----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 00:53:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 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 8.211457730061884 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320020439999999 0.000000000000000 c -2.329652390453290 0.000000000000000 9.110278604664716 Atomic positions (fractional): *1 Sb 0.71288404446560 0.47023261202089 0.06811298305650 121.760 *2 Sb 0.08814874510622 0.73866226890605 0.11388373620250 121.760 *3 Sb 0.50854921436228 0.81773481694426 0.23347166858656 121.760 4 Sb 0.49145078563772 0.31773481694426 0.26652833141344 121.760 5 Sb 0.91185125489378 0.23866226890605 0.38611626379750 121.760 6 Sb 0.28711595553440 0.97023261202089 0.43188701694350 121.760 7 Sb 0.71288404446560 0.02976738797911 0.56811298305650 121.760 8 Sb 0.08814874510622 0.76133773109395 0.61388373620250 121.760 9 Sb 0.50854921436228 0.68226518305574 0.73347166858656 121.760 10 Sb 0.49145078563772 0.18226518305574 0.76652833141344 121.760 11 Sb 0.91185125489378 0.26133773109395 0.88611626379750 121.760 12 Sb 0.28711595553440 0.52976738797911 0.93188701694350 121.760 *13 Br 0.88664183291647 0.10292614270313 0.08285800254647 79.904 *14 Br 0.38597278267789 0.13129958861401 0.11261386000725 79.904 *15 Br 0.10875795968807 0.39318963583484 0.16417979622461 79.904 16 Br 0.89124204031193 0.89318963583484 0.33582020377539 79.904 17 Br 0.61402721732211 0.63129958861401 0.38738613999275 79.904 18 Br 0.11335816708353 0.60292614270313 0.41714199745353 79.904 19 Br 0.88664183291647 0.39707385729687 0.58285800254647 79.904 20 Br 0.38597278267789 0.36870041138599 0.61261386000725 79.904 21 Br 0.10875795968807 0.10681036416516 0.66417979622461 79.904 22 Br 0.89124204031193 0.60681036416516 0.83582020377539 79.904 23 Br 0.61402721732211 0.86870041138599 0.88738613999275 79.904 24 Br 0.11335816708353 0.89707385729687 0.91714199745353 79.904 *25 O 0.47416998698314 0.42545879941114 0.08795427678506 15.999 *26 O 0.29317478696054 0.65652156864886 0.08075904705928 15.999 *27 O 0.72977598933509 0.33024168437890 0.23987884993926 15.999 28 O 0.27022401066491 0.83024168437890 0.26012115006074 15.999 29 O 0.70682521303946 0.15652156864886 0.41924095294072 15.999 30 O 0.52583001301686 0.92545879941114 0.41204572321494 15.999 31 O 0.47416998698314 0.07454120058886 0.58795427678506 15.999 32 O 0.29317478696054 0.84347843135114 0.58075904705928 15.999 33 O 0.72977598933509 0.16975831562110 0.73987884993926 15.999 34 O 0.27022401066491 0.66975831562110 0.76012115006074 15.999 35 O 0.70682521303946 0.34347843135114 0.91924095294072 15.999 36 O 0.52583001301686 0.57454120058886 0.91204572321494 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.211457730061884 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320020439999999 0.000000000000000 c -2.329652390453290 0.000000000000000 9.110278604664716 Atomic positions (fractional): *1 Sb 0.71288404446560 0.47023261202089 0.06811298305650 121.760 > 1 *2 Sb 0.08814874510622 0.73866226890605 0.11388373620250 121.760 > 2 *3 Sb 0.50854921436228 0.81773481694426 0.23347166858656 121.760 > 3 4 Sb 0.49145078563772 0.31773481694426 0.26652833141344 121.760 > 4 5 Sb 0.91185125489378 0.23866226890605 0.38611626379750 121.760 > 5 6 Sb 0.28711595553440 0.97023261202089 0.43188701694350 121.760 > 6 7 Sb 0.71288404446560 0.02976738797911 0.56811298305650 121.760 > 7 8 Sb 0.08814874510622 0.76133773109395 0.61388373620250 121.760 > 8 9 Sb 0.50854921436228 0.68226518305574 0.73347166858656 121.760 > 9 10 Sb 0.49145078563772 0.18226518305574 0.76652833141344 121.760 > 10 11 Sb 0.91185125489378 0.26133773109395 0.88611626379750 121.760 > 11 12 Sb 0.28711595553440 0.52976738797911 0.93188701694350 121.760 > 12 *13 Br 0.88664183291647 0.10292614270313 0.08285800254647 79.904 > 13 *14 Br 0.38597278267789 0.13129958861401 0.11261386000725 79.904 > 14 *15 Br 0.10875795968807 0.39318963583484 0.16417979622461 79.904 > 15 16 Br 0.89124204031193 0.89318963583484 0.33582020377539 79.904 > 16 17 Br 0.61402721732211 0.63129958861401 0.38738613999275 79.904 > 17 18 Br 0.11335816708353 0.60292614270313 0.41714199745353 79.904 > 18 19 Br 0.88664183291647 0.39707385729687 0.58285800254647 79.904 > 19 20 Br 0.38597278267789 0.36870041138599 0.61261386000725 79.904 > 20 21 Br 0.10875795968807 0.10681036416516 0.66417979622461 79.904 > 21 22 Br 0.89124204031193 0.60681036416516 0.83582020377539 79.904 > 22 23 Br 0.61402721732211 0.86870041138599 0.88738613999275 