684 -6.214) 7.946 14.008 ( 2.161 -1.775 0.150) 2.801 14.189 ( -2.007 -8.347 -1.883) 8.789 14.571 ( -1.963 3.917 1.995) 4.814 14.753 ( -0.266 -2.808 -4.327) 5.165 15.282 ( 0.043 1.152 5.366) 5.488 15.433 ( 0.248 -4.950 3.348) 5.981 16.170 ( -0.603 2.409 9.967) 10.271 16.254 ( -1.108 -1.686 8.476) 8.713 16.687 ( 0.658 7.618 -0.335) 7.654 16.988 ( 0.362 -6.544 -1.600) 6.746 24.639 ( 0.112 0.368 -0.036) 0.386 24.665 ( 0.248 -0.919 -0.528) 1.088 24.846 ( 0.297 1.212 -0.069) 1.250 24.867 ( 0.341 0.209 -0.471) 0.618 26.164 ( -0.026 0.987 0.493) 1.104 26.274 ( 1.510 -4.275 0.012) 4.534 26.419 ( -1.204 1.684 3.169) 3.785 26.472 ( -1.233 -1.010 4.686) 4.950 26.813 ( -0.061 1.166 2.143) 2.440 26.925 ( -1.592 -5.060 1.286) 5.458 27.801 ( 1.268 9.122 -13.825) 16.612 27.988 ( -0.507 -0.165 -11.406) 11.418 28.889 ( -0.761 4.561 3.711) 5.929 29.100 ( -0.402 -5.503 -0.632) 5.554 29.431 ( -0.184 6.701 7.824) 10.303 29.699 ( 0.503 -6.686 2.650) 7.210 ======================= Grid point 65 (36/80) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.426 ( 4.262 -8.650 1.401) 9.744 1.426 ( 4.262 8.650 1.401) 9.744 1.708 ( -3.419 -5.582 10.739) 12.577 1.708 ( -3.419 5.582 10.739) 12.577 1.880 ( 0.835 -2.279 -1.807) 3.026 1.880 ( 0.835 2.279 -1.807) 3.026 2.214 ( 3.063 -4.300 -2.273) 5.747 2.214 ( 3.063 4.300 -2.273) 5.747 2.380 ( -2.985 -4.448 0.403) 5.372 2.380 ( -2.985 4.448 0.403) 5.372 2.560 ( 2.564 -5.617 -2.660) 6.723 2.560 ( 2.564 5.617 -2.660) 6.723 2.705 ( 2.193 -3.022 3.038) 4.814 2.705 ( 2.193 3.022 3.038) 4.814 2.897 ( 0.236 -1.986 2.798) 3.439 2.897 ( 0.236 1.986 2.798) 3.439 2.970 ( -4.348 -2.648 -4.478) 6.780 2.970 ( -4.348 2.648 -4.478) 6.780 3.228 ( -1.074 -1.603 -0.316) 1.955 3.228 ( -1.074 1.603 -0.316) 1.955 3.339 ( -1.402 -4.963 -1.625) 5.407 3.339 ( -1.402 4.963 -1.625) 5.407 3.466 ( 2.749 -3.760 3.407) 5.771 3.466 ( 2.749 3.760 3.407) 5.771 3.634 ( -2.062 -1.078 1.983) 3.057 3.634 ( -2.062 1.078 1.983) 3.057 3.689 ( -1.750 -8.901 -1.214) 9.153 3.689 ( -1.750 8.901 -1.214) 9.153 3.815 ( 0.490 -5.233 3.582) 6.360 3.815 ( 0.490 5.233 3.582) 6.360 4.203 ( -1.593 -4.092 -2.950) 5.290 4.203 ( -1.593 4.092 -2.950) 5.290 4.661 ( -0.443 -1.179 -4.404) 4.581 4.661 ( -0.443 1.179 -4.404) 4.581 4.906 ( 1.448 -3.442 3.662) 5.230 4.906 ( 1.448 3.442 3.662) 5.230 5.155 ( 3.846 -4.689 -2.161) 6.438 5.155 ( 3.846 4.689 -2.161) 6.438 5.451 ( -1.408 -4.372 -0.439) 4.614 5.451 ( -1.408 4.372 -0.439) 4.614 6.337 ( -0.264 -2.887 0.232) 2.908 6.337 ( -0.264 2.887 0.232) 2.908 6.597 ( 0.896 -1.027 -5.781) 5.940 6.597 ( 0.896 1.027 -5.781) 5.940 6.781 ( -0.813 -3.633 0.404) 3.745 6.781 ( -0.813 3.633 0.404) 3.745 7.127 ( -1.373 -6.918 12.181) 14.075 7.127 ( -1.373 6.918 12.181) 14.075 7.598 ( 0.586 -4.017 -2.492) 4.764 7.598 ( 0.586 4.017 -2.492) 4.764 8.057 ( -0.387 -1.439 -0.691) 1.642 8.057 ( -0.387 1.439 -0.691) 1.642 8.155 ( 1.097 -6.028 -0.272) 6.133 8.155 ( 1.097 6.028 -0.272) 6.133 8.503 ( -0.267 -4.125 1.395) 4.363 8.503 ( -0.267 4.125 1.395) 4.363 9.196 ( 0.375 -3.449 -6.375) 7.258 9.196 ( 0.375 3.449 -6.375) 7.258 9.534 ( 0.160 -5.040 -2.814) 5.774 9.534 ( 0.160 5.040 -2.814) 5.774 10.311 ( -0.377 -2.906 3.887) 4.868 10.311 ( -0.377 2.906 3.887) 4.868 11.766 ( 0.552 -7.247 -4.865) 8.746 11.766 ( 0.552 7.247 -4.865) 8.746 12.440 ( -0.717 -3.805 6.151) 7.268 12.440 ( -0.717 3.805 6.151) 7.268 13.437 ( 0.453 -6.100 -6.229) 8.730 13.437 ( 0.453 6.100 -6.229) 8.730 13.840 ( 1.367 -0.734 -4.373) 4.641 13.840 ( 1.367 0.734 -4.373) 4.641 14.048 ( -0.826 -2.096 -0.453) 2.298 14.048 ( -0.826 2.096 -0.453) 2.298 14.659 ( 0.353 -6.419 -0.634) 6.460 14.659 ( 0.353 6.419 -0.634) 6.460 15.342 ( -0.381 -4.403 3.895) 5.892 15.342 ( -0.381 4.403 3.895) 5.892 16.217 ( -0.696 -1.624 9.100) 9.270 16.217 ( -0.696 1.624 9.100) 9.270 16.846 ( 0.024 -7.563 -1.037) 7.634 16.846 ( 0.024 7.563 -1.037) 7.634 24.653 ( 0.179 -0.743 -0.073) 0.768 24.653 ( 0.179 0.743 -0.073) 0.768 24.866 ( -0.074 -0.613 -0.494) 0.791 24.866 ( -0.074 0.613 -0.494) 0.791 26.207 ( -0.404 -2.873 0.300) 2.917 26.207 ( -0.404 2.873 0.300) 2.917 26.446 ( 0.136 -1.301 4.008) 4.216 26.446 ( 0.136 1.301 4.008) 4.216 26.843 ( -0.289 -2.070 1.990) 2.886 26.843 ( -0.289 2.070 1.990) 2.886 27.932 ( 1.094 -3.693 -13.229) 13.778 27.932 ( 1.094 3.693 -13.229) 13.778 28.983 ( -0.280 -5.583 1.416) 5.767 28.983 ( -0.280 5.583 1.416) 5.767 29.572 ( -0.274 -6.471 5.215) 8.315 29.572 ( -0.274 6.471 5.215) 8.315 ======================= Grid point 67 (37/80) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.491 ( -1.152 -9.123 4.962) 10.449 1.491 ( -1.152 9.123 4.962) 10.449 1.655 ( -0.836 -5.350 7.233) 9.035 1.655 ( -0.836 5.350 7.233) 9.035 1.895 ( 0.594 -2.171 0.496) 2.305 1.895 ( 0.594 2.171 0.496) 2.305 2.253 ( -1.400 -2.162 0.574) 2.639 2.253 ( -1.400 2.162 0.574) 2.639 2.354 ( 2.594 -4.848 -1.551) 5.713 2.354 ( 2.594 4.848 -1.551) 5.713 2.506 ( -6.724 -5.831 0.185) 8.902 2.506 ( -6.724 5.831 0.185) 8.902 2.763 ( 1.406 -3.073 3.096) 4.583 2.763 ( 1.406 3.073 3.096) 4.583 2.852 ( -5.145 -0.630 3.876) 6.472 2.852 ( -5.145 0.630 3.876) 6.472 2.911 ( 2.589 -1.531 -7.752) 8.315 2.911 ( 2.589 1.531 -7.752) 8.315 3.186 ( -2.293 -1.863 -1.735) 3.426 3.186 ( -2.293 1.863 -1.735) 3.426 3.348 ( 1.274 -2.184 0.268) 2.542 3.348 ( 1.274 2.184 0.268) 2.542 3.488 ( -3.114 -2.748 -0.081) 4.154 3.488 ( -3.114 2.748 -0.081) 4.154 3.597 ( 2.336 -6.191 -1.521) 6.790 3.597 ( 2.336 6.191 -1.521) 6.790 3.724 ( 3.721 -7.933 0.416) 8.772 3.724 ( 3.721 7.933 0.416) 8.772 3.909 ( 6.584 -4.879 4.176) 9.198 3.909 ( 6.584 4.879 4.176) 9.198 4.150 ( -2.855 -3.624 -3.271) 5.656 4.150 ( -2.855 3.624 -3.271) 5.656 4.638 ( -0.796 -2.211 -4.642) 5.203 4.638 ( -0.796 2.211 -4.642) 5.203 4.912 ( -1.153 -5.148 5.192) 7.402 4.912 ( -1.153 5.148 5.192) 7.402 5.166 ( -2.567 -8.625 0.627) 9.020 5.166 ( -2.567 8.625 0.627) 9.020 5.490 ( 4.485 -2.091 -2.692) 5.633 5.490 ( 4.484 2.091 -2.692) 5.633 6.343 ( 0.689 -2.490 0.481) 2.628 6.343 ( 0.689 2.490 0.481) 2.628 6.614 ( 1.479 -2.111 -5.344) 5.933 6.614 ( 1.479 2.111 -5.344) 5.933 6.758 ( -1.059 -5.238 -0.019) 5.344 6.758 ( -1.059 5.238 -0.019) 5.344 7.121 ( -1.408 -7.800 12.945) 15.179 7.121 ( -1.408 7.800 12.945) 15.179 7.621 ( 1.821 -3.411 -2.773) 4.758 7.621 ( 1.821 3.411 -2.773) 4.758 8.051 ( -0.115 -0.242 -0.295) 0.398 8.051 ( -0.115 0.242 -0.295) 0.398 8.168 ( 0.119 -5.085 -0.660) 5.129 8.168 ( 0.119 5.085 -0.660) 5.129 8.506 ( 0.330 -4.504 0.851) 4.596 8.506 ( 0.330 4.504 0.851) 4.596 9.187 ( 0.057 -3.646 -6.786) 7.704 9.187 ( 0.057 3.646 -6.786) 7.704 9.525 ( -0.411 -5.096 -2.635) 5.752 9.525 ( -0.411 5.096 -2.635) 5.752 10.322 ( 0.594 -2.994 3.932) 4.978 10.322 ( 0.594 2.994 3.932) 4.978 11.762 ( -0.021 -7.509 -4.809) 8.917 11.762 ( -0.021 7.509 -4.809) 8.917 12.439 ( -0.502 -3.636 6.184) 7.191 12.439 ( -0.502 3.636 6.184) 7.191 13.435 ( 0.513 -6.055 -6.183) 8.669 13.435 ( 0.513 6.055 -6.183) 8.669 13.879 ( 2.986 -4.805 -4.117) 6.997 13.879 ( 2.986 4.805 -4.117) 6.997 14.009 ( -2.634 -4.086 -1.145) 4.995 14.009 ( -2.634 4.086 -1.145) 4.995 14.676 ( 1.141 -7.393 -0.072) 7.480 14.676 ( 1.141 7.393 -0.072) 7.480 15.337 ( -0.748 -4.586 3.605) 5.880 15.337 ( -0.748 4.586 3.605) 5.880 16.220 ( -0.683 -0.902 9.230) 9.299 16.220 ( -0.683 0.902 9.230) 9.299 16.840 ( -0.300 -7.424 -1.164) 7.520 16.840 ( -0.300 7.424 -1.164) 7.520 24.655 ( 0.041 -0.821 -0.082) 0.826 24.655 ( 0.041 0.821 -0.082) 0.826 24.860 ( -0.365 -0.694 -0.469) 0.914 24.860 ( -0.365 0.694 -0.469) 0.914 26.192 ( -0.842 -1.862 0.127) 2.047 26.192 ( -0.842 1.862 0.127) 2.047 26.463 ( 0.475 -1.357 4.482) 4.707 26.463 ( 0.475 1.357 4.482) 4.707 26.846 ( 0.229 -2.403 1.737) 2.974 26.846 ( 0.229 2.403 1.737) 2.974 27.937 ( 1.733 -2.877 -13.251) 13.670 27.937 ( 1.733 2.877 -13.251) 13.670 28.985 ( 0.127 -5.788 1.471) 5.973 28.985 ( 0.127 5.788 1.471) 5.973 29.571 ( -0.779 -5.730 5.108) 7.715 29.571 ( -0.779 5.730 5.108) 7.715 ======================= Grid point 69 (38/80) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.396 ( -6.153 -5.200 6.689) 10.471 1.396 ( -6.153 5.200 6.689) 10.471 1.713 ( 2.740 -1.177 5.068) 5.880 1.713 ( 2.740 1.177 5.068) 5.880 1.887 ( -1.821 -1.655 2.754) 3.694 1.887 ( -1.821 1.655 2.754) 3.694 2.175 ( -3.772 -4.495 0.691) 5.908 2.175 ( -3.772 4.495 0.691) 5.908 2.410 ( -1.399 -10.429 2.248) 10.760 2.410 ( -1.399 10.429 2.248) 10.760 2.457 ( 5.213 -4.294 -1.965) 7.034 2.457 ( 5.213 4.294 -1.965) 7.034 2.717 ( -4.601 -1.837 2.378) 5.495 2.717 ( -4.601 1.837 2.378) 5.495 2.777 ( -2.798 -2.301 1.166) 3.806 2.777 ( -2.798 2.301 1.166) 3.806 2.992 ( 4.735 -0.824 -3.952) 6.222 2.992 ( 4.735 0.824 -3.952) 6.222 3.150 ( -0.835 -1.654 -3.664) 4.106 3.150 ( -0.835 1.654 -3.664) 4.106 3.327 ( -1.373 -4.383 -2.291) 5.133 3.327 ( -1.373 4.383 -2.291) 5.133 3.462 ( 0.323 -1.082 1.527) 1.899 3.462 ( 0.323 1.082 1.527) 1.899 3.689 ( 5.803 -5.239 -3.768) 8.679 3.689 ( 5.803 5.239 -3.768) 8.679 3.781 ( 1.204 -5.866 -1.176) 6.103 3.781 ( 1.204 5.866 -1.176) 6.103 4.042 ( 2.165 -3.234 3.515) 5.244 4.042 ( 2.165 3.234 3.515) 5.244 4.088 ( -0.322 -2.931 0.482) 2.988 4.088 ( -0.322 2.931 0.482) 2.988 4.616 ( -0.348 -2.147 -3.932) 4.494 4.616 ( -0.348 2.147 -3.932) 4.494 4.895 ( -1.351 -5.098 5.240) 7.435 4.895 ( -1.351 5.098 5.240) 7.435 5.091 ( -3.932 -11.091 1.115) 11.820 5.091 ( -3.932 11.091 1.115) 11.820 5.566 ( 2.593 -1.358 -3.742) 4.751 5.566 ( 2.593 1.358 -3.742) 4.751 6.360 ( 0.570 -2.336 1.192) 2.684 6.360 ( 0.570 2.336 1.192) 2.684 6.626 ( 0.519 -2.879 -5.448) 6.184 6.626 ( 0.519 2.879 -5.448) 6.184 6.750 ( 0.262 -4.675 1.428) 4.895 6.750 ( 0.262 4.675 1.428) 4.895 7.119 ( -1.044 -6.893 13.173) 14.904 7.119 ( -1.044 6.893 13.173) 14.904 7.646 ( 0.844 -3.096 -3.664) 4.871 7.646 ( 0.844 3.096 -3.664) 4.871 8.054 ( 0.416 -1.156 0.472) 1.316 8.054 ( 0.416 1.156 0.472) 1.316 8.158 ( -0.824 -3.940 -1.861) 4.435 8.158 ( -0.824 3.940 -1.861) 4.435 8.515 ( 0.278 -4.406 0.333) 4.427 8.515 ( 0.278 4.406 0.333) 4.427 9.179 ( 0.491 -3.438 -7.111) 7.913 9.179 ( 0.491 3.438 -7.111) 7.913 9.514 ( -0.075 -5.404 -2.459) 5.937 9.514 ( -0.075 5.404 -2.459) 5.937 10.341 ( 0.249 -2.731 4.079) 4.915 10.341 ( 0.249 2.731 4.079) 4.915 11.752 ( 0.037 -7.827 -4.857) 9.211 11.752 ( 0.037 7.827 -4.857) 9.211 12.442 ( -0.380 -3.418 6.405) 7.269 12.442 ( -0.380 3.418 6.405) 7.269 13.435 ( 0.614 -5.738 -6.032) 8.348 13.435 ( 0.614 5.738 -6.032) 8.348 13.935 ( 1.927 -9.050 -5.485) 10.757 13.935 ( 1.927 9.050 -5.485) 10.757 13.949 ( -1.543 -2.529 -0.660) 3.035 13.949 ( -1.543 2.529 -0.660) 3.035 14.694 ( 0.354 -6.826 0.560) 6.858 14.694 ( 0.354 6.826 0.560) 6.858 15.329 ( -0.542 -4.561 3.370) 5.697 15.329 ( -0.542 4.561 3.370) 5.697 16.221 ( -0.841 -1.354 9.136) 9.274 16.221 ( -0.841 1.354 9.136) 9.274 16.833 ( -0.072 -7.645 -1.227) 7.743 16.833 ( -0.072 7.645 -1.227) 7.743 24.654 ( -0.133 -0.766 -0.286) 0.829 24.654 ( -0.133 0.766 -0.286) 0.829 24.853 ( -0.096 -0.703 -0.294) 0.768 24.853 ( -0.096 0.703 -0.294) 0.768 26.180 ( -0.161 -1.004 0.086) 1.020 26.180 ( -0.161 1.004 0.086) 1.020 26.474 ( -0.363 -1.342 4.815) 5.012 26.474 ( -0.363 1.342 4.815) 5.012 26.855 ( 0.204 -3.123 1.517) 3.478 26.855 ( 0.204 3.123 1.517) 3.478 27.949 ( 1.607 -3.742 -13.250) 13.862 27.949 ( 1.607 3.742 -13.250) 13.862 28.992 ( 0.175 -5.832 1.697) 6.076 28.992 ( 0.175 5.832 1.697) 6.076 29.562 ( -0.832 -5.575 4.809) 7.410 29.562 ( -0.832 5.575 4.809) 7.410 ======================= Grid point 71 (39/80) ======================= q-point: (-0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.324 ( -1.360 -5.949 4.415) 7.532 1.324 ( -1.360 5.949 4.415) 7.532 1.735 ( -0.825 -1.909 4.484) 4.943 1.735 ( -0.825 1.909 4.484) 4.943 1.869 ( -0.271 -3.225 4.328) 5.404 1.869 ( -0.271 3.225 4.328) 5.404 2.146 ( 0.465 -4.529 -1.593) 4.823 2.146 ( 0.465 4.529 -1.593) 4.823 2.405 ( 0.393 -11.606 1.387) 11.695 2.405 ( 0.393 11.606 1.387) 11.695 2.529 ( 0.948 -6.252 1.621) 6.528 2.529 ( 0.948 6.252 1.621) 6.528 2.633 ( -2.620 -6.151 -0.408) 6.699 2.633 ( -2.620 6.151 -0.408) 6.699 2.771 ( 2.394 -5.339 1.562) 6.056 2.771 ( 2.394 5.339 1.562) 6.056 3.067 ( 2.132 -2.688 -1.195) 3.633 3.067 ( 2.132 2.688 -1.195) 3.633 3.131 ( 0.646 -0.441 -3.274) 3.366 3.131 ( 0.646 0.441 -3.274) 3.366 3.331 ( 1.593 -4.149 -2.734) 5.218 3.331 ( 1.593 4.149 -2.734) 5.218 3.467 ( -0.194 -3.407 -0.173) 3.417 3.467 ( -0.194 3.407 -0.173) 3.417 3.764 ( -2.269 -3.086 -1.756) 4.214 3.764 ( -2.269 3.086 -1.756) 4.214 3.787 ( 3.179 -3.010 -1.885) 4.766 3.787 ( 3.179 3.010 -1.885) 4.766 3.961 ( -6.442 -5.307 3.071) 8.893 3.961 ( -6.442 5.307 3.071) 8.893 4.167 ( 3.505 -3.967 1.973) 5.649 4.167 ( 3.505 3.967 1.973) 5.649 4.622 ( 1.735 -1.977 -2.733) 3.793 4.622 ( 1.735 1.977 -2.733) 3.793 4.866 ( -2.280 -3.916 4.109) 6.117 4.866 ( -2.280 3.916 4.109) 6.117 5.044 ( -0.210 -10.301 -0.383) 10.310 5.044 ( -0.210 10.301 -0.383) 10.310 5.574 ( -1.103 -1.961 -3.374) 4.056 5.574 ( -1.103 1.961 -3.374) 4.056 6.364 ( -0.412 -2.634 1.325) 2.977 6.364 ( -0.412 2.634 1.325) 2.977 6.618 ( -0.205 -2.264 -5.431) 5.888 6.618 ( -0.205 2.264 -5.431) 5.888 6.767 ( 0.796 -2.800 2.196) 3.646 6.767 ( 0.796 2.800 2.196) 3.646 7.125 ( -0.782 -5.444 12.725) 13.862 7.125 ( -0.782 5.444 12.725) 13.862 7.638 ( -0.829 -3.703 -4.027) 5.533 7.638 ( -0.829 3.703 -4.027) 5.534 8.066 ( 0.400 -1.844 1.090) 2.180 8.066 ( 0.400 1.844 1.090) 2.180 8.136 ( -0.611 -4.543 -2.823) 5.383 8.136 ( -0.611 4.543 -2.823) 5.383 8.516 ( -0.237 -4.040 0.609) 4.093 8.516 ( -0.237 4.040 0.609) 4.093 9.183 ( 1.095 -3.016 -6.864) 7.577 9.183 ( 1.095 3.016 -6.864) 7.577 9.516 ( 0.675 -5.539 -2.567) 6.142 9.516 ( 0.675 5.539 -2.567) 6.142 10.342 ( -0.928 -2.464 4.130) 4.898 10.342 ( -0.928 2.464 4.130) 4.898 11.749 ( 0.652 -7.774 -4.942) 9.235 11.749 ( 0.652 7.774 -4.942) 9.235 12.445 ( -0.507 -3.454 6.513) 7.390 12.445 ( -0.507 3.454 6.513) 7.390 13.437 ( 0.606 -5.559 -5.968) 8.179 13.437 ( 0.606 5.559 -5.968) 8.179 13.885 ( -2.224 -7.045 -4.388) 8.593 13.885 ( -2.224 7.045 -4.388) 8.593 13.997 ( 2.762 -8.186 -1.942) 8.855 13.997 ( 2.762 8.186 -1.942) 8.855 14.689 ( -0.881 -5.521 0.429) 5.607 14.689 ( -0.881 5.521 0.429) 5.607 15.329 ( -0.024 -4.342 3.526) 5.594 15.329 ( -0.024 4.342 3.526) 5.594 16.219 ( -0.961 -2.054 8.944) 9.228 16.219 ( -0.961 2.054 8.944) 9.228 16.835 ( 0.395 -7.907 -1.137) 7.998 16.835 ( 0.395 7.907 -1.137) 7.998 24.650 ( -0.101 -0.668 -0.393) 0.782 24.650 ( -0.101 0.668 -0.393) 0.782 24.856 ( 0.348 -0.613 -0.218) 0.738 24.856 ( 0.348 0.613 -0.218) 0.738 26.186 ( 0.639 -1.777 0.203) 1.899 26.186 ( 0.639 1.777 0.203) 1.899 26.466 ( -1.156 -1.275 4.594) 4.906 26.466 ( -1.156 1.275 4.594) 4.906 26.857 ( -0.319 -3.231 1.616) 3.627 26.857 ( -0.319 3.231 1.616) 3.627 27.950 ( 0.901 -4.825 -13.228) 14.110 27.950 ( 0.901 4.825 -13.228) 14.110 28.995 ( -0.226 -5.633 1.782) 5.913 28.995 ( -0.226 5.633 1.782) 5.913 29.558 ( -0.341 -6.255 4.731) 7.850 29.558 ( -0.341 6.255 4.731) 7.850 ======================= Grid point 73 (40/80) ======================= q-point: (-0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.349 ( 2.703 -7.908 1.888) 8.568 1.349 ( 2.703 7.908 1.888) 8.568 1.732 ( -0.793 -3.253 7.516) 8.228 1.732 ( -0.793 3.253 7.516) 8.228 1.869 ( -0.005 -2.776 1.329) 3.078 1.869 ( -0.005 2.776 1.329) 3.078 2.168 ( 1.910 -4.249 -2.910) 5.493 2.168 ( 1.910 4.249 -2.910) 5.493 2.421 ( 0.192 -5.590 -2.091) 5.971 2.421 ( 0.192 5.590 -2.091) 5.971 2.519 ( -0.285 -6.213 1.085) 6.314 2.519 ( -0.285 6.213 1.085) 6.314 2.643 ( 2.672 -4.801 3.267) 6.392 2.643 ( 2.672 4.801 3.267) 6.392 2.845 ( 3.588 -3.880 1.941) 5.630 2.845 ( 3.588 3.880 1.941) 5.630 3.045 ( -2.457 -3.590 -3.361) 5.498 3.045 ( -2.457 3.590 -3.361) 5.498 3.198 ( 4.112 -1.244 0.456) 4.320 3.198 ( 4.112 1.244 0.456) 4.320 3.353 ( 0.427 -4.162 -1.953) 4.617 3.353 ( 0.427 4.162 -1.953) 4.617 3.455 ( -0.659 -5.141 -1.017) 5.282 3.455 ( -0.659 5.141 -1.017) 5.282 3.700 ( -3.848 -2.215 1.903) 4.831 3.700 ( -3.848 2.215 1.903) 4.831 3.755 ( -5.192 -2.842 -1.779) 6.180 3.755 ( -5.192 2.842 -1.779) 6.180 3.857 ( -3.436 -4.864 5.005) 7.779 3.857 ( -3.436 4.865 5.005) 7.779 4.217 ( 0.964 -3.754 -1.134) 4.038 4.217 ( 0.964 3.754 -1.134) 4.038 4.660 ( 1.544 -1.554 -3.337) 3.992 4.660 ( 1.544 1.554 -3.337) 3.992 4.855 ( 1.425 -4.307 3.145) 5.520 4.855 ( 1.425 4.307 3.145) 5.520 5.075 ( 3.160 -7.331 -1.745) 8.171 5.075 ( 3.160 7.331 -1.745) 8.171 5.517 ( -3.537 -3.471 -1.845) 5.288 5.517 ( -3.537 3.471 -1.845) 5.288 6.351 ( -0.941 -2.912 0.777) 3.157 6.351 ( -0.941 2.912 0.777) 3.157 6.602 ( -0.210 -1.742 -5.748) 6.009 6.602 ( -0.210 1.742 -5.748) 6.009 6.784 ( 0.309 -2.474 1.658) 2.994 6.784 ( 0.309 2.474 1.658) 2.994 7.130 ( -1.029 -5.457 12.055) 13.273 7.130 ( -1.029 5.457 12.055) 13.273 7.609 ( -0.971 -4.236 -3.284) 5.447 7.609 ( -0.971 4.236 -3.284) 5.447 8.067 ( -0.382 -1.812 0.185) 1.861 8.067 ( -0.382 1.812 0.185) 1.861 8.134 ( 0.871 -6.141 -1.676) 6.424 8.134 ( 0.871 6.141 -1.676) 6.424 8.510 ( -0.506 -3.841 1.312) 4.090 8.510 ( -0.506 3.841 1.312) 4.090 9.194 ( 0.981 -3.059 -6.416) 7.176 9.194 ( 0.981 3.059 -6.416) 7.176 9.528 ( 0.837 -5.334 -2.797) 6.081 9.528 ( 0.837 5.334 -2.797) 6.081 10.323 ( -1.330 -2.582 4.013) 4.954 10.323 ( -1.330 2.582 4.013) 4.954 11.758 ( 0.962 -7.417 -4.947) 8.967 11.758 ( 0.962 7.417 -4.947) 8.967 12.444 ( -0.718 -3.695 6.358) 7.389 12.444 ( -0.718 3.695 6.358) 7.389 13.438 ( 0.539 -5.790 -6.080) 8.413 13.438 ( 0.539 5.790 -6.080) 8.413 13.843 ( -0.830 -4.268 -4.691) 6.396 13.843 ( -0.830 4.268 -4.691) 6.396 14.041 ( 1.525 -5.746 -0.836) 6.003 14.041 ( 1.525 5.746 -0.836) 6.003 14.667 ( -0.964 -5.242 -0.311) 5.339 14.667 ( -0.964 5.242 -0.311) 5.339 15.338 ( 0.063 -4.245 3.857) 5.736 15.338 ( 0.063 4.245 3.857) 5.736 16.216 ( -0.871 -2.174 8.920) 9.222 16.216 ( -0.871 2.174 8.920) 9.222 16.843 ( 0.452 -7.857 -1.020) 7.936 16.843 ( 0.452 7.857 -1.020) 7.936 24.650 ( 0.111 -0.662 -0.255) 0.718 24.650 ( 0.111 0.662 -0.255) 0.718 24.864 ( 0.350 -0.555 -0.347) 0.743 24.864 ( 0.350 0.555 -0.347) 0.743 26.202 ( 0.674 -2.862 0.343) 2.961 26.202 ( 0.674 2.862 0.343) 2.961 26.449 ( -1.058 -1.343 4.098) 4.440 26.449 ( -1.058 1.343 4.098) 4.440 26.850 ( -0.608 -2.676 1.898) 3.337 26.850 ( -0.608 2.676 1.898) 3.337 27.940 ( 0.578 -4.784 -13.217) 14.068 27.940 ( 0.578 4.784 -13.217) 14.068 28.990 ( -0.508 -5.479 1.601) 5.731 28.990 ( -0.508 5.479 1.601) 5.731 29.565 ( 0.005 -6.777 4.989) 8.415 29.565 ( 0.005 6.777 4.989) 8.415 ======================= Grid point 90 (41/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.918 ( -4.028 0.000 24.689) 25.015 0.958 ( -0.378 0.000 20.163) 20.167 1.500 ( 2.061 0.000 -6.490) 6.810 1.706 ( 5.405 0.000 -6.031) 8.099 1.719 ( 6.831 0.000 2.956) 7.443 1.726 ( 2.304 0.000 24.074) 24.184 1.861 ( 4.189 0.000 1.969) 4.628 1.983 ( 0.131 0.000 -4.714) 4.716 2.012 ( -2.423 0.000 -0.611) 2.499 2.137 ( -1.648 0.000 9.115) 9.263 2.154 ( 2.258 0.000 -5.576) 6.016 2.507 ( -1.051 0.000 1.903) 2.174 2.516 ( -4.519 0.000 17.790) 18.355 2.656 ( -0.914 0.000 1.619) 1.859 2.756 ( -8.393 0.000 -3.796) 9.212 2.821 ( -1.496 0.000 -11.411) 11.509 2.842 ( 3.565 0.000 -2.834) 4.554 3.001 ( -4.411 0.000 -4.014) 5.964 3.035 ( 4.984 0.000 -3.342) 6.001 3.166 ( 0.581 0.000 -5.449) 5.480 3.244 ( 0.725 0.000 6.847) 6.885 3.264 ( -0.196 0.000 -1.081) 1.099 3.412 ( -5.496 0.000 -0.603) 5.529 3.452 ( 1.960 0.000 1.940) 2.757 3.474 ( -4.565 0.000 -0.719) 4.621 3.646 ( 2.525 0.000 -1.174) 2.784 3.721 ( -0.424 0.000 3.365) 3.391 3.758 ( -3.452 0.000 2.076) 4.028 3.762 ( -6.154 0.000 1.215) 6.273 3.812 ( 2.604 0.000 0.145) 2.608 3.962 ( 0.876 0.000 1.081) 1.391 4.003 ( -0.150 0.000 1.382) 1.390 4.029 ( 7.069 0.000 2.127) 7.382 4.129 ( 0.370 0.000 -1.173) 1.230 4.513 ( 0.704 0.000 -11.021) 11.044 4.656 ( 2.029 0.000 -22.042) 22.135 4.863 ( -6.129 0.000 4.525) 7.618 5.131 ( 1.696 0.000 -8.534) 8.701 5.524 ( 0.328 0.000 8.553) 8.559 5.653 ( -1.849 0.000 3.996) 4.403 6.098 ( -1.076 0.000 5.191) 5.301 6.274 ( 0.616 0.000 -4.947) 4.985 6.408 ( -2.410 0.000 2.654) 3.585 6.584 ( 10.186 0.000 -5.673) 11.659 7.160 ( -0.800 0.000 5.592) 5.649 7.236 ( -0.130 0.000 1.082) 1.090 7.290 ( -1.027 0.000 9.291) 9.348 7.325 ( -1.597 0.000 4.092) 4.392 7.449 ( 1.411 0.000 0.460) 1.484 7.631 ( -2.280 0.000 -5.953) 6.374 7.888 ( 0.951 0.000 0.853) 1.278 7.908 ( 2.496 0.000 -3.271) 4.114 7.972 ( 0.419 0.000 -3.825) 3.847 8.156 ( 0.288 0.000 -9.566) 9.570 8.499 ( -1.694 0.000 11.506) 11.630 8.926 ( -0.362 0.000 -8.620) 8.628 9.200 ( 0.292 0.000 -2.679) 2.695 9.301 ( -0.604 0.000 -9.176) 9.196 9.554 ( 1.845 0.000 8.742) 8.935 9.898 ( -0.746 0.000 -7.927) 7.962 10.620 ( -0.611 0.000 10.738) 10.755 10.979 ( 1.391 0.000 -7.201) 7.334 11.092 ( -1.573 0.000 20.164) 20.226 11.922 ( 1.459 0.000 -17.604) 17.665 12.649 ( -1.329 0.000 5.372) 5.535 12.834 ( 0.584 0.000 -0.523) 0.784 13.043 ( 0.562 0.000 0.022) 0.562 13.169 ( 0.070 0.000 -2.098) 2.099 13.529 ( -0.892 0.000 11.854) 11.888 14.130 ( 2.510 0.000 2.560) 3.585 14.188 ( -0.260 0.000 -15.845) 15.847 14.248 ( -8.739 0.000 -2.892) 9.205 14.478 ( -2.927 0.000 -1.398) 3.244 14.485 ( 6.861 0.000 -0.455) 6.876 15.509 ( -0.913 0.000 7.516) 7.571 15.664 ( 1.172 0.000 0.501) 1.275 16.394 ( -3.163 0.000 6.103) 6.874 16.470 ( 1.614 0.000 1.217) 2.021 16.789 ( 5.527 0.000 3.717) 6.661 17.047 ( -0.364 0.000 -6.686) 6.696 24.660 ( -0.134 0.000 0.322) 0.349 24.687 ( 0.314 0.000 -1.063) 1.108 24.792 ( -0.275 0.000 0.862) 0.905 24.812 ( 0.131 0.000 -0.166) 0.211 26.272 ( 5.279 0.000 1.993) 5.643 26.339 ( 0.270 0.000 -0.197) 0.334 26.394 ( -1.107 0.000 2.188) 2.452 26.515 ( -2.193 0.000 -1.497) 2.655 26.933 ( -0.041 0.000 4.546) 4.546 27.084 ( -0.200 0.000 4.509) 4.513 27.277 ( 0.682 0.000 -7.345) 7.377 27.374 ( -5.067 0.000 -5.903) 7.780 28.863 ( -2.936 0.000 8.001) 8.523 29.180 ( 0.710 0.000 -7.026) 7.062 29.823 ( 3.835 0.000 4.512) 5.922 29.929 ( 0.192 0.000 -0.225) 0.296 ======================= Grid point 91 (42/80) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( 2.794 0.000 18.182) 18.396 1.060 ( 6.426 0.000 17.472) 18.616 1.525 ( 2.034 0.000 -10.520) 10.715 1.656 ( -7.080 0.000 -1.618) 7.262 1.791 ( -2.146 0.000 -1.847) 2.831 1.882 ( 1.959 0.000 3.881) 4.348 1.921 ( 0.698 0.000 2.457) 2.554 1.991 ( 2.168 0.000 -1.178) 2.467 2.016 ( 4.325 0.000 8.413) 9.460 2.047 ( -7.210 0.000 -19.155) 20.467 2.196 ( 3.540 0.000 15.506) 15.905 2.445 ( -5.792 0.000 5.271) 7.831 2.467 ( -5.735 0.000 19.455) 20.282 2.586 ( -0.842 0.000 3.156) 3.266 2.659 ( 2.831 0.000 0.230) 2.840 2.867 ( 2.491 0.000 -7.736) 8.127 2.905 ( 3.657 0.000 -6.338) 7.318 2.991 ( 6.733 0.000 -3.023) 7.380 3.146 ( 0.482 0.000 1.985) 2.043 3.162 ( 0.633 0.000 -6.608) 6.638 3.250 ( -0.963 0.000 -2.784) 2.946 3.285 ( 1.441 0.000 0.665) 1.587 3.374 ( 3.081 0.000 5.647) 6.433 3.392 ( -2.718 0.000 1.051) 2.914 3.478 ( -1.370 0.000 2.415) 2.777 3.511 ( -12.491 0.000 6.854) 14.248 3.679 ( 0.870 0.000 -2.398) 2.551 3.722 ( -0.242 0.000 3.384) 3.392 3.749 ( -0.883 0.000 0.151) 0.896 3.858 ( 1.491 0.000 -1.094) 1.850 3.963 ( -0.368 0.000 -0.778) 0.861 4.012 ( 0.711 0.000 1.018) 1.242 4.151 ( 1.902 0.000 -1.063) 2.179 4.215 ( 9.087 0.000 -0.863) 9.128 4.487 ( -1.071 0.000 -9.086) 9.149 4.645 ( 0.897 0.000 -22.162) 22.180 4.868 ( 4.000 0.000 3.697) 5.446 5.166 ( 2.560 0.000 -6.308) 6.808 5.535 ( -0.598 0.000 9.368) 9.387 5.610 ( -2.401 0.000 2.333) 3.348 6.083 ( -1.113 0.000 5.735) 5.842 6.284 ( 0.948 0.000 -4.145) 4.252 6.395 ( 0.936 0.000 2.165) 2.359 6.906 ( 18.428 0.000 -12.554) 22.298 7.148 ( -1.186 0.000 4.648) 4.797 7.226 ( -1.274 0.000 -2.333) 2.659 7.288 ( -0.895 0.000 10.065) 10.105 7.305 ( -0.947 0.000 4.750) 4.844 7.466 ( 0.004 0.000 0.977) 0.977 7.600 ( 0.430 0.000 -6.026) 6.041 7.909 ( 0.421 0.000 2.343) 2.381 7.928 ( 0.883 0.000 -9.365) 9.407 7.999 ( 1.825 0.000 2.015) 2.719 8.163 ( 2.268 0.000 -10.980) 11.212 8.513 ( 1.245 0.000 12.430) 12.492 8.920 ( 1.297 0.000 -6.813) 6.936 9.115 ( -8.516 0.000 1.596) 8.665 9.263 ( -1.234 0.000 -9.673) 9.751 9.568 ( -1.916 0.000 7.383) 7.627 9.764 ( -7.543 0.000 -6.458) 9.930 10.612 ( -1.879 0.000 10.063) 10.237 10.981 ( 0.241 0.000 -7.749) 7.753 11.092 ( -2.022 0.000 20.045) 20.146 11.918 ( 1.351 0.000 -17.754) 17.805 12.647 ( 0.013 0.000 5.469) 5.469 12.847 ( 0.603 0.000 -0.120) 0.615 13.063 ( 1.199 0.000 -0.394) 1.262 13.168 ( 0.214 0.000 -2.059) 2.070 13.576 ( 2.212 0.000 9.573) 9.825 14.153 ( -0.639 0.000 -12.158) 12.175 14.157 ( -0.384 0.000 -1.331) 1.386 14.221 ( 5.625 0.000 4.827) 7.413 14.408 ( -2.889 0.000 -5.927) 6.594 14.645 ( 8.255 0.000 -2.227) 8.550 15.499 ( -1.274 0.000 7.218) 7.329 15.681 ( 0.377 0.000 -0.274) 0.466 16.317 ( -4.912 0.000 5.560) 7.420 16.479 ( -1.057 0.000 0.931) 1.409 16.800 ( -4.014 0.000 4.883) 6.321 17.028 ( 0.101 0.000 -7.553) 7.553 24.651 ( -0.628 0.000 0.366) 0.727 24.687 ( -0.114 0.000 -1.195) 1.201 24.790 ( -0.069 0.000 0.936) 0.938 24.816 ( 0.271 0.000 -0.181) 0.326 26.350 ( 0.613 0.000 -1.745) 1.849 26.392 ( 0.524 0.000 3.973) 4.007 26.432 ( 6.922 0.000 -2.638) 7.408 26.465 ( -1.452 0.000 -1.724) 2.254 26.931 ( -0.984 0.000 5.593) 5.679 27.095 ( 0.298 0.000 5.088) 5.097 27.277 ( 0.634 0.000 -7.071) 7.099 27.388 ( 6.922 0.000 -5.654) 8.937 28.855 ( 0.533 0.000 9.306) 9.321 29.197 ( 1.970 0.000 -6.116) 6.426 29.783 ( -7.184 0.000 3.853) 8.152 29.906 ( -1.992 0.000 -1.631) 2.575 ======================= Grid point 92 (43/80) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.074 ( 5.666 0.000 7.114) 9.095 1.249 ( 7.366 0.000 12.329) 14.362 1.455 ( -10.689 0.000 3.752) 11.329 1.527 ( -0.773 0.000 -4.486) 4.552 1.692 ( -3.891 0.000 -4.618) 6.038 1.749 ( -9.877 0.000 -10.868) 14.685 1.875 ( -3.227 0.000 -3.296) 4.613 1.904 ( -1.932 0.000 1.778) 2.625 2.110 ( -5.019 0.000 7.303) 8.861 2.111 ( 2.166 0.000 -2.121) 3.031 2.191 ( -0.988 0.000 2.237) 2.445 2.345 ( -1.919 0.000 2.075) 2.827 2.398 ( 1.689 0.000 13.589) 13.694 2.702 ( 0.233 0.000 0.295) 0.376 2.829 ( 15.367 0.000 17.707) 23.445 2.938 ( 6.280 0.000 -3.442) 7.161 2.977 ( 1.679 0.000 -5.387) 5.643 3.032 ( -5.624 0.000 6.010) 8.231 3.126 ( 1.995 0.000 -2.871) 3.496 3.225 ( 8.400 0.000 -4.418) 9.491 3.255 ( -0.517 0.000 1.979) 2.046 3.274 ( -1.906 0.000 -3.537) 4.018 3.305 ( -5.829 0.000 6.580) 8.790 3.376 ( -0.017 0.000 0.568) 0.568 3.415 ( -4.754 0.000 2.721) 5.477 3.498 ( 5.436 0.000 3.130) 6.273 3.669 ( -1.502 0.000 -0.840) 1.721 3.724 ( 0.293 0.000 0.268) 0.397 3.733 ( -0.739 0.000 0.739) 1.045 3.866 ( -0.346 0.000 -2.941) 2.962 3.953 ( -0.370 0.000 -0.766) 0.851 4.017 ( -0.407 0.000 -1.512) 1.566 4.195 ( 1.675 0.000 1.697) 2.385 4.336 ( 1.351 0.000 -6.938) 7.068 4.452 ( 0.237 0.000 -5.363) 5.368 4.620 ( 0.893 0.000 -20.764) 20.783 4.975 ( 5.185 0.000 1.160) 5.314 5.191 ( 0.509 0.000 -5.528) 5.551 5.531 ( -1.612 0.000 8.584) 8.734 5.588 ( 0.222 0.000 2.702) 2.711 6.077 ( -0.436 0.000 6.117) 6.132 6.292 ( 0.549 0.000 -4.169) 4.205 6.444 ( 2.455 0.000 4.904) 5.484 7.137 ( -0.627 0.000 5.350) 5.386 7.147 ( -2.723 0.000 -16.367) 16.592 7.196 ( 7.358 0.000 -2.579) 7.797 7.287 ( -0.761 0.000 6.124) 6.171 7.306 ( 0.200 0.000 4.092) 4.097 7.455 ( -1.148 0.000 1.464) 1.860 7.628 ( 3.290 0.000 -5.973) 6.819 7.907 ( -0.874 0.000 1.750) 1.956 7.920 ( -0.473 0.000 -5.368) 5.389 8.026 ( 0.419 0.000 -2.018) 2.061 8.196 ( 2.256 0.000 -10.158) 10.406 8.613 ( 6.063 0.000 13.273) 14.592 8.891 ( -12.073 0.000 9.539) 15.386 8.957 ( 3.001 0.000 -4.454) 5.371 9.223 ( -0.414 0.000 -10.417) 10.425 9.518 ( -3.336 0.000 3.625) 4.926 9.651 ( -1.843 0.000 -7.190) 7.423 10.591 ( -1.688 0.000 9.571) 9.718 10.969 ( 0.145 0.000 -8.421) 8.423 11.085 ( -2.157 0.000 20.175) 20.290 11.915 ( 1.566 0.000 -17.840) 17.908 12.660 ( 0.129 0.000 5.816) 5.817 12.852 ( -0.138 0.000 -0.147) 0.202 13.078 ( 0.162 0.000 -0.819) 0.835 13.169 ( 0.173 0.000 -1.360) 1.371 13.619 ( 0.189 0.000 8.782) 8.784 14.117 ( -0.950 0.000 -6.915) 6.980 14.188 ( 3.079 0.000 -3.081) 4.356 14.339 ( -1.295 0.000 -8.203) 8.304 14.369 ( 5.780 0.000 4.531) 7.344 14.787 ( 5.384 0.000 -7.376) 9.132 15.489 ( -0.853 0.000 7.060) 7.112 15.671 ( -1.241 0.000 -1.625) 2.045 16.237 ( -3.112 0.000 7.263) 7.902 16.440 ( -2.229 0.000 -0.734) 2.347 16.705 ( -5.523 0.000 9.668) 11.134 17.029 ( 1.279 0.000 -7.440) 7.549 24.642 ( -0.230 0.000 0.457) 0.511 24.680 ( -0.219 0.000 -1.328) 1.346 24.793 ( 0.112 0.000 0.997) 1.003 24.820 ( 0.070 0.000 -0.312) 0.319 26.352 ( -0.185 0.000 1.063) 1.079 26.403 ( -2.982 0.000 -0.031) 2.982 26.422 ( 1.296 0.000 2.063) 2.436 26.543 ( 3.096 0.000 -3.986) 5.047 26.921 ( -0.831 0.000 5.976) 6.033 27.108 ( -0.234 0.000 5.904) 5.909 27.277 ( 0.593 0.000 -6.967) 6.992 27.560 ( 9.352 0.000 -13.984) 16.823 28.916 ( 3.410 0.000 10.535) 11.073 29.225 ( 1.371 0.000 -5.170) 5.348 29.604 ( -9.785 0.000 7.796) 12.511 29.861 ( -1.280 0.000 -3.458) 3.688 ======================= Grid point 93 (44/80) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -3.379 0.000 7.873) 8.568 1.182 ( -11.449 0.000 13.090) 17.390 1.431 ( 3.496 0.000 -2.748) 4.447 1.524 ( 0.204 0.000 1.184) 1.202 1.623 ( -0.006 0.000 -7.672) 7.672 1.646 ( 0.520 0.000 0.236) 0.571 1.841 ( 1.551 0.000 1.485) 2.147 1.895 ( -10.563 0.000 7.410) 12.903 1.899 ( 2.160 0.000 2.651) 3.420 2.093 ( -1.972 0.000 4.404) 4.825 2.226 ( -1.316 0.000 7.499) 7.614 2.382 ( 4.302 0.000 -6.042) 7.417 2.463 ( 1.776 0.000 8.970) 9.144 2.690 ( -1.212 0.000 0.524) 1.320 2.870 ( -3.957 0.000 -0.292) 3.968 3.010 ( 0.730 0.000 -0.541) 0.908 3.054 ( 3.351 0.000 -2.201) 4.009 3.129 ( -0.230 0.000 0.242) 0.333 3.153 ( -4.246 0.000 0.995) 4.361 3.206 ( -3.001 0.000 -8.667) 9.172 3.248 ( 5.727 0.000 4.935) 7.560 3.271 ( 3.180 0.000 14.898) 15.234 3.327 ( -1.506 0.000 -3.461) 3.775 3.376 ( 3.245 0.000 1.618) 3.626 3.421 ( 6.558 0.000 -1.058) 6.643 3.598 ( 3.173 0.000 1.404) 3.469 3.625 ( -2.160 0.000 -0.001) 2.160 3.739 ( 1.741 0.000 1.822) 2.520 3.740 ( 1.206 0.000 -1.732) 2.111 3.827 ( -2.859 0.000 -3.640) 4.629 3.947 ( 0.069 0.000 -1.090) 1.092 4.003 ( -0.230 0.000 -1.589) 1.606 4.199 ( -1.856 0.000 2.583) 3.180 4.237 ( -7.989 0.000 -5.572) 9.740 4.480 ( 2.046 0.000 -6.542) 6.854 4.617 ( 2.514 0.000 -19.650) 19.810 5.067 ( 2.903 0.000 0.488) 2.944 5.168 ( -1.156 0.000 -7.571) 7.659 5.499 ( -2.548 0.000 7.050) 7.496 5.622 ( 1.867 0.000 4.810) 5.160 6.087 ( 0.104 0.000 6.181) 6.182 6.290 ( 0.041 0.000 -5.048) 5.048 6.485 ( -0.045 0.000 7.200) 7.200 6.956 ( -11.801 0.000 -17.922) 21.458 7.143 ( 0.045 0.000 6.677) 6.677 7.269 ( -1.809 0.000 11.166) 11.311 7.290 ( 1.717 0.000 -7.671) 7.861 7.326 ( 1.046 0.000 2.473) 2.686 7.431 ( -1.302 0.000 1.713) 2.151 7.698 ( 3.896 0.000 -8.517) 9.365 7.879 ( -3.169 0.000 3.019) 4.377 7.889 ( -0.899 0.000 0.415) 0.990 8.010 ( -0.672 0.000 -7.620) 7.649 8.203 ( 0.092 0.000 -8.777) 8.778 8.638 ( -7.416 0.000 10.896) 13.180 8.879 ( 10.421 0.000 12.700) 16.428 8.992 ( 0.369 0.000 -5.597) 5.609 9.240 ( 4.136 0.000 -8.581) 9.526 9.466 ( -1.660 0.000 1.723) 2.393 9.658 ( 3.843 0.000 -5.931) 7.067 10.585 ( -0.553 0.000 9.901) 9.917 10.959 ( 0.471 0.000 -8.471) 8.484 11.080 ( -1.825 0.000 20.364) 20.445 11.917 ( 1.824 0.000 -17.802) 17.895 12.670 ( -0.268 0.000 6.025) 6.031 12.843 ( -0.621 0.000 -0.448) 0.766 13.067 ( -0.957 0.000 -0.678) 1.173 13.170 ( 0.134 0.000 -0.935) 0.945 13.619 ( -1.825 0.000 8.797) 8.984 14.095 ( -0.280 0.000 -2.482) 2.498 14.256 ( 3.879 0.000 -2.749) 4.754 14.282 ( -1.517 0.000 -14.077) 14.158 14.486 ( 3.324 0.000 6.073) 6.923 14.790 ( -4.390 0.000 -15.061) 15.687 15.493 ( -0.065 0.000 7.337) 7.338 15.635 ( -1.255 0.000 -0.756) 1.465 16.254 ( 3.670 0.000 10.409) 11.037 16.408 ( -0.307 0.000 -1.327) 1.362 16.626 ( -3.794 0.000 12.073) 12.655 17.046 ( 1.471 0.000 -6.711) 6.870 24.645 ( 0.345 0.000 0.502) 0.610 24.676 ( 0.113 0.000 -1.296) 1.301 24.796 ( 0.023 0.000 0.968) 0.969 24.818 ( -0.228 0.000 -0.347) 0.415 26.334 ( -3.770 0.000 0.407) 3.792 26.348 ( -0.502 0.000 2.523) 2.573 26.438 ( -0.177 0.000 0.963) 0.979 26.568 ( 0.290 0.000 -2.559) 2.576 26.919 ( -0.454 0.000 5.461) 5.480 27.104 ( -1.135 0.000 5.860) 5.969 27.276 ( 0.627 0.000 -7.232) 7.259 27.657 ( 2.075 0.000 -20.353) 20.459 28.999 ( 0.920 0.000 7.370) 7.427 29.224 ( -0.545 0.000 -5.705) 5.731 29.480 ( -1.730 0.000 15.219) 15.317 29.858 ( 1.600 0.000 -2.970) 3.374 ======================= Grid point 94 (45/80) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.006 ( -7.527 0.000 18.076) 19.581 1.016 ( -8.342 0.000 22.928) 24.398 1.478 ( -1.248 0.000 -0.698) 1.430 1.523 ( 7.239 0.000 -1.036) 7.312 1.652 ( 3.599 0.000 -9.652) 10.301 1.726 ( -0.718 0.000 2.451) 2.554 1.761 ( 0.836 0.000 13.178) 13.204 1.936 ( 5.066 0.000 1.012) 5.166 2.005 ( 4.676 0.000 2.950) 5.529 2.089 ( 1.722 0.000 1.175) 2.085 2.173 ( -3.410 0.000 8.528) 9.184 2.468 ( 4.054 0.000 -1.464) 4.311 2.514 ( 1.188 0.000 11.287) 11.350 2.662 ( -1.100 0.000 1.135) 1.580 2.804 ( -2.590 0.000 -1.800) 3.154 2.949 ( -6.098 0.000 -3.078) 6.831 2.982 ( -7.674 0.000 -13.323) 15.375 3.045 ( -4.048 0.000 -3.978) 5.676 3.102 ( -3.734 0.000 0.597) 3.781 3.162 ( 0.283 0.000 -4.308) 4.317 3.225 ( -0.366 0.000 8.184) 8.192 3.288 ( -1.196 0.000 -3.896) 4.076 3.392 ( 2.354 0.000 1.290) 2.684 3.517 ( 2.029 0.000 -1.385) 2.457 3.524 ( 0.172 0.000 0.239) 0.294 3.609 ( 0.579 0.000 -0.230) 0.623 3.667 ( 6.422 0.000 7.005) 9.503 3.740 ( -2.049 0.000 1.283) 2.418 3.775 ( 0.536 0.000 -2.300) 2.362 3.808 ( 3.793 0.000 0.422) 3.817 3.958 ( 1.035 0.000 -0.390) 1.106 4.003 ( 0.210 0.000 -0.698) 0.729 4.035 ( -9.367 0.000 -0.450) 9.377 4.150 ( -2.461 0.000 2.025) 3.187 4.502 ( 1.710 0.000 -9.240) 9.397 4.642 ( 3.069 0.000 -20.588) 20.816 5.041 ( -6.763 0.000 -0.950) 6.829 5.134 ( -0.298 0.000 -9.123) 9.128 5.487 ( 0.811 0.000 7.261) 7.306 5.660 ( 0.455 0.000 5.254) 5.273 6.099 ( -0.044 0.000 5.372) 5.372 6.279 ( -0.027 0.000 -5.495) 5.495 6.463 ( -2.966 0.000 5.797) 6.512 6.638 ( -12.588 0.000 -12.174) 17.512 7.157 ( -0.035 0.000 6.862) 6.862 7.245 ( -1.243 0.000 3.273) 3.501 7.295 ( -0.703 0.000 5.661) 5.704 7.343 ( -0.347 0.000 2.816) 2.838 7.421 ( 0.578 0.000 0.683) 0.894 7.702 ( -2.278 0.000 -8.959) 9.244 7.858 ( 1.303 0.000 5.022) 5.188 7.878 ( -0.073 0.000 -0.071) 0.102 7.985 ( -0.208 0.000 -8.992) 8.995 8.178 ( -0.623 0.000 -8.422) 8.445 8.537 ( -4.151 0.000 11.523) 12.247 8.962 ( -1.294 0.000 -8.615) 8.711 9.112 ( 8.346 0.000 2.892) 8.833 9.308 ( 2.228 0.000 -8.456) 8.744 9.481 ( 2.679 0.000 5.955) 6.530 9.792 ( 9.117 0.000 -4.183) 10.031 10.602 ( 0.188 0.000 10.552) 10.554 10.961 ( 1.287 0.000 -7.692) 7.799 11.085 ( -1.458 0.000 20.360) 20.412 11.922 ( 1.726 0.000 -17.701) 17.785 12.668 ( -1.084 0.000 5.694) 5.796 12.831 ( -0.259 0.000 -0.657) 0.706 13.046 ( -0.783 0.000 -0.182) 0.804 13.171 ( 0.095 0.000 -1.233) 1.237 13.574 ( -4.026 0.000 9.719) 10.520 14.097 ( 0.665 0.000 0.835) 1.067 14.228 ( -0.851 0.000 -16.662) 16.684 14.340 ( 4.429 0.000 -1.538) 4.688 14.519 ( -0.755 0.000 2.839) 2.937 14.550 ( -13.897 0.000 -13.305) 19.240 15.506 ( -0.181 0.000 7.641) 7.643 15.636 ( 1.068 0.000 0.770) 1.317 16.386 ( 4.356 0.000 7.110) 8.338 16.426 ( 1.984 0.000 -0.137) 1.988 16.629 ( 3.873 0.000 12.560) 13.144 17.057 ( 0.609 0.000 -6.242) 6.272 24.655 ( 0.459 0.000 0.457) 0.648 24.680 ( 0.444 0.000 -1.138) 1.221 24.796 ( -0.206 0.000 0.884) 0.908 24.812 ( -0.135 0.000 -0.235) 0.271 26.257 ( -3.098 0.000 2.029) 3.703 26.341 ( -0.551 0.000 2.245) 2.311 26.420 ( -1.406 0.000 0.618) 1.536 26.554 ( -1.202 0.000 -1.923) 2.268 26.923 ( -0.048 0.000 4.842) 4.842 27.089 ( -1.081 0.000 4.960) 5.077 27.276 ( 0.687 0.000 -7.446) 7.477 27.556 ( -7.595 0.000 -17.714) 19.273 28.944 ( -5.516 0.000 6.015) 8.162 29.195 ( -0.747 0.000 -6.864) 6.905 29.628 ( 10.680 0.000 14.348) 17.887 29.901 ( 2.308 0.000 -0.977) 2.506 ======================= Grid point 95 (46/80) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.966 ( -2.184 5.704 19.751) 20.674 1.107 ( 0.411 12.722 17.043) 21.272 1.513 ( 0.226 2.627 -6.660) 7.163 1.692 ( 3.658 0.207 -6.081) 7.100 1.751 ( 0.113 2.841 9.990) 10.386 1.876 ( 0.926 8.070 2.449) 8.484 1.948 ( 7.338 8.490 3.046) 11.628 1.974 ( 0.565 -0.172 -4.637) 4.674 2.080 ( 2.361 7.665 5.042) 9.474 2.141 ( -1.302 0.612 9.188) 9.300 2.204 ( 2.555 4.486 -4.375) 6.768 2.531 ( -3.470 2.267 13.726) 14.338 2.553 ( -1.498 3.652 1.892) 4.378 2.694 ( -2.264 3.366 4.486) 6.048 2.778 ( 3.300 0.598 -3.179) 4.621 2.862 ( -8.368 7.436 -4.313) 11.997 2.934 ( 1.988 3.818 -0.384) 4.322 2.982 ( -1.309 -1.114 -3.948) 4.306 3.068 ( -0.419 3.836 -5.748) 6.923 3.141 ( 0.095 -1.918 -4.131) 4.556 3.200 ( 0.107 -1.633 0.942) 1.888 3.278 ( 0.606 -0.430 6.708) 6.749 3.357 ( -4.353 -0.650 -4.253) 6.121 3.455 ( 0.743 1.399 2.088) 2.621 3.556 ( -3.947 2.019 -0.571) 4.470 3.635 ( 0.063 -0.775 1.829) 1.987 3.702 ( 1.090 0.457 -1.833) 2.181 3.716 ( -3.561 -4.633 -1.174) 5.961 3.810 ( 0.607 0.651 3.111) 3.236 3.875 ( -5.639 7.074 -2.288) 9.332 4.001 ( 4.732 4.188 3.306) 7.132 4.014 ( 1.629 1.216 -2.466) 3.196 4.095 ( 2.836 5.068 1.348) 5.962 4.186 ( 1.517 6.914 0.933) 7.140 4.491 ( -0.985 -0.573 -9.927) 9.992 4.749 ( 1.357 6.816 -13.474) 15.161 4.877 ( -3.491 3.376 -0.636) 4.898 5.126 ( 2.317 -0.463 -8.436) 8.760 5.476 ( -0.332 -3.591 9.411) 10.078 5.702 ( -1.367 1.366 1.144) 2.246 6.164 ( -1.073 5.853 4.562) 7.498 6.268 ( 0.335 -0.334 -2.550) 2.594 6.398 ( -2.308 -0.654 0.824) 2.537 6.550 ( 9.406 -2.896 -5.815) 11.431 7.053 ( -2.038 -8.210 2.230) 8.749 7.158 ( -0.667 -5.169 6.341) 8.208 7.234 ( -1.458 -2.623 5.855) 6.579 7.450 ( -0.288 5.814 2.133) 6.200 7.511 ( 1.793 6.206 0.078) 6.460 7.715 ( -1.569 5.164 -2.913) 6.133 7.844 ( 0.705 -2.195 2.420) 3.343 7.939 ( 0.094 -2.599 -5.464) 6.051 8.000 ( 2.554 6.702 -3.743) 8.090 8.157 ( 0.446 -0.040 -9.832) 9.842 8.491 ( -1.808 -0.578 10.894) 11.058 8.880 ( 0.018 -5.200 -5.470) 7.547 9.144 ( 0.026 -4.557 0.477) 4.582 9.286 ( -0.681 -1.598 -8.138) 8.321 9.536 ( 1.394 -1.705 5.834) 6.236 9.782 ( 0.382 -8.349 -5.381) 9.940 10.574 ( -1.169 -4.414 10.389) 11.348 10.864 ( 0.570 -9.139 0.611) 9.177 11.195 ( -1.077 7.872 9.474) 12.365 11.878 ( 1.414 -3.968 -16.148) 16.688 12.611 ( -0.449 -2.463 5.527) 6.068 12.889 ( 0.387 0.960 -7.353) 7.426 13.120 ( 0.224 9.435 2.569) 9.781 13.260 ( 0.144 6.475 3.679) 7.448 13.466 ( -0.712 -4.384 5.491) 7.062 14.046 ( 2.002 -11.770 -13.455) 17.989 14.125 ( 2.283 -0.642 1.843) 3.003 14.227 ( -7.016 -1.927 -2.431) 7.671 14.457 ( -4.662 0.637 1.875) 5.066 14.571 ( 5.781 4.368 -5.233) 8.938 15.491 ( -0.823 -1.812 7.311) 7.577 15.646 ( 1.030 -1.909 0.312) 2.191 16.386 ( -2.441 -0.364 6.348) 6.811 16.501 ( 1.347 2.718 0.534) 3.081 16.666 ( 3.653 -8.607 11.426) 14.764 17.053 ( -0.393 -0.637 -7.074) 7.114 24.653 ( -0.167 -0.556 0.474) 0.749 24.687 ( 0.344 -0.181 -1.311) 1.368 24.804 ( -0.286 0.816 0.669) 1.094 24.823 ( 0.153 1.120 -0.324) 1.176 26.238 ( 2.340 -2.249 2.694) 4.219 26.338 ( -0.723 -0.408 -1.312) 1.553 26.440 ( 2.423 2.675 1.480) 3.901 26.516 ( -2.424 0.592 0.033) 2.496 26.903 ( -0.008 -1.729 4.874) 5.172 27.151 ( -1.013 -3.688 3.370) 5.098 27.196 ( 0.241 5.321 -6.500) 8.404 27.500 ( -2.299 7.624 -10.103) 12.864 28.872 ( -2.457 0.895 7.522) 7.963 29.164 ( 0.661 -1.540 -6.422) 6.637 29.720 ( 2.928 -6.886 9.805) 12.334 29.913 ( -0.094 -2.559 -1.522) 2.979 ======================= Grid point 96 (47/80) ======================= q-point: ( 0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( 3.155 7.087 15.374) 17.220 1.205 ( 6.292 12.535 13.408) 19.404 1.530 ( 2.478 1.526 -7.618) 8.155 1.703 ( -2.297 3.311 -2.643) 4.819 1.779 ( -0.776 -0.177 0.385) 0.884 1.858 ( -2.648 1.494 2.944) 4.232 1.991 ( -3.983 4.206 -2.076) 6.153 2.008 ( 5.384 2.857 -3.801) 7.183 2.100 ( -0.058 2.127 2.546) 3.319 2.149 ( -3.520 9.419 -5.768) 11.593 2.269 ( 5.757 8.830 10.953) 15.201 2.448 ( -5.865 -0.501 20.071) 20.916 2.481 ( -6.283 2.873 3.276) 7.646 2.616 ( -4.805 4.244 0.417) 6.425 2.748 ( 2.446 5.646 -4.654) 7.715 2.848 ( 0.015 2.151 -0.098) 2.154 2.974 ( 7.571 -0.250 -0.417) 7.587 3.047 ( 3.094 7.359 -5.337) 9.603 3.069 ( 0.091 -5.696 -0.124) 5.698 3.131 ( 0.282 -3.016 -5.221) 6.036 3.240 ( 1.598 -1.696 1.620) 2.839 3.259 ( -0.357 0.048 -1.711) 1.749 3.331 ( 1.358 -0.129 5.108) 5.287 3.478 ( -2.234 -0.685 3.816) 4.475 3.513 ( 0.069 5.380 1.046) 5.481 3.577 ( -6.654 4.564 3.790) 8.915 3.631 ( -1.625 -2.321 0.240) 2.843 3.717 ( -0.083 1.381 -0.208) 1.399 3.779 ( -1.712 2.664 -1.107) 3.355 3.841 ( 2.051 0.375 1.976) 2.873 3.993 ( -1.086 2.320 -2.139) 3.337 4.086 ( 1.181 3.867 -2.602) 4.808 4.194 ( 4.970 2.174 -0.547) 5.452 4.242 ( 4.007 5.713 2.098) 7.287 4.451 ( -0.787 -1.591 -7.801) 8.000 4.751 ( 0.670 9.730 -18.677) 21.070 4.880 ( 3.288 1.615 2.505) 4.438 5.168 ( 2.613 0.098 -6.874) 7.355 5.469 ( -1.625 -3.684 10.067) 10.842 5.672 ( -1.262 1.537 0.278) 2.008 6.151 ( -0.936 6.067 4.610) 7.677 6.277 ( 0.767 -0.221 -2.188) 2.329 6.390 ( 1.306 -0.271 1.081) 1.717 6.829 ( 16.069 -7.059 -12.211) 21.381 7.015 ( -2.009 -9.067 2.047) 9.510 7.162 ( -0.472 -4.803 11.039) 12.048 