79.904 > 23 24 Br 0.11335816708353 0.89707385729687 0.91714199745353 79.904 > 24 *25 O 0.47416998698314 0.42545879941114 0.08795427678506 15.999 > 25 *26 O 0.29317478696054 0.65652156864886 0.08075904705928 15.999 > 26 *27 O 0.72977598933509 0.33024168437890 0.23987884993926 15.999 > 27 28 O 0.27022401066491 0.83024168437890 0.26012115006074 15.999 > 28 29 O 0.70682521303946 0.15652156864886 0.41924095294072 15.999 > 29 30 O 0.52583001301686 0.92545879941114 0.41204572321494 15.999 > 30 31 O 0.47416998698314 0.07454120058886 0.58795427678506 15.999 > 31 32 O 0.29317478696054 0.84347843135114 0.58075904705928 15.999 > 32 33 O 0.72977598933509 0.16975831562110 0.73987884993926 15.999 > 33 34 O 0.27022401066491 0.66975831562110 0.76012115006074 15.999 > 34 35 O 0.70682521303946 0.34347843135114 0.91924095294072 15.999 > 35 36 O 0.52583001301686 0.57454120058886 0.91204572321494 15.999 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.422915460123768 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320020439999999 0.000000000000000 c -4.659304780906580 0.000000000000000 18.220557209329431 Atomic positions (fractional): *1 Sb 0.35644202223280 0.47023261202089 0.03405649152825 121.760 > 1 2 Sb 0.85644202223280 0.47023261202089 0.03405649152825 121.760 > 1 3 Sb 0.35644202223280 0.47023261202089 0.53405649152825 121.760 > 1 4 Sb 0.85644202223280 0.47023261202089 0.53405649152825 121.760 > 1 *5 Sb 0.04407437255311 0.73866226890605 0.05694186810125 121.760 > 2 6 Sb 0.54407437255311 0.73866226890605 0.05694186810125 121.760 > 2 7 Sb 0.04407437255311 0.73866226890605 0.55694186810125 121.760 > 2 8 Sb 0.54407437255311 0.73866226890605 0.55694186810125 121.760 > 2 *9 Sb 0.25427460718114 0.81773481694426 0.11673583429328 121.760 > 3 10 Sb 0.75427460718114 0.81773481694426 0.11673583429328 121.760 > 3 11 Sb 0.25427460718114 0.81773481694426 0.61673583429328 121.760 > 3 12 Sb 0.75427460718114 0.81773481694426 0.61673583429328 121.760 > 3 13 Sb 0.24572539281886 0.31773481694426 0.13326416570672 121.760 > 4 14 Sb 0.74572539281886 0.31773481694426 0.13326416570672 121.760 > 4 15 Sb 0.24572539281886 0.31773481694426 0.63326416570672 121.760 > 4 16 Sb 0.74572539281886 0.31773481694426 0.63326416570672 121.760 > 4 17 Sb 0.45592562744689 0.23866226890605 0.19305813189875 121.760 > 5 18 Sb 0.95592562744689 0.23866226890605 0.19305813189875 121.760 > 5 19 Sb 0.45592562744689 0.23866226890605 0.69305813189875 121.760 > 5 20 Sb 0.95592562744689 0.23866226890605 0.69305813189875 121.760 > 5 21 Sb 0.14355797776720 0.97023261202089 0.21594350847175 121.760 > 6 22 Sb 0.64355797776720 0.97023261202089 0.21594350847175 121.760 > 6 23 Sb 0.14355797776720 0.97023261202089 0.71594350847175 121.760 > 6 24 Sb 0.64355797776720 0.97023261202089 0.71594350847175 121.760 > 6 25 Sb 0.35644202223280 0.02976738797911 0.28405649152825 121.760 > 7 26 Sb 0.85644202223280 0.02976738797911 0.28405649152825 121.760 > 7 27 Sb 0.35644202223280 0.02976738797911 0.78405649152825 121.760 > 7 28 Sb 0.85644202223280 0.02976738797911 0.78405649152825 121.760 > 7 29 Sb 0.04407437255311 0.76133773109395 0.30694186810125 121.760 > 8 30 Sb 0.54407437255311 0.76133773109395 0.30694186810125 121.760 > 8 31 Sb 0.04407437255311 0.76133773109395 0.80694186810125 121.760 > 8 32 Sb 0.54407437255311 0.76133773109395 0.80694186810125 121.760 > 8 33 Sb 0.25427460718114 0.68226518305574 0.36673583429328 121.760 > 9 34 Sb 0.75427460718114 0.68226518305574 0.36673583429328 121.760 > 9 35 Sb 0.25427460718114 0.68226518305574 0.86673583429328 121.760 > 9 36 Sb 0.75427460718114 0.68226518305574 0.86673583429328 121.760 > 9 37 Sb 0.24572539281886 0.18226518305574 0.38326416570672 121.760 > 10 38 Sb 0.74572539281886 0.18226518305574 0.38326416570672 121.760 > 10 39 Sb 0.24572539281886 0.18226518305574 0.88326416570672 121.760 > 10 40 Sb 0.74572539281886 0.18226518305574 0.88326416570672 121.760 > 10 41 Sb 0.45592562744689 0.26133773109395 0.44305813189875 121.760 > 11 42 Sb 0.95592562744689 0.26133773109395 0.44305813189875 121.760 > 11 43 Sb 0.45592562744689 0.26133773109395 0.94305813189875 121.760 > 11 44 Sb 0.95592562744689 0.26133773109395 0.94305813189875 121.760 > 11 45 Sb 0.14355797776720 0.52976738797911 0.46594350847175 121.760 > 12 46 Sb 0.64355797776720 0.52976738797911 0.46594350847175 121.760 > 12 47 Sb 0.14355797776720 0.52976738797911 0.96594350847175 121.760 > 12 48 Sb 0.64355797776720 0.52976738797911 0.96594350847175 121.760 > 12 *49 Br 0.44332091645824 0.10292614270313 0.04142900127323 79.904 > 13 50 Br 0.94332091645824 0.10292614270313 0.04142900127323 79.904 > 13 51 Br 0.44332091645824 0.10292614270313 0.54142900127323 79.904 > 13 52 Br 0.94332091645824 0.10292614270313 0.54142900127323 79.904 > 13 *53 Br 0.19298639133895 0.13129958861401 0.05630693000362 79.904 > 14 54 Br 0.69298639133895 0.13129958861401 0.05630693000362 79.904 > 14 55 Br 0.19298639133895 0.13129958861401 0.55630693000362 79.904 > 14 56 Br 0.69298639133895 0.13129958861401 0.55630693000362 79.904 > 14 *57 Br 0.05437897984404 0.39318963583484 0.08208989811231 79.904 > 15 58 Br 0.55437897984404 0.39318963583484 0.08208989811231 79.904 > 15 59 Br 0.05437897984404 0.39318963583484 0.58208989811231 79.904 > 15 60 Br 0.55437897984404 0.39318963583484 0.58208989811231 79.904 > 15 61 Br 0.44562102015596 0.89318963583484 0.16791010188769 79.904 > 16 62 Br 0.94562102015596 0.89318963583484 0.16791010188769 79.904 > 16 63 Br 0.44562102015596 0.89318963583484 0.66791010188769 79.904 > 16 64 Br 0.94562102015596 0.89318963583484 0.66791010188769 79.904 > 16 65 Br 0.30701360866105 0.63129958861401 0.19369306999638 79.904 > 17 66 Br 0.80701360866105 0.63129958861401 0.19369306999638 79.904 > 17 67 Br 0.30701360866105 0.63129958861401 0.69369306999638 79.904 > 17 68 Br 0.80701360866105 0.63129958861401 0.69369306999638 79.904 > 17 69 Br 0.05667908354176 0.60292614270313 0.20857099872677 79.904 > 18 70 Br 0.55667908354176 0.60292614270313 0.20857099872677 79.904 > 18 71 Br 0.05667908354176 0.60292614270313 0.70857099872677 79.904 > 18 72 Br 0.55667908354176 0.60292614270313 0.70857099872677 79.904 > 18 73 Br 0.44332091645824 0.39707385729687 0.29142900127323 79.904 > 19 74 Br 0.94332091645824 0.39707385729687 0.29142900127323 79.904 > 19 75 Br 0.44332091645824 0.39707385729687 0.79142900127323 79.904 > 19 76 Br 0.94332091645824 0.39707385729687 0.79142900127323 79.904 > 19 77 Br 0.19298639133895 0.36870041138599 0.30630693000362 79.904 > 20 78 Br 0.69298639133895 0.36870041138599 0.30630693000362 79.904 > 20 79 Br 0.19298639133895 0.36870041138599 0.80630693000362 79.904 > 20 80 Br 0.69298639133895 0.36870041138599 0.80630693000362 79.904 > 20 81 Br 0.05437897984404 0.10681036416516 0.33208989811231 79.904 > 21 82 Br 0.55437897984404 0.10681036416516 0.33208989811231 79.904 > 21 83 Br 0.05437897984404 0.10681036416516 0.83208989811231 79.904 > 21 84 Br 0.55437897984404 0.10681036416516 0.83208989811231 79.904 > 21 85 Br 0.44562102015596 0.60681036416516 0.41791010188769 79.904 > 22 86 Br 0.94562102015596 0.60681036416516 0.41791010188769 79.904 > 22 87 Br 0.44562102015596 0.60681036416516 0.91791010188769 79.904 > 22 88 Br 0.94562102015596 0.60681036416516 0.91791010188769 79.904 > 22 89 Br 0.30701360866105 0.86870041138599 0.44369306999638 79.904 > 23 90 Br 0.80701360866105 0.86870041138599 0.44369306999638 79.904 > 23 91 Br 0.30701360866105 0.86870041138599 0.94369306999638 79.904 > 23 92 Br 0.80701360866105 0.86870041138599 0.94369306999638 79.904 > 23 93 Br 0.05667908354176 0.89707385729687 0.45857099872677 79.904 > 24 94 Br 0.55667908354176 0.89707385729687 0.45857099872677 79.904 > 24 95 Br 0.05667908354176 0.89707385729687 0.95857099872677 79.904 > 24 96 Br 0.55667908354176 0.89707385729687 0.95857099872677 79.904 > 24 *97 O 0.23708499349157 0.42545879941114 0.04397713839253 15.999 > 25 98 O 0.73708499349157 0.42545879941114 0.04397713839253 15.999 > 25 99 O 0.23708499349157 0.42545879941114 0.54397713839253 15.999 > 25 100 O 0.73708499349157 0.42545879941114 0.54397713839253 15.999 > 25 *101 O 0.14658739348027 0.65652156864886 0.04037952352964 15.999 > 26 102 O 0.64658739348027 0.65652156864886 0.04037952352964 15.999 > 26 103 O 0.14658739348027 0.65652156864886 0.54037952352964 15.999 > 26 104 O 0.64658739348027 0.65652156864886 0.54037952352964 15.999 > 26 *105 O 0.36488799466754 0.33024168437890 0.11993942496963 15.999 > 27 106 O 0.86488799466754 0.33024168437890 0.11993942496963 15.999 > 27 107 O 0.36488799466754 0.33024168437890 0.61993942496963 15.999 > 27 108 O 0.86488799466754 0.33024168437890 0.61993942496963 15.999 > 27 109 O 0.13511200533246 0.83024168437890 0.13006057503037 15.999 > 28 110 O 0.63511200533246 0.83024168437890 0.13006057503037 15.999 > 28 111 O 0.13511200533246 0.83024168437890 0.63006057503037 15.999 > 28 112 O 0.63511200533246 0.83024168437890 0.63006057503037 15.999 > 28 113 O 0.35341260651973 0.15652156864886 0.20962047647036 15.999 > 29 114 