7.213 ( -1.205 -3.341 2.261) 4.211 7.449 ( -0.091 6.248 1.697) 6.475 7.529 ( -0.187 7.399 -0.903) 7.456 7.700 ( 0.657 5.861 -3.856) 7.046 7.865 ( 0.514 -3.554 4.267) 5.578 7.927 ( -0.076 -1.231 -6.492) 6.608 8.043 ( 1.852 4.906 -2.593) 5.850 8.167 ( 2.463 0.407 -11.273) 11.546 8.496 ( 0.551 -1.302 12.053) 12.136 8.871 ( -0.394 -5.525 -2.815) 6.214 9.079 ( -5.989 -2.699 1.720) 6.790 9.250 ( -1.130 -1.286 -8.761) 8.927 9.538 ( -1.972 -2.552 4.500) 5.537 9.719 ( -3.913 -4.012 -6.341) 8.462 10.566 ( -1.353 -4.192 9.888) 10.824 10.867 ( -0.476 -8.785 0.992) 8.854 11.189 ( -1.108 7.321 9.475) 12.025 11.876 ( 1.284 -3.826 -16.237) 16.731 12.621 ( 0.246 -1.924 5.799) 6.115 12.890 ( 0.922 0.593 -6.294) 6.388 13.113 ( -0.936 7.973 2.868) 8.525 13.263 ( -0.547 6.177 3.944) 7.349 13.501 ( 2.309 -5.062 3.072) 6.355 14.018 ( -1.277 -9.529 -10.287) 14.080 14.165 ( 2.184 -2.681 -0.126) 3.461 14.255 ( 6.595 0.937 -1.688) 6.871 14.362 ( -4.041 -0.925 -0.145) 4.148 14.688 ( 5.941 2.795 -4.009) 7.693 15.480 ( -1.422 -1.862 7.015) 7.396 15.657 ( -0.034 -2.482 -0.472) 2.527 16.326 ( -4.082 0.960 6.194) 7.480 16.506 ( -1.115 2.476 0.294) 2.732 16.705 ( -1.736 -7.435 10.091) 12.654 17.027 ( -0.366 -0.776 -7.562) 7.611 24.645 ( -0.519 -0.446 0.426) 0.806 24.686 ( -0.216 -0.225 -1.318) 1.354 24.799 ( -0.232 0.740 0.855) 1.154 24.827 ( 0.233 0.959 -0.335) 1.042 26.279 ( 1.274 -4.109 0.041) 4.303 26.350 ( 0.294 -2.972 0.449) 3.020 26.477 ( -0.736 1.276 2.006) 2.489 26.516 ( 4.105 4.067 -1.739) 6.034 26.904 ( -0.856 -1.568 5.539) 5.820 27.165 ( 1.934 -5.973 -0.123) 6.279 27.197 ( 0.561 7.422 -3.088) 8.059 27.503 ( 4.167 7.227 -9.170) 12.396 28.866 ( 0.411 1.095 8.593) 8.672 29.180 ( 1.804 -1.688 -5.671) 6.186 29.713 ( -4.831 -5.221 7.297) 10.190 29.880 ( -2.149 -2.637 -2.047) 3.970 ======================= Grid point 97 (48/80) ======================= q-point: ( 0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.124 ( 4.277 5.503 8.416) 10.927 1.390 ( 7.170 11.749 8.869) 16.374 1.536 ( -4.336 6.401 0.068) 7.732 1.592 ( -3.549 4.469 -2.136) 6.094 1.717 ( -3.513 4.954 -3.082) 6.810 1.809 ( -2.548 -0.377 3.879) 4.656 1.838 ( -7.164 5.384 -6.539) 11.094 2.034 ( -3.909 7.073 0.455) 8.094 2.132 ( 0.510 2.988 3.300) 4.482 2.138 ( 2.620 2.482 -1.028) 3.753 2.247 ( -8.262 6.206 0.839) 10.367 2.347 ( -3.105 0.567 3.550) 4.750 2.423 ( 0.663 1.009 10.371) 10.441 2.623 ( 3.334 -1.730 4.921) 6.190 2.852 ( 5.249 -2.270 -6.341) 8.539 2.914 ( 6.603 2.762 4.205) 8.302 2.999 ( -4.360 -1.791 -2.535) 5.352 3.095 ( 0.983 -1.725 -2.442) 3.147 3.104 ( 3.556 2.685 2.115) 4.933 3.215 ( 8.369 -1.453 -1.380) 8.605 3.242 ( 1.263 -2.992 -2.309) 3.985 3.291 ( -1.924 3.135 3.836) 5.314 3.331 ( -5.507 1.703 7.106) 9.150 3.365 ( 0.578 2.728 5.099) 5.811 3.530 ( 0.181 7.957 0.679) 7.988 3.566 ( 2.123 2.385 1.300) 3.447 3.613 ( 0.586 1.260 -0.904) 1.657 3.692 ( -1.928 -0.062 -0.291) 1.950 3.774 ( 0.375 3.319 1.194) 3.547 3.891 ( 2.096 2.459 0.502) 3.270 3.967 ( -1.057 -0.415 -1.905) 2.218 4.068 ( -1.891 4.544 -3.827) 6.234 4.243 ( 0.304 3.848 0.767) 3.936 4.308 ( -0.108 -1.903 -4.552) 4.935 4.445 ( 1.921 0.852 -4.515) 4.980 4.729 ( 1.151 10.456 -17.731) 20.617 4.963 ( 3.358 -0.502 1.907) 3.894 5.190 ( 0.628 -0.300 -6.390) 6.428 5.455 ( -1.656 -3.922 10.356) 11.197 5.664 ( 0.529 2.252 -0.059) 2.314 6.146 ( -0.258 6.208 4.750) 7.821 6.284 ( 0.311 -0.275 -2.353) 2.389 6.439 ( 2.322 -0.301 3.468) 4.184 6.951 ( -3.088 -11.058 -5.630) 12.787 7.081 ( 6.976 -9.019 -8.759) 14.378 7.180 ( -0.046 -4.363 8.446) 9.506 7.203 ( 0.916 -1.437 4.722) 5.020 7.453 ( 0.129 5.430 1.434) 5.618 7.498 ( -2.369 8.140 -1.242) 8.568 7.725 ( 2.405 4.907 -3.799) 6.656 7.871 ( -0.909 -3.202 4.180) 5.343 7.913 ( 0.119 -0.402 -7.538) 7.549 8.058 ( -0.048 3.332 -3.614) 4.916 8.202 ( 2.200 0.468 -10.458) 10.697 8.571 ( 4.338 -3.315 13.168) 14.255 8.801 ( -7.546 -6.884 8.860) 13.522 8.996 ( 0.224 1.733 -3.242) 3.683 9.215 ( -0.180 -0.925 -9.790) 9.835 9.489 ( -2.836 -2.320 1.901) 4.128 9.648 ( -1.195 -0.970 -7.724) 7.876 10.559 ( -0.970 -2.943 9.534) 10.025 10.853 ( -0.863 -8.394 1.380) 8.551 11.186 ( -0.846 7.185 9.158) 11.671 11.873 ( 1.394 -3.806 -16.330) 16.825 12.634 ( -0.197 -2.020 6.125) 6.452 12.898 ( 0.778 1.485 -5.489) 5.740 13.103 ( -0.620 5.628 3.481) 6.647 13.254 ( -0.953 5.431 3.944) 6.779 13.541 ( 0.853 -5.315 2.222) 5.824 13.991 ( 0.406 -10.128 -9.736) 14.055 14.186 ( -1.402 -1.713 1.062) 2.455 14.317 ( 2.083 -3.623 -8.148) 9.157 14.407 ( 6.361 4.187 3.641) 8.441 14.778 ( 2.889 -0.520 -6.350) 6.996 15.465 ( -1.095 -2.241 6.857) 7.297 15.640 ( -1.369 -2.978 -1.367) 3.551 16.263 ( -2.568 2.396 7.596) 8.368 16.466 ( -2.092 2.600 -1.038) 3.494 16.658 ( -4.031 -4.042 11.745) 13.059 17.022 ( 1.204 -0.925 -7.343) 7.498 24.638 ( -0.183 -0.321 0.424) 0.562 24.677 ( -0.315 -0.378 -1.356) 1.442 24.800 ( 0.078 0.660 0.984) 1.187 24.829 ( 0.051 0.783 -0.418) 0.889 26.300 ( -0.038 -3.865 0.754) 3.938 26.336 ( -0.407 -4.156 -0.818) 4.255 26.468 ( -0.936 2.490 3.619) 4.491 26.584 ( 2.194 2.540 -1.507) 3.679 26.896 ( -0.829 -1.510 6.305) 6.536 27.198 ( 0.111 1.517 3.192) 3.536 27.204 ( 1.406 0.038 -7.620) 7.749 27.609 ( 6.782 3.888 -13.679) 15.755 28.916 ( 2.501 0.118 9.570) 9.892 29.206 ( 1.265 -1.950 -4.937) 5.457 29.585 ( -7.732 -1.349 8.745) 11.751 29.839 ( -0.940 -2.078 -3.042) 3.802 ======================= Grid point 98 (49/80) ======================= q-point: (-0.40 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.188 ( -1.593 5.907 9.199) 11.047 1.293 ( -11.529 8.276 10.512) 17.661 1.525 ( 2.109 7.841 -4.444) 9.256 1.604 ( -0.576 7.375 -0.483) 7.414 1.650 ( -1.313 4.775 -2.561) 5.575 1.751 ( 1.599 6.913 -2.132) 7.409 1.818 ( 3.472 2.661 5.763) 7.235 1.973 ( -7.183 6.454 12.268) 15.613 2.017 ( -1.379 8.120 -3.731) 9.041 2.129 ( -2.135 4.237 3.736) 6.039 2.194 ( -1.458 -2.307 7.165) 7.667 2.392 ( 5.261 0.810 -3.109) 6.165 2.452 ( 1.397 -1.243 4.335) 4.721 2.691 ( 1.491 1.363 3.360) 3.920 2.865 ( -3.463 -1.361 -4.156) 5.579 2.960 ( 1.992 -3.036 1.639) 3.984 3.009 ( 1.895 -1.340 -6.678) 7.069 3.103 ( -0.655 -2.034 -1.378) 2.543 3.132 ( -0.657 -0.709 1.507) 1.791 3.225 ( -3.124 -1.286 -3.653) 4.976 3.275 ( -2.401 0.589 -0.781) 2.592 3.288 ( -1.062 1.552 9.329) 9.517 3.382 ( 7.023 -1.991 0.739) 7.337 3.435 ( 7.122 7.457 7.785) 12.920 3.515 ( -0.846 9.393 -2.373) 9.725 3.619 ( 2.187 0.101 0.521) 2.250 3.641 ( -0.540 3.017 0.725) 3.150 3.677 ( 3.499 1.313 -0.809) 3.824 3.789 ( 0.601 4.083 -0.475) 4.154 3.894 ( -2.290 3.690 -2.018) 4.789 3.958 ( 0.850 1.156 -1.292) 1.930 4.026 ( -0.653 2.134 -1.596) 2.744 4.207 ( -5.063 0.921 -1.496) 5.360 4.230 ( -4.212 0.128 -1.344) 4.423 4.485 ( 2.002 1.949 -5.453) 6.127 4.740 ( 2.690 10.983 -16.834) 20.280 5.009 ( 0.729 -3.408 1.832) 3.937 5.175 ( -0.907 -0.341 -7.263) 7.327 5.436 ( -1.689 -3.969 9.614) 10.537 5.688 ( 1.441 2.501 0.990) 3.052 6.156 ( 0.241 6.178 4.889) 7.882 6.281 ( -0.129 -0.476 -3.062) 3.102 6.472 ( -0.232 -0.877 5.192) 5.270 6.818 ( -8.910 -10.036 -10.223) 16.871 7.121 ( -0.144 -6.291 -2.460) 6.757 7.176 ( -0.982 -4.881 4.493) 6.707 7.253 ( 0.695 -1.737 3.610) 4.066 7.453 ( -0.621 4.861 2.360) 5.439 7.458 ( -0.469 7.041 0.618) 7.084 7.778 ( 2.917 2.354 -1.580) 4.068 7.838 ( -2.446 0.408 -1.311) 2.805 7.908 ( 0.489 -0.801 -4.107) 4.213 8.027 ( -1.842 2.899 -5.299) 6.315 8.205 ( -0.042 0.123 -9.089) 9.090 8.601 ( -5.510 -3.308 10.852) 12.612 8.778 ( 5.720 -7.383 12.228) 15.386 9.025 ( 2.050 1.355 -4.336) 4.984 9.233 ( 3.904 -1.002 -8.932) 9.799 9.448 ( -0.998 -1.451 1.335) 2.210 9.647 ( 2.433 -1.395 -7.351) 7.868 10.562 ( -0.479 -2.363 9.744) 10.038 10.842 ( -0.332 -8.391 1.395) 8.513 11.188 ( -0.588 7.532 9.131) 11.851 11.874 ( 1.591 -3.938 -16.312) 16.856 12.634 ( -0.935 -2.606 6.032) 6.637 12.901 ( 0.519 2.549 -5.760) 6.320 13.097 ( -0.620 5.267 4.000) 6.643 13.245 ( -0.517 5.178 4.111) 6.632 13.544 ( -1.012 -5.159 2.531) 5.835 13.994 ( 1.546 -11.044 -9.954) 14.948 14.137 ( -2.553 -2.775 0.712) 3.838 14.378 ( 4.524 -0.283 -9.297) 10.343 14.509 ( 2.086 3.221 4.876) 6.205 14.741 ( -5.675 -3.319 -11.196) 12.983 15.467 ( 0.047 -2.400 7.245) 7.632 15.611 ( -0.717 -2.333 -0.474) 2.487 16.273 ( 2.336 1.856 10.083) 10.515 16.436 ( -0.287 2.787 -1.344) 3.107 16.600 ( -3.542 -2.244 12.825) 13.493 17.041 ( 1.698 -0.837 -6.720) 6.981 24.640 ( 0.304 -0.345 0.478) 0.663 24.671 ( 0.130 -0.458 -1.282) 1.367 24.804 ( 0.123 0.723 0.914) 1.172 24.827 ( -0.160 0.814 -0.464) 0.950 26.265 ( -2.558 -3.819 0.996) 4.703 26.357 ( 1.708 -2.447 -0.197) 2.991 26.441 ( -2.323 1.901 2.979) 4.229 26.598 ( -0.547 1.845 -0.161) 1.931 26.893 ( -0.574 -1.533 6.090) 6.306 27.191 ( -1.086 5.014 3.769) 6.366 27.215 ( 0.896 -3.156 -8.620) 9.224 27.678 ( 1.808 1.853 -18.081) 18.265 28.974 ( 0.255 -1.790 7.727) 7.935 29.204 ( -0.515 -1.968 -5.438) 5.806 29.490 ( -1.794 1.095 13.940) 14.097 29.842 ( 1.752 -1.668 -2.798) 3.698 ======================= Grid point 99 (50/80) ======================= q-point: (-0.20 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -10.066 4.286 19.336) 22.217 1.132 ( -5.610 11.490 14.633) 19.433 1.541 ( -2.091 5.676 -5.710) 8.318 1.604 ( 5.486 3.659 -9.013) 11.168 1.719 ( 7.485 10.080 3.129) 12.940 1.786 ( -1.613 4.300 2.311) 5.142 1.858 ( 0.703 8.243 6.845) 10.737 1.954 ( 3.250 2.475 4.504) 6.080 2.041 ( 1.199 3.529 3.779) 5.308 2.142 ( 2.760 5.007 0.656) 5.755 2.156 ( -2.083 -0.831 8.072) 8.377 2.492 ( 4.077 2.081 2.475) 5.204 2.520 ( 3.545 0.701 3.632) 5.124 2.696 ( -0.487 3.942 7.521) 8.506 2.791 ( -3.135 -1.360 -3.945) 5.220 2.942 ( -2.025 1.164 -5.530) 6.003 3.038 ( -0.569 -1.471 -3.107) 3.485 3.041 ( -5.373 0.551 -1.203) 5.534 3.110 ( -3.049 2.762 -3.006) 5.095 3.150 ( -1.185 0.528 -5.508) 5.659 3.212 ( -1.375 -0.759 -1.170) 1.959 3.265 ( -1.260 0.003 8.183) 8.280 3.438 ( -1.355 -0.258 -3.562) 3.820 3.476 ( -2.131 4.591 -0.482) 5.085 3.580 ( 2.393 -0.833 1.011) 2.728 3.649 ( 0.440 3.216 -0.309) 3.260 3.678 ( 1.698 -2.241 0.054) 2.812 3.758 ( 2.180 0.456 -1.687) 2.794 3.789 ( 0.859 3.495 2.013) 4.123 3.844 ( 1.011 4.453 2.052) 5.006 3.987 ( 1.665 3.964 -1.835) 4.675 4.039 ( -1.995 2.588 -2.980) 4.423 4.053 ( -3.560 2.663 1.830) 4.807 4.180 ( -1.249 3.781 2.068) 4.487 4.504 ( 1.128 1.727 -8.296) 8.548 4.757 ( 1.562 9.496 -17.215) 19.722 4.985 ( -4.331 -2.764 1.246) 5.286 5.126 ( -1.346 -1.141 -8.462) 8.644 5.444 ( 0.998 -3.402 8.730) 9.422 5.712 ( 0.295 1.901 1.737) 2.592 6.169 ( -0.063 6.014 4.567) 7.552 6.272 ( -0.083 -0.448 -3.190) 3.222 6.450 ( -2.191 -0.682 3.339) 4.052 6.575 ( -9.896 -5.198 -8.966) 14.329 7.093 ( -2.108 -6.747 1.162) 7.164 7.163 ( -0.775 -4.984 3.990) 6.431 7.250 ( -1.220 -1.747 6.746) 7.074 7.453 ( -0.400 5.066 1.997) 5.460 7.470 ( 1.666 5.887 1.341) 6.264 7.771 ( -3.252 2.196 -0.770) 3.999 7.825 ( 1.441 0.857 -1.872) 2.513 7.925 ( 1.661 -0.777 -1.830) 2.591 7.986 ( -0.522 3.975 -7.195) 8.237 8.178 ( -0.661 -0.155 -8.624) 8.650 8.525 ( -3.453 -1.047 10.776) 11.364 8.879 ( 1.539 -7.948 -0.399) 8.106 9.087 ( 4.416 -1.631 0.096) 4.709 9.293 ( 1.980 -1.775 -8.207) 8.627 9.473 ( 2.859 -0.803 4.321) 5.243 9.719 ( 5.166 -5.404 -5.344) 9.190 10.572 ( -0.471 -3.237 10.153) 10.667 10.848 ( 0.619 -8.637 1.006) 8.718 11.194 ( -0.540 7.964 9.294) 12.252 11.877 ( 1.577 -4.042 -16.213) 16.783 12.620 ( -1.270 -3.017 5.663) 6.541 12.897 ( 0.247 2.243 -7.030) 7.384 13.100 ( 0.430 7.266 4.127) 8.367 13.249 ( 0.095 5.668 4.219) 7.067 13.507 ( -2.946 -4.593 3.540) 6.505 14.016 ( 2.417 -12.113 -10.989) 16.533 14.103 ( -0.531 -1.862 0.562) 2.016 14.444 ( -2.547 -5.779 -6.946) 9.388 14.480 ( -2.492 6.218 -5.631) 8.751 14.554 ( -5.765 0.960 -1.143) 5.955 15.485 ( 0.087 -2.089 7.452) 7.739 15.619 ( 1.214 -1.795 0.618) 2.253 16.371 ( 3.436 -0.894 8.167) 8.905 16.456 ( 2.371 2.490 -0.314) 3.453 16.579 ( 0.086 -3.269 14.318) 14.687 17.059 ( 1.004 -0.611 -6.504) 6.610 24.649 ( 0.358 -0.467 0.511) 0.780 24.678 ( 0.636 -0.334 -1.230) 1.424 24.806 ( -0.055 0.843 0.746) 1.127 24.823 ( -0.103 0.995 -0.399) 1.077 26.221 ( -1.353 -2.348 1.892) 3.305 26.384 ( -2.512 2.775 2.505) 4.504 26.397 ( 1.283 -2.047 -0.628) 2.496 26.568 ( -2.260 1.067 0.302) 2.518 26.895 ( -0.264 -1.634 5.510) 5.754 27.172 ( -1.369 2.153 4.082) 4.814 27.209 ( 0.155 -0.561 -8.989) 9.008 27.610 ( -4.428 4.074 -16.428) 17.495 28.934 ( -4.243 -0.650 6.419) 7.722 29.177 ( -0.648 -1.696 -6.289) 6.546 29.582 ( 6.507 -2.788 14.933) 16.526 29.887 ( 2.427 -1.891 -1.637) 3.485 ======================= Grid point 100 (51/80) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.588 9.435 13.254) 16.280 1.396 ( 1.190 14.267 10.126) 17.536 1.593 ( -0.437 5.094 -6.248) 8.073 1.741 ( 1.505 4.406 -4.133) 6.226 1.804 ( -1.764 2.676 7.322) 7.993 1.978 ( 2.708 0.839 -2.441) 3.741 2.004 ( -0.881 4.714 0.284) 4.804 2.091 ( 1.367 6.228 -3.500) 7.274 2.139 ( -0.716 0.463 3.409) 3.514 2.302 ( 2.810 5.944 -2.972) 7.215 2.322 ( 5.522 10.616 8.927) 14.929 2.595 ( -0.020 3.422 10.627) 11.164 2.621 ( -1.270 3.126 -1.477) 3.683 2.787 ( 0.174 2.523 4.874) 5.491 2.797 ( 1.284 2.644 -0.147) 2.943 2.928 ( -3.068 0.465 0.114) 3.105 2.969 ( 0.291 -0.067 -3.872) 3.883 3.039 ( -2.808 3.039 0.867) 4.228 3.082 ( -3.400 -1.591 -6.209) 7.255 3.149 ( -1.232 2.529 -2.144) 3.537 3.240 ( 0.320 6.188 2.505) 6.684 3.315 ( 2.104 5.552 5.745) 8.262 3.346 ( -3.581 -1.463 -0.227) 3.875 3.516 ( -3.018 3.739 0.773) 4.867 3.544 ( 0.616 -1.192 -1.456) 1.980 3.593 ( -2.425 -5.273 -1.196) 5.926 3.678 ( -1.733 3.126 2.639) 4.443 3.729 ( 1.770 1.526 -3.557) 4.255 3.805 ( -0.108 -0.259 4.710) 4.718 3.979 ( -1.603 1.716 -1.658) 2.875 4.052 ( 0.885 2.462 -1.765) 3.156 4.119 ( 0.475 5.865 -5.041) 7.749 4.209 ( 1.994 8.301 -0.300) 8.543 4.370 ( 0.168 8.394 -1.865) 8.600 4.564 ( -1.510 10.442 0.434) 10.560 4.849 ( 0.579 3.955 2.355) 4.639 5.036 ( 0.737 9.372 -11.740) 15.040 5.126 ( 2.907 1.160 -8.061) 8.647 5.401 ( 0.005 -3.168 7.337) 7.992 5.634 ( -1.509 -7.717 -0.449) 7.876 6.281 ( -0.085 1.548 2.173) 2.670 6.299 ( -0.429 7.235 2.004) 7.520 6.389 ( -1.781 0.012 -1.303) 2.207 6.495 ( 6.615 -2.402 -5.789) 9.113 6.892 ( -2.715 -7.596 0.524) 8.084 7.024 ( 0.111 -7.644 -2.362) 8.001 7.235 ( -2.846 2.351 15.496) 15.930 7.521 ( 0.398 1.195 0.736) 1.458 7.593 ( 2.590 0.013 0.499) 2.638 7.778 ( -0.400 -4.089 4.344) 5.979 7.832 ( -1.300 6.888 -0.556) 7.032 7.903 ( 0.438 0.052 -4.177) 4.200 8.126 ( 0.978 1.647 -7.220) 7.470 8.163 ( 2.154 3.496 -8.839) 9.746 8.494 ( -1.572 1.296 8.165) 8.415 8.727 ( -0.186 -8.922 4.390) 9.945 9.065 ( -0.393 -3.246 -1.480) 3.589 9.241 ( -0.240 -2.951 -6.932) 7.537 9.486 ( 0.994 -3.400 0.558) 3.586 9.637 ( 0.879 -6.176 -7.511) 9.764 10.474 ( -1.347 -4.868 9.546) 10.800 10.669 ( 0.159 -9.778 3.651) 10.439 11.361 ( -0.534 8.516 2.527) 8.899 11.792 ( 1.270 -4.141 -13.081) 13.780 12.566 ( -0.203 -1.933 6.696) 6.973 12.850 ( -0.525 -4.702 -3.877) 6.117 13.257 ( -0.369 -2.404 9.707) 10.007 13.344 ( 0.445 8.301 0.574) 8.333 13.517 ( 0.464 8.438 -6.785) 10.837 13.805 ( 2.542 -10.854 -11.829) 16.254 14.102 ( 1.830 -1.773 1.452) 2.933 14.174 ( -4.320 -3.416 -1.844) 5.808 14.490 ( -4.578 2.705 2.356) 5.815 14.643 ( 4.616 2.830 -6.177) 8.214 15.442 ( -0.673 -2.900 6.676) 7.310 15.585 ( 0.572 -4.161 0.198) 4.205 16.387 ( -1.448 0.483 7.810) 7.957 16.520 ( 1.577 -3.514 10.568) 11.248 16.585 ( 0.349 3.504 4.340) 5.589 17.010 ( -0.379 -3.599 -6.692) 7.608 24.644 ( -0.116 -0.208 0.479) 0.535 24.677 ( 0.398 -0.719 -1.049) 1.333 24.823 ( -0.313 1.048 0.416) 1.171 24.846 ( 0.141 0.935 -0.687) 1.169 26.202 ( 0.879 -1.246 2.440) 2.877 26.310 ( -1.350 -2.408 -2.591) 3.786 26.477 ( 2.074 1.536 3.719) 4.527 26.539 ( -1.141 1.101 2.030) 2.576 26.882 ( -0.135 -0.350 5.103) 5.117 27.046 ( -1.078 -4.645 2.923) 5.593 27.363 ( 1.172 8.704 -9.073) 12.628 27.625 ( -0.532 4.551 -13.615) 14.365 28.901 ( -1.518 2.015 6.072) 6.575 29.123 ( 0.472 -2.518 -4.637) 5.298 29.627 ( 1.315 -2.131 10.882) 11.167 29.837 ( -0.387 -4.558 -0.948) 4.671 ======================= Grid point 101 (52/80) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 3.600 10.599 11.131) 15.786 1.476 ( 4.871 13.116 7.255) 15.760 1.595 ( 2.412 4.338 -3.672) 6.174 1.761 ( -0.407 2.773 -3.954) 4.847 1.802 ( -0.751 2.846 4.454) 5.339 1.922 ( -3.214 2.933 3.296) 5.459 2.078 ( -1.227 2.903 -1.065) 3.326 2.091 ( 4.382 4.853 -5.941) 8.835 2.122 ( -0.058 2.981 1.933) 3.553 2.311 ( -2.052 5.676 -0.506) 6.057 2.400 ( -1.766 3.413 10.806) 11.469 2.539 ( -5.485 4.182 2.334) 7.282 2.571 ( -2.328 10.039 4.084) 11.085 2.724 ( -7.801 5.057 -0.319) 9.302 2.820 ( 2.884 1.001 -6.611) 7.282 2.902 ( -0.336 2.830 3.692) 4.664 2.964 ( -1.054 -3.520 -1.991) 4.180 3.002 ( 3.739 1.280 1.901) 4.386 3.045 ( -0.590 -4.310 -3.121) 5.353 3.137 ( 0.995 1.434 -1.509) 2.307 3.252 ( -1.939 0.611 1.050) 2.289 3.261 ( -1.548 3.500 2.093) 4.362 3.396 ( 3.019 4.504 3.407) 6.403 3.454 ( -2.803 -0.764 1.065) 3.094 3.530 ( -1.634 -2.479 0.113) 2.971 3.597 ( 2.835 3.283 1.315) 4.533 3.695 ( 2.225 2.570 -1.163) 3.593 3.780 ( 2.886 3.564 4.605) 6.499 3.829 ( 0.404 0.604 1.659) 1.811 3.908 ( -2.010 5.040 -2.580) 6.008 4.052 ( -2.801 5.257 -4.446) 7.433 4.129 ( 3.148 1.263 -2.157) 4.020 4.260 ( 2.472 4.361 1.578) 5.255 4.362 ( -0.238 4.621 -5.130) 6.908 4.550 ( -0.419 13.526 4.588) 14.289 4.913 ( 3.616 2.996 2.186) 5.179 5.010 ( -0.226 13.216 -15.045) 20.026 5.173 ( 2.276 0.473 -6.899) 7.280 5.400 ( -1.431 -3.315 8.907) 9.611 5.610 ( -0.231 -7.049 -1.719) 7.259 6.290 ( 0.166 4.424 0.341) 4.441 6.296 ( 0.133 4.998 2.877) 5.768 6.388 ( 1.519 0.060 -0.431) 1.580 6.672 ( 9.825 -7.767 -9.875) 15.950 6.845 ( -1.462 -7.545 2.052) 7.955 7.031 ( 0.800 -7.771 -0.775) 7.851 7.212 ( -1.964 2.844 15.839) 16.211 7.529 ( 0.144 1.434 0.592) 1.558 7.644 ( 2.162 0.898 -3.349) 4.086 7.762 ( -2.333 -4.212 6.901) 8.415 7.823 ( 0.383 6.571 1.486) 6.748 7.907 ( 1.018 -0.364 -7.020) 7.103 8.128 ( 0.764 0.636 -7.894) 7.956 8.199 ( 2.478 4.114 -9.145) 10.329 8.487 ( -0.292 1.031 9.576) 9.636 8.713 ( -2.263 -9.098 5.936) 11.097 9.031 ( -2.015 -2.176 -2.156) 3.666 9.213 ( -0.976 -2.508 -7.439) 7.910 9.478 ( -1.504 -3.399 -0.129) 3.720 9.623 ( -0.546 -5.247 -8.007) 9.589 10.474 ( -0.299 -4.359 9.209) 10.193 10.679 ( -0.019 -9.459 3.887) 10.226 11.349 ( -0.885 8.537 2.790) 9.024 11.791 ( 1.056 -4.092 -13.100) 13.765 12.581 ( 0.183 -1.984 7.208) 7.479 12.843 ( 0.560 -5.027 -3.549) 6.179 13.262 ( -0.888 -2.562 9.354) 9.740 13.330 ( -1.469 9.451 1.498) 9.681 13.535 ( 2.023 7.193 -7.994) 10.942 13.809 ( -0.142 -9.698 -11.943) 15.385 14.097 ( 0.862 -3.791 0.385) 3.907 14.193 ( 1.852 -5.033 -1.217) 5.500 14.431 ( -0.100 5.702 2.095) 6.075 14.730 ( 4.182 1.318 -4.797) 6.499 15.430 ( -1.528 -2.921 6.478) 7.269 15.585 ( -0.585 -4.619 -0.359) 4.670 16.354 ( -2.681 1.836 7.599) 8.264 16.554 ( -0.337 -1.564 4.643) 4.911 16.591 ( -0.854 0.508 9.090) 9.144 16.987 ( -0.218 -3.204 -7.050) 7.747 24.640 ( -0.360 -0.066 0.347) 0.505 24.677 ( -0.233 -0.613 -1.145) 1.319 24.817 ( -0.253 1.016 0.581) 1.197 24.846 ( 0.005 0.781 -0.571) 0.967 26.216 ( 0.426 -2.229 1.064) 2.506 26.286 ( -1.087 -3.197 -0.900) 3.495 26.502 ( 0.333 1.306 3.882) 4.109 26.570 ( 2.642 1.412 1.538) 3.367 26.884 ( -0.637 -0.378 5.301) 5.353 27.048 ( 0.847 -4.972 1.923) 5.398 27.371 ( 1.034 8.763 -8.725) 12.409 27.625 ( 2.862 4.602 -12.771) 13.873 28.899 ( 0.220 2.216 6.720) 7.079 29.134 ( 1.335 -2.774 -4.221) 5.224 29.634 ( -2.458 -2.148 8.982) 9.557 29.811 ( -1.541 -3.986 -1.140) 4.423 ======================= Grid point 102 (53/80) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( 2.085 9.129 9.278) 13.182 1.590 ( -4.103 3.691 5.922) 8.095 1.666 ( 2.869 5.213 -1.983) 6.272 1.674 ( 3.963 7.144 3.421) 8.857 1.781 ( -2.249 4.847 2.416) 5.864 1.901 ( -5.229 4.437 -4.954) 8.460 1.971 ( -0.229 6.162 2.811) 6.777 2.140 ( -1.720 6.842 5.903) 9.199 2.197 ( 0.930 2.737 -1.451) 3.235 2.244 ( -1.587 6.459 5.002) 8.322 2.318 ( -3.952 1.021 1.467) 4.337 2.451 ( -2.120 3.940 3.259) 5.535 2.477 ( -9.108 11.196 -0.616) 14.446 2.650 ( 3.380 2.402 2.330) 4.757 2.860 ( 2.595 2.248 -5.545) 6.522 2.910 ( -1.922 -2.895 -1.214) 3.681 2.962 ( 3.117 -1.347 -4.027) 5.268 3.025 ( -0.263 -3.783 -0.381) 3.812 3.107 ( 2.852 -2.596 0.803) 3.939 3.166 ( -1.290 -3.774 -3.410) 5.247 3.202 ( 3.390 0.467 1.147) 3.609 3.316 ( 4.037 2.279 2.319) 5.184 3.363 ( -4.513 0.316 0.956) 4.624 3.467 ( 2.993 2.133 4.566) 5.862 3.536 ( 0.937 1.890 1.375) 2.519 3.646 ( 1.033 1.886 0.321) 2.174 3.732 ( -0.000 6.474 1.978) 6.770 3.759 ( -0.400 2.161 -2.083) 3.028 3.915 ( 3.540 5.460 4.073) 