O 0.85341260651973 0.15652156864886 0.20962047647036 15.999 > 29 115 O 0.35341260651973 0.15652156864886 0.70962047647036 15.999 > 29 116 O 0.85341260651973 0.15652156864886 0.70962047647036 15.999 > 29 117 O 0.26291500650843 0.92545879941114 0.20602286160747 15.999 > 30 118 O 0.76291500650843 0.92545879941114 0.20602286160747 15.999 > 30 119 O 0.26291500650843 0.92545879941114 0.70602286160747 15.999 > 30 120 O 0.76291500650843 0.92545879941114 0.70602286160747 15.999 > 30 121 O 0.23708499349157 0.07454120058886 0.29397713839253 15.999 > 31 122 O 0.73708499349157 0.07454120058886 0.29397713839253 15.999 > 31 123 O 0.23708499349157 0.07454120058886 0.79397713839253 15.999 > 31 124 O 0.73708499349157 0.07454120058886 0.79397713839253 15.999 > 31 125 O 0.14658739348027 0.84347843135114 0.29037952352964 15.999 > 32 126 O 0.64658739348027 0.84347843135114 0.29037952352964 15.999 > 32 127 O 0.14658739348027 0.84347843135114 0.79037952352964 15.999 > 32 128 O 0.64658739348027 0.84347843135114 0.79037952352964 15.999 > 32 129 O 0.36488799466754 0.16975831562110 0.36993942496963 15.999 > 33 130 O 0.86488799466754 0.16975831562110 0.36993942496963 15.999 > 33 131 O 0.36488799466754 0.16975831562110 0.86993942496963 15.999 > 33 132 O 0.86488799466754 0.16975831562110 0.86993942496963 15.999 > 33 133 O 0.13511200533246 0.66975831562110 0.38006057503037 15.999 > 34 134 O 0.63511200533246 0.66975831562110 0.38006057503037 15.999 > 34 135 O 0.13511200533246 0.66975831562110 0.88006057503037 15.999 > 34 136 O 0.63511200533246 0.66975831562110 0.88006057503037 15.999 > 34 137 O 0.35341260651973 0.34347843135114 0.45962047647036 15.999 > 35 138 O 0.85341260651973 0.34347843135114 0.45962047647036 15.999 > 35 139 O 0.35341260651973 0.34347843135114 0.95962047647036 15.999 > 35 140 O 0.85341260651973 0.34347843135114 0.95962047647036 15.999 > 35 141 O 0.26291500650843 0.57454120058886 0.45602286160747 15.999 > 36 142 O 0.76291500650843 0.57454120058886 0.45602286160747 15.999 > 36 143 O 0.26291500650843 0.57454120058886 0.95602286160747 15.999 > 36 144 O 0.76291500650843 0.57454120058886 0.95602286160747 15.999 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2316217 0.0000000 0.0586972 0.0000000 5.4551337 0.0000000 0.0586991 0.0000000 5.8675319 -------------------------- Born effective charges -------------------------- 1 Sb 4.5465851 -0.1487140 -0.2956757 -0.5076292 4.2816197 -0.8701770 -0.2865982 -1.0838253 4.0733850 2 Sb 3.4898207 0.5278714 0.2698029 0.0748429 3.3323422 0.4330833 0.1958018 -0.0288634 5.5807122 3 Sb 4.4648843 -0.0078710 0.1508287 -0.0287394 3.7351990 0.5838594 0.8485267 0.5766840 3.1344853 4 Sb 4.4648843 0.0078710 0.1508287 0.0287394 3.7351990 -0.5838594 0.8485267 -0.5766840 3.1344853 5 Sb 3.4898207 -0.5278714 0.2698029 -0.0748429 3.3323422 -0.4330833 0.1958018 0.0288634 5.5807122 6 Sb 4.5465851 0.1487140 -0.2956757 0.5076292 4.2816197 0.8701770 -0.2865982 1.0838253 4.0733850 7 Sb 4.5465851 0.1487140 -0.2956757 0.5076292 4.2816197 0.8701770 -0.2865982 1.0838253 4.0733850 8 Sb 3.4898207 -0.5278714 0.2698029 -0.0748429 3.3323422 -0.4330833 0.1958018 0.0288634 5.5807122 9 Sb 4.4648843 0.0078710 0.1508287 0.0287394 3.7351990 -0.5838594 0.8485267 -0.5766840 3.1344853 10 Sb 4.4648843 -0.0078710 0.1508287 -0.0287394 3.7351990 0.5838594 0.8485267 0.5766840 3.1344853 11 Sb 3.4898207 0.5278714 0.2698029 0.0748429 3.3323422 0.4330833 0.1958018 -0.0288634 5.5807122 12 Sb 4.5465851 -0.1487140 -0.2956757 -0.5076292 4.2816197 -0.8701770 -0.2865982 -1.0838253 4.0733850 13 Br -0.6085962 -0.1366300 0.2358666 -0.3752748 -1.0364561 0.1454430 0.5199943 0.4633621 -2.2928954 14 Br -0.5000552 -0.2203121 -0.0083105 -0.1402400 -1.6782447 -0.5256715 0.1414402 -0.3234245 -1.1183945 15 Br -2.5422105 -0.1528801 -0.2708741 -0.1392769 -1.4085541 -0.0201756 -0.2245613 -0.0974802 -2.0435552 16 Br -2.5422105 0.1528801 -0.2708741 0.1392769 -1.4085541 0.0201756 -0.2245613 0.0974802 -2.0435552 17 Br -0.5000552 0.2203121 -0.0083105 0.1402400 -1.6782447 0.5256715 0.1414402 0.3234245 -1.1183945 18 Br -0.6085962 0.1366300 0.2358666 0.3752748 -1.0364561 -0.1454430 0.5199943 -0.4633621 -2.2928954 19 Br -0.6085962 0.1366300 0.2358666 0.3752748 -1.0364561 -0.1454430 0.5199943 -0.4633621 -2.2928954 20 Br -0.5000552 0.2203121 -0.0083105 0.1402400 -1.6782447 0.5256715 0.1414402 0.3234245 -1.1183945 21 Br -2.5422105 0.1528801 -0.2708741 0.1392769 -1.4085541 0.0201756 -0.2245613 0.0974802 -2.0435552 22 Br -2.5422105 -0.1528801 -0.2708741 -0.1392769 -1.4085541 -0.0201756 -0.2245613 -0.0974802 -2.0435552 23 Br -0.5000552 -0.2203121 -0.0083105 -0.1402400 -1.6782447 -0.5256715 0.1414402 -0.3234245 -1.1183945 24 Br -0.6085962 -0.1366300 0.2358666 -0.3752748 -1.0364561 0.1454430 0.5199943 0.4633621 -2.2928954 25 O -3.1569937 -0.2214958 -0.4434244 0.2931694 -2.3410309 1.9310011 -0.0489182 1.4248273 -2.5169418 26 O -2.2962429 0.4881758 0.3143244 0.7682952 -2.7900407 -1.3430842 0.0400849 -1.3635217 -2.0321539 27 O -3.3971917 0.1075416 0.0474622 0.4285623 -2.0948344 1.3264310 -1.1857703 1.7198597 -2.7846418 28 O -3.3971917 -0.1075416 0.0474622 -0.4285623 -2.0948344 -1.3264310 -1.1857703 -1.7198597 -2.7846418 29 O -2.2962429 -0.4881758 0.3143244 -0.7682952 -2.7900407 1.3430842 0.0400849 1.3635217 -2.0321539 30 O -3.1569937 0.2214958 -0.4434244 -0.2931694 -2.3410309 -1.9310011 -0.0489182 -1.4248273 -2.5169418 31 O -3.1569937 0.2214958 -0.4434244 -0.2931694 -2.3410309 -1.9310011 -0.0489182 -1.4248273 -2.5169418 32 O -2.2962429 -0.4881758 0.3143244 -0.7682952 -2.7900407 1.3430842 0.0400849 1.3635217 -2.0321539 33 O -3.3971917 -0.1075416 0.0474622 -0.4285623 -2.0948344 -1.3264310 -1.1857703 -1.7198597 -2.7846418 34 O -3.3971917 0.1075416 0.0474622 0.4285623 -2.0948344 1.3264310 -1.1857703 1.7198597 -2.7846418 35 O -2.2962429 0.4881758 0.3143244 0.7682952 -2.7900407 -1.3430842 0.0400849 -1.3635217 -2.0321539 36 O -3.1569937 -0.2214958 -0.4434244 0.2931694 -2.3410309 1.9310011 -0.0489182 1.4248273 -2.5169418 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 2.004 Solver_block: 200 / 1120 - Time: 1.783 Solver_block: 300 / 1120 - Time: 1.783 Solver_block: 400 / 1120 - Time: 1.790 Solver_block: 500 / 1120 - Time: 1.782 Solver_block: 600 / 1120 - Time: 1.791 Solver_block: 700 / 1120 - Time: 1.793 Solver_block: 800 / 1120 - Time: 1.790 Solver_block: 900 / 1120 - Time: 1.790 Solver_block: 1000 / 1120 - Time: 1.782 Solver_block: 1100 / 1120 - Time: 1.783 Solver_block: 1120 / 1120 - Time: 0.553 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 20.951 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 1296 / 1296 (1) 278 eigenvectors found. (1) Complementary block size: 50 (1) Compute compressed projector. (1) Use standard solver. (1) 32 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 32), data: (1296, 50) @ (50, 32) |-- (296, 278), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (500, 482), data: False |-- (500, 16), data: (500, 34) @ (34, 16) |-- (250, 234), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 00:55:11]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:55:12]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.211457730061884 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320020439999999 0.000000000000000 c -2.329652390453290 0.000000000000000 9.110278604664716 Atomic positions (fractional): 1 Sb 0.71288404446560 0.47023261202089 0.06811298305650 121.760 2 Sb 0.08814874510622 0.73866226890605 0.11388373620250 121.760 3 Sb 0.50854921436228 0.81773481694426 0.23347166858656 121.760 4 Sb 0.49145078563772 0.31773481694426 0.26652833141344 121.760 5 Sb 0.91185125489378 0.23866226890605 0.38611626379750 121.760 6 Sb 0.28711595553440 0.97023261202089 0.43188701694350 121.760 7 Sb 0.71288404446560 0.02976738797911 0.56811298305650 121.760 8 Sb 0.08814874510622 0.76133773109395 0.61388373620250 121.760 9 Sb 0.50854921436228 0.68226518305574 0.73347166858656 121.760 10 Sb 0.49145078563772 0.18226518305574 0.76652833141344 121.760 11 Sb 0.91185125489378 0.26133773109395 0.88611626379750 121.760 12 Sb 0.28711595553440 0.52976738797911 0.93188701694350 121.760 13 Br 0.88664183291647 0.10292614270313 0.08285800254647 79.904 14 Br 0.38597278267789 0.13129958861401 0.11261386000725 79.904 15 Br 0.10875795968807 0.39318963583484 0.16417979622461 79.904 16 Br 0.89124204031193 0.89318963583484 0.33582020377539 79.904 17 Br 0.61402721732211 0.63129958861401 0.38738613999275 79.904 18 Br 0.11335816708353 0.60292614270313 0.41714199745353 79.904 19 Br 0.88664183291647 0.39707385729687 0.58285800254647 79.904 20 Br 0.38597278267789 0.36870041138599 0.61261386000725 79.904 21 Br 0.10875795968807 0.10681036416516 0.66417979622461 79.904 22 Br 0.89124204031193 0.60681036416516 0.83582020377539 79.904 23 Br 0.61402721732211 0.86870041138599 0.88738613999275 79.904 24 Br 0.11335816708353 0.89707385729687 0.91714199745353 79.904 25 O 0.47416998698314 0.42545879941114 0.08795427678506 15.999 26 O 0.29317478696054 0.65652156864886 0.08075904705928 15.999 27 O 0.72977598933509 0.33024168437890 0.23987884993926 15.999 28 O 0.27022401066491 0.83024168437890 0.26012115006074 15.999 29 O 0.70682521303946 0.15652156864886 0.41924095294072 15.999 30 O 0.52583001301686 0.92545879941114 0.41204572321494 15.999 31 O 0.47416998698314 0.07454120058886 0.58795427678506 15.999 32 O 0.29317478696054 0.84347843135114 0.58075904705928 15.999 33 O 0.72977598933509 0.16975831562110 0.73987884993926 15.999 34 O 0.27022401066491 0.66975831562110 0.76012115006074 15.999 35 O 0.70682521303946 0.34347843135114 0.91924095294072 15.999 36 O 0.52583001301686 0.57454120058886 0.91204572321494 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.422915460123768 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320020439999999 0.000000000000000 c -4.659304780906580 0.000000000000000 18.220557209329431 Atomic positions (fractional): 1 Sb 0.35644202223280 0.47023261202089 0.03405649152825 121.760 > 1 2 Sb 0.85644202223280 0.47023261202089 0.03405649152825 121.760 > 1 3 Sb 0.35644202223280 0.47023261202089 0.53405649152825 121.760 > 1 4 Sb 0.85644202223280 0.47023261202089 0.53405649152825 121.760 > 1 5 Sb 0.04407437255311 0.73866226890605 0.05694186810125 121.760 > 5 6 Sb 0.54407437255311 0.73866226890605 0.05694186810125 121.760 > 5 7 Sb 0.04407437255311 0.73866226890605 0.55694186810125 121.760 > 5 8 Sb 0.54407437255311 0.73866226890605 0.55694186810125 121.760 > 5 9 Sb 0.25427460718114 0.81773481694426 0.11673583429328 121.760 > 9 10 Sb 0.75427460718114 0.81773481694426 0.11673583429328 121.760 > 9 11 Sb 0.25427460718114 0.81773481694426 0.61673583429328 121.760 > 9 12 Sb 0.75427460718114 0.81773481694426 0.61673583429328 121.760 > 9 13 Sb 0.24572539281886 0.31773481694426 0.13326416570672 121.760 > 13 14 Sb 0.74572539281886 0.31773481694426 0.13326416570672 121.760 > 13 15 Sb 0.24572539281886 0.31773481694426 0.63326416570672 121.760 > 13 16 Sb 0.74572539281886 0.31773481694426 0.63326416570672 121.760 > 13 17 Sb 0.45592562744689 0.23866226890605 0.19305813189875 121.760 > 17 18 Sb 0.95592562744689 0.23866226890605 0.19305813189875 121.760 > 17 19 Sb 0.45592562744689 0.23866226890605 0.69305813189875 121.760 > 17 20 Sb 0.95592562744689 0.23866226890605 0.69305813189875 121.760 > 17 21 Sb 0.14355797776720 0.97023261202089 0.21594350847175 121.760 > 21 22 Sb 0.64355797776720 0.97023261202089 0.21594350847175 121.760 > 21 23 Sb 0.14355797776720 0.97023261202089 0.71594350847175 121.760 > 21 24 Sb 0.64355797776720 0.97023261202089 0.71594350847175 121.760 > 21 25 Sb 0.35644202223280 0.02976738797911 0.28405649152825 121.760 > 25 26 Sb 0.85644202223280 0.02976738797911 0.28405649152825 121.760 > 25 27 Sb 0.35644202223280 0.02976738797911 0.78405649152825 121.760 > 25 28 Sb 0.85644202223280 0.02976738797911 0.78405649152825 121.760 > 25 29 Sb 0.04407437255311 0.76133773109395 0.30694186810125 121.760 > 29 30 Sb 0.54407437255311 0.76133773109395 0.30694186810125 121.760 > 29 31 Sb 0.04407437255311 0.76133773109395 0.80694186810125 121.760 > 29 32 Sb 0.54407437255311 0.76133773109395 0.80694186810125 121.760 > 29 33 Sb 0.25427460718114 0.68226518305574 0.36673583429328 121.760 > 33 34 Sb 0.75427460718114 0.68226518305574 0.36673583429328 121.760 > 33 35 Sb 0.25427460718114 0.68226518305574 0.86673583429328 121.760 > 33 36 Sb 0.75427460718114 0.68226518305574 0.86673583429328 121.760 > 33 37 Sb 0.24572539281886 0.18226518305574 0.38326416570672 121.760 > 37 38 Sb 0.74572539281886 0.18226518305574 0.38326416570672 121.760 > 37 39 Sb 0.24572539281886 0.18226518305574 0.88326416570672 121.760 > 37 40 Sb 0.74572539281886 0.18226518305574 0.88326416570672 121.760 > 37 41 Sb 0.45592562744689 0.26133773109395 0.44305813189875 121.760 > 41 42 Sb 0.95592562744689 0.26133773109395 0.44305813189875 121.760 > 41 43 Sb 0.45592562744689 0.26133773109395 0.94305813189875 121.760 > 41 44 Sb 0.95592562744689 0.26133773109395 0.94305813189875 121.760 > 41 45 Sb 0.14355797776720 0.52976738797911 0.46594350847175 121.760 > 45 46 Sb 0.64355797776720 0.52976738797911 0.46594350847175 121.760 > 45 47 Sb 0.14355797776720 0.52976738797911 0.96594350847175 121.760 > 45 48 Sb 0.64355797776720 0.52976738797911 0.96594350847175 121.760 > 45 49 Br 0.44332091645824 0.10292614270313 0.04142900127323 79.904 > 49 50 Br 0.94332091645824 0.10292614270313 0.04142900127323 79.904 > 49 51 Br 0.44332091645824 0.10292614270313 0.54142900127323 79.904 > 49 52 Br 0.94332091645824 0.10292614270313 