7.677 3.922 ( 3.494 5.498 -0.935) 6.581 3.988 ( -2.427 3.674 -2.600) 5.113 4.148 ( -1.342 3.099 -3.449) 4.827 4.296 ( -0.016 2.659 -0.018) 2.659 4.339 ( -1.032 5.580 -3.802) 6.831 4.560 ( 0.609 11.431 4.709) 12.378 4.961 ( 0.692 1.477 1.694) 2.352 4.995 ( 1.140 13.209 -12.538) 18.248 5.186 ( 0.358 0.173 -6.662) 6.673 5.380 ( -2.094 -3.865 9.537) 10.502 5.624 ( 1.671 -5.546 -2.617) 6.356 6.291 ( -0.043 7.774 1.676) 7.953 6.303 ( -0.113 2.179 1.337) 2.559 6.434 ( 2.181 -0.357 1.124) 2.480 6.730 ( -1.994 -10.371 -8.261) 13.408 6.906 ( 5.427 -7.992 -1.169) 9.731 7.044 ( 0.302 -7.841 -0.622) 7.872 7.224 ( 0.304 3.079 15.801) 16.101 7.525 ( -0.629 1.154 0.912) 1.600 7.646 ( -2.038 2.786 -1.583) 3.797 7.733 ( -0.301 -3.139 2.494) 4.021 7.843 ( 0.838 3.355 3.127) 4.662 7.917 ( 1.258 0.308 -9.470) 9.558 8.125 ( 0.050 1.449 -6.893) 7.044 8.221 ( 1.055 1.847 -9.745) 9.974 8.524 ( 1.743 -0.608 10.955) 11.109 8.652 ( -4.454 -7.292 10.107) 13.234 9.005 ( 0.564 -0.736 -4.433) 4.529 9.183 ( -0.160 -2.374 -8.483) 8.810 9.440 ( -1.761 -2.547 -0.903) 3.225 9.600 ( 0.025 -3.774 -8.924) 9.689 10.490 ( 0.010 -3.522 8.998) 9.662 10.678 ( -0.723 -8.726 4.116) 9.675 11.341 ( -0.400 8.246 3.042) 8.798 11.788 ( 1.015 -4.194 -13.233) 13.919 12.592 ( -0.529 -2.042 7.372) 7.668 12.857 ( 1.236 -5.267 -3.025) 6.198 13.254 ( -1.443 0.043 8.791) 8.909 13.308 ( -1.047 8.160 3.562) 8.964 13.555 ( 1.314 6.408 -8.923) 11.064 13.777 ( -0.366 -9.900 -11.167) 14.928 14.120 ( -1.046 -4.522 1.418) 4.853 14.210 ( 2.749 -6.752 -5.432) 9.091 14.501 ( 4.708 4.978 2.989) 7.475 14.774 ( 0.384 -0.056 -5.036) 5.051 15.411 ( -1.228 -2.878 6.372) 7.099 15.564 ( -1.117 -4.494 -0.647) 4.676 16.319 ( -1.870 3.030 8.385) 9.109 16.530 ( -1.786 2.173 0.651) 2.887 16.584 ( -1.768 -1.425 11.689) 11.907 16.983 ( 1.100 -3.097 -6.852) 7.599 24.634 ( -0.149 0.009 0.255) 0.295 24.667 ( -0.407 -0.552 -1.175) 1.361 24.816 ( 0.092 0.964 0.703) 1.197 24.844 ( -0.027 0.625 -0.525) 0.817 26.228 ( -0.147 -3.013 0.772) 3.114 26.261 ( -0.214 -3.233 -0.907) 3.365 26.512 ( -0.562 1.924 4.941) 5.332 26.614 ( 1.013 0.382 1.986) 2.262 26.879 ( -0.754 -0.184 5.842) 5.894 27.074 ( 1.098 -5.856 -0.021) 5.958 27.371 ( 0.493 8.723 -7.741) 11.673 27.679 ( 4.130 2.643 -14.675) 15.472 28.929 ( 1.123 1.312 7.240) 7.443 29.153 ( 0.930 -3.159 -3.847) 5.064 29.573 ( -4.305 0.421 8.815) 9.819 29.785 ( -0.454 -3.201 -1.517) 3.571 ======================= Grid point 103 (54/80) ======================= q-point: (-0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( -4.588 4.516 11.690) 13.345 1.433 ( -5.042 6.081 6.816) 10.433 1.689 ( -4.038 5.432 -3.901) 7.812 1.727 ( 0.691 7.336 -2.565) 7.802 1.807 ( -0.562 7.913 2.353) 8.274 1.846 ( 6.762 4.067 2.751) 8.357 1.982 ( -1.239 7.609 1.893) 7.938 2.086 ( -2.592 4.422 13.243) 14.201 2.155 ( -2.682 7.557 -1.288) 8.121 2.198 ( -3.656 5.526 6.736) 9.449 2.267 ( -1.806 5.411 -1.685) 5.948 2.434 ( 5.374 5.151 -2.143) 7.746 2.473 ( 2.690 4.837 4.442) 7.097 2.719 ( 1.991 0.285 3.026) 3.634 2.837 ( -3.240 -0.909 -6.201) 7.055 2.930 ( 3.501 -0.394 0.575) 3.570 3.003 ( 1.249 -0.514 -8.119) 8.231 3.037 ( 0.925 -3.497 -0.574) 3.663 3.122 ( 0.148 -1.180 1.000) 1.554 3.168 ( 1.158 -3.409 -3.800) 5.235 3.277 ( 1.767 0.248 2.464) 3.042 3.323 ( 0.266 -0.340 2.167) 2.209 3.360 ( 0.496 0.928 -0.654) 1.239 3.521 ( 0.466 3.144 5.504) 6.355 3.572 ( 2.009 -1.053 -2.810) 3.611 3.643 ( -1.267 2.709 0.825) 3.102 3.728 ( 1.802 3.681 -0.769) 4.170 3.780 ( 0.620 1.589 -1.588) 2.331 3.914 ( -3.674 3.661 -2.645) 5.821 3.955 ( 0.994 7.646 3.435) 8.441 4.026 ( 3.075 3.301 -1.013) 4.623 4.090 ( -1.650 5.618 -3.814) 6.988 4.252 ( -3.436 5.814 -1.867) 7.007 4.315 ( -0.588 8.741 1.965) 8.979 4.586 ( 0.927 8.460 1.309) 8.610 4.965 ( -1.430 -0.478 3.096) 3.444 4.997 ( 1.881 12.104 -12.146) 17.250 5.160 ( -2.005 -0.875 -5.212) 5.653 5.360 ( -0.882 -3.150 7.320) 8.018 5.653 ( 1.200 -5.588 -1.612) 5.938 6.293 ( -0.327 5.219 2.048) 5.616 6.300 ( -0.143 4.432 1.144) 4.579 6.458 ( -0.264 -0.709 1.569) 1.742 6.632 ( -5.895 -7.817 -7.007) 12.040 6.971 ( 0.900 -8.040 -1.575) 8.242 7.039 ( -0.378 -7.581 -1.856) 7.814 7.262 ( -0.050 2.243 14.262) 14.437 7.511 ( -0.683 0.653 1.616) 1.872 7.585 ( -2.872 2.255 2.306) 4.319 7.751 ( 1.220 -2.390 -0.083) 2.685 7.865 ( 0.668 2.579 3.043) 4.045 7.915 ( 0.204 1.159 -10.323) 10.390 8.106 ( -0.357 3.084 -6.373) 7.089 8.203 ( -0.894 -0.178 -8.849) 8.896 8.542 ( -2.379 -1.665 8.886) 9.348 8.642 ( 2.058 -5.626 12.273) 13.657 9.027 ( 1.813 -1.018 -4.982) 5.398 9.193 ( 2.802 -2.994 -8.504) 9.441 9.416 ( -0.052 -1.681 -0.793) 1.860 9.597 ( 1.350 -3.569 -8.987) 9.763 10.500 ( -0.845 -3.466 9.083) 9.759 10.669 ( -0.806 -8.582 4.092) 9.542 11.345 ( 0.251 8.152 3.050) 8.708 11.786 ( 1.207 -4.310 -13.291) 14.025 12.586 ( -1.338 -2.095 6.964) 7.394 12.874 ( 0.737 -5.106 -3.052) 5.994 13.243 ( -1.073 1.743 8.900) 9.132 13.301 ( -0.240 6.652 4.207) 7.874 13.558 ( 0.489 6.853 -8.780) 11.148 13.761 ( 0.809 -10.831 -11.072) 15.510 14.078 ( -1.985 -3.712 1.148) 4.363 14.281 ( 3.870 -7.776 -6.107) 10.618 14.579 ( 1.570 3.088 3.125) 4.666 14.713 ( -5.014 0.390 -6.448) 8.178 15.412 ( 0.189 -2.746 6.666) 7.212 15.549 ( -0.002 -3.815 -0.112) 3.817 16.319 ( 0.436 2.633 9.861) 10.216 16.500 ( -1.274 1.946 2.590) 3.481 16.568 ( -1.443 0.752 9.256) 9.398 17.001 ( 1.610 -3.330 -6.419) 7.409 24.635 ( 0.197 -0.086 0.332) 0.396 24.661 ( 0.098 -0.564 -1.055) 1.201 24.822 ( 0.235 0.970 0.608) 1.168 24.843 ( 0.010 0.685 -0.594) 0.907 26.202 ( -1.566 -2.297 0.958) 2.940 26.291 ( 2.362 -3.501 -1.215) 4.395 26.490 ( -2.354 2.508 4.862) 5.956 26.616 ( -1.185 -0.128 2.777) 3.022 26.876 ( -0.573 -0.130 5.837) 5.866 27.085 ( -0.134 -5.979 -0.114) 5.982 27.365 ( 0.319 8.690 -7.626) 11.566 27.713 ( 1.523 1.248 -16.645) 16.761 28.954 ( -0.383 0.090 6.613) 6.625 29.151 ( -0.349 -3.093 -4.114) 5.159 29.525 ( -1.418 2.458 10.983) 11.343 29.793 ( 1.393 -3.189 -1.519) 3.797 ======================= Grid point 104 (55/80) ======================= q-point: (-0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( -7.212 6.059 14.839) 17.576 1.392 ( -2.182 12.415 9.969) 16.071 1.622 ( -1.302 3.395 -8.291) 9.054 1.725 ( 0.730 7.377 -3.573) 8.229 1.843 ( -1.210 2.006 2.046) 3.111 1.913 ( 3.645 6.601 0.967) 7.603 1.981 ( 0.599 2.414 1.398) 2.853 2.080 ( 0.446 9.860 4.957) 11.045 2.134 ( -0.268 0.909 6.442) 6.511 2.201 ( 2.687 11.613 6.502) 13.578 2.264 ( 1.701 5.069 -2.394) 5.858 2.538 ( 3.504 2.512 6.406) 7.722 2.582 ( 5.556 5.529 2.239) 8.152 2.756 ( 1.281 0.768 6.408) 6.580 2.770 ( -1.312 -0.247 -4.372) 4.571 2.975 ( 0.346 1.547 -1.988) 2.543 2.989 ( -1.044 -0.857 -4.312) 4.518 3.049 ( 0.654 -1.651 -1.701) 2.460 3.153 ( 0.860 -0.444 -1.698) 1.954 3.164 ( -0.670 0.920 -3.659) 3.832 3.250 ( -2.562 6.105 -6.324) 9.156 3.295 ( -1.019 1.458 6.861) 7.088 3.417 ( -1.038 -1.066 4.648) 4.880 3.519 ( 0.887 -0.220 2.096) 2.287 3.577 ( -0.855 -1.032 -2.443) 2.786 3.613 ( -1.057 -0.530 -0.248) 1.208 3.715 ( -2.729 -0.584 -3.158) 4.215 3.791 ( -2.604 5.685 -1.380) 6.404 3.820 ( -2.911 0.495 1.853) 3.486 3.971 ( 1.073 5.461 -0.276) 5.573 4.054 ( 1.668 0.156 -0.808) 1.860 4.098 ( 0.397 5.318 -3.358) 6.302 4.188 ( -0.665 11.337 -2.609) 11.652 4.343 ( 2.135 11.659 3.150) 12.264 4.591 ( -0.389 7.445 -2.340) 7.814 4.906 ( -4.627 2.988 0.737) 5.557 5.017 ( 1.951 5.364 -7.791) 9.658 5.113 ( -0.392 1.185 -7.078) 7.187 5.375 ( 0.918 -2.388 5.899) 6.430 5.659 ( -0.526 -6.902 -0.383) 6.933 6.286 ( -0.534 2.187 1.931) 2.966 6.302 ( -0.181 6.819 1.999) 7.108 6.441 ( -0.651 -0.600 -0.777) 1.178 6.484 ( -6.021 -3.143 -5.445) 8.706 6.947 ( -2.389 -7.458 -0.443) 7.844 7.030 ( -0.102 -7.483 -2.776) 7.982 7.263 ( -2.255 2.270 14.853) 15.194 7.512 ( 0.360 0.670 0.856) 1.145 7.558 ( -0.035 0.712 3.200) 3.279 7.771 ( 0.571 -2.070 1.079) 2.404 7.867 ( -1.390 3.887 0.212) 4.133 7.900 ( 0.479 0.504 -5.212) 5.258 8.105 ( 1.613 4.777 -6.930) 8.570 8.167 ( -0.668 -0.508 -8.404) 8.446 8.513 ( -1.745 0.454 7.854) 8.058 8.705 ( 1.371 -8.145 8.235) 11.664 9.054 ( 1.508 -1.920 -3.550) 4.308 9.238 ( 2.036 -3.649 -7.401) 8.500 9.442 ( 2.419 -2.229 0.280) 3.301 9.618 ( 2.014 -4.804 -8.210) 9.723 10.489 ( -1.649 -4.343 9.384) 10.470 10.664 ( -0.359 -9.209 3.817) 9.975 11.358 ( 0.303 8.304 2.747) 8.751 11.788 ( 1.342 -4.275 -13.202) 13.942 12.570 ( -1.223 -2.035 6.550) 6.967 12.870 ( -0.480 -4.797 -3.609) 6.022 13.245 ( -0.345 0.090 9.311) 9.317 13.317 ( 1.172 7.212 2.971) 7.888 13.540 ( -0.697 7.744 -7.793) 11.008 13.772 ( 2.254 -10.980 -11.129) 15.796 14.064 ( 0.609 -2.498 0.956) 2.743 14.293 ( -3.191 -7.999 -4.290) 9.621 14.571 ( -2.822 2.000 2.751) 4.420 14.605 ( -1.514 4.319 -7.011) 8.373 15.432 ( 0.296 -2.837 6.750) 7.328 15.564 ( 1.173 -3.710 0.446) 3.917 16.366 ( 1.682 0.512 9.933) 10.088 16.489 ( -0.550 -0.432 7.824) 7.855 16.568 ( 0.181 3.315 5.241) 6.204 17.017 ( 0.865 -3.599 -6.301) 7.308 24.642 ( 0.261 -0.217 0.462) 0.574 24.667 ( 0.626 -0.655 -0.964) 1.323 24.826 ( -0.005 1.024 0.434) 1.112 24.843 ( 0.144 0.884 -0.679) 1.124 26.185 ( -0.088 -1.125 1.610) 1.966 26.330 ( 0.951 -3.749 -2.197) 4.448 26.450 ( -1.295 3.154 4.357) 5.532 26.580 ( -2.558 0.032 2.936) 3.894 26.877 ( -0.369 -0.161 5.539) 5.553 27.070 ( -1.276 -5.444 1.391) 5.762 27.360 ( 0.695 8.667 -8.385) 12.079 27.680 ( -1.383 2.447 -16.145) 16.388 28.933 ( -2.344 0.778 5.838) 6.339 29.132 ( -0.479 -2.675 -4.552) 5.301 29.561 ( 2.229 0.675 12.214) 12.434 29.825 ( 1.540 -4.014 -1.038) 4.422 ======================= Grid point 105 (56/80) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.317 ( 2.562 9.699 8.208) 12.962 1.553 ( 2.583 1.041 2.332) 3.633 1.729 ( 0.130 6.774 -2.696) 7.291 1.822 ( 1.435 2.701 -1.324) 3.333 1.867 ( -3.146 3.748 8.442) 9.758 1.989 ( -2.333 -0.814 6.669) 7.112 2.075 ( 2.677 4.839 0.862) 5.597 2.168 ( 4.102 2.803 -3.790) 6.249 2.227 ( -3.858 6.406 -2.663) 7.938 2.382 ( 3.335 2.604 -4.067) 5.869 2.454 ( 0.456 2.263 2.495) 3.399 2.638 ( 2.299 -1.712 1.486) 3.228 2.671 ( -0.446 2.243 3.384) 4.084 2.767 ( 0.535 -0.095 2.459) 2.519 2.866 ( -0.677 2.071 0.167) 2.186 2.920 ( -2.929 -3.271 -5.060) 6.699 2.953 ( -0.212 0.489 1.777) 1.855 3.027 ( -1.093 0.290 0.341) 1.181 3.119 ( -2.394 2.219 -2.322) 4.006 3.193 ( -0.964 0.685 -3.554) 3.746 3.296 ( 0.106 0.746 2.971) 3.065 3.389 ( -0.027 2.259 1.220) 2.568 3.468 ( 0.638 5.248 4.787) 7.132 3.508 ( -3.064 2.772 -1.495) 4.394 3.532 ( -1.327 -0.390 -0.118) 1.388 3.606 ( 3.810 4.664 2.292) 6.444 3.697 ( -0.813 0.064 2.987) 3.097 3.735 ( -2.161 -0.988 0.073) 2.377 3.865 ( -0.694 2.974 2.891) 4.205 3.998 ( -3.365 -1.167 1.837) 4.007 4.037 ( 2.396 0.334 -3.140) 3.963 4.180 ( -1.085 -0.159 -4.441) 4.575 4.426 ( -0.291 10.902 -4.264) 11.710 4.501 ( -1.447 6.013 -4.871) 7.873 4.859 ( 1.949 14.476 4.356) 15.243 4.926 ( -0.076 4.157 4.272) 5.961 5.098 ( 5.289 -0.325 -4.301) 6.825 5.162 ( 1.400 -1.757 -2.294) 3.211 5.411 ( -0.592 3.308 -2.189) 4.011 5.472 ( -1.577 -5.906 -0.497) 6.133 6.313 ( -0.674 1.761 2.823) 3.394 6.386 ( -1.216 0.047 0.751) 1.430 6.438 ( 0.271 4.379 -4.365) 6.189 6.461 ( 4.005 -0.344 -5.381) 6.716 6.771 ( -2.535 -3.750 0.140) 4.529 6.879 ( -0.110 -6.616 -2.949) 7.244 7.307 ( -2.349 4.735 17.302) 18.091 7.510 ( 0.349 -1.682 3.337) 3.753 7.541 ( 1.656 -3.670 4.229) 5.839 7.659 ( -0.698 -6.848 1.739) 7.099 7.906 ( 0.593 1.836 -7.939) 8.170 7.999 ( -0.359 4.303 -1.488) 4.567 8.102 ( 0.526 0.116 -4.074) 4.109 8.230 ( 2.110 0.530 -3.454) 4.082 8.544 ( -0.703 2.977 4.354) 5.322 8.591 ( -1.396 -3.403 8.514) 9.275 9.017 ( -0.099 -1.143 -5.284) 5.407 9.159 ( 0.378 -5.532 -7.406) 9.252 9.428 ( 0.684 -1.375 -2.780) 3.176 9.529 ( 0.679 -4.890 -7.730) 9.172 10.404 ( -1.014 -1.839 7.415) 7.707 10.501 ( -0.129 -6.781 4.331) 8.047 11.524 ( 0.130 7.613 -2.067) 7.890 11.723 ( 1.043 -3.061 -9.665) 10.192 12.543 ( -0.493 -0.011 7.878) 7.893 12.714 ( -1.012 -7.884 4.166) 8.974 13.241 ( 0.018 1.645 -0.975) 1.912 13.412 ( 0.657 -3.210 -4.863) 5.863 13.676 ( -0.429 6.341 -5.105) 8.152 13.701 ( 3.052 1.543 -6.658) 7.485 14.059 ( 1.058 -2.187 0.604) 2.504 14.098 ( -2.416 -3.993 -1.320) 4.850 14.563 ( -2.198 4.415 1.858) 5.270 14.677 ( 2.588 0.352 -4.171) 4.921 15.394 ( -0.637 -1.282 5.048) 5.247 15.491 ( 0.081 -4.953 0.728) 5.007 16.404 ( -0.857 1.208 9.918) 10.028 16.466 ( -0.352 -1.948 13.097) 13.246 16.683 ( 0.389 5.692 -1.235) 5.837 16.918 ( -0.111 -5.436 -5.643) 7.836 24.645 ( 0.017 0.201 0.277) 0.343 24.663 ( 0.330 -0.677 -0.513) 0.911 24.842 ( -0.222 0.878 -0.083) 0.909 24.857 ( 0.055 0.230 -0.717) 0.755 26.191 ( 0.213 0.212 1.490) 1.520 26.256 ( -0.862 -2.734 -1.541) 3.254 26.508 ( 0.593 1.540 4.573) 4.862 26.548 ( -0.190 -0.156 3.250) 3.260 26.888 ( -0.422 0.958 5.639) 5.735 26.970 ( -0.885 -3.143 5.288) 6.215 27.520 ( 1.494 6.892 -13.605) 15.324 27.671 ( 0.723 0.015 -15.793) 15.809 28.950 ( -0.745 2.841 3.807) 4.809 29.068 ( 0.156 -2.914 -1.957) 3.514 29.625 ( 0.228 1.535 7.836) 7.988 29.748 ( -0.391 -4.208 1.250) 4.407 ======================= Grid point 106 (57/80) ======================= q-point: ( 0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 4.112 10.145 7.956) 13.533 1.642 ( 4.467 1.959 2.521) 5.491 1.679 ( -1.947 4.437 -0.978) 4.943 1.809 ( -4.769 0.747 1.150) 4.962 1.878 ( 0.956 4.057 2.476) 4.848 1.936 ( -0.156 -0.593 5.534) 5.568 2.162 ( -2.235 6.735 0.159) 7.098 2.183 ( 7.048 5.100 -3.131) 9.246 2.205 ( -0.159 3.493 -1.014) 3.641 2.398 ( -1.843 3.306 3.051) 4.861 2.461 ( -1.963 2.934 2.677) 4.431 2.585 ( -3.463 -2.009 -1.652) 4.331 2.683 ( -2.792 1.988 0.380) 3.449 2.780 ( 0.620 -1.045 -1.292) 1.773 2.823 ( 0.292 2.269 -0.069) 2.289 2.887 ( 0.956 -4.761 -3.294) 5.868 2.948 ( -3.502 2.336 4.530) 6.183 2.980 ( -2.426 -1.947 4.149) 5.185 3.066 ( -1.453 4.007 -5.519) 6.973 3.149 ( -1.823 -0.396 -1.665) 2.501 3.283 ( -3.674 3.572 -0.017) 5.125 3.349 ( -0.329 3.110 0.954) 3.270 3.435 ( -3.558 -0.723 -2.750) 4.555 3.482 ( -2.606 5.773 6.486) 9.065 3.529 ( 3.813 -0.256 2.530) 4.583 3.635 ( -1.617 -0.542 -2.503) 3.029 3.685 ( 2.184 -0.730 -0.680) 2.401 3.836 ( 7.231 1.059 1.873) 7.544 3.907 ( 0.845 -0.372 2.079) 2.275 3.933 ( 0.912 7.593 0.953) 7.707 4.120 ( 2.824 -2.417 -0.475) 3.748 4.140 ( -0.335 0.187 -2.093) 2.128 4.408 ( -0.454 10.053 -1.654) 10.198 4.476 ( -0.223 6.337 -5.174) 8.184 4.877 ( -0.761 15.772 5.889) 16.853 4.963 ( 1.407 2.556 3.837) 4.820 5.167 ( -0.770 -1.514 -1.952) 2.587 5.186 ( 3.654 0.791 -6.461) 7.465 5.383 ( -1.521 3.261 -1.194) 3.791 5.470 ( 1.752 -4.901 -2.133) 5.625 6.325 ( 1.213 1.609 1.868) 2.748 6.383 ( 0.851 -0.113 0.742) 1.135 6.440 ( 0.426 5.296 -3.455) 6.338 6.550 ( 4.336 -4.268 -6.893) 9.194 6.736 ( -0.213 -2.640 2.027) 3.335 6.881 ( 0.707 -7.008 -1.446) 7.191 7.298 ( -1.563 5.568 17.623) 18.548 7.514 ( -0.575 -2.145 3.857) 4.450 7.586 ( 1.538 -4.747 2.625) 5.638 7.650 ( -0.529 -6.075 1.449) 6.268 7.912 ( 1.334 1.571 -8.033) 8.293 7.986 ( -0.532 5.279 -1.036) 5.406 8.103 ( 0.543 -0.410 -5.661) 5.701 8.253 ( 0.568 -0.565 -4.116) 4.193 8.538 ( -0.445 3.269 5.728) 6.610 8.576 ( -1.591 -3.216 8.247) 8.993 8.997 ( -0.612 -0.720 -5.588) 5.668 9.140 ( -0.639 -5.103 -7.666) 9.232 9.422 ( -0.581 -1.355 -2.870) 3.227 9.523 ( 0.187 -4.776 -7.782) 9.132 10.412 ( 0.377 -1.566 7.304) 7.480 10.514 ( 0.442 -6.757 4.502) 8.131 11.515 ( -0.481 7.837 -2.016) 8.106 11.722 ( 0.627 -3.168 -9.728) 10.251 12.553 ( -0.107 -0.396 8.314) 8.324 12.707 ( -0.334 -7.599 4.220) 8.698 13.242 ( 0.248 1.482 -0.977) 1.793 13.415 ( 0.430 -3.295 -4.596) 5.672 13.664 ( 0.336 6.304 -5.424) 8.323 13.745 ( 1.672 3.223 -7.872) 8.669 14.023 ( -1.488 -3.386 0.068) 3.699 14.087 ( -0.825 -5.417 -0.652) 5.518 14.554 ( 1.218 6.445 1.875) 6.822 14.734 ( 2.896 -1.220 -3.453) 4.669 15.383 ( -1.260 -1.208 5.043) 5.336 15.485 ( -0.691 -5.101 0.532) 5.175 16.394 ( -1.654 2.096 9.533) 9.900 16.486 ( -0.389 -2.928 13.174) 13.501 16.678 ( -0.559 5.531 -1.406) 5.734 16.904 ( -0.050 -5.062 -5.837) 7.726 24.643 ( -0.216 0.342 0.101) 0.417 24.664 ( -0.146 -0.654 -0.685) 0.959 24.837 ( -0.253 0.916 0.077) 0.953 24.855 ( -0.128 0.118 -0.572) 0.598 26.190 ( -0.351 -0.489 0.998) 1.166 26.230 ( -1.272 -2.352 -0.648) 2.752 26.529 ( 0.685 1.441 4.476) 4.752 26.577 ( 1.636 -0.505 3.321) 3.736 26.889 ( -0.551 0.842 5.622) 5.712 26.969 ( -0.134 -3.199 4.909) 5.861 27.527 ( 1.554 6.829 -13.722) 15.406 27.673 ( 2.265 0.182 -15.430) 15.596 28.951 ( 0.172 2.956 4.137) 5.087 29.075 ( 0.767 -3.125 -1.765) 3.670 29.628 ( -1.373 1.166 7.054) 7.280 29.734 ( -1.012 -3.670 1.196) 3.990 ======================= Grid point 107 (58/80) ======================= q-point: ( 0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.448 ( -2.294 7.439 10.319) 12.926 1.597 ( -7.401 -0.264 7.560) 10.583 1.740 ( 3.365 2.207 0.043) 4.024 1.778 ( 4.586 0.734 -0.010) 4.645 1.892 ( 0.359 4.656 0.903) 4.756 1.971 ( -0.174 1.807 1.032) 2.089 2.039 ( -6.756 4.480 1.939) 8.335 2.217 ( 1.360 -0.043 -2.988) 3.284 2.332 ( -4.743 8.198 6.951) 11.748 2.339 ( 2.993 4.979 1.989) 6.140 2.408 ( 2.611 6.848 4.593) 8.649 2.568 ( -0.156 5.213 1.145) 5.340 2.598 ( -5.085 1.298 -0.758) 5.302 2.740 ( -2.895 5.538 0.079) 6.250 2.819 ( -2.301 -2.551 0.893) 3.550 2.888 ( -0.992 -5.163 2.359) 5.762 2.920 ( 4.116 -0.177 -5.144) 6.590 2.993 ( 0.811 -0.620 -0.390) 1.093 3.045 ( 1.907 -1.882 -5.552) 6.165 3.116 ( -2.473 -1.646 -2.482) 3.871 3.215 ( -0.197 1.491 -0.309) 1.535 3.347 ( -1.608 -1.595 -1.069) 2.504 3.378 ( 0.735 2.927 -1.803) 3.515 3.512 ( 3.037 3.694 4.091) 6.293 3.578 ( -1.782 -0.546 -4.990) 5.326 3.634 ( 4.116 -0.465 3.090) 5.168 3.731 ( 2.052 -1.570 -4.435) 5.133 3.830 ( -2.664 -0.868 -2.173) 3.546 3.969 ( 1.090 5.062 2.568) 5.780 4.024 ( 4.038 4.720 1.320) 6.350 4.109 ( 0.512 3.374 0.929) 3.537 4.189 ( 0.924 0.036 0.254) 0.959 4.411 ( 0.825 8.589 -0.407) 8.638 4.472 ( 0.804 6.611 -3.955) 7.745 4.861 ( -1.775 16.029 6.780) 17.495 4.973 ( -1.054 0.831 5.392) 5.557 5.132 ( -1.876 -2.285 -0.172) 2.962 5.205 ( -1.443 -1.549 -2.123) 2.998 5.365 ( 0.750 5.715 -4.668) 7.417 5.516 ( 2.461 -3.818 -3.917) 5.998 6.349 ( 0.427 2.235 2.029) 3.048 6.417 ( 1.627 -0.569 1.667) 2.398 6.440 ( 0.253 5.623 -3.265) 6.507 6.571 ( -0.545 -5.253 -6.772) 8.588 6.783 ( 3.192 -3.775 1.947) 5.313 6.896 ( 0.624 -6.818 -0.373) 6.857 7.309 ( -0.587 5.318 17.317) 18.125 7.503 ( -1.324 -2.528 5.818) 6.480 7.595 ( -1.407 -4.713 3.066) 5.796 7.646 ( 0.574 -5.471 -3.155) 6.342 7.927 ( 1.327 1.305 -8.094) 8.305 7.978 ( 0.044 6.172 -0.304) 6.179 8.103 ( 0.471 -1.602 -6.260) 6.479 8.237 ( -1.213 -1.689 -4.107) 4.603 8.551 ( 0.118 2.215 5.446) 5.881 8.559 ( -1.091 -1.064 9.463) 9.585 8.984 ( 0.683 -0.581 -6.389) 6.451 9.115 ( -0.090 -4.657 -8.304) 9.521 9.403 ( -0.551 -0.522 -2.993) 3.088 9.514 ( 0.415 -4.567 -8.013) 9.233 10.437 ( 0.371 -1.504 7.254) 7.418 10.527 ( -0.209 -6.209 4.669) 7.771 11.503 ( -0.202 7.782 -1.837) 7.998 11.715 ( 0.553 -3.391 -9.886) 10.466 12.563 ( -0.563 -0.494 8.402) 8.435 12.716 ( 0.221 -7.793 4.782) 9.146 13.246 ( 0.265 1.556 -1.108) 1.928 13.413 ( 0.121 -2.557 -3.814) 4.593 13.667 ( 0.668 6.173 -5.835) 8.521 13.733 ( -0.711 5.675 -7.736) 9.621 14.022 ( -0.563 -5.074 0.250) 5.112 14.064 ( 0.892 -7.629 -3.037) 8.260 14.603 ( 2.429 5.338 2.592) 6.412 14.762 ( 0.065 -1.533 -2.996) 3.366 15.369 ( -0.778 -0.828 4.982) 5.110 15.470 ( -0.668 -4.744 0.467) 4.814 16.378 ( -1.476 2.932 9.800) 10.335 16.492 ( -1.352 -2.974 12.385) 12.808 16.662 ( -0.531 5.973 -1.538) 6.191 16.900 ( 0.770 -5.174 -5.733) 7.761 24.638 ( -0.166 0.356 -0.031) 0.394 24.656 ( -0.353 -0.504 -0.790) 1.002 24.835 ( 0.065 0.842 0.217) 0.872 24.852 ( -0.044 0.084 -0.468) 0.478 26.187 ( -0.335 -1.118 0.677) 1.349 26.209 ( -0.119 -1.985 -0.527) 2.057 26.546 ( -0.194 1.619 5.184) 5.434 26.605 ( 0.215 -1.094 3.782) 3.943 26.888 ( -0.562 1.034 5.729) 5.849 26.979 ( 0.197 -3.782 3.966) 5.484 27.530 ( 1.123 7.084 -13.338) 15.145 27.699 ( 2.662 -0.853 -16.117) 16.357 28.967 ( 0.424 2.488 4.360) 5.038 29.087 ( 0.557 -3.349 -1.587) 3.748 29.602 ( -2.037 2.266 6.801) 7.452 29.719 ( -0.409 -3.330 1.031) 3.510 ======================= Grid point 108 (59/80) ======================= q-point: (-0.40 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.379 ( -5.889 4.125 11.692) 13.726 1.515 ( -1.075 1.129 8.011) 8.161 1.751 ( -3.742 2.321 0.347) 4.417 1.817 ( -0.355 -1.597 1.181) 2.018 1.906 ( 2.255 7.787 -3.795) 8.952 1.965 ( 0.678 5.099 3.925) 6.470 2.014 ( 2.676 -1.335 3.078) 4.291 2.179 ( -5.505 1.596 5.919) 8.239 2.280 ( -0.052 3.387 0.471) 3.420 2.349 ( -2.172 10.772 0.717) 11.012 