0.54142900127323 79.904 > 49 53 Br 0.19298639133895 0.13129958861401 0.05630693000362 79.904 > 53 54 Br 0.69298639133895 0.13129958861401 0.05630693000362 79.904 > 53 55 Br 0.19298639133895 0.13129958861401 0.55630693000362 79.904 > 53 56 Br 0.69298639133895 0.13129958861401 0.55630693000362 79.904 > 53 57 Br 0.05437897984404 0.39318963583484 0.08208989811231 79.904 > 57 58 Br 0.55437897984404 0.39318963583484 0.08208989811231 79.904 > 57 59 Br 0.05437897984404 0.39318963583484 0.58208989811231 79.904 > 57 60 Br 0.55437897984404 0.39318963583484 0.58208989811231 79.904 > 57 61 Br 0.44562102015596 0.89318963583484 0.16791010188769 79.904 > 61 62 Br 0.94562102015596 0.89318963583484 0.16791010188769 79.904 > 61 63 Br 0.44562102015596 0.89318963583484 0.66791010188769 79.904 > 61 64 Br 0.94562102015596 0.89318963583484 0.66791010188769 79.904 > 61 65 Br 0.30701360866105 0.63129958861401 0.19369306999638 79.904 > 65 66 Br 0.80701360866105 0.63129958861401 0.19369306999638 79.904 > 65 67 Br 0.30701360866105 0.63129958861401 0.69369306999638 79.904 > 65 68 Br 0.80701360866105 0.63129958861401 0.69369306999638 79.904 > 65 69 Br 0.05667908354176 0.60292614270313 0.20857099872677 79.904 > 69 70 Br 0.55667908354176 0.60292614270313 0.20857099872677 79.904 > 69 71 Br 0.05667908354176 0.60292614270313 0.70857099872677 79.904 > 69 72 Br 0.55667908354176 0.60292614270313 0.70857099872677 79.904 > 69 73 Br 0.44332091645824 0.39707385729687 0.29142900127323 79.904 > 73 74 Br 0.94332091645824 0.39707385729687 0.29142900127323 79.904 > 73 75 Br 0.44332091645824 0.39707385729687 0.79142900127323 79.904 > 73 76 Br 0.94332091645824 0.39707385729687 0.79142900127323 79.904 > 73 77 Br 0.19298639133895 0.36870041138599 0.30630693000362 79.904 > 77 78 Br 0.69298639133895 0.36870041138599 0.30630693000362 79.904 > 77 79 Br 0.19298639133895 0.36870041138599 0.80630693000362 79.904 > 77 80 Br 0.69298639133895 0.36870041138599 0.80630693000362 79.904 > 77 81 Br 0.05437897984404 0.10681036416516 0.33208989811231 79.904 > 81 82 Br 0.55437897984404 0.10681036416516 0.33208989811231 79.904 > 81 83 Br 0.05437897984404 0.10681036416516 0.83208989811231 79.904 > 81 84 Br 0.55437897984404 0.10681036416516 0.83208989811231 79.904 > 81 85 Br 0.44562102015596 0.60681036416516 0.41791010188769 79.904 > 85 86 Br 0.94562102015596 0.60681036416516 0.41791010188769 79.904 > 85 87 Br 0.44562102015596 0.60681036416516 0.91791010188769 79.904 > 85 88 Br 0.94562102015596 0.60681036416516 0.91791010188769 79.904 > 85 89 Br 0.30701360866105 0.86870041138599 0.44369306999638 79.904 > 89 90 Br 0.80701360866105 0.86870041138599 0.44369306999638 79.904 > 89 91 Br 0.30701360866105 0.86870041138599 0.94369306999638 79.904 > 89 92 Br 0.80701360866105 0.86870041138599 0.94369306999638 79.904 > 89 93 Br 0.05667908354176 0.89707385729687 0.45857099872677 79.904 > 93 94 Br 0.55667908354176 0.89707385729687 0.45857099872677 79.904 > 93 95 Br 0.05667908354176 0.89707385729687 0.95857099872677 79.904 > 93 96 Br 0.55667908354176 0.89707385729687 0.95857099872677 79.904 > 93 97 O 0.23708499349157 0.42545879941114 0.04397713839253 15.999 > 97 98 O 0.73708499349157 0.42545879941114 0.04397713839253 15.999 > 97 99 O 0.23708499349157 0.42545879941114 0.54397713839253 15.999 > 97 100 O 0.73708499349157 0.42545879941114 0.54397713839253 15.999 > 97 101 O 0.14658739348027 0.65652156864886 0.04037952352964 15.999 > 101 102 O 0.64658739348027 0.65652156864886 0.04037952352964 15.999 > 101 103 O 0.14658739348027 0.65652156864886 0.54037952352964 15.999 > 101 104 O 0.64658739348027 0.65652156864886 0.54037952352964 15.999 > 101 105 O 0.36488799466754 0.33024168437890 0.11993942496963 15.999 > 105 106 O 0.86488799466754 0.33024168437890 0.11993942496963 15.999 > 105 107 O 0.36488799466754 0.33024168437890 0.61993942496963 15.999 > 105 108 O 0.86488799466754 0.33024168437890 0.61993942496963 15.999 > 105 109 O 0.13511200533246 0.83024168437890 0.13006057503037 15.999 > 109 110 O 0.63511200533246 0.83024168437890 0.13006057503037 15.999 > 109 111 O 0.13511200533246 0.83024168437890 0.63006057503037 15.999 > 109 112 O 0.63511200533246 0.83024168437890 0.63006057503037 15.999 > 109 113 O 0.35341260651973 0.15652156864886 0.20962047647036 15.999 > 113 114 O 0.85341260651973 0.15652156864886 0.20962047647036 15.999 > 113 115 O 0.35341260651973 0.15652156864886 0.70962047647036 15.999 > 113 116 O 0.85341260651973 0.15652156864886 0.70962047647036 15.999 > 113 117 O 0.26291500650843 