2.441 ( -2.028 12.464 3.193) 13.025 2.556 ( 2.727 3.944 0.323) 4.805 2.596 ( 2.599 4.822 3.457) 6.477 2.707 ( 0.112 -0.791 3.961) 4.041 2.798 ( -1.175 -2.154 -1.675) 2.971 2.914 ( 2.452 -5.619 2.827) 6.751 2.966 ( 2.281 2.906 -2.616) 4.527 3.016 ( 1.298 -1.275 -8.393) 8.588 3.095 ( 2.661 -2.159 -4.680) 5.800 3.107 ( 3.495 -1.966 -1.912) 4.442 3.253 ( 2.515 -0.725 2.449) 3.584 3.302 ( -0.798 -0.061 -2.334) 2.467 3.417 ( 0.847 1.115 -0.447) 1.470 3.534 ( -0.578 -4.486 -3.357) 5.633 3.566 ( 1.244 3.758 -1.949) 4.413 3.702 ( -0.800 3.154 0.913) 3.380 3.751 ( 1.854 -1.937 -3.815) 4.663 3.786 ( -0.371 0.741 -2.277) 2.423 3.951 ( -2.880 2.910 2.549) 4.823 4.051 ( -0.353 1.541 -0.383) 1.627 4.118 ( -1.773 4.897 1.788) 5.506 4.190 ( 0.483 2.911 -1.047) 3.131 4.428 ( 0.683 9.882 -1.989) 10.103 4.498 ( 2.085 7.391 -1.288) 7.787 4.831 ( -2.188 14.526 6.574) 16.094 4.958 ( -0.853 0.364 5.484) 5.561 5.102 ( -2.001 -3.336 2.087) 4.415 5.136 ( -3.358 -1.973 -0.886) 3.994 5.387 ( 1.827 5.865 -5.697) 8.378 5.539 ( 0.257 -4.168 -3.504) 5.451 6.348 ( -0.757 2.609 2.303) 3.561 6.432 ( -0.323 2.368 1.509) 2.827 6.439 ( -0.151 1.957 -2.801) 3.420 6.528 ( -2.358 -2.676 -5.943) 6.931 6.831 ( 0.839 -5.163 0.725) 5.280 6.900 ( -0.118 -6.253 -1.181) 6.364 7.328 ( -0.949 4.214 16.525) 17.080 7.487 ( -1.148 -2.150 7.346) 7.740 7.555 ( -2.355 -3.201 2.073) 4.483 7.658 ( 0.950 -6.354 -3.209) 7.182 7.930 ( 0.393 1.435 -8.134) 8.269 7.987 ( 0.749 5.893 0.007) 5.941 8.100 ( 0.317 -1.939 -5.504) 5.844 8.201 ( -1.113 -1.096 -3.401) 3.743 8.544 ( -0.620 1.232 5.156) 5.337 8.583 ( 0.479 -0.100 9.337) 9.350 8.999 ( 1.653 -1.004 -6.581) 6.860 9.116 ( 1.816 -4.755 -8.468) 9.880 9.395 ( 0.411 0.082 -2.993) 3.022 9.514 ( 1.029 -4.564 -8.106) 9.359 10.444 ( -1.083 -1.739 7.278) 7.561 10.522 ( -1.049 -5.916 4.639) 7.590 11.504 ( 0.591 7.566 -1.756) 7.790 11.712 ( 0.934 -3.428 -9.920) 10.537 12.559 ( -1.232 -0.189 8.015) 8.111 12.728 ( -0.060 -8.232 5.100) 9.684 13.247 ( 0.050 1.773 -1.201) 2.142 13.408 ( 0.107 -1.805 -3.470) 3.913 13.660 ( -0.068 3.739 -6.090) 7.147 13.717 ( 0.310 7.383 -7.184) 10.306 13.995 ( -0.705 -4.310 0.389) 4.385 14.113 ( 2.951 -8.596 -3.838) 9.866 14.638 ( 0.084 3.158 2.872) 4.270 14.724 ( -2.777 0.005 -3.258) 4.281 15.373 ( 0.255 -0.738 5.000) 5.060 15.466 ( 0.245 -4.310 0.627) 4.362 16.374 ( -0.637 2.835 10.457) 10.853 16.480 ( -1.873 -2.276 11.653) 12.020 16.657 ( 0.405 6.335 -1.393) 6.499 16.912 ( 1.197 -5.564 -5.498) 7.913 24.637 ( 0.075 0.233 0.068) 0.254 24.651 ( 0.028 -0.430 -0.666) 0.794 24.839 ( 0.279 0.762 0.132) 0.822 24.852 ( 0.154 0.185 -0.547) 0.597 26.176 ( -0.407 -0.320 0.643) 0.825 26.229 ( 1.635 -2.676 -0.836) 3.245 26.535 ( -1.784 1.988 5.313) 5.947 26.600 ( -1.361 -1.312 4.191) 4.597 26.887 ( -0.520 1.183 5.732) 5.876 26.986 ( -0.319 -3.993 3.851) 5.557 27.525 ( 0.816 7.282 -13.078) 14.991 27.711 ( 1.366 -1.638 -16.817) 16.951 28.976 ( -0.447 1.991 4.122) 4.599 29.088 ( -0.246 -3.240 -1.689) 3.662 29.584 ( -0.752 3.328 7.493) 8.233 29.724 ( 0.631 -3.606 0.980) 3.789 ======================= Grid point 109 (60/80) ======================= q-point: (-0.20 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( -2.836 7.413 10.912) 13.493 1.525 ( 0.052 0.131 5.846) 5.847 1.708 ( 0.620 4.739 -3.342) 5.832 1.809 ( -0.019 0.052 1.603) 1.604 1.918 ( -1.493 6.856 1.544) 7.185 2.009 ( 2.597 2.369 3.980) 5.310 2.054 ( -5.070 5.081 3.169) 7.846 2.091 ( 2.997 -0.952 3.900) 5.010 2.298 ( -0.609 3.698 -5.831) 6.931 2.319 ( 1.309 6.336 -0.141) 6.471 2.432 ( 1.072 7.828 2.767) 8.372 2.605 ( 0.323 3.967 3.782) 5.491 2.650 ( 2.019 0.582 2.941) 3.614 2.739 ( 1.162 -1.527 2.744) 3.349 2.804 ( 3.501 3.668 1.562) 5.306 2.955 ( 0.338 -2.412 2.514) 3.500 2.993 ( -1.240 -1.950 -7.848) 8.181 3.022 ( 1.774 -0.146 -1.396) 2.262 3.139 ( 1.270 0.408 -3.428) 3.679 3.178 ( 2.990 -0.151 -3.605) 4.686 3.281 ( 0.829 0.293 -0.541) 1.032 3.349 ( 3.710 -0.498 -0.011) 3.743 3.416 ( 0.606 3.120 3.150) 4.474 3.535 ( 0.351 -2.654 0.606) 2.745 3.569 ( 0.232 0.889 -2.596) 2.754 3.622 ( -5.439 3.987 -1.059) 6.826 3.733 ( -2.745 2.289 -1.107) 3.741 3.796 ( -1.383 -1.222 1.981) 2.707 3.890 ( -2.225 2.489 2.529) 4.189 4.030 ( -1.705 -1.778 0.309) 2.483 4.070 ( -2.118 5.208 -1.854) 5.920 4.195 ( 0.025 2.548 -2.506) 3.574 4.430 ( 0.398 11.167 -4.532) 12.058 4.529 ( 0.396 6.184 -2.831) 6.813 4.815 ( 0.286 12.324 5.206) 13.382 4.956 ( -1.689 3.565 4.889) 6.282 5.033 ( -0.811 -2.097 0.637) 2.337 5.132 ( 1.461 -2.132 -1.670) 3.077 5.410 ( 1.119 4.135 -3.747) 5.691 5.516 ( -1.816 -5.076 -1.931) 5.727 6.332 ( -1.281 2.273 3.056) 4.018 6.417 ( -1.220 -0.499 1.115) 1.726 6.428 ( 0.105 3.382 -3.706) 5.019 6.463 ( -2.191 1.047 -5.863) 6.346 6.819 ( -1.776 -4.659 -0.032) 4.986 6.891 ( -0.335 -6.222 -2.682) 6.784 7.325 ( -2.183 3.939 16.620) 17.219 7.490 ( 0.200 -2.253 7.176) 7.524 7.525 ( -0.634 -2.279 1.559) 2.833 7.667 ( 0.052 -6.964 -0.432) 6.978 7.916 ( -0.051 1.712 -8.013) 8.194 8.001 ( 0.378 5.112 -0.309) 5.136 8.099 ( 0.455 -1.369 -4.440) 4.669 8.195 ( 1.280 0.501 -3.141) 3.428 8.545 ( -0.259 2.105 4.246) 4.746 8.599 ( -0.709 -1.961 9.080) 9.316 9.017 ( 1.045 -1.149 -6.024) 6.221 9.147 ( 2.079 -5.566 -7.815) 9.817 9.409 ( 1.332 -0.347 -2.848) 3.163 9.523 ( 1.227 -4.749 -7.943) 9.335 10.423 ( -1.924 -1.934 7.360) 7.849 10.506 ( -1.074 -6.298 4.447) 7.784 11.516 ( 0.817 7.457 -1.892) 7.736 11.716 ( 1.220 -3.221 -9.783) 10.372 12.547 ( -1.206 0.112 7.686) 7.781 12.728 ( -0.868 -8.301 4.709) 9.583 13.244 ( -0.101 1.820 -1.110) 2.134 13.407 ( 0.548 -2.180 -4.109) 4.684 13.661 ( 1.494 2.595 -6.103) 6.798 13.702 ( -0.595 6.204 -5.958) 8.622 14.012 ( 2.156 -2.170 0.254) 3.069 14.141 ( -0.190 -7.250 -2.559) 7.691 14.615 ( -2.586 2.599 2.516) 4.447 14.667 ( -1.164 1.628 -4.047) 4.515 15.389 ( 0.180 -1.045 4.993) 5.105 15.480 ( 0.748 -4.478 0.834) 4.616 16.390 ( 0.091 1.725 10.877) 11.014 16.464 ( -1.573 -1.603 11.799) 12.011 16.670 ( 0.907 6.192 -1.271) 6.386 16.923 ( 0.708 -5.722 -5.427) 7.918 24.641 ( 0.230 0.140 0.249) 0.367 24.655 ( 0.423 -0.536 -0.495) 0.843 24.844 ( 0.105 0.781 -0.047) 0.790 24.855 ( 0.231 0.284 -0.693) 0.784 26.179 ( 0.472 0.482 0.962) 1.175 26.258 ( 1.040 -3.306 -1.366) 3.725 26.505 ( -1.433 2.363 4.836) 5.569 26.570 ( -2.013 -0.980 4.078) 4.652 26.887 ( -0.488 1.162 5.728) 5.865 26.981 ( -0.878 -3.651 4.576) 5.920 27.519 ( 0.997 7.166 -13.215) 15.066 27.695 ( 0.206 -1.106 -16.652) 16.690 28.965 ( -1.208 2.266 3.769) 4.560 29.076 ( -0.438 -2.969 -1.905) 3.555 29.599 ( 0.605 2.839 8.074) 8.580 29.742 ( 0.678 -4.156 1.180) 4.373 ======================= Grid point 110 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.486 ( 3.218 -6.805 4.487) 8.763 1.486 ( 3.218 6.805 4.487) 8.763 1.820 ( 1.731 -2.829 -4.085) 5.262 1.820 ( 1.731 2.829 -4.085) 5.262 1.940 ( -4.604 -3.459 11.101) 12.506 1.940 ( -4.604 3.459 11.101) 12.506 2.182 ( 3.673 -3.071 -1.282) 4.957 2.182 ( 3.673 3.071 -1.282) 4.957 2.348 ( 0.430 -5.755 -2.208) 6.179 2.348 ( 0.430 5.755 -2.208) 6.179 2.527 ( -0.220 -6.252 -1.472) 6.427 2.527 ( -0.220 6.252 -1.472) 6.427 2.736 ( -0.450 -3.815 -0.288) 3.852 2.736 ( -0.450 3.815 -0.288) 3.852 2.891 ( -2.394 -0.706 -0.799) 2.621 2.891 ( -2.394 0.706 -0.799) 2.621 2.991 ( 0.568 -3.199 3.961) 5.123 2.991 ( 0.568 3.199 3.961) 5.123 3.170 ( -1.212 -2.539 -3.956) 4.854 3.170 ( -1.212 2.539 -3.956) 4.854 3.350 ( 1.042 -3.648 2.148) 4.360 3.350 ( 1.042 3.648 2.148) 4.360 3.501 ( -1.142 -2.076 -1.872) 3.020 3.501 ( -1.142 2.076 -1.872) 3.020 3.650 ( 3.031 -2.927 2.473) 4.886 3.650 ( 3.031 2.927 2.473) 4.886 3.712 ( -3.318 -1.728 1.839) 4.169 3.712 ( -3.318 1.728 1.839) 4.169 3.906 ( -0.641 -4.247 5.299) 6.821 3.906 ( -0.641 4.247 5.299) 6.821 4.126 ( -1.900 -4.756 -4.654) 6.921 4.126 ( -1.900 4.756 -4.654) 6.921 4.563 ( -0.543 -1.702 -4.795) 5.117 4.563 ( -0.543 1.702 -4.795) 5.117 4.986 ( 2.027 -3.277 3.727) 5.361 4.986 ( 2.027 3.277 3.727) 5.361 5.112 ( 2.739 -2.485 -1.684) 4.064 5.112 ( 2.739 2.485 -1.684) 4.064 5.437 ( -1.058 -2.111 -0.860) 2.513 5.437 ( -1.058 2.111 -0.860) 2.513 6.356 ( -0.711 -2.363 1.492) 2.884 6.356 ( -0.711 2.363 1.492) 2.884 6.471 ( 1.371 -1.057 -6.238) 6.474 6.471 ( 1.371 1.057 -6.238) 6.474 6.774 ( -1.117 -3.587 -0.605) 3.805 6.774 ( -1.117 3.587 -0.605) 3.805 7.420 ( -0.994 -6.237 15.605) 16.834 7.420 ( -0.994 6.237 15.605) 16.834 7.544 ( 0.467 -3.721 -2.018) 4.259 7.544 ( 0.467 3.721 -2.018) 4.259 7.964 ( 0.485 -3.809 -7.887) 8.772 7.964 ( 0.485 3.809 -7.887) 8.772 8.182 ( 0.645 -4.528 1.454) 4.800 8.182 ( 0.645 4.528 1.454) 4.800 8.576 ( -0.922 -0.638 5.880) 5.986 8.576 ( -0.922 0.638 5.880) 5.986 9.047 ( 0.418 -4.437 -7.905) 9.075 9.047 ( 0.418 4.437 -7.905) 9.075 9.447 ( 0.527 -3.030 -5.301) 6.129 9.447 ( 0.527 3.030 -5.301) 6.129 10.409 ( -0.524 -2.424 5.195) 5.757 10.409 ( -0.524 2.424 5.195) 5.757 11.649 ( 0.677 -4.870 -6.022) 7.774 11.649 ( 0.677 4.870 -6.022) 7.774 12.584 ( -0.853 -4.487 7.469) 8.755 12.584 ( -0.853 4.487 7.469) 8.755 13.311 ( 0.419 -5.059 -5.770) 7.685 13.311 ( 0.419 5.059 -5.770) 7.685 13.744 ( 1.210 -0.412 -4.576) 4.751 13.744 ( 1.210 0.412 -4.576) 4.751 14.040 ( -0.586 -1.010 -0.317) 1.210 14.040 ( -0.586 1.010 -0.317) 1.210 14.646 ( 0.325 -3.394 -0.531) 3.451 14.646 ( 0.325 3.394 -0.531) 3.451 15.409 ( -0.365 -2.798 2.466) 3.747 15.409 ( -0.365 2.798 2.466) 3.747 16.433 ( -0.763 -1.585 11.687) 11.818 16.433 ( -0.763 1.585 11.687) 11.818 16.802 ( 0.167 -6.137 -3.789) 7.214 16.802 ( 0.167 6.137 -3.789) 7.214 24.651 ( 0.181 -0.468 -0.060) 0.505 24.651 ( 0.181 0.468 -0.060) 0.505 24.855 ( -0.079 -0.392 -0.498) 0.639 24.855 ( -0.079 0.392 -0.498) 0.639 26.211 ( -0.311 -1.697 0.096) 1.728 26.211 ( -0.311 1.697 0.096) 1.728 26.535 ( 0.083 -1.086 4.103) 4.245 26.535 ( 0.083 1.086 4.103) 4.245 26.919 ( -0.681 -2.081 6.048) 6.432 26.919 ( -0.681 2.081 6.048) 6.432 27.630 ( 1.360 -4.027 -15.893) 16.452 27.630 ( 1.360 4.027 -15.893) 16.452 29.009 ( -0.230 -3.049 1.024) 3.225 29.009 ( -0.230 3.049 1.024) 3.225 29.674 ( -0.236 -3.194 4.333) 5.388 29.674 ( -0.236 3.194 4.333) 5.388 ======================= Grid point 112 (62/80) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( 4.417 -6.463 4.389) 8.974 1.586 ( 4.417 6.463 4.389) 8.974 1.765 ( -5.443 -4.165 1.929) 7.120 1.765 ( -5.443 4.165 1.929) 7.120 1.929 ( 1.635 -0.854 2.869) 3.411 1.929 ( 1.635 0.854 2.869) 3.411 2.226 ( -0.061 -1.100 -2.745) 2.958 2.226 ( -0.061 1.100 -2.745) 2.958 2.363 ( 2.103 -8.465 2.602) 9.102 2.363 ( 2.103 8.465 2.602) 9.102 2.515 ( -2.575 -2.341 0.426) 3.506 2.515 ( -2.575 2.341 0.426) 3.506 2.726 ( 1.891 -3.513 -4.684) 6.153 2.726 ( 1.891 3.513 -4.684) 6.153 2.843 ( -1.810 -1.339 1.691) 2.816 2.843 ( -1.810 1.339 1.691) 2.816 2.972 ( -3.596 -0.237 5.624) 6.680 2.972 ( -3.596 0.237 5.624) 6.680 3.121 ( -2.127 -2.157 -3.895) 4.934 3.121 ( -2.127 2.157 -3.895) 4.934 3.361 ( -3.127 -2.098 0.804) 3.851 3.361 ( -3.127 2.098 0.804) 3.851 3.459 ( 0.599 -3.692 -3.039) 4.820 3.459 ( 0.599 3.692 -3.039) 4.820 3.602 ( -3.028 -3.623 1.066) 4.841 3.602 ( -3.028 3.623 1.066) 4.841 3.738 ( 1.854 -6.664 1.126) 7.008 3.738 ( 1.854 6.664 1.126) 7.008 4.002 ( 7.099 -4.968 4.969) 9.989 4.002 ( 7.099 4.968 4.969) 9.989 4.092 ( -0.695 -3.674 -2.403) 4.445 4.092 ( -0.695 3.674 -2.403) 4.445 4.543 ( -0.492 -1.608 -4.174) 4.500 4.543 ( -0.492 1.608 -4.174) 4.500 5.015 ( -0.034 -3.506 4.423) 5.644 5.015 ( -0.034 3.506 4.423) 5.644 5.156 ( 0.811 -3.286 -1.422) 3.671 5.156 ( 0.811 3.286 -1.422) 3.671 5.432 ( 1.185 -1.249 -2.705) 3.206 5.432 ( 1.185 1.249 -2.705) 3.206 6.362 ( 1.008 -1.903 1.016) 2.381 6.362 ( 1.008 1.903 1.016) 2.381 6.497 ( 1.730 -1.665 -5.574) 6.069 6.497 ( 1.730 1.665 -5.574) 6.069 6.764 ( 0.307 -4.571 0.751) 4.642 6.764 ( 0.307 4.571 0.751) 4.642 7.426 ( -1.346 -6.826 16.173) 17.606 7.426 ( -1.346 6.826 16.173) 17.606 7.552 ( 0.712 -2.592 -3.254) 4.220 7.552 ( 0.712 2.592 -3.254) 4.220 7.966 ( 1.078 -3.596 -7.692) 8.559 7.966 ( 1.078 3.596 -7.692) 8.559 8.183 ( -0.759 -5.344 0.770) 5.453 8.183 ( -0.759 5.344 0.770) 5.453 8.570 ( -0.630 -0.435 5.838) 5.888 8.570 ( -0.630 0.435 5.838) 5.888 9.033 ( -0.253 -4.503 -8.080) 9.254 9.033 ( -0.253 4.503 -8.080) 9.254 9.442 ( -0.029 -3.036 -5.205) 6.026 9.442 ( -0.029 3.036 -5.205) 6.026 10.421 ( 0.593 -2.565 5.267) 5.889 10.421 ( 0.593 2.565 5.267) 5.889 11.645 ( 0.065 -5.087 -6.101) 7.944 11.645 ( 0.065 5.087 -6.101) 7.944 12.586 ( -0.406 -4.009 7.691) 8.683 12.586 ( -0.406 4.009 7.691) 8.683 13.310 ( 0.592 -5.106 -5.668) 7.652 13.310 ( 0.592 5.106 -5.668) 7.652 13.773 ( 2.241 -2.693 -5.571) 6.581 13.773 ( 2.241 2.693 -5.571) 6.581 14.000 ( -2.830 -2.227 0.054) 3.602 14.000 ( -2.830 2.227 0.054) 3.602 14.672 ( 1.850 -4.941 -0.310) 5.285 14.672 ( 1.850 4.941 -0.310) 5.285 15.400 ( -0.816 -2.956 2.479) 3.943 15.400 ( -0.816 2.956 2.479) 3.943 16.437 ( -0.963 -2.257 11.655) 11.910 16.437 ( -0.963 2.257 11.655) 11.910 16.793 ( -0.179 -5.903 -3.921) 7.089 16.793 ( -0.179 5.903 -3.921) 7.089 24.652 ( -0.129 -0.554 -0.248) 0.620 24.652 ( -0.129 0.554 -0.248) 0.620 24.851 ( -0.209 -0.482 -0.345) 0.629 24.851 ( -0.209 0.482 -0.345) 0.629 26.196 ( -0.908 -1.065 0.248) 1.421 26.196 ( -0.908 1.065 0.248) 1.421 26.557 ( 1.001 -1.336 4.132) 4.456 26.557 ( 1.001 1.336 4.132) 4.456 26.918 ( -0.490 -2.015 5.924) 6.277 26.918 ( -0.490 2.015 5.924) 6.277 27.635 ( 1.927 -3.889 -15.899) 16.480 27.635 ( 1.927 3.889 -15.899) 16.480 29.013 ( 0.348 -3.165 1.195) 3.401 29.013 ( 0.348 3.165 1.195) 3.401 29.669 ( -0.952 -2.789 4.122) 5.067 29.669 ( -0.952 2.789 4.122) 5.067 ======================= Grid point 114 (63/80) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.563 ( -6.477 -3.944 10.020) 12.566 1.563 ( -6.477 3.944 10.020) 12.566 1.764 ( 3.822 -0.929 -1.002) 4.059 1.764 ( 3.822 0.929 -1.002) 4.059 1.956 ( 0.073 -2.127 3.128) 3.783 1.956 ( 0.073 2.127 3.128) 3.783 2.159 ( -4.315 -5.347 -2.786) 7.414 2.159 ( -4.315 5.347 -2.786) 7.414 2.434 ( 1.817 -1.700 0.638) 2.569 2.434 ( 1.817 1.700 0.638) 2.569 2.503 ( 3.454 -4.427 7.254) 9.173 2.503 ( 3.454 4.427 7.254) 9.173 2.733 ( -2.649 -4.590 -2.061) 5.686 2.733 ( -2.649 4.590 -2.061) 5.686 2.810 ( -3.248 -1.958 2.875) 4.760 2.810 ( -3.248 1.958 2.875) 4.760 2.936 ( 3.344 -3.206 -1.469) 4.860 2.936 ( 3.344 3.206 -1.469) 4.860 3.076 ( -2.033 -2.461 -3.568) 4.788 3.076 ( -2.033 2.461 -3.568) 4.788 3.280 ( -1.776 -4.441 -1.264) 4.947 3.280 ( -1.776 4.441 -1.264) 4.947 3.462 ( -1.015 -5.272 -3.090) 6.195 3.462 ( -1.015 5.272 -3.090) 6.195 3.629 ( 4.299 -1.819 -1.994) 5.076 3.629 ( 4.299 1.819 -1.994) 5.076 3.748 ( -0.344 -4.607 -1.361) 4.816 3.748 ( -0.344 4.607 -1.361) 4.816 4.076 ( -0.937 -2.824 0.675) 3.051 4.076 ( -0.937 2.824 0.675) 3.051 4.142 ( 4.366 -3.308 3.416) 6.456 4.142 ( 4.366 3.308 3.416) 6.456 4.537 ( 0.864 -1.773 -3.164) 3.729 4.537 ( 0.864 1.773 -3.164) 3.729 5.011 ( -1.059 -4.211 5.374) 6.909 5.011 ( -1.059 4.211 5.374) 6.909 5.126 ( -3.366 -6.361 2.781) 7.716 5.126 ( -3.366 6.361 2.781) 7.716 5.465 ( 2.160 -2.869 -6.049) 7.035 5.465 ( 2.160 2.869 -6.049) 7.035 6.389 ( 1.027 -1.803 1.363) 2.483 6.389 ( 1.027 1.803 1.363) 2.483 6.511 ( 0.573 -1.841 -5.312) 5.651 6.511 ( 0.573 1.841 -5.312) 5.651 6.786 ( 1.188 -3.785 1.907) 4.402 6.786 ( 1.188 3.785 1.906) 4.402 7.425 ( -1.536 -5.831 16.326) 17.404 7.425 ( -1.536 5.831 16.326) 17.404 7.554 ( 0.109 -2.239 -4.586) 5.104 7.554 ( 0.109 2.239 -4.586) 5.104 7.977 ( 1.174 -3.371 -7.384) 8.202 7.977 ( 1.174 3.371 -7.384) 8.202 8.161 ( -1.221 -5.095 0.434) 5.257 8.161 ( -1.221 5.095 0.434) 5.257 8.572 ( -0.273 -0.919 5.819) 5.898 8.572 ( -0.273 0.919 5.819) 5.898 9.017 ( 0.459 -4.118 -8.553) 9.504 9.017 ( 0.459 4.118 -8.553) 9.504 9.432 ( 0.128 -3.247 -5.191) 6.124 9.432 ( 0.128 3.247 -5.191) 6.124 10.442 ( 0.234 -2.238 5.368) 5.820 10.442 ( 0.234 2.238 5.368) 5.820 11.634 ( 0.107 -5.247 -6.141) 8.078 11.634 ( 0.107 5.247 -6.141) 8.078 12.593 ( -0.351 -3.918 7.927) 8.849 12.593 ( -0.351 3.918 7.927) 8.849 13.313 ( 0.649 -4.981 -5.623) 7.540 13.313 ( 0.649 4.981 -5.623) 7.540 13.800 ( 0.901 -2.780 -6.541) 7.164 13.800 ( 0.901 2.780 -6.541) 7.164 13.951 ( -1.142 -0.678 0.166) 1.339 13.951 ( -1.142 0.678 0.166) 1.339 14.703 ( 0.802 -4.343 0.284) 4.426 14.703 ( 0.802 4.343 0.284) 4.426 15.390 ( -0.467 -2.907 2.459) 3.836 15.390 ( -0.467 2.907 2.459) 3.836 16.435 ( -1.256 -2.847 11.495) 11.908 16.435 ( -1.256 2.847 11.495) 11.908 16.785 ( 0.204 -6.246 -3.979) 7.409 16.785 ( 0.204 6.246 -3.979) 7.409 24.647 ( -0.241 -0.469 -0.384) 0.652 24.647 ( -0.241 0.469 -0.384) 0.652 24.848 ( 0.003 -0.448 -0.215) 0.496 24.848 ( 0.003 0.448 -0.215) 0.496 26.183 ( -0.242 -0.626 0.150) 0.687 26.183 ( -0.242 0.626 0.150) 0.687 26.577 ( -0.056 -1.540 4.644) 4.893 26.577 ( -0.056 1.540 4.644) 4.893 26.920 ( -0.319 -2.275 5.615) 6.067 26.920 ( -0.319 2.275 5.615) 6.067 27.645 ( 1.800 -4.413 -16.001) 16.696 27.645 ( 1.800 4.413 -16.001) 16.696 29.023 ( 0.325 -3.090 1.326) 3.378 29.023 ( 0.325 3.090 1.326) 3.378 29.656 ( -0.888 -3.049 3.967) 5.082 29.656 ( -0.888 3.049 3.967) 5.082 ======================= Grid point 116 (64/80) ======================= q-point: (-0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( -3.663 -4.551 9.876) 11.475 1.471 ( -3.663 4.551 9.876) 11.475 1.789 ( -1.304 -1.488 1.607) 2.549 1.789 ( -1.304 1.488 1.607) 2.549 1.982 ( 2.749 -1.751 3.227) 4.587 1.982 ( 2.749 1.751 3.227) 4.587 2.098 ( -1.566 -6.825 -1.927) 7.263 2.098 ( -1.566 6.825 -1.927) 7.263 2.427 ( -2.724 -7.111 1.113) 7.696 2.427 ( -2.724 7.111 1.113) 7.696 2.567 ( -0.999 -7.283 3.276) 8.049 2.567 ( -0.999 7.283 3.276) 8.049 2.678 ( 1.272 -5.356 3.240) 6.387 2.678 ( 1.272 5.356 3.240) 6.387 2.814 ( 2.584 -4.073 2.880) 5.618 2.814 ( 2.584 4.073 2.880) 5.618 2.995 ( 0.184 -0.712 -4.921) 4.975 2.995 ( 0.184 0.712 -4.921) 4.975 3.074 ( 4.512 -1.375 -3.813) 6.065 3.074 ( 4.512 1.375 -3.813) 6.065 3.286 ( 1.481 -2.997 -0.255) 3.353 3.286 ( 1.481 2.997 -0.255) 3.353 3.438 ( 0.038 -4.169 -3.045) 5.163 3.438 ( 0.038 4.169 -3.045) 5.163 3.669 ( -0.836 -4.733 -5.976) 7.669 3.669 ( -0.836 4.733 -5.976) 7.669 3.764 ( 2.507 -1.917 -0.813) 3.259 3.764 ( 2.507 1.917 -0.813) 3.259 4.034 ( -3.537 -3.647 3.312) 6.065 4.034 ( -3.537 3.647 3.312) 6.065 4.189 ( 0.354 -2.512 0.443) 2.575 4.189 ( 0.354 2.512 0.443) 2.575 4.564 ( 1.725 -2.105 -3.038) 4.079 4.564 ( 1.725 2.105 -3.038) 4.079 4.988 ( -2.685 -5.025 7.481) 9.404 4.988 ( -2.685 5.025 7.481) 9.404 5.065 ( -1.786 -6.426 2.552) 7.141 5.065 ( -1.786 6.426 2.552) 7.141 5.482 ( 0.399 -3.237 -5.612) 6.491 5.482 ( 0.399 3.237 -5.612) 6.491 6.397 ( -0.613 -2.269 1.608) 2.848 6.397 ( -0.613 2.269 1.608) 2.848 6.503 ( -0.466 -1.165 -5.540) 5.681 6.503 ( -0.466 1.165 -5.540) 5.681 6.805 ( 0.211 -2.627 1.373) 2.971 6.805 ( 0.211 2.627 1.373) 2.971 7.422 ( -1.739 -4.811 15.902) 16.705 7.422 ( -1.739 4.811 15.902) 16.705 7.545 ( -0.023 -3.523 -4.193) 5.476 7.545 ( -0.023 3.523 -4.193) 5.476 7.982 ( 0.566 -3.524 -7.543) 8.345 7.982 ( 0.566 3.524 -7.543) 8.345 8.145 ( -0.210 -4.185 1.015) 4.312 8.145 ( -0.210 4.185 1.015) 4.312 8.578 ( -0.184 -1.501 5.880) 6.071 8.578 ( -0.184 1.501 5.880) 6.071 9.023 ( 1.585 -3.660 -8.670) 9.544 9.023 ( 1.585 3.660 -8.670) 9.544 9.431 ( 0.712 -3.376 -5.284) 6.311 9.431 ( 0.712 3.376 -5.284) 6.311 10.443 ( -1.089 -1.900 5.355) 5.785 10.443 ( -1.089 1.900 5.355) 5.785 11.632 ( 0.762 -5.137 -6.084) 7.999 11.632 ( 0.762 5.137 -6.084) 7.999 12.597 ( -0.755 -4.345 7.852) 9.006 12.597 ( -0.755 4.345 7.852) 9.006 13.315 ( 0.513 -4.846 -5.687) 7.490 13.315 ( 0.513 4.846 -5.687) 7.490 13.778 ( -1.427 -3.652 -5.363) 6.644 13.778 ( -1.427 3.652 -5.363) 6.644 13.969 ( 2.449 -4.268 -0.958) 5.013 13.969 ( 2.449 4.268 -0.958) 5.013 14.698 ( -1.266 -2.528 0.447) 2.862 14.698 ( -1.266 2.528 0.447) 2.862 15.393 ( 0.262 -2.644 2.446) 3.611 15.393 ( 0.262 2.644 2.446) 3.611 16.430 ( -1.249 -2.718 11.414) 11.799 16.430 ( -1.249 2.718 11.414) 11.799 16.789 ( 0.783 -6.651 -3.873) 7.736 16.789 ( 0.783 6.651 -3.873) 7.736 24.643 ( 0.009 -0.351 -0.272) 0.444 24.643 ( 0.009 0.351 -0.272) 0.444 24.850 ( 0.248 -0.333 -0.294) 0.508 24.850 ( 0.248 0.333 -0.294) 0.508 26.188 ( 0.640 -1.383 -0.036) 1.525 26.188 ( 0.640 1.383 -0.036) 1.525 26.570 ( -1.445 -1.626 4.894) 5.355 26.570 ( -1.445 1.626 4.894) 5.355 26.923 ( -0.451 -2.448 5.555) 6.087 26.923 ( -0.451 2.448 5.555) 6.087 27.647 ( 1.163 -4.839 -16.058) 16.811 27.647 ( 1.163 4.839 -16.058) 16.811 29.026 ( -0.316 -2.903 1.224) 3.166 29.026 ( -0.316 2.903 1.224) 3.166 29.653 ( -0.089 -3.568 4.094) 5.432 29.653 ( -0.089 3.568 4.094) 5.432 ======================= Grid point 118 (65/80) ======================= q-point: (-0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.333 -6.528 7.484) 9.936 1.447 ( -0.333 6.528 7.484) 9.936 1.782 ( 1.151 -2.638 -0.311) 2.895 1.782 ( 1.151 2.638 -0.311) 2.895 2.014 ( -3.225 -2.655 9.484) 10.363 2.014 ( -3.225 2.655 9.484) 10.363 2.100 ( 3.901 -2.261 -3.898) 5.960 2.100 ( 3.901 2.261 -3.898) 5.960 2.360 ( -2.018 -4.528 -1.849) 5.291 2.360 ( -2.018 4.528 -1.849) 5.291 2.554 ( -1.267 -7.143 1.361) 7.381 2.554 ( -1.267 7.143 1.361) 7.381 2.716 ( 1.515 -3.746 1.696) 4.383 2.716 ( 1.515 3.746 1.696) 4.383 2.885 ( 2.971 -4.656 1.611) 5.753 2.885 ( 2.971 4.656 1.611) 5.753 2.987 ( -0.553 -2.520 -0.886) 2.727 2.987 ( -0.553 2.520 -0.886) 2.727 3.159 ( 3.257 -1.147 -4.384) 5.581 3.159 ( 3.257 1.147 -4.384) 5.581 3.322 ( 1.746 -2.813 0.296) 3.324 3.322 ( 1.746 2.813 0.296) 3.324 3.467 ( 2.729 -3.741 1.160) 4.774 3.467 ( 2.729 3.741 1.160) 4.774 3.628 ( -0.876 -3.176 -5.782) 6.655 3.628 ( -0.876 3.176 -5.782) 6.655 3.773 ( -2.385 -1.326 1.290) 3.018 3.773 ( -2.385 1.326 1.290) 3.018 3.962 ( -3.751 -4.737 4.734) 7.676 3.962 ( -3.751 4.737 4.734) 7.676 4.174 ( -1.551 -4.092 -2.831) 5.212 4.174 ( -1.551 4.092 -2.831) 5.212 4.577 ( 0.218 -2.594 -4.710) 5.381 4.577 ( 0.218 2.594 -4.710) 5.381 4.953 ( -0.711 -4.596 6.330) 7.855 4.953 ( -0.711 4.596 6.330) 7.855 5.070 ( 1.331 -4.434 1.016) 4.739 5.070 ( 1.331 4.434 1.016) 4.739 5.465 ( -1.052 -2.560 -3.053) 4.121 5.465 ( -1.052 2.560 -3.053) 4.121 6.377 ( -1.348 -2.336 1.670) 3.172 6.377 ( -1.348 2.336 1.670) 3.172 6.476 ( -0.632 -1.182 -6.173) 6.317 6.476 ( -0.632 1.182 -6.173) 6.317 6.798 ( -0.885 -2.566 -0.126) 2.717 6.798 ( -0.885 2.566 -0.126) 2.717 7.416 ( -1.458 -4.832 15.133) 15.952 7.416 ( -1.458 4.832 15.133) 15.952 7.541 ( 0.196 -4.335 -2.301) 4.912 7.541 ( 0.196 4.335 -2.301) 4.912 7.973 ( 0.119 -3.842 -7.788) 8.685 7.973 ( 0.119 3.842 -7.788) 8.685 8.158 ( 1.068 -3.811 1.649) 4.288 8.158 ( 1.068 3.811 1.649) 4.288 8.582 ( -0.608 -1.426 5.879) 6.080 8.582 ( -0.608 1.426 5.879) 6.080 9.042 ( 1.497 -3.977 -8.260) 9.289 9.042 ( 1.497 3.977 -8.260) 9.289 9.440 ( 1.015 -3.274 -5.355) 6.359 9.440 ( 1.015 3.274 -5.355) 6.359 10.423 ( -1.575 -2.045 5.249) 5.849 10.423 ( -1.575 2.045 5.249) 5.849 11.641 ( 1.103 -4.902 -6.008) 7.832 11.641 ( 1.103 4.902 -6.008) 7.832 12.591 ( -1.075 -4.702 7.564) 8.971 12.591 ( -1.075 4.702 7.564) 8.971 13.313 ( 0.377 -4.900 -5.782) 7.589 13.313 ( 0.377 4.900 -5.782) 7.589 13.745 ( -0.533 -2.642 -4.462) 5.213 13.745 ( -0.533 2.642 -4.462) 5.213 14.022 ( 2.268 -3.928 -0.969) 4.638 14.022 ( 2.268 3.928 -0.969) 4.638 14.664 ( -1.699 -1.810 -0.028) 2.483 14.664 ( -1.699 1.810 -0.028) 2.483 15.405 ( 0.285 -2.605 2.455) 3.591 15.405 ( 0.285 2.605 2.455) 3.591 16.428 ( -0.933 -1.988 11.538) 11.745 16.428 ( -0.933 1.988 11.538) 11.745 16.799 ( 0.752 -6.591 -3.760) 7.625 16.799 ( 0.752 6.591 -3.760) 7.625 24.646 ( 0.273 -0.357 -0.076) 0.456 24.646 ( 0.273 0.357 -0.076) 0.456 24.855 ( 0.200 -0.297 -0.463) 0.585 24.855 ( 0.200 0.297 -0.463) 0.585 26.204 ( 0.788 -2.052 -0.098) 2.200 26.204 ( 0.788 2.052 -0.098) 2.200 26.544 ( -1.582 -1.602 4.594) 5.116 26.544 ( -1.582 1.602 4.594) 5.116 26.922 ( -0.647 -2.343 5.815) 6.302 26.922 ( -0.647 2.343 5.815) 6.302 27.637 ( 0.886 -4.604 -15.991) 16.664 27.637 ( 0.886 4.604 -15.991) 16.664 29.017 ( -0.646 -2.889 1.036) 3.136 29.017 ( -0.646 2.889 1.036) 3.136 29.664 ( 0.302 -3.663 4.321) 5.673 29.664 ( 0.302 3.663 4.321) 5.673 ======================= Grid point 135 (66/80) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.278 ( -0.116 0.000 -10.216) 10.217 1.278 ( 0.116 0.000 10.216) 10.217 1.395 ( 6.331 0.000 -18.047) 19.126 1.395 ( -6.331 0.000 18.047) 19.126 1.869 ( -9.294 0.000 -6.342) 11.252 1.869 ( 9.294 0.000 6.342) 11.252 1.908 ( -4.541 0.000 -3.033) 5.461 1.908 ( 4.541 0.000 3.033) 5.461 2.044 ( -3.459 0.000 -5.566) 6.553 2.044 ( 3.459 0.000 5.566) 6.553 2.407 ( -1.573 0.000 -13.549) 13.640 2.407 ( 1.573 0.000 13.549) 13.640 2.666 ( -1.340 0.000 -0.405) 1.400 2.666 ( 1.340 0.000 0.405) 1.400 2.750 ( -2.294 0.000 -3.018) 3.791 2.750 ( 2.294 0.000 3.018) 3.791 2.911 ( 0.452 0.000 -10.666) 10.675 2.911 ( -0.452 0.000 10.666) 10.675 3.008 ( -5.068 0.000 -3.779) 6.322 3.008 ( 5.068 0.000 3.779) 6.322 3.285 ( -2.115 0.000 -1.584) 2.643 3.285 ( 2.115 0.000 1.584) 2.643 3.450 ( -2.266 0.000 -1.992) 3.017 3.450 ( 2.266 0.000 1.992) 3.017 3.537 ( 2.036 0.000 -7.477) 7.749 3.537 ( -2.036 0.000 7.477) 7.749 3.777 ( -1.268 0.000 -0.626) 1.414 3.777 ( 1.268 0.000 0.626) 1.414 3.807 ( -4.330 0.000 1.427) 4.559 3.807 ( 4.330 0.000 -1.427) 4.559 3.964 ( 0.308 0.000 -1.901) 1.925 3.964 ( -0.308 0.000 1.901) 1.925 4.158 ( -3.239 0.000 -4.941) 5.908 4.158 ( 3.239 0.000 4.941) 5.908 4.347 ( 0.099 0.000 -0.568) 0.576 4.347 ( -0.099 0.000 0.568) 0.576 4.977 ( 3.366 0.000 -7.089) 7.848 4.977 ( -3.366 0.000 7.089) 7.848 5.654 ( -1.826 0.000 -3.978) 4.377 5.654 ( 1.826 0.000 3.978) 4.377 6.193 ( 0.880 0.000 -4.115) 4.209 6.193 ( -0.880 0.000 4.115) 4.209 6.480 ( 5.963 0.000 -4.750) 7.623 6.480 ( -5.963 0.000 4.750) 7.623 7.215 ( 0.607 0.000 -0.918) 1.100 7.215 ( -0.607 0.000 0.918) 1.100 7.422 ( 0.040 0.000 -0.198) 0.202 7.422 ( -0.040 0.000 0.198) 0.202 7.495 ( -1.065 0.000 -6.772) 6.855 7.495 ( 1.065 0.000 6.772) 6.855 7.838 ( 1.784 0.000 -1.901) 2.607 7.838 ( -1.784 0.000 1.901) 2.607 8.026 ( -1.628 0.000 -4.844) 5.111 8.026 ( 1.628 0.000 4.844) 5.111 8.736 ( 0.994 0.000 -11.628) 11.670 8.736 ( -0.994 0.000 11.628) 11.670 9.180 ( -0.621 0.000 -1.986) 2.080 9.180 ( 0.621 0.000 1.986) 2.080 9.730 ( -1.640 0.000 -9.062) 9.210 9.730 ( 1.640 0.000 9.062) 9.210 10.818 ( 1.085 0.000 -9.368) 9.431 10.818 ( -1.085 0.000 9.368) 9.431 11.518 ( 1.868 0.000 -22.570) 22.647 11.518 ( -1.868 0.000 22.570) 22.647 12.767 ( 1.281 0.000 -5.727) 5.868 12.767 ( -1.281 0.000 5.727) 5.868 13.088 ( -0.061 0.000 -4.209) 4.209 13.088 ( 0.061 0.000 4.209) 4.209 13.844 ( 1.125 0.000 -18.166) 18.201 13.844 ( -1.125 0.000 18.166) 18.201 14.189 ( -4.651 0.000 -3.126) 5.604 14.189 ( 4.651 0.000 3.126) 5.604 14.475 ( -5.935 0.000 0.415) 5.950 14.475 ( 5.935 0.000 -0.415) 5.950 15.625 ( 1.003 0.000 -4.204) 4.322 15.625 ( -1.003 0.000 4.204) 4.322 16.472 ( 2.527 0.000 -1.570) 2.975 16.472 ( -2.527 0.000 1.570) 2.975 16.902 ( -1.704 0.000 -7.476) 7.667 16.902 ( 1.704 0.000 7.476) 7.667 24.670 ( 0.231 0.000 -0.687) 0.725 24.670 ( -0.231 0.000 0.687) 0.725 24.806 ( 0.205 0.000 -0.517) 0.556 24.806 ( -0.205 0.000 0.517) 0.556 26.313 ( -2.194 0.000 -1.993) 2.964 26.313 ( 2.194 0.000 1.993) 2.964 26.458 ( -0.802 0.000 -3.682) 3.768 26.458 ( 0.802 0.000 3.682) 3.768 27.060 ( 0.383 0.000 -7.254) 7.264 27.060 ( -0.383 0.000 7.254) 7.264 27.253 ( -0.791 0.000 -5.524) 5.580 27.253 ( 0.791 0.000 5.524) 5.580 29.027 ( 1.618 0.000 -8.440) 8.594 29.027 ( -1.618 0.000 8.440) 8.594 29.898 ( -0.536 0.000 -2.902) 2.951 29.898 ( 0.536 0.000 2.902) 2.951 ======================= Grid point 137 (67/80) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.297 ( -2.870 0.000 1.816) 3.397 1.312 ( 2.046 0.000 2.897) 3.546 1.344 ( 3.242 0.000 11.259) 11.717 1.477 ( 4.635 0.000 -21.150) 21.652 1.670 ( -6.610 0.000 -7.242) 9.805 1.743 ( -9.921 0.000 -4.728) 10.990 1.907 ( -4.377 0.000 -1.868) 4.759 1.948 ( -1.154 0.000 0.294) 1.191 2.021 ( 1.592 0.000 1.974) 2.536 2.092 ( 2.762 0.000 1.277) 3.043 2.416 ( 1.816 0.000 -10.810) 10.962 2.421 ( -6.393 0.000 4.698) 7.934 2.648 ( -1.407 0.000 8.763) 8.875 2.655 ( -1.595 0.000 -1.078) 1.925 2.777 ( 8.210 0.000 0.037) 8.210 2.785 ( 2.201 0.000 0.006) 2.201 2.956 ( 2.886 0.000 15.337) 15.606 2.972 ( 6.019 0.000 -2.684) 6.591 2.999 ( 4.427 0.000 -4.399) 6.241 3.151 ( 5.597 0.000 -1.212) 5.727 3.234 ( -2.258 0.000 1.374) 2.644 3.305 ( -0.724 0.000 -0.055) 0.726 3.406 ( -1.631 0.000 0.161) 1.639 3.492 ( 0.529 0.000 2.671) 2.723 3.523 ( -0.799 0.000 5.790) 5.845 3.591 ( 3.490 0.000 -6.045) 6.980 3.680 ( -7.554 0.000 8.114) 11.086 3.754 ( -0.346 0.000 0.102) 0.361 3.785 ( -0.961 0.000 1.436) 1.728 3.809 ( -3.870 0.000 -4.030) 5.587 3.960 ( -0.223 0.000 1.270) 1.289 3.962 ( -0.027 0.000 -2.380) 2.380 4.143 ( 3.313 0.000 -7.695) 8.378 4.239 ( 3.218 0.000 -1.330) 3.482 4.356 ( 0.711 0.000 2.389) 2.492 4.357 ( 0.742 0.000 0.925) 1.186 4.971 ( 1.290 0.000 7.095) 7.211 5.066 ( 4.894 0.000 -3.522) 6.030 5.597 ( -2.061 0.000 -3.557) 4.111 5.675 ( -0.425 0.000 3.967) 3.990 6.187 ( -0.439 0.000 4.558) 4.579 6.204 ( 0.801 0.000 -4.641) 4.710 6.467 ( 3.863 0.000 5.775) 6.948 6.640 ( 9.002 0.000 -12.518) 15.419 7.203 ( -0.593 0.000 1.979) 2.066 7.214 ( -0.764 0.000 0.515) 0.921 7.424 ( 0.102 0.000 0.866) 0.872 7.426 ( 0.222 0.000 0.418) 0.473 7.463 ( -0.289 0.000 -6.810) 6.816 7.515 ( -0.591 0.000 7.517) 7.540 7.829 ( 0.459 0.000 0.968) 1.071 7.890 ( 2.620 0.000 -1.337) 2.941 7.990 ( -0.069 0.000 -6.921) 6.921 8.063 ( 0.934 0.000 4.322) 4.421 8.762 ( 3.572 0.000 -10.500) 11.090 8.766 ( 1.903 0.000 12.154) 12.302 9.139 ( -3.029 0.000 -2.305) 3.806 9.165 ( -3.113 0.000 4.738) 5.670 9.619 ( -6.053 0.000 -7.799) 9.873 9.697 ( -5.683 0.000 5.730) 8.070 10.798 ( -2.100 0.000 9.014) 9.256 10.806 ( -0.221 0.000 -10.047) 10.049 11.513 ( 1.736 0.000 -22.598) 22.665 11.518 ( -2.204 0.000 22.576) 22.684 12.764 ( -0.000 0.000 5.663) 5.663 12.787 ( 1.318 0.000 -5.577) 5.731 13.087 ( 0.750 0.000 -4.115) 4.183 13.101 ( 0.257 0.000 3.858) 3.867 13.854 ( 2.654 0.000 -16.574) 16.785 13.870 ( -0.117 0.000 17.825) 17.825 14.134 ( -0.325 0.000 -1.284) 1.324 14.323 ( 3.315 0.000 2.702) 4.276 14.370 ( -0.191 0.000 3.827) 3.832 14.585 ( 4.581 0.000 -3.576) 5.811 15.607 ( -1.286 0.000 3.696) 3.914 15.628 ( 0.002 0.000 -4.726) 4.726 16.403 ( -3.812 0.000 2.683) 4.661 16.474 ( -2.356 0.000 -1.981) 3.078 16.850 ( -0.679 0.000 -10.447) 10.469 16.921 ( -1.245 0.000 7.229) 7.335 24.662 ( -0.547 0.000 0.738) 0.918 24.667 ( -0.302 0.000 -0.819) 0.872 24.805 ( 0.030 0.000 0.572) 0.573 24.810 ( 0.230 0.000 -0.519) 0.568 26.306 ( 1.682 0.000 -2.596) 3.094 26.386 ( 3.719 0.000 -2.202) 4.322 26.437 ( -0.466 0.000 -1.212) 1.298 26.480 ( 0.498 0.000 4.751) 4.777 27.060 ( 0.882 0.000 -7.900) 7.949 27.068 ( -0.367 0.000 7.504) 7.512 27.260 ( 2.489 0.000 -6.316) 6.789 27.300 ( 1.865 0.000 9.368) 9.552 29.039 ( 1.136 0.000 8.994) 9.066 29.070 ( 3.519 0.000 -6.736) 7.599 29.828 ( -4.678 0.000 -6.756) 8.217 29.857 ( -4.568 0.000 3.369) 5.676 ======================= Grid point 138 (68/80) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.257 ( 0.101 0.000 10.505) 10.505 1.341 ( -4.479 0.000 -8.152) 9.301 1.413 ( 6.595 0.000 -7.810) 10.222 1.518 ( -0.933 0.000 -0.197) 0.954 1.583 ( -2.543 0.000 2.653) 3.674 1.596 ( -0.641 0.000 -3.428) 3.488 1.847 ( -0.715 0.000 0.974) 1.208 1.887 ( -3.404 0.000 -2.546) 4.251 2.057 ( 4.380 0.000 -3.794) 5.795 2.171 ( 0.803 0.000 -3.209) 3.308 2.253 ( -4.766 0.000 7.043) 8.504 2.352 ( -6.186 0.000 -2.907) 6.835 2.649 ( 0.016 0.000 7.941) 7.941 2.654 ( 1.380 0.000 -7.654) 7.777 2.871 ( 5.757 0.000 -1.506) 5.951 2.930 ( 2.775 0.000 3.604) 4.548 3.036 ( 1.829 0.000 -4.097) 4.486 3.043 ( 0.173 0.000 6.421) 6.423 3.172 ( 9.132 0.000 -1.325) 9.227 3.190 ( 2.375 0.000 2.560) 3.492 3.255 ( 2.205 0.000 1.802) 2.848 3.259 ( -3.167 0.000 0.647) 3.233 3.385 ( -0.630 0.000 -0.232) 0.671 3.417 ( -5.595 0.000 0.189) 5.599 3.570 ( 0.605 0.000 11.708) 11.723 3.580 ( -0.725 0.000 8.278) 8.310 3.611 ( -1.195 0.000 -8.137) 8.224 3.664 ( -6.067 0.000 -8.548) 10.483 3.763 ( 0.487 0.000 1.915) 1.976 3.773 ( -0.306 0.000 -2.744) 2.761 3.959 ( 0.159 0.000 -2.200) 2.206 3.959 ( -0.192 0.000 1.664) 1.675 4.220 ( 3.878 0.000 -2.822) 4.796 4.266 ( -0.389 0.000 -1.819) 1.860 4.374 ( 0.578 0.000 0.986) 1.143 4.376 ( 0.503 0.000 1.217) 1.317 5.037 ( 3.412 0.000 5.311) 6.312 5.103 ( -1.206 0.000 -3.323) 3.535 5.595 ( 2.365 0.000 -2.361) 3.342 5.650 ( -2.579 0.000 2.698) 3.733 6.193 ( 0.107 0.000 5.270) 5.271 6.205 ( 0.115 0.000 -5.251) 5.253 6.615 ( 6.861 0.000 13.691) 15.314 6.724 ( 0.656 0.000 -18.141) 18.152 7.198 ( -0.369 0.000 0.830) 0.908 7.199 ( -0.299 0.000 1.625) 1.652 7.427 ( 0.097 0.000 -1.093) 1.097 7.427 ( -0.034 0.000 1.133) 1.134 7.471 ( 1.878 0.000 -6.122) 6.403 7.501 ( -1.942 0.000 7.331) 7.584 7.853 ( 1.572 0.000 0.777) 1.754 7.891 ( -1.685 0.000 -0.661) 1.810 8.029 ( 3.769 0.000 -6.914) 7.875 8.072 ( -1.175 0.000 4.946) 5.084 8.844 ( 5.512 0.000 -8.847) 10.423 8.852 ( 3.508 0.000 9.989) 10.587 9.052 ( -3.841 0.000 -6.835) 7.840 9.064 ( -6.663 0.000 8.799) 11.037 9.526 ( -0.731 0.000 -4.958) 5.012 9.573 ( -5.463 0.000 2.875) 6.173 10.779 ( -1.215 0.000 9.710) 9.785 10.784 ( 0.145 0.000 -10.247) 10.248 11.510 ( 2.005 0.000 -22.610) 22.699 11.513 ( -2.282 0.000 22.603) 22.718 12.780 ( 0.330 0.000 5.577) 5.587 12.793 ( 0.247 0.000 -5.601) 5.607 13.099 ( 0.927 0.000 -3.691) 3.806 13.107 ( -0.371 0.000 3.493) 3.513 13.877 ( 2.205 0.000 -15.236) 15.395 13.886 ( -1.381 0.000 15.950) 16.010 14.165 ( 3.069 0.000 0.253) 3.079 14.245 ( -4.379 0.000 -1.375) 4.590 14.534 ( 6.805 0.000 10.842) 12.801 14.626 ( -0.170 0.000 -8.197) 8.199 15.595 ( -0.332 0.000 3.726) 3.740 15.609 ( -0.753 0.000 -4.586) 4.647 16.356 ( -0.747 0.000 4.346) 4.410 16.395 ( -3.400 0.000 -4.343) 5.516 16.851 ( 2.316 0.000 -10.645) 10.894 16.890 ( -2.838 0.000 9.101) 9.533 24.655 ( -0.182 0.000 0.874) 0.893 24.658 ( -0.298 0.000 -0.915) 0.962 24.808 ( 0.163 0.000 0.625) 0.646 24.812 ( 0.010 0.000 -0.599) 0.599 26.350 ( 2.431 0.000 -0.878) 2.584 26.392 ( -1.494 0.000 -1.443) 2.077 26.469 ( 2.319 0.000 -2.790) 3.628 26.491 ( -0.488 0.000 4.460) 4.487 27.065 ( 1.025 0.000 -8.354) 8.417 27.070 ( -0.850 0.000 8.214) 8.258 27.314 ( 3.481 0.000 -10.432) 10.998 27.338 ( -0.606 0.000 12.223) 12.238 29.094 ( 2.075 0.000 7.717) 7.992 29.119 ( 1.437 0.000 -5.681) 5.860 29.734 ( -1.424 0.000 -9.902) 10.004 29.759 ( -4.750 0.000 7.110) 8.550 ======================= Grid point 141 (69/80) ======================= q-point: ( 0.00 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 1.377 2.750 -11.910) 12.301 1.303 ( -1.377 2.750 11.910) 12.301 1.450 ( 3.310 5.615 -14.594) 15.983 1.450 ( -3.310 5.615 14.594) 15.983 1.879 ( -5.311 2.784 -4.241) 7.345 1.879 ( 5.311 2.784 4.241) 7.345 1.933 ( 0.899 0.945 -2.593) 2.903 1.933 ( -0.899 0.945 2.593) 2.903 2.137 ( -1.389 7.421 -2.317) 7.897 2.137 ( 1.389 7.421 2.317) 7.897 2.417 ( -2.129 1.898 -12.841) 13.154 2.417 ( 2.129 1.898 12.841) 13.154 2.700 ( -1.176 3.659 -2.992) 4.871 2.700 ( 1.176 3.659 2.992) 4.871 2.836 ( 3.737 3.169 -5.000) 7.001 2.836 ( -3.737 3.169 5.000) 7.001 2.946 ( -1.208 6.297 -2.690) 6.953 2.946 ( 1.208 6.297 2.690) 6.953 3.009 ( -2.815 -0.410 -4.977) 5.732 3.009 ( 2.815 -0.410 4.977) 5.732 3.254 ( -3.336 -0.920 -4.086) 5.354 3.254 ( 3.336 -0.920 4.086) 5.354 3.451 ( 0.412 -0.516 -5.175) 5.217 3.451 ( -0.412 -0.516 5.175) 5.217 3.580 ( 2.015 2.827 -4.768) 5.898 3.580 ( -2.015 2.827 4.768) 5.898 3.698 ( -0.835 -3.864 -1.150) 4.117 3.698 ( 0.835 -3.864 1.150) 4.117 3.868 ( -2.568 3.923 -1.348) 4.879 3.868 ( 2.568 3.923 1.348) 4.879 3.981 ( 0.644 0.668 -1.939) 2.150 3.981 ( -0.644 0.668 1.939) 2.150 4.185 ( -1.861 3.082 -6.442) 7.380 4.185 ( 1.861 3.082 6.442) 7.380 4.448 ( 0.682 9.915 -10.907) 14.756 4.448 ( -0.682 9.915 10.907) 14.756 4.972 ( 3.028 -0.029 -7.021) 7.646 4.972 ( -3.028 -0.029 7.021) 7.646 5.643 ( -0.954 -1.993 -6.715) 7.070 5.643 ( 0.954 -1.993 6.715) 7.070 6.235 ( 0.693 3.884 -2.031) 4.437 6.235 ( -0.693 3.884 2.031) 4.437 6.446 ( 4.927 -2.796 -4.190) 7.046 6.446 ( -4.927 -2.796 4.190) 7.046 7.112 ( 1.543 -8.232 -3.846) 9.216 7.112 ( -1.543 -8.232 3.846) 9.216 7.447 ( 1.220 2.524 -6.217) 6.820 7.447 ( -1.220 2.524 6.217) 6.820 7.571 ( -0.253 4.962 -9.511) 10.730 7.571 ( 0.253 4.962 9.511) 10.730 7.862 ( 1.261 2.325 -4.348) 5.089 7.862 ( -1.261 2.325 4.348) 5.089 8.021 ( -1.595 -0.426 -4.662) 4.946 8.021 ( 1.595 -0.426 4.662) 4.946 8.717 ( 0.970 -1.832 -11.005) 11.199 8.717 ( -0.970 -1.832 11.005) 11.199 9.168 ( -0.485 -1.375 -3.210) 3.525 9.168 ( 0.485 -1.375 3.210) 3.525 9.661 ( -0.663 -6.340 -6.655) 9.216 9.661 ( 0.663 -6.340 6.655) 9.216 10.763 ( 1.205 -5.060 -8.529) 9.990 10.763 ( -1.205 -5.060 8.529) 9.990 11.513 ( 1.796 -0.265 -19.731) 19.814 11.513 ( -1.796 -0.265 19.731) 19.814 12.743 ( 0.572 -1.580 -7.473) 7.659 12.743 ( -0.572 -1.580 7.473) 7.659 13.200 ( 0.386 9.621 -5.137) 10.913 13.200 ( -0.386 9.621 5.137) 10.913 13.736 ( 1.545 -9.646 -16.969) 19.580 13.736 ( -1.545 -9.646 16.969) 19.580 14.175 ( -4.354 -1.276 -2.761) 5.311 14.175 ( 4.354 -1.276 2.761) 5.311 14.499 ( 2.490 2.035 -1.821) 3.695 14.499 ( -2.490 2.035 1.821) 3.695 15.605 ( 0.870 -2.023 -4.225) 4.764 15.605 ( -0.870 -2.023 4.225) 4.764 16.479 ( 1.794 0.814 -2.915) 3.518 16.479 ( -1.794 0.814 2.915) 3.518 16.879 ( -1.154 -2.173 -10.422) 10.708 16.879 ( 1.154 -2.173 10.422) 10.708 24.666 ( 0.257 -0.372 -0.884) 0.993 24.666 ( -0.257 -0.372 0.884) 0.993 24.815 ( 0.206 0.832 -0.478) 0.981 24.815 ( -0.206 0.832 0.478) 0.981 26.293 ( -2.195 -1.722 -2.729) 3.903 26.293 ( 2.195 -1.722 2.729) 3.903 26.487 ( -2.284 2.481 -2.546) 4.226 26.487 ( 2.284 2.481 2.546) 4.226 27.032 ( 0.410 -1.944 -7.751) 8.001 27.032 ( -0.410 -1.944 7.751) 8.001 27.304 ( 0.056 4.045 -9.385) 10.220 27.304 ( -0.056 4.045 9.385) 10.220 29.024 ( 1.412 -0.275 -7.775) 7.907 29.024 ( -1.412 -0.275 7.775) 7.907 29.856 ( -0.634 -3.672 -4.647) 5.957 29.856 ( 0.634 -3.672 4.647) 5.957 ======================= Grid point 143 (70/80) ======================= q-point: ( 0.20 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -1.311 3.365 13.911) 14.372 1.354 ( 5.123 4.754 -9.170) 11.530 1.423 ( 1.708 7.070 8.208) 10.967 1.494 ( 2.916 2.402 -18.701) 19.078 1.757 ( -3.542 7.470 -0.608) 8.290 1.849 ( -7.200 7.451 -5.399) 11.684 1.928 ( -1.489 2.795 -3.318) 4.587 1.952 ( 0.120 0.950 3.294) 3.430 2.105 ( 0.080 6.975 -0.644) 7.005 2.138 ( 0.201 4.495 0.323) 4.511 2.403 ( 0.634 -0.544 -11.529) 11.559 2.451 ( -3.431 3.315 4.916) 6.850 2.617 ( -4.825 0.913 -3.633) 6.108 2.686 ( 0.591 2.084 5.894) 6.279 2.748 ( -3.571 -0.370 6.737) 7.634 2.929 ( -0.058 0.202 -2.160) 2.170 2.979 ( 7.985 5.866 2.501) 10.219 3.002 ( 2.810 3.064 -0.935) 4.262 3.018 ( 3.499 2.921 3.660) 5.846 3.081 ( 2.354 -4.127 0.905) 4.836 3.204 ( -0.368 -1.147 -1.125) 1.648 3.339 ( 3.194 1.912 5.126) 6.335 3.430 ( -0.581 0.242 -0.712) 0.950 3.486 ( 1.212 1.450 -1.315) 2.302 3.545 ( 0.284 2.576 2.088) 3.329 3.619 ( -1.586 -2.096 2.029) 3.321 3.669 ( -1.695 -3.283 1.752) 4.089 3.718 ( -0.344 4.389 0.429) 4.424 3.792 ( -2.289 2.818 2.077) 4.182 3.883 ( -0.805 2.909 1.360) 3.311 3.981 ( -0.235 0.969 1.899) 2.145 3.994 ( 0.068 3.560 -4.032) 5.380 4.145 ( 1.487 1.158 -7.995) 8.214 4.245 ( 1.935 1.810 -0.710) 2.743 4.452 ( 1.375 9.036 -8.101) 12.214 4.465 ( 0.141 10.358 10.941) 15.067 4.968 ( 1.293 0.013 5.904) 6.044 5.052 ( 4.420 -0.839 -4.237) 6.180 5.590 ( -1.617 -1.619 -4.025) 4.630 5.668 ( -0.464 -1.850 4.726) 5.097 6.224 ( -0.488 3.588 2.468) 4.382 6.242 ( 0.345 3.707 -2.242) 4.345 6.439 ( 3.674 -2.400 4.393) 6.209 6.588 ( 7.932 -4.497 -10.631) 14.006 7.089 ( -0.825 -8.353 4.786) 9.662 7.138 ( 0.995 -7.103 -2.733) 7.676 7.427 ( -1.124 2.037 5.802) 6.251 7.458 ( 0.437 2.932 -3.551) 4.626 7.553 ( 0.510 4.963 -9.556) 10.780 7.588 ( -0.630 5.491 9.395) 10.900 7.846 ( -0.091 1.773 1.913) 2.610 7.907 ( 1.918 1.581 -2.012) 3.198 7.985 ( 0.104 -0.377 -6.712) 6.724 8.058 ( 0.906 -0.539 4.043) 4.178 8.717 ( 1.549 -3.112 0.575) 3.524 8.766 ( 3.133 -1.292 0.928) 3.514 9.126 ( -2.884 -1.259 -3.612) 4.790 9.149 ( -3.398 -1.741 5.641) 6.811 9.579 ( -4.740 -3.951 -5.505) 8.269 9.628 ( -4.347 -5.961 3.102) 8.003 10.742 ( -1.150 -4.722 4.203) 6.425 10.770 ( 0.046 -4.034 -4.601) 6.119 11.510 ( -0.721 -0.293 5.381) 5.437 11.512 ( 0.249 -0.243 -5.185) 5.196 12.746 ( 0.805 -1.489 -1.205) 2.078 12.761 ( 0.900 -1.563 1.239) 2.188 13.183 ( -0.331 8.654 -0.108) 8.661 13.216 ( 0.193 9.823 -0.410) 9.834 13.717 ( 0.067 -10.508 0.848) 10.542 13.765 ( 0.699 -10.417 -0.882) 10.478 14.132 ( 0.492 -1.072 -1.868) 2.209 14.319 ( 5.856 -3.675 5.707) 8.965 14.384 ( -2.847 4.401 2.618) 5.859 14.609 ( 4.405 1.840 -3.989) 6.221 15.587 ( -1.435 -1.976 3.771) 4.493 15.604 ( -0.258 -2.405 -4.633) 5.226 16.422 ( -3.214 1.906 3.192) 4.914 16.480 ( -1.848 0.736 -3.073) 3.660 16.834 ( -0.250 -1.547 -11.095) 11.205 16.901 ( -1.069 -1.976 8.872) 9.152 24.657 ( -0.570 -0.404 0.772) 1.041 24.663 ( -0.301 -0.343 -0.875) 0.987 24.814 ( -0.035 0.759 0.603) 0.970 24.819 ( 0.166 0.777 -0.517) 0.948 26.261 ( 0.445 -2.783 -1.808) 3.348 26.367 ( 1.444 -3.882 1.308) 4.343 26.453 ( 1.186 3.908 -3.345) 5.279 26.536 ( 1.553 3.351 2.716) 4.584 27.030 ( 0.764 -2.010 -5.918) 6.297 27.041 ( -0.146 -2.004 6.087) 6.410 27.309 ( 2.113 3.899 -7.589) 8.790 27.341 ( 1.221 3.295 9.662) 10.281 29.034 ( 0.936 -0.403 8.123) 8.186 29.060 ( 3.016 -0.875 -6.359) 7.092 29.793 ( -3.718 -2.850 -6.751) 8.217 29.830 ( -3.686 -2.576 4.009) 6.024 ======================= Grid point 144 (71/80) ======================= q-point: ( 0.40 0.12 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.775 5.839 9.885) 11.507 1.398 ( -2.946 5.892 -8.499) 10.753 1.504 ( 6.915 7.085 -4.152) 10.736 1.577 ( 5.601 5.202 -0.009) 7.644 1.671 ( -6.239 8.966 -4.538) 11.828 1.706 ( -3.492 8.317 0.994) 9.075 1.905 ( -0.017 5.572 3.925) 6.816 1.938 ( -1.399 4.585 -4.043) 6.271 2.117 ( 3.020 6.014 -2.203) 7.081 2.199 ( 4.587 1.939 -2.520) 5.581 2.266 ( -8.315 2.515 3.490) 9.362 2.354 ( -7.019 0.313 -1.891) 7.276 2.599 ( 4.167 -1.960 -7.970) 9.205 2.676 ( -3.934 -0.176 8.671) 9.523 2.789 ( 5.487 -3.129 3.933) 7.441 2.902 ( -3.513 -3.683 -2.483) 5.663 3.019 ( 0.433 -1.731 -4.197) 4.560 3.025 ( -0.991 -1.827 5.076) 5.485 3.172 ( 6.004 -0.455 -1.335) 6.167 3.179 ( 5.034 1.669 2.937) 6.063 3.241 ( 4.173 -1.332 0.715) 4.438 3.349 ( -3.572 -0.604 2.150) 4.212 3.443 ( 2.142 5.632 -0.005) 6.026 3.484 ( -1.108 5.627 -1.700) 5.982 3.550 ( -2.781 -2.349 7.376) 8.225 3.571 ( -0.836 -2.132 -0.568) 2.360 3.630 ( -0.684 5.051 1.531) 5.322 3.669 ( -2.555 3.518 -1.240) 4.522 3.811 ( 1.466 4.913 2.944) 5.912 3.847 ( -1.639 6.848 -4.758) 8.498 3.977 ( -0.342 0.471 2.361) 2.432 3.980 ( -0.224 2.063 -3.026) 3.669 4.202 ( 3.765 -0.460 -3.563) 5.204 4.252 ( -1.047 0.134 -0.748) 1.294 4.472 ( 1.628 9.178 -6.839) 11.561 4.482 ( -0.555 9.780 8.721) 13.115 5.028 ( 3.158 -0.408 3.909) 5.042 5.086 ( -0.925 -1.089 -2.912) 3.244 5.591 ( 2.394 -1.344 -3.931) 4.795 5.643 ( -2.618 -1.704 4.323) 5.333 6.227 ( 0.219 3.389 2.951) 4.499 6.239 ( -0.197 3.430 -2.880) 4.483 6.570 ( 6.050 -4.012 10.494) 12.760 6.662 ( 0.546 -5.414 -14.308) 15.308 7.102 ( 1.134 -7.158 4.820) 8.703 7.135 ( -0.822 -6.310 -3.083) 7.070 7.431 ( 0.444 2.063 5.339) 5.741 7.452 ( -0.389 2.643 -4.163) 4.947 7.557 ( 1.612 5.172 -10.273) 11.614 7.577 ( -1.976 5.611 10.551) 12.113 7.861 ( 1.128 0.934 1.856) 2.364 7.895 ( -1.666 0.443 -1.945) 2.599 8.027 ( 3.544 -0.176 -6.520) 7.423 8.066 ( -1.078 -0.566 4.811) 4.963 8.786 ( 4.667 -4.472 -0.191) 6.467 8.831 ( 1.814 -3.082 1.125) 3.749 9.045 ( -3.327 -0.729 -5.305) 6.304 9.056 ( -5.171 -0.743 6.845) 8.611 9.506 ( -0.685 -2.134 -4.026) 4.608 9.537 ( -3.897 -3.277 2.161) 5.532 10.738 ( -0.004 -3.708 4.665) 5.959 10.754 ( -0.540 -3.281 -4.904) 5.925 11.506 ( -0.127 -0.267 0.496) 0.577 11.507 ( -0.155 -0.296 -0.394) 0.517 12.764 ( 0.917 -1.333 -1.034) 1.920 12.773 ( -0.067 -1.344 1.044) 1.703 13.188 ( 0.736 8.250 0.150) 8.284 13.207 ( -0.809 8.916 -0.492) 8.966 13.735 ( 1.201 -11.282 0.772) 11.372 13.760 ( -0.889 -11.182 -0.660) 11.236 14.173 ( 3.498 -0.887 -2.628) 4.464 14.256 ( -4.921 -0.820 2.853) 5.747 14.535 ( 7.557 1.051 8.115) 11.138 14.641 ( -0.977 1.292 -6.677) 6.871 15.570 ( -0.573 -2.302 3.791) 4.472 15.582 ( -0.754 -2.580 -4.475) 5.220 16.384 ( -0.694 2.640 4.377) 5.158 16.415 ( -2.668 1.967 -4.610) 5.678 16.839 ( 2.355 -1.262 -10.757) 11.084 16.876 ( -2.705 -1.467 9.709) 10.185 24.650 ( -0.164 -0.405 0.814) 0.924 24.654 ( -0.334 -0.369 -0.885) 1.016 24.816 ( 0.121 0.664 0.700) 0.973 24.819 ( -0.024 0.673 -0.644) 0.932 26.291 ( 2.367 -3.856 -1.418) 4.741 26.341 ( -2.518 -4.090 1.082) 4.923 26.514 ( 3.342 3.663 -3.490) 6.063 26.551 ( -0.777 3.716 3.216) 4.976 27.038 ( 0.897 -2.020 -5.420) 5.853 27.044 ( -0.586 -2.005 5.504) 5.887 27.350 ( 2.914 2.973 -10.369) 11.173 27.370 ( -0.714 2.607 11.667) 11.976 29.080 ( 1.612 -1.203 7.235) 7.510 29.100 ( 1.260 -1.628 -5.755) 6.112 29.722 ( -0.794 -1.043 -7.984) 8.091 29.748 ( -4.104 -1.031 5.874) 7.239 ======================= Grid point 147 (72/80) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.384 ( 1.868 5.130 -11.707) 12.917 1.384 ( -1.868 5.130 11.707) 12.917 1.606 ( 0.633 9.031 -8.115) 12.158 1.606 ( -0.633 9.031 8.115) 12.158 1.954 ( 0.945 2.187 -4.985) 5.525 1.954 ( -0.945 2.187 4.985) 5.525 1.980 ( -2.147 6.302 -4.710) 8.155 1.980 ( 2.147 6.302 4.710) 8.155 2.234 ( 2.235 1.655 -4.620) 5.392 2.234 ( -2.235 1.655 4.620) 5.392 2.513 ( -3.924 6.576 -8.467) 11.416 2.513 ( 3.924 6.576 8.467) 11.416 2.755 ( -2.633 0.900 -5.236) 5.930 2.755 ( 2.633 0.900 5.236) 5.930 2.868 ( 3.574 1.278 -4.002) 5.516 2.868 ( -3.574 1.278 4.002) 5.516 2.980 ( -2.354 -1.464 -3.770) 4.680 2.980 ( 2.354 -1.464 3.770) 4.680 3.087 ( 0.559 4.380 -3.361) 5.549 3.087 ( -0.559 4.380 3.361) 5.549 3.293 ( -5.721 4.798 -3.664) 8.317 3.293 ( 5.721 4.798 3.664) 8.317 3.467 ( 1.348 1.480 -6.052) 6.375 3.467 ( -1.348 1.480 6.052) 6.375 3.571 ( 1.304 -0.685 -3.644) 3.930 3.571 ( -1.304 -0.685 3.644) 3.930 3.699 ( -0.359 1.520 -1.398) 2.097 3.699 ( 0.359 1.520 1.398) 2.097 3.912 ( 0.623 0.955 -5.532) 5.648 3.912 ( -0.623 0.955 5.532) 5.648 4.032 ( 1.237 4.416 -1.806) 4.929 4.032 ( -1.237 4.416 1.806) 4.929 4.271 ( -2.449 5.507 -5.716) 8.306 4.271 ( 2.449 5.507 5.716) 8.306 4.715 ( 0.233 15.725 -12.810) 20.284 4.715 ( -0.233 15.725 12.810) 20.284 4.989 ( 2.302 1.822 -5.564) 6.291 4.989 ( -2.302 1.822 5.564) 6.291 5.555 ( -1.166 -6.442 -7.066) 9.632 5.555 ( 1.166 -6.442 7.066) 9.632 6.321 ( 0.315 3.996 -1.065) 4.148 6.321 ( -0.315 3.996 1.065) 4.148 6.399 ( 2.146 -1.387 -2.661) 3.689 6.399 ( -2.146 -1.387 2.661) 3.689 6.942 ( 1.614 -8.216 -4.271) 9.399 6.942 ( -1.614 -8.216 4.271) 9.399 7.501 ( 1.385 2.300 -7.385) 7.858 7.501 ( -1.385 2.300 7.385) 7.858 7.640 ( 0.225 1.921 -11.672) 11.832 7.640 ( -0.225 1.921 11.672) 11.832 7.901 ( -0.605 -0.084 -5.144) 5.180 7.901 ( 0.605 -0.084 5.144) 5.180 8.037 ( 1.858 3.461 -2.465) 4.637 8.037 ( -1.858 3.461 2.465) 4.637 8.672 ( 0.642 -2.308 -8.223) 8.565 8.672 ( -0.642 -2.308 8.223) 8.565 9.119 ( 0.156 -3.767 -5.414) 6.597 9.119 ( -0.156 -3.767 5.414) 6.597 9.519 ( 0.159 -6.984 -3.850) 7.976 9.519 ( -0.159 -6.984 3.850) 7.976 10.640 ( 1.073 -6.803 -6.228) 9.285 10.640 ( -1.073 -6.803 6.228) 9.285 11.520 ( 1.367 1.176 -12.933) 13.058 11.520 ( -1.367 1.176 12.933) 13.058 12.717 ( 0.023 -1.190 -8.101) 8.188 12.717 ( -0.023 -1.190 8.101) 8.188 13.391 ( -0.172 5.933 -4.725) 7.587 13.391 ( 0.172 5.933 4.725) 7.587 13.537 ( 1.705 -6.473 -14.563) 16.028 13.537 ( -1.705 -6.473 14.563) 16.028 14.136 ( -3.778 -2.687 -1.854) 4.993 14.136 ( 3.778 -2.687 1.854) 4.993 14.548 ( 5.157 2.886 -3.726) 6.987 14.548 ( -5.157 2.886 3.726) 6.987 15.546 ( 0.563 -3.730 -3.906) 5.430 15.546 ( -0.563 -3.730 3.906) 5.430 16.508 ( 1.503 2.121 -4.376) 5.090 16.508 ( -1.503 2.121 4.376) 5.090 16.825 ( -0.422 -3.113 -12.172) 12.571 16.825 ( 0.422 -3.113 12.172) 12.571 24.658 ( 0.246 -0.366 -0.883) 0.987 24.658 ( -0.246 -0.366 0.883) 0.987 24.833 ( 0.220 0.822 -0.612) 1.048 24.833 ( -0.220 0.822 0.612) 1.048 26.255 ( -1.429 -1.928 -2.822) 3.704 26.255 ( 1.429 -1.928 2.822) 3.704 26.537 ( -1.957 2.236 -1.964) 3.562 26.537 ( 1.957 2.236 1.964) 3.562 27.007 ( 0.386 -0.384 -6.702) 6.724 27.007 ( -0.386 -0.384 6.702) 6.724 27.379 ( 0.416 3.011 -9.914) 10.370 27.379 ( -0.416 3.011 9.914) 10.370 29.019 ( 0.928 -0.151 -5.884) 5.959 29.019 ( -0.928 -0.151 5.884) 5.959 29.781 ( -0.442 -3.348 -5.133) 6.144 29.781 ( 0.442 -3.348 5.133) 6.144 ======================= Grid point 149 (73/80) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.427 ( 2.760 6.161 8.705) 11.016 1.459 ( 7.015 4.701 -9.879) 12.996 1.573 ( 0.264 7.600 -3.193) 8.248 1.620 ( -0.673 9.502 -0.453) 9.536 1.870 ( -2.660 2.852 0.747) 3.971 1.960 ( 0.619 4.518 -2.399) 5.153 1.998 ( 0.922 4.238 -1.346) 4.541 2.055 ( 1.018 8.681 2.505) 9.093 2.190 ( -1.522 1.482 2.958) 3.642 2.267 ( 1.206 5.453 -3.796) 6.752 2.422 ( -2.353 3.568 -10.745) 11.563 2.578 ( -1.217 8.197 2.492) 8.654 2.642 ( -5.201 -0.290 -1.772) 5.502 2.734 ( -3.685 3.240 -1.450) 5.117 2.767 ( -5.473 2.443 8.954) 10.775 2.898 ( -0.653 -1.255 -3.392) 3.675 2.967 ( 1.779 -2.583 0.332) 3.154 3.004 ( -1.139 -1.801 2.963) 3.650 3.096 ( 1.031 1.750 4.375) 4.823 3.123 ( 3.114 2.697 0.319) 4.132 3.198 ( -1.892 2.004 -1.285) 3.041 3.361 ( -0.555 0.282 0.494) 0.795 3.465 ( -1.134 -2.884 4.861) 5.765 3.517 ( -0.361 1.407 0.057) 1.453 3.533 ( 2.138 5.187 3.127) 6.423 3.600 ( 2.166 1.078 -0.871) 2.571 3.676 ( 1.267 -2.269 -0.553) 2.657 3.808 ( 2.385 6.264 -2.449) 7.136 3.862 ( -0.601 0.451 -1.351) 1.546 3.909 ( 0.625 3.017 5.071) 5.933 4.014 ( -1.065 3.633 1.693) 4.147 4.079 ( 1.582 4.126 -1.652) 4.718 4.225 ( -0.010 6.859 -5.903) 9.049 4.328 ( 1.276 5.633 3.861) 6.947 4.702 ( 1.156 15.583 -12.419) 19.960 4.735 ( -0.376 15.842 11.826) 19.773 4.981 ( 1.236 1.357 2.720) 3.282 5.053 ( 3.419 1.031 -3.889) 5.280 5.512 ( -0.808 -5.818 -6.088) 8.459 5.581 ( -0.439 -6.472 6.712) 9.334 6.307 ( -0.271 3.852 0.651) 3.916 6.330 ( 0.091 4.474 -0.023) 4.475 6.395 ( 2.675 -1.413 1.282) 3.285 6.501 ( 5.475 -3.574 -5.974) 8.857 6.923 ( -0.121 -7.720 5.040) 9.220 6.982 ( 1.807 -7.977 -2.300) 8.496 7.479 ( -1.098 2.550 5.710) 6.349 7.517 ( 0.551 2.184 -3.583) 4.232 7.621 ( 0.383 1.952 -7.607) 7.863 7.668 ( 0.290 1.991 5.845) 6.182 7.881 ( -0.041 0.172 -3.650) 3.655 7.928 ( -0.041 -0.644 3.039) 3.106 8.005 ( -0.373 3.629 0.915) 3.761 8.063 ( 0.892 2.418 -2.506) 3.595 8.656 ( 0.437 -2.538 0.321) 2.595 8.718 ( 2.229 -3.158 0.713) 3.930 9.082 ( -2.745 -3.532 -2.609) 5.179 9.095 ( -2.944 -3.493 4.032) 6.093 9.480 ( -2.222 -5.177 -2.280) 6.078 9.502 ( -2.007 -6.117 0.628) 6.468 10.630 ( -0.156 -6.099 3.490) 7.029 10.660 ( 0.981 -6.509 -3.462) 7.438 11.514 ( -1.520 1.031 13.066) 13.194 11.520 ( 0.892 1.143 -12.879) 12.960 12.716 ( 1.301 -1.459 -7.786) 8.027 12.738 ( 0.304 -1.146 8.157) 8.242 13.371 ( -0.170 7.910 -1.689) 8.090 13.417 ( 0.639 5.875 1.342) 6.060 13.513 ( -1.658 -5.778 5.832) 8.375 13.540 ( 0.139 -9.023 -7.223) 11.559 14.085 ( -0.282 -3.286 -1.147) 3.492 14.219 ( 1.364 -5.899 3.069) 6.788 14.492 ( 0.723 5.847 4.224) 7.249 14.643 ( 3.971 1.538 -4.093) 5.907 15.531 ( -1.413 -3.612 3.139) 4.990 15.540 ( -0.542 -3.753 -3.546) 5.192 16.475 ( -2.103 3.281 4.333) 5.828 16.508 ( -0.854 2.117 -4.896) 5.402 16.794 ( 0.215 -2.439 -10.323) 10.609 16.846 ( -0.755 -3.373 9.693) 10.291 24.649 ( -0.529 -0.310 0.570) 0.838 24.656 ( -0.281 -0.342 -0.787) 0.903 24.830 ( -0.144 0.792 0.706) 1.071 24.835 ( 0.066 0.753 -0.533) 0.924 26.217 ( -0.603 -1.618 -1.222) 2.115 26.290 ( -0.085 -3.588 1.541) 3.905 26.525 ( 1.735 3.059 -2.461) 4.292 26.589 ( 2.020 1.787 1.342) 3.013 27.005 ( 0.532 -0.421 -5.366) 5.409 27.012 ( -0.337 -0.644 5.769) 5.814 27.381 ( 1.533 2.967 -7.556) 8.261 27.401 ( 0.492 2.378 8.529) 8.868 29.027 ( 0.598 -0.274 5.783) 5.820 29.042 ( 1.963 -0.821 -4.873) 5.318 29.740 ( -2.063 -2.173 -5.282) 6.073 29.772 ( -2.122 -2.782 3.842) 5.197 ======================= Grid point 150 (74/80) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 1.258 8.059 6.972) 10.731 1.538 ( -3.436 7.066 -9.618) 12.419 1.638 ( 10.542 5.630 -2.739) 12.261 1.693 ( 7.422 5.487 0.600) 9.250 1.810 ( -4.971 2.677 1.935) 5.968 1.865 ( -8.557 7.838 0.041) 11.604 2.044 ( 2.757 5.582 -0.297) 6.233 2.069 ( 0.508 8.866 0.454) 8.892 2.229 ( 4.804 3.077 -0.881) 5.773 2.279 ( 1.958 9.347 -0.694) 9.575 2.342 ( -4.958 1.488 -3.597) 6.304 2.410 ( -9.737 7.908 -1.394) 12.621 2.612 ( 2.134 3.260 -7.192) 8.180 2.673 ( -4.270 1.940 8.251) 9.491 2.769 ( 3.469 -0.005 5.011) 6.094 2.851 ( -3.112 -1.486 -2.985) 4.561 2.975 ( -0.047 -2.485 -2.284) 3.376 2.986 ( -0.963 -2.266 3.016) 3.894 3.130 ( 1.590 -3.598 0.241) 3.941 3.153 ( -0.370 -3.203 0.511) 3.265 3.252 ( 4.529 0.781 3.666) 5.879 3.321 ( -2.281 -0.108 -1.567) 2.770 3.432 ( -0.931 -4.746 3.457) 5.945 3.475 ( -2.692 -1.762 -0.984) 3.365 3.601 ( 1.840 5.693 2.362) 6.432 3.628 ( 0.012 2.686 -1.178) 2.933 3.716 ( 2.370 -0.031 -0.806) 2.503 3.762 ( -2.514 3.926 0.381) 4.677 3.905 ( 3.133 3.855 -0.558) 4.998 3.967 ( -2.557 1.691 1.727) 3.519 3.999 ( 3.889 7.461 2.597) 8.806 4.070 ( -1.930 5.967 -3.342) 7.106 4.259 ( 3.433 6.412 -2.861) 7.815 4.321 ( -2.308 6.481 1.623) 7.069 4.717 ( 2.283 15.144 -12.014) 19.465 4.738 ( -1.597 15.371 12.358) 19.787 5.033 ( 2.914 0.904 0.652) 3.120 5.079 ( -0.740 0.524 -1.270) 1.561 5.518 ( 2.424 -5.686 -7.086) 9.403 5.562 ( -2.518 -6.103 7.270) 9.821 6.312 ( 0.551 4.414 0.192) 4.452 6.325 ( -0.559 4.585 -0.131) 4.621 6.486 ( 4.538 -3.689 4.028) 7.101 6.551 ( -0.025 -4.909 -6.450) 8.105 6.955 ( 1.914 -7.068 4.589) 8.642 6.992 ( -0.522 -7.358 -2.907) 7.928 7.485 ( 0.565 2.535 5.377) 5.971 7.509 ( -0.604 2.295 -4.048) 4.692 7.630 ( 1.862 1.960 -7.886) 8.337 7.661 ( -2.003 2.094 7.024) 7.598 7.886 ( 0.956 0.531 -3.066) 3.255 7.907 ( -1.595 0.407 2.579) 3.060 8.033 ( 2.003 1.520 0.293) 2.531 8.063 ( -0.613 1.252 -1.354) 1.943 8.694 ( 3.003 -4.056 -0.489) 5.071 8.743 ( -0.718 -4.974 1.019) 5.128 9.019 ( -2.068 -2.054 1.754) 3.402 9.033 ( -2.643 -1.942 -0.768) 3.368 9.446 ( -0.307 -3.491 -2.653) 4.396 9.459 ( -1.826 -4.184 1.610) 4.841 10.644 ( 0.686 -5.425 3.477) 6.480 10.662 ( -0.202 -5.631 -3.471) 6.618 11.509 ( -1.221 0.896 13.249) 13.336 11.513 ( 0.831 0.977 -13.152) 13.214 12.735 ( 1.722 -1.515 -7.673) 8.009 12.749 ( -0.804 -1.320 7.927) 8.077 13.380 ( 1.289 9.293 -1.375) 9.482 13.410 ( -1.415 9.222 1.053) 9.389 13.506 ( -0.008 -9.418 5.096) 10.708 13.523 ( -0.482 -10.318 -5.719) 11.807 14.114 ( 3.008 -4.630 -2.431) 6.033 14.184 ( -3.834 -5.776 3.323) 7.687 14.588 ( 5.459 3.691 5.379) 8.507 14.671 ( -0.928 1.597 -5.076) 5.401 15.511 ( -0.752 -3.487 3.407) 4.933 15.518 ( -0.650 -3.586 -3.702) 5.195 16.452 ( -0.653 4.041 4.859) 6.354 16.470 ( -1.299 3.414 -5.323) 6.456 16.801 ( 2.092 -2.495 -9.749) 10.279 16.831 ( -2.214 -2.970 9.489) 10.187 24.643 ( -0.125 -0.267 0.554) 0.628 24.647 ( -0.356 -0.288 -0.695) 0.832 24.830 ( 0.060 0.699 0.695) 0.987 24.833 ( -0.091 0.676 -0.586) 0.899 26.226 ( 1.494 -2.567 -1.205) 3.205 26.264 ( -2.116 -3.459 1.311) 4.261 26.577 ( 2.793 2.415 -2.240) 4.319 26.610 ( -0.490 1.939 1.670) 2.605 27.009 ( 0.712 -0.679 -4.943) 5.040 27.013 ( -0.562 -0.804 5.179) 5.271 27.406 ( 1.995 2.260 -8.994) 9.486 27.418 ( -0.696 1.890 9.601) 9.810 29.056 ( 0.840 -1.088 5.458) 5.628 29.066 ( 0.908 -1.522 -4.793) 5.110 29.702 ( -0.066 -0.749 -5.103) 5.158 29.724 ( -2.654 -1.215 4.109) 5.040 ======================= Grid point 153 (75/80) ======================= q-point: ( 0.00 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.492 ( 0.766 5.192 -8.121) 9.669 1.492 ( -0.766 5.192 8.121) 9.669 1.740 ( -0.448 3.167 -3.834) 4.993 1.740 ( 0.448 3.167 3.834) 4.993 2.015 ( 2.628 4.171 -5.596) 7.458 2.015 ( -2.628 4.171 5.596) 7.458 2.121 ( -4.616 6.016 -3.494) 8.349 2.121 ( 4.616 6.016 3.494) 8.349 2.249 ( 1.886 2.014 -7.259) 7.765 2.249 ( -1.886 2.014 7.259) 7.765 2.573 ( -3.572 -1.930 -6.964) 8.061 2.573 ( 3.572 -1.930 6.964) 8.061 2.759 ( -3.121 -1.570 -3.734) 5.114 2.759 ( 3.121 -1.570 3.734) 5.114 2.856 ( 0.270 0.813 -0.854) 1.209 2.856 ( -0.270 0.813 0.854) 1.209 3.004 ( -0.947 2.614 -1.903) 3.370 3.004 ( 0.947 2.614 1.903) 3.370 3.131 ( 1.022 0.616 -2.456) 2.730 3.131 ( -1.022 0.616 2.456) 2.730 3.376 ( -1.047 2.359 -4.469) 5.161 3.376 ( 1.047 2.359 4.469) 5.161 3.458 ( -3.990 -1.230 -2.621) 4.930 3.458 ( 3.990 -1.230 2.621) 4.930 3.638 ( 0.158 5.607 -2.940) 6.333 3.638 ( -0.158 5.607 2.940) 6.333 3.710 ( -7.664 0.134 -1.455) 7.802 3.710 ( 7.664 0.134 1.455) 7.802 3.952 ( 0.551 2.688 -4.452) 5.230 3.952 ( -0.551 2.688 4.452) 5.230 4.077 ( -1.099 -0.540 -5.141) 5.284 4.077 ( 1.099 -0.540 5.141) 5.284 4.412 ( -1.011 7.959 -2.873) 8.522 4.412 ( 1.011 7.959 2.873) 8.522 4.968 ( -0.592 6.556 -4.221) 7.820 4.968 ( 0.592 6.556 4.221) 7.820 5.058 ( -0.127 5.345 -5.027) 7.338 5.058 ( 0.127 5.345 5.027) 7.338 5.436 ( -1.010 -3.603 -3.020) 4.808 5.436 ( 1.010 -3.603 3.020) 4.808 6.366 ( 2.008 0.919 -2.806) 3.571 6.366 ( -2.008 0.919 2.806) 3.571 6.399 ( 0.321 0.540 -0.478) 0.789 6.399 ( -0.321 0.540 0.478) 0.789 6.810 ( 1.327 -4.580 -3.399) 5.855 6.810 ( -1.327 -4.580 3.399) 5.855 7.517 ( 0.411 -0.787 -3.144) 3.267 7.517 ( -0.411 -0.787 3.144) 3.267 7.664 ( 1.172 1.067 -13.422) 13.516 7.664 ( -1.172 1.067 13.422) 13.516 7.853 ( 0.044 -3.548 -9.639) 10.271 7.853 ( -0.044 -3.548 9.639) 10.271 8.140 ( 1.468 5.137 -4.893) 7.245 8.140 ( -1.468 5.137 4.893) 7.245 8.646 ( -0.068 0.182 -3.631) 3.636 8.646 ( 0.068 0.182 3.631) 3.636 9.020 ( 0.599 -5.598 -5.612) 7.949 9.020 ( -0.599 -5.598 5.612) 7.949 9.414 ( 0.103 -3.327 -2.706) 4.290 9.414 ( -0.103 -3.327 2.706) 4.290 10.519 ( 0.586 -4.818 -3.051) 5.733 10.519 ( -0.586 -4.818 3.051) 5.733 11.556 ( 0.682 2.065 -5.895) 6.283 11.556 ( -0.682 2.065 5.895) 6.283 12.690 ( -0.066 -1.491 -5.884) 6.071 12.690 ( 0.066 -1.491 5.884) 6.071 13.308 ( 0.662 -6.053 -6.075) 8.601 13.308 ( -0.662 -6.053 6.075) 8.601 13.620 ( -0.871 6.703 0.132) 6.761 13.620 ( 0.871 6.703 -0.132) 6.761 14.075 ( -2.404 -3.137 -0.920) 4.058 14.075 ( 2.404 -3.137 0.920) 4.058 14.608 ( 2.605 2.853 -2.908) 4.836 14.608 ( -2.605 2.853 2.908) 4.836 15.471 ( 0.315 -3.424 -2.644) 4.337 15.471 ( -0.315 -3.424 2.644) 4.337 16.558 ( 0.895 2.667 -4.995) 5.733 16.558 ( -0.895 2.667 4.995) 5.733 16.762 ( 0.104 -2.973 -9.746) 10.190 16.762 ( -0.104 -2.973 9.746) 10.190 24.652 ( 0.148 -0.171 -0.506) 0.554 24.652 ( -0.148 -0.171 0.506) 0.554 24.846 ( 0.142 0.445 -0.409) 0.621 24.846 ( -0.142 0.445 0.409) 0.621 26.223 ( -0.640 -1.165 -1.692) 2.152 26.223 ( 0.640 -1.165 1.692) 2.152 26.568 ( -0.721 0.925 -1.174) 1.660 26.568 ( 0.721 0.925 1.174) 1.660 27.012 ( 0.296 0.590 -4.354) 4.403 27.012 ( -0.296 0.590 4.354) 4.403 27.418 ( 0.384 1.100 -6.583) 6.686 27.418 ( -0.384 1.100 6.583) 6.686 29.018 ( 0.424 0.059 -3.131) 3.160 29.018 ( -0.424 0.059 3.131) 3.160 29.733 ( -0.165 -1.516 -3.073) 3.430 29.733 ( 0.165 -1.516 3.073) 3.430 ======================= Grid point 155 (76/80) ======================= q-point: ( 0.20 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 4.404 3.970 -10.984) 12.482 1.552 ( 5.456 4.697 4.016) 8.244 1.699 ( -1.940 4.551 -0.588) 4.982 1.774 ( 0.375 4.196 1.493) 4.470 1.919 ( -3.569 3.173 -0.103) 4.777 2.017 ( -2.268 0.688 3.116) 3.915 2.087 ( 0.009 4.150 -4.032) 5.786 2.202 ( 0.342 3.178 2.638) 4.144 2.259 ( 3.675 6.503 0.426) 7.482 2.315 ( 5.059 3.494 -4.450) 7.590 2.493 ( -2.820 1.374 -3.555) 4.741 2.651 ( -4.847 1.588 -1.981) 5.472 2.664 ( 3.548 -2.019 5.299) 6.689 2.752 ( -2.719 -1.154 0.685) 3.032 2.829 ( -2.850 2.815 -0.209) 4.011 2.876 ( 0.542 -0.117 1.051) 1.189 2.978 ( -1.986 3.129 0.226) 3.713 3.000 ( -1.969 1.939 -0.393) 2.791 3.084 ( -2.916 -1.301 4.564) 5.570 3.128 ( -0.954 -1.854 -0.397) 2.122 3.276 ( -5.060 4.942 -0.206) 7.076 3.378 ( -2.001 0.220 -2.340) 3.087 3.396 ( -1.379 -0.698 3.598) 3.916 3.552 ( 2.749 -5.776 0.768) 6.442 3.561 ( -4.248 1.446 -1.739) 4.812 3.617 ( -1.511 -1.208 -0.171) 1.942 3.675 ( 2.031 5.968 2.785) 6.892 3.832 ( 0.914 -2.066 -1.459) 2.689 3.940 ( 2.247 5.262 -1.281) 5.863 3.986 ( 3.099 5.148 4.142) 7.298 4.075 ( 1.049 0.892 -1.843) 2.301 4.149 ( 3.301 1.620 1.848) 4.116 4.394 ( 0.028 8.889 -1.479) 9.011 4.442 ( 0.971 5.947 4.192) 7.341 4.984 ( 2.907 8.452 -7.991) 11.989 5.010 ( 1.639 7.772 4.849) 9.306 5.030 ( -0.822 6.182 -2.024) 6.557 5.086 ( 1.547 1.925 -2.168) 3.286 5.410 ( -0.709 -2.547 -3.054) 4.039 5.453 ( -0.330 -4.914 4.732) 6.830 6.352 ( 0.663 1.177 1.696) 2.169 6.391 ( 0.434 0.642 0.675) 1.028 6.400 ( 1.382 1.868 -1.713) 2.887 6.453 ( 3.090 -1.465 -2.387) 4.170 6.806 ( 0.667 -3.615 4.388) 5.724 6.845 ( 1.910 -5.264 -1.649) 5.837 7.505 ( -0.451 -0.286 0.539) 0.758 7.522 ( 0.054 -1.452 -1.282) 1.938 7.651 ( -0.329 1.514 0.317) 1.582 7.680 ( 0.402 0.026 -0.464) 0.615 7.845 ( 1.030 -2.594 -8.519) 8.965 7.874 ( 0.086 -3.859 8.311) 9.164 8.112 ( -1.677 5.503 4.259) 7.158 8.145 ( -0.064 4.107 -5.822) 7.125 8.636 ( 0.197 0.797 -0.956) 1.261 8.669 ( 0.748 -1.055 2.009) 2.389 8.993 ( -2.250 -4.879 2.728) 6.025 9.007 ( -1.430 -5.290 -1.859) 5.786 9.401 ( -0.652 -2.589 -2.457) 3.628 9.407 ( -0.962 -3.156 1.864) 3.790 10.522 ( 0.662 -4.215 1.847) 4.649 10.539 ( 1.300 -5.018 -1.725) 5.463 11.548 ( -1.014 2.070 5.503) 5.966 11.553 ( 0.073 1.873 -5.647) 5.950 12.688 ( 0.904 -1.297 -5.311) 5.541 12.707 ( 0.294 -1.927 5.836) 6.153 13.308 ( -0.379 -6.046 5.879) 8.441 13.312 ( 0.759 -6.320 -5.974) 8.730 13.596 ( -0.562 7.826 -0.504) 7.863 13.642 ( 0.485 7.272 -1.043) 7.363 14.018 ( -1.977 -2.936 -0.377) 3.560 14.099 ( -0.871 -5.872 1.587) 6.144 14.600 ( 1.501 4.735 2.868) 5.736 14.669 ( 3.086 0.950 -3.084) 4.465 15.458 ( -0.949 -3.144 1.250) 3.514 15.466 ( -0.533 -3.324 -1.133) 3.552 16.544 ( -1.048 3.418 3.701) 5.146 16.560 ( -0.039 2.876 -4.517) 5.355 16.742 ( -0.012 -2.543 -6.595) 7.069 16.774 ( -0.630 -3.674 6.932) 7.870 24.646 ( -0.402 -0.037 0.193) 0.448 24.651 ( -0.252 -0.218 -0.509) 0.608 24.843 ( -0.173 0.492 0.515) 0.733 24.846 ( -0.035 0.351 -0.286) 0.454 26.197 ( -0.915 -0.415 -0.609) 1.175 26.231 ( -0.637 -2.273 1.089) 2.600 26.571 ( 1.496 1.657 -1.029) 2.458 26.605 ( 1.829 -0.033 0.107) 1.833 27.010 ( 0.259 0.643 -3.620) 3.685 27.013 ( -0.355 0.461 3.953) 3.996 27.421 ( 0.961 1.180 -4.794) 5.030 27.430 ( 0.253 0.684 5.105) 5.157 29.024 ( 0.450 0.019 2.781) 2.817 29.030 ( 1.058 -0.339 -2.377) 2.624 29.712 ( -1.018 -0.670 -2.626) 2.895 29.729 ( -1.070 -1.537 2.085) 2.802 ======================= Grid point 156 (77/80) ======================= q-point: ( 0.40 0.38 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.598 ( 2.982 4.635 -5.523) 7.802 1.654 ( -2.283 4.307 -3.021) 5.735 1.706 ( 6.924 1.174 2.580) 7.481 1.765 ( -0.690 1.916 2.860) 3.511 1.873 ( 0.368 4.480 -0.994) 4.604 1.976 ( -6.599 3.846 1.271) 7.743 2.079 ( 4.022 -0.651 -2.482) 4.770 2.172 ( -3.846 -0.300 2.327) 4.506 2.347 ( 4.404 6.881 -2.186) 8.457 2.396 ( 0.754 5.483 -1.487) 5.731 2.475 ( 2.935 9.039 0.133) 9.504 2.568 ( -3.928 6.982 -0.447) 8.024 2.698 ( 0.233 3.435 -4.007) 5.282 2.736 ( -1.508 -0.973 8.140) 8.335 2.771 ( 0.498 3.127 -0.909) 3.294 2.845 ( -3.675 0.724 -1.681) 4.105 2.935 ( -0.210 -0.612 0.403) 0.763 2.953 ( -1.667 -0.122 0.107) 1.675 3.042 ( -0.997 -4.735 3.295) 5.854 3.085 ( -3.502 -4.320 -1.344) 5.721 3.248 ( 1.772 1.023 3.139) 3.747 3.314 ( -3.406 -0.660 -2.942) 4.549 3.392 ( 1.468 -0.405 4.125) 4.397 3.463 ( -3.864 -1.960 -3.801) 5.764 3.607 ( 1.269 -1.963 5.347) 5.835 3.623 ( 0.940 -2.105 -4.627) 5.169 3.722 ( 2.261 1.338 3.732) 4.564 3.785 ( -3.083 -0.970 -2.411) 4.032 3.999 ( 2.703 5.119 -1.493) 5.978 4.029 ( -0.291 4.280 1.391) 4.509 4.133 ( 3.554 4.368 0.601) 5.663 4.178 ( -0.536 3.681 -0.326) 3.734 4.415 ( 2.061 8.035 -0.932) 8.347 4.451 ( -1.107 5.979 3.035) 6.796 5.011 ( 1.114 10.952 -9.091) 14.277 5.020 ( -0.941 9.697 7.839) 12.505 5.061 ( 3.262 2.575 -3.413) 5.378 5.102 ( -0.579 2.289 0.842) 2.507 5.409 ( 1.492 -3.742 -5.582) 6.883 5.438 ( -1.921 -5.008 6.231) 8.221 6.378 ( 1.221 2.112 0.383) 2.469 6.396 ( -0.360 2.206 -0.076) 2.236 6.442 ( 2.707 -0.690 0.750) 2.893 6.482 ( -0.281 -2.228 -1.897) 2.940 6.843 ( 1.647 -3.795 3.648) 5.515 6.866 ( 0.179 -4.834 -2.162) 5.298 7.506 ( 0.391 -0.771 0.347) 0.932 7.517 ( -0.389 -1.516 -0.793) 1.755 7.653 ( 0.472 1.068 1.092) 1.599 7.672 ( -0.873 0.033 -1.193) 1.479 7.862 ( 1.802 -2.158 -7.995) 8.475 7.879 ( -1.087 -2.911 7.857) 8.449 8.102 ( -0.014 4.310 4.858) 6.494 8.123 ( -0.802 3.460 -5.819) 6.817 8.651 ( 1.375 0.023 -1.786) 2.254 8.674 ( -0.810 -1.346 2.441) 2.903 8.958 ( -1.125 -3.861 3.765) 5.509 8.969 ( -1.308 -4.319 -3.245) 5.558 9.387 ( -0.082 -2.067 -2.711) 3.410 9.390 ( -0.807 -2.397 2.355) 3.455 10.544 ( 0.881 -4.039 1.758) 4.492 10.555 ( 0.307 -4.517 -1.680) 4.829 11.540 ( -0.686 1.871 5.748) 6.084 11.543 ( 0.091 1.758 -5.841) 6.100 12.703 ( 1.347 -1.596 -5.254) 5.653 12.715 ( -0.623 -1.984 5.595) 5.969 13.312 ( -0.318 -6.284 5.896) 8.623 13.315 ( 0.542 -6.478 -5.968) 8.825 13.601 ( 1.087 9.007 -0.538) 9.088 13.630 ( -1.372 8.840 -0.341) 8.952 14.011 ( 1.366 -5.236 -1.207) 5.544 14.057 ( -2.894 -6.573 1.862) 7.420 14.660 ( 2.887 3.275 3.133) 5.374 14.700 ( 0.057 1.154 -3.249) 3.448 15.445 ( -0.429 -2.808 1.661) 3.291 15.450 ( -0.581 -2.957 -1.589) 3.407 16.535 ( -0.318 4.090 3.501) 5.393 16.545 ( -0.454 3.870 -4.000) 5.583 16.744 ( 1.273 -3.107 -6.470) 7.289 16.763 ( -1.546 -3.702 6.677) 7.789 24.640 ( -0.111 -0.006 0.205) 0.233 24.643 ( -0.291 -0.116 -0.401) 0.509 24.842 ( -0.009 0.421 0.461) 0.624 24.844 ( -0.111 0.335 -0.319) 0.476 26.191 ( 0.472 -0.980 -0.671) 1.279 26.210 ( -1.321 -1.956 0.913) 2.531 26.609 ( 1.794 0.956 -0.751) 2.167 26.627 ( 0.075 0.073 0.238) 0.260 27.010 ( 0.400 0.543 -3.519) 3.583 27.012 ( -0.415 0.437 3.729) 3.777 27.435 ( 1.102 0.794 -5.430) 5.597 27.441 ( -0.352 0.488 5.620) 5.653 29.041 ( 0.426 -0.419 2.715) 2.780 29.045 ( 0.564 -0.673 -2.447) 2.600 29.694 ( -0.022 -0.126 -2.361) 2.364 29.705 ( -1.319 -0.693 2.009) 2.501 ======================= Grid point 159 (78/80) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -0.000 0.000 0.000) 0.000 1.554 ( -0.000 0.000 0.000) 0.000 1.756 ( -0.000 0.000 0.000) 0.000 1.756 ( 0.000 0.000 0.000) 0.000 2.076 ( 0.000 -0.000 -0.000) 0.000 2.076 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.150 ( -0.000 0.000 0.000) 0.000 2.339 ( -0.000 0.000 0.000) 0.000 2.339 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.497 ( 0.000 0.000 0.000) 0.000 2.729 ( 0.000 0.000 0.000) 0.000 2.729 ( -0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 2.886 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.041 ( -0.000 0.000 0.000) 0.000 3.124 ( -0.000 0.000 0.000) 0.000 3.124 ( 0.000 0.000 0.000) 0.000 3.399 ( -0.000 0.000 -0.000) 0.000 3.399 ( 0.000 0.000 0.000) 0.000 3.441 ( -0.000 -0.000 -0.000) 0.000 3.441 ( 0.000 0.000 0.000) 0.000 3.708 ( -0.000 0.000 -0.000) 0.000 3.708 ( -0.000 0.000 -0.000) 0.000 3.715 ( 0.000 -0.000 0.000) 0.000 3.715 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 -0.000) 0.000 3.989 ( -0.000 0.000 0.000) 0.000 4.050 ( -0.000 0.000 -0.000) 0.000 4.050 ( 0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.509 ( -0.000 0.000 0.000) 0.000 5.024 ( 0.000 0.000 -0.000) 0.000 5.024 ( -0.000 0.000 0.000) 0.000 5.097 ( 0.000 0.000 -0.000) 0.000 5.097 ( -0.000 0.000 0.000) 0.000 5.427 ( 0.000 0.000 0.000) 0.000 5.427 ( -0.000 0.000 0.000) 0.000 6.387 ( 0.000 -0.000 -0.000) 0.000 6.387 ( -0.000 0.000 0.000) 0.000 6.389 ( 0.000 0.000 -0.000) 0.000 6.389 ( -0.000 -0.000 0.000) 0.000 6.767 ( -0.000 0.000 0.000) 0.000 6.767 ( 0.000 0.000 0.000) 0.000 7.499 ( -0.000 0.000 0.000) 0.000 7.499 ( 0.000 0.000 0.000) 0.000 7.682 ( 0.000 -0.000 -0.000) 0.000 7.682 ( -0.000 0.000 -0.000) 0.000 7.807 ( -0.000 0.000 0.000) 0.000 7.807 ( -0.000 0.000 0.000) 0.000 8.195 ( -0.000 0.000 0.000) 0.000 8.195 ( 0.000 0.000 0.000) 0.000 8.662 ( -0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.948 ( -0.000 -0.000 -0.000) 0.000 8.948 ( -0.000 0.000 0.000) 0.000 9.383 ( -0.000 0.000 0.000) 0.000 9.383 ( -0.000 0.000 0.000) 0.000 10.468 ( -0.000 0.000 0.000) 0.000 10.468 ( -0.000 0.000 0.000) 0.000 11.581 ( 0.000 0.000 0.000) 0.000 11.581 ( -0.000 0.000 0.000) 0.000 12.671 ( 0.000 0.000 0.000) 0.000 12.671 ( -0.000 0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.246 ( 0.000 0.000 0.000) 0.000 13.694 ( -0.000 0.000 0.000) 0.000 13.694 ( -0.000 0.000 0.000) 0.000 14.037 ( -0.000 0.000 0.000) 0.000 14.037 ( -0.000 0.000 0.000) 0.000 14.641 ( -0.000 0.000 0.000) 0.000 14.641 ( -0.000 0.000 0.000) 0.000 15.433 ( -0.000 0.000 0.000) 0.000 15.433 ( 0.000 0.000 0.000) 0.000 16.593 ( -0.000 0.000 -0.000) 0.000 16.593 ( 0.000 0.000 0.000) 0.000 16.725 ( 0.000 0.000 -0.000) 0.000 16.725 ( -0.000 0.000 0.000) 0.000 24.651 ( -0.000 0.000 0.000) 0.000 24.651 ( 0.000 0.000 0.000) 0.000 24.850 ( -0.000 0.000 0.000) 0.000 24.850 ( 0.000 0.000 0.000) 0.000 26.211 ( -0.000 0.000 0.000) 0.000 26.211 ( 0.000 0.000 0.000) 0.000 26.577 ( 0.000 0.000 -0.000) 0.000 26.577 ( -0.000 0.000 0.000) 0.000 27.019 ( -0.000 0.000 0.000) 0.000 27.019 ( 0.000 0.000 0.000) 0.000 27.428 ( -0.000 0.000 0.000) 0.000 27.428 ( 0.000 0.000 0.000) 0.000 29.019 ( 0.000 0.000 0.000) 0.000 29.019 ( -0.000 0.000 0.000) 0.000 29.719 ( -0.000 0.000 0.000) 0.000 29.719 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 163 (79/80) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 3.699 -1.011 -5.222) 6.479 1.591 ( 3.699 1.011 -5.222) 6.479 1.772 ( 0.847 -2.960 0.448) 3.111 1.772 ( 0.847 2.960 0.448) 3.111 1.991 ( -4.960 -2.980 4.414) 7.278 1.991 ( -4.960 2.980 4.414) 7.278 2.167 ( -0.414 -4.095 -4.156) 5.849 2.167 ( -0.414 4.095 -4.156) 5.849 2.381 ( 3.774 -3.486 -2.430) 5.684 2.381 ( 3.774 3.486 -2.430) 5.684 2.540 ( 3.530 -6.685 2.671) 8.018 2.540 ( 3.530 6.685 2.671) 8.018 2.699 ( -1.941 -3.107 1.376) 3.914 2.699 ( -1.941 3.107 1.376) 3.914 2.880 ( -1.414 -1.560 1.735) 2.728 2.880 ( -1.414 1.560 1.735) 2.728 3.023 ( -1.351 -0.697 -2.102) 2.594 3.023 ( -1.351 0.697 -2.102) 2.594 3.084 ( -4.034 -1.573 2.088) 4.807 3.084 ( -4.034 1.573 2.088) 4.807 3.360 ( -3.103 -2.104 -2.603) 4.564 3.360 ( -3.102 2.104 -2.603) 4.564 3.435 ( -2.118 -3.696 3.086) 5.260 3.435 ( -2.118 3.696 3.086) 5.260 3.590 ( -2.477 -1.078 -1.575) 3.127 3.590 ( -2.477 1.078 -1.575) 3.127 3.770 ( -0.060 -4.144 1.505) 4.409 3.770 ( -0.060 4.144 1.505) 4.409 4.029 ( 2.685 -3.577 -2.304) 5.031 4.029 ( 2.685 3.577 -2.304) 5.031 4.111 ( 4.534 -4.455 3.754) 7.382 4.111 ( 4.534 4.455 3.754) 7.382 4.509 ( 0.039 -1.119 1.256) 1.683 4.509 ( 0.039 1.119 1.256) 1.683 5.052 ( 1.904 -1.981 -1.562) 3.160 5.052 ( 1.904 1.981 -1.562) 3.160 5.105 ( 1.467 -1.161 -3.215) 3.720 5.105 ( 1.467 1.161 -3.215) 3.720 5.417 ( -1.103 -0.721 1.349) 1.886 5.417 ( -1.103 0.721 1.349) 1.886 6.379 ( 0.577 -1.451 1.387) 2.089 6.379 ( 0.577 1.451 1.387) 2.089 6.428 ( 2.004 -1.263 -1.616) 2.868 6.428 ( 2.004 1.263 -1.616) 2.868 6.784 ( 1.340 -1.065 1.136) 2.054 6.784 ( 1.340 1.065 1.136) 2.054 7.494 ( -0.333 -0.438 -0.579) 0.799 7.494 ( -0.333 0.438 -0.579) 0.799 7.678 ( -0.175 -0.749 -0.900) 1.184 7.678 ( -0.175 0.749 -0.900) 1.184 7.818 ( 0.863 -0.745 0.906) 1.456 7.818 ( 0.863 0.745 0.906) 1.456 8.180 ( -1.191 -0.926 -0.762) 1.690 8.180 ( -1.191 0.926 -0.762) 1.690 8.665 ( 0.216 -0.743 0.525) 0.936 8.665 ( 0.216 0.743 0.525) 0.936 8.933 ( -1.340 -0.409 0.303) 1.433 8.933 ( -1.340 0.409 0.303) 1.433 9.377 ( -0.489 -0.062 -0.127) 0.509 9.377 ( -0.489 0.062 -0.127) 0.509 10.482 ( 1.138 -0.453 0.075) 1.227 10.482 ( 1.138 0.453 0.075) 1.227 11.574 ( -0.550 -0.144 -0.151) 0.588 11.574 ( -0.550 0.144 -0.151) 0.588 12.677 ( 0.493 -0.574 0.207) 0.785 12.677 ( 0.493 0.574 0.207) 0.785 13.248 ( 0.119 -0.079 0.078) 0.162 13.248 ( 0.119 0.079 0.078) 0.162 13.704 ( 0.956 -1.835 -0.788) 2.214 13.704 ( 0.956 1.835 -0.788) 2.214 14.007 ( -2.607 -2.549 0.556) 3.688 14.007 ( -2.607 2.549 0.556) 3.688 14.666 ( 2.079 -1.671 -0.244) 2.679 14.666 ( 2.079 1.671 -0.244) 2.679 15.427 ( -0.546 -0.269 0.174) 0.633 15.427 ( -0.546 0.269 0.174) 0.633 16.592 ( 0.054 -0.638 -0.741) 0.980 16.592 ( 0.054 0.638 -0.741) 0.980 16.718 ( -0.658 -1.102 0.619) 1.425 16.718 ( -0.658 1.102 0.619) 1.425 24.647 ( -0.286 -0.128 -0.173) 0.358 24.647 ( -0.286 0.128 -0.173) 0.358 24.849 ( -0.125 -0.090 0.122) 0.197 24.849 ( -0.125 0.090 0.122) 0.197 26.201 ( -0.862 -0.848 0.243) 1.234 26.201 ( -0.862 0.848 0.243) 1.234 26.595 ( 1.503 -0.866 -0.386) 1.777 26.595 ( 1.503 0.866 -0.386) 1.777 27.019 ( -0.068 -0.078 0.140) 0.174 27.019 ( -0.068 0.078 0.140) 0.174 27.434 ( 0.475 -0.217 0.045) 0.524 27.434 ( 0.475 0.217 0.045) 0.524 29.026 ( 0.572 -0.132 0.131) 0.602 29.026 ( 0.572 0.132 0.131) 0.602 29.710 ( -0.717 -0.430 -0.135) 0.847 29.710 ( -0.717 0.430 -0.135) 0.847 ======================= Grid point 165 (80/80) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.84e-04 2.84e-04 2.84e-04 2.84e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 3.35e-04 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( 3.669 -2.158 -8.050) 9.106 1.662 ( 3.669 2.158 -8.050) 9.106 1.753 ( -3.046 -2.620 6.588) 7.717 1.753 ( -3.046 2.620 6.588) 7.717 1.973 ( 2.694 -4.386 -0.040) 5.148 1.973 ( 2.694 4.386 -0.040) 5.148 2.111 ( -3.834 -4.134 -1.501) 5.835 2.111 ( -3.834 4.134 -1.501) 5.835 2.445 ( 1.939 -1.846 -0.141) 2.681 2.445 ( 1.939 1.846 -0.141) 2.681 2.637 ( 4.989 -7.010 -0.094) 8.604 2.637 ( 4.989 7.010 -0.094) 8.604 2.685 ( -0.116 -4.327 1.254) 4.507 2.685 ( -0.116 4.327 1.254) 4.507 2.838 ( -2.360 -2.349 0.505) 3.368 2.838 ( -2.360 2.349 0.505) 3.368 2.962 ( -2.652 -2.239 2.041) 4.026 2.962 ( -2.652 2.239 2.041) 4.026 2.998 ( -3.947 -3.163 -1.761) 5.356 2.998 ( -3.947 3.163 -1.761) 5.356 3.311 ( -0.441 -3.476 1.769) 3.925 3.311 ( -0.441 3.476 1.769) 3.925 3.376 ( -2.423 -3.442 -1.782) 4.571 3.376 ( -2.423 3.442 -1.782) 4.571 3.607 ( 1.762 -0.699 0.198) 1.906 3.607 ( 1.762 0.699 0.198) 1.906 3.747 ( -1.435 -1.990 0.839) 2.593 3.747 ( -1.435 1.990 0.839) 2.593 4.075 ( 1.565 -1.293 -0.913) 2.226 4.075 ( 1.565 1.293 -0.913) 2.226 4.185 ( 1.686 -1.938 0.996) 2.755 4.185 ( 1.686 1.938 0.996) 2.755 4.518 ( 0.363 -0.845 1.144) 1.468 4.518 ( 0.363 0.845 1.144) 1.468 5.065 ( -0.058 -0.621 0.032) 0.624 5.065 ( -0.058 0.621 0.032) 0.624 5.149 ( 2.202 -0.964 -3.282) 4.068 5.149 ( 2.202 0.964 -3.282) 4.068 5.394 ( -0.970 -0.688 1.265) 1.736 5.394 ( -0.970 0.688 1.265) 1.737 6.405 ( 1.213 -0.824 0.671) 1.612 6.405 ( 1.213 0.824 0.671) 1.612 6.451 ( 0.381 -1.131 -0.729) 1.399 6.451 ( 0.381 1.131 -0.729) 1.399 6.813 ( 0.892 -0.608 0.616) 1.243 6.813 ( 0.892 0.608 0.616) 1.243 7.487 ( -0.190 -0.285 -0.328) 0.474 7.487 ( -0.190 0.285 -0.328) 0.474 7.674 ( -0.119 -0.464 -0.487) 0.683 7.674 ( -0.119 0.464 -0.487) 0.683 7.836 ( 0.528 -0.432 0.470) 0.828 7.836 ( 0.528 0.432 0.470) 0.828 8.156 ( -0.737 -0.585 -0.483) 1.057 8.156 ( -0.737 0.585 -0.483) 1.057 8.671 ( 0.162 -0.498 0.314) 0.611 8.671 ( 0.162 0.498 0.314) 0.611 8.906 ( -0.903 -0.277 0.199) 0.965 8.906 ( -0.903 0.277 0.199) 0.965 9.368 ( -0.270 -0.028 -0.082) 0.284 9.368 ( -0.270 0.028 -0.082) 0.284 10.504 ( 0.696 -0.275 0.048) 0.750 10.504 ( 0.696 0.275 0.048) 0.750 11.563 ( -0.350 -0.086 -0.093) 0.372 11.563 ( -0.350 0.086 -0.093) 0.372 12.687 ( 0.305 -0.358 0.131) 0.489 12.687 ( 0.305 0.358 0.131) 0.489 13.250 ( 0.074 -0.049 0.047) 0.100 13.250 ( 0.074 0.049 0.047) 0.100 13.724 ( 0.795 -1.435 -0.578) 1.739 13.724 ( 0.795 1.435 -0.578) 1.739 13.956 ( -1.707 -1.784 0.417) 2.504 13.956 ( -1.707 1.784 0.417) 2.504 14.704 ( 1.204 -0.961 -0.138) 1.547 14.704 ( 1.204 0.961 -0.138) 1.547 15.416 ( -0.369 -0.179 0.108) 0.424 15.416 ( -0.369 0.179 0.108) 0.424 16.593 ( 0.072 -0.463 -0.500) 0.685 16.593 ( 0.072 0.463 -0.500) 0.685 16.706 ( -0.440 -0.743 0.425) 0.963 16.706 ( -0.440 0.743 0.425) 0.963 24.641 ( -0.176 -0.078 -0.107) 0.221 24.641 ( -0.176 0.078 -0.107) 0.221 24.846 ( -0.076 -0.056 0.076) 0.121 24.846 ( -0.076 0.056 0.076) 0.121 26.186 ( -0.446 -0.467 0.133) 0.659 26.186 ( -0.446 0.467 0.133) 0.659 26.622 ( 0.822 -0.482 -0.223) 0.979 26.622 ( 0.822 0.482 -0.223) 0.979 27.018 ( -0.020 -0.049 0.088) 0.103 27.018 ( -0.020 0.049 0.088) 0.103 27.443 ( 0.286 -0.133 0.028) 0.317 27.443 ( 0.286 0.133 0.028) 0.317 29.038 ( 0.372 -0.089 0.085) 0.392 29.038 ( 0.372 0.089 0.085) 0.392 29.696 ( -0.460 -0.273 -0.087) 0.542 29.696 ( -0.460 0.273 -0.087) 0.542 =================== 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 3/23040 10.0 252.786 300.259 270.846 0.000 -23.927 0.000 3/23040 20.0 44.388 57.369 64.035 0.000 -2.243 0.000 3/23040 30.0 17.790 24.530 28.299 0.000 -1.102 0.000 3/23040 40.0 10.456 14.896 17.057 0.000 -0.700 0.000 3/23040 50.0 7.332 10.638 12.040 0.000 -0.494 0.000 3/23040 60.0 5.633 8.270 9.269 0.000 -0.372 0.000 3/23040 70.0 4.568 6.766 7.527 0.000 -0.295 0.000 3/23040 80.0 3.839 5.726 6.336 0.000 -0.242 0.000 3/23040 90.0 3.309 4.965 5.475 0.000 -0.205 0.000 3/23040 100.0 2.908 4.385 4.824 0.000 -0.178 0.000 3/23040 110.0 2.593 3.929 4.315 0.000 -0.157 0.000 3/23040 120.0 2.341 3.561 3.908 0.000 -0.140 0.000 3/23040 130.0 2.134 3.258 3.574 0.000 -0.127 0.000 3/23040 140.0 1.961 3.004 3.296 0.000 -0.117 0.000 3/23040 150.0 1.815 2.789 3.060 0.000 -0.108 0.000 3/23040 160.0 1.690 2.603 2.858 0.000 -0.100 0.000 3/23040 170.0 1.581 2.442 2.682 0.000 -0.094 0.000 3/23040 180.0 1.485 2.300 2.528 0.000 -0.088 0.000 3/23040 190.0 1.401 2.175 2.392 0.000 -0.083 0.000 3/23040 200.0 1.326 2.063 2.271 0.000 -0.079 0.000 3/23040 210.0 1.259 1.963 2.162 0.000 -0.075 0.000 3/23040 220.0 1.199 1.872 2.064 0.000 -0.072 0.000 3/23040 230.0 1.144 1.790 1.976 0.000 -0.068 0.000 3/23040 240.0 1.094 1.714 1.894 0.000 -0.066 0.000 3/23040 250.0 1.049 1.645 1.820 0.000 -0.063 0.000 3/23040 260.0 1.007 1.582 1.752 0.000 -0.061 0.000 3/23040 270.0 0.968 1.523 1.689 0.000 -0.058 0.000 3/23040 280.0 0.933 1.469 1.630 0.000 -0.056 0.000 3/23040 290.0 0.900 1.419 1.576 0.000 -0.055 0.000 3/23040 300.0 0.869 1.372 1.525 0.000 -0.053 0.000 3/23040 310.0 0.840 1.328 1.478 0.000 -0.051 0.000 3/23040 320.0 0.813 1.287 1.433 0.000 -0.050 0.000 3/23040 330.0 0.788 1.248 1.392 0.000 -0.048 0.000 3/23040 340.0 0.765 1.212 1.353 0.000 -0.047 0.000 3/23040 350.0 0.743 1.178 1.316 0.000 -0.046 0.000 3/23040 360.0 0.722 1.146 1.281 0.000 -0.044 0.000 3/23040 370.0 0.702 1.115 1.248 0.000 -0.043 0.000 3/23040 380.0 0.683 1.086 1.216 0.000 -0.042 0.000 3/23040 390.0 0.666 1.059 1.186 0.000 -0.041 0.000 3/23040 400.0 0.649 1.033 1.158 0.000 -0.040 0.000 3/23040 410.0 0.633 1.008 1.131 0.000 -0.039 0.000 3/23040 420.0 0.618 0.984 1.105 0.000 -0.038 0.000 3/23040 430.0 0.603 0.962 1.081 0.000 -0.038 0.000 3/23040 440.0 0.589 0.940 1.057 0.000 -0.037 0.000 3/23040 450.0 0.576 0.920 1.035 0.000 -0.036 0.000 3/23040 460.0 0.564 0.900 1.013 0.000 -0.035 0.000 3/23040 470.0 0.552 0.881 0.993 0.000 -0.035 0.000 3/23040 480.0 0.540 0.863 0.973 0.000 -0.034 0.000 3/23040 490.0 0.529 0.846 0.954 0.000 -0.033 0.000 3/23040 500.0 0.518 0.829 0.936 0.000 -0.033 0.000 3/23040 510.0 0.508 0.813 0.918 0.000 -0.032 0.000 3/23040 520.0 0.499 0.798 0.901 0.000 -0.031 0.000 3/23040 530.0 0.489 0.783 0.885 0.000 -0.031 0.000 3/23040 540.0 0.480 0.769 0.869 0.000 -0.030 0.000 3/23040 550.0 0.471 0.755 0.854 0.000 -0.030 0.000 3/23040 560.0 0.463 0.742 0.839 0.000 -0.029 0.000 3/23040 570.0 0.455 0.729 0.825 0.000 -0.029 0.000 3/23040 580.0 0.447 0.716 0.811 0.000 -0.028 0.000 3/23040 590.0 0.439 0.704 0.798 0.000 -0.028 0.000 3/23040 600.0 0.432 0.693 0.785 0.000 -0.027 0.000 3/23040 610.0 0.425 0.682 0.773 0.000 -0.027 0.000 3/23040 620.0 0.418 0.671 0.761 0.000 -0.027 0.000 3/23040 630.0 0.411 0.660 0.749 0.000 -0.026 0.000 3/23040 640.0 0.405 0.650 0.738 0.000 -0.026 0.000 3/23040 650.0 0.399 0.640 0.727 0.000 -0.025 0.000 3/23040 660.0 0.393 0.631 0.716 0.000 -0.025 0.000 3/23040 670.0 0.387 0.622 0.706 0.000 -0.025 0.000 3/23040 680.0 0.381 0.612 0.696 0.000 -0.024 0.000 3/23040 690.0 0.376 0.604 0.686 0.000 -0.024 0.000 3/23040 700.0 0.370 0.595 0.676 0.000 -0.024 0.000 3/23040 710.0 0.365 0.587 0.667 0.000 -0.023 0.000 3/23040 720.0 0.360 0.579 0.658 0.000 -0.023 0.000 3/23040 730.0 0.355 0.571 0.649 0.000 -0.023 0.000 3/23040 740.0 0.350 0.563 0.641 0.000 -0.022 0.000 3/23040 750.0 0.346 0.556 0.633 0.000 -0.022 0.000 3/23040 760.0 0.341 0.549 0.625 0.000 -0.022 0.000 3/23040 770.0 0.337 0.542 0.617 0.000 -0.022 0.000 3/23040 780.0 0.333 0.535 0.609 0.000 -0.021 0.000 3/23040 790.0 0.328 0.528 0.601 0.000 -0.021 0.000 3/23040 800.0 0.324 0.522 0.594 0.000 -0.021 0.000 3/23040 810.0 0.320 0.515 0.587 0.000 -0.021 0.000 3/23040 820.0 0.316 0.509 0.580 0.000 -0.020 0.000 3/23040 830.0 0.313 0.503 0.573 0.000 -0.020 0.000 3/23040 840.0 0.309 0.497 0.567 0.000 -0.020 0.000 3/23040 850.0 0.305 0.491 0.560 0.000 -0.020 0.000 3/23040 860.0 0.302 0.486 0.554 0.000 -0.019 0.000 3/23040 870.0 0.298 0.480 0.547 0.000 -0.019 0.000 3/23040 880.0 0.295 0.475 0.541 0.000 -0.019 0.000 3/23040 890.0 0.292 0.469 0.535 0.000 -0.019 0.000 3/23040 900.0 0.288 0.464 0.530 0.000 -0.019 0.000 3/23040 910.0 0.285 0.459 0.524 0.000 -0.018 0.000 3/23040 920.0 0.282 0.454 0.518 0.000 -0.018 0.000 3/23040 930.0 0.279 0.449 0.513 0.000 -0.018 0.000 3/23040 940.0 0.276 0.445 0.508 0.000 -0.018 0.000 3/23040 950.0 0.273 0.440 0.502 0.000 -0.018 0.000 3/23040 960.0 0.270 0.436 0.497 0.000 -0.017 0.000 3/23040 970.0 0.268 0.431 0.492 0.000 -0.017 0.000 3/23040 980.0 0.265 0.427 0.487 0.000 -0.017 0.000 3/23040 990.0 0.262 0.422 0.482 0.000 -0.017 0.000 3/23040 1000.0 0.260 0.418 0.478 0.000 -0.017 0.000 3/23040 Thermal conductivity related properties were written into "kappa-m586.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 03:56:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|