0.92545879941114 0.20602286160747 15.999 > 117 118 O 0.76291500650843 0.92545879941114 0.20602286160747 15.999 > 117 119 O 0.26291500650843 0.92545879941114 0.70602286160747 15.999 > 117 120 O 0.76291500650843 0.92545879941114 0.70602286160747 15.999 > 117 121 O 0.23708499349157 0.07454120058886 0.29397713839253 15.999 > 121 122 O 0.73708499349157 0.07454120058886 0.29397713839253 15.999 > 121 123 O 0.23708499349157 0.07454120058886 0.79397713839253 15.999 > 121 124 O 0.73708499349157 0.07454120058886 0.79397713839253 15.999 > 121 125 O 0.14658739348027 0.84347843135114 0.29037952352964 15.999 > 125 126 O 0.64658739348027 0.84347843135114 0.29037952352964 15.999 > 125 127 O 0.14658739348027 0.84347843135114 0.79037952352964 15.999 > 125 128 O 0.64658739348027 0.84347843135114 0.79037952352964 15.999 > 125 129 O 0.36488799466754 0.16975831562110 0.36993942496963 15.999 > 129 130 O 0.86488799466754 0.16975831562110 0.36993942496963 15.999 > 129 131 O 0.36488799466754 0.16975831562110 0.86993942496963 15.999 > 129 132 O 0.86488799466754 0.16975831562110 0.86993942496963 15.999 > 129 133 O 0.13511200533246 0.66975831562110 0.38006057503037 15.999 > 133 134 O 0.63511200533246 0.66975831562110 0.38006057503037 15.999 > 133 135 O 0.13511200533246 0.66975831562110 0.88006057503037 15.999 > 133 136 O 0.63511200533246 0.66975831562110 0.88006057503037 15.999 > 133 137 O 0.35341260651973 0.34347843135114 0.45962047647036 15.999 > 137 138 O 0.85341260651973 0.34347843135114 0.45962047647036 15.999 > 137 139 O 0.35341260651973 0.34347843135114 0.95962047647036 15.999 > 137 140 O 0.85341260651973 0.34347843135114 0.95962047647036 15.999 > 137 141 O 0.26291500650843 0.57454120058886 0.45602286160747 15.999 > 141 142 O 0.76291500650843 0.57454120058886 0.45602286160747 15.999 > 141 143 O 0.26291500650843 0.57454120058886 0.95602286160747 15.999 > 141 144 O 0.76291500650843 0.57454120058886 0.95602286160747 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.2316217 0.0000000 0.0586972 0.0000000 5.4551337 0.0000000 0.0586991 0.0000000 5.8675319 -------------------------- Born effective charges -------------------------- 1 Sb 4.5465851 -0.1487140 -0.2956757 -0.5076292 4.2816197 -0.8701770 -0.2865982 -1.0838253 4.0733850 2 Sb 3.4898207 0.5278714 0.2698029 0.0748429 3.3323422 0.4330833 0.1958018 -0.0288634 5.5807122 3 Sb 4.4648843 -0.0078710 0.1508287 -0.0287394 3.7351990 0.5838594 0.8485267 0.5766840 3.1344853 4 Sb 4.4648843 0.0078710 0.1508287 0.0287394 3.7351990 -0.5838594 0.8485267 -0.5766840 3.1344853 5 Sb 3.4898207 -0.5278714 0.2698029 -0.0748429 3.3323422 -0.4330833 0.1958018 0.0288634 5.5807122 6 Sb 4.5465851 0.1487140 -0.2956757 0.5076292 4.2816197 0.8701770 -0.2865982 1.0838253 4.0733850 7 Sb 4.5465851 0.1487140 -0.2956757 0.5076292 4.2816197 0.8701770 -0.2865982 1.0838253 4.0733850 8 Sb 3.4898207 -0.5278714 0.2698029 -0.0748429 3.3323422 -0.4330833 0.1958018 0.0288634 5.5807122 9 Sb 4.4648843 0.0078710 0.1508287 0.0287394 3.7351990 -0.5838594 0.8485267 -0.5766840 3.1344853 10 Sb 4.4648843 -0.0078710 0.1508287 -0.0287394 3.7351990 0.5838594 0.8485267 0.5766840 3.1344853 11 Sb 3.4898207 0.5278714 0.2698029 0.0748429 3.3323422 0.4330833 0.1958018 -0.0288634 5.5807122 12 Sb 4.5465851 -0.1487140 -0.2956757 -0.5076292 4.2816197 -0.8701770 -0.2865982 -1.0838253 4.0733850 13 Br -0.6085962 -0.1366300 0.2358666 -0.3752748 -1.0364561 0.1454430 0.5199943 0.4633621 -2.2928954 14 Br -0.5000552 -0.2203121 -0.0083105 -0.1402400 -1.6782447 -0.5256715 0.1414402 -0.3234245 -1.1183945 15 Br -2.5422105 -0.1528801 -0.2708741 -0.1392769 -1.4085541 -0.0201756 -0.2245613 -0.0974802 -2.0435552 16 Br -2.5422105 0.1528801 -0.2708741 0.1392769 -1.4085541 0.0201756 -0.2245613 0.0974802 -2.0435552 17 Br -0.5000552 0.2203121 -0.0083105 0.1402400 -1.6782447 0.5256715 0.1414402 0.3234245 -1.1183945 18 Br -0.6085962 0.1366300 0.2358666 0.3752748 -1.0364561 -0.1454430 0.5199943 -0.4633621 -2.2928954 19 Br -0.6085962 0.1366300 0.2358666 0.3752748 -1.0364561 -0.1454430 0.5199943 -0.4633621 -2.2928954 20 Br -0.5000552 0.2203121 -0.0083105 0.1402400 -1.6782447 0.5256715 0.1414402 0.3234245 -1.1183945 21 Br -2.5422105 0.1528801 -0.2708741 0.1392769 -1.4085541 0.0201756 -0.2245613 0.0974802 -2.0435552 22 Br -2.5422105 -0.1528801 -0.2708741 -0.1392769 -1.4085541 -0.0201756 -0.2245613 -0.0974802 -2.0435552 23 Br -0.5000552 -0.2203121 -0.0083105 -0.1402400 -1.6782447 -0.5256715 0.1414402 -0.3234245 -1.1183945 24 Br -0.6085962 -0.1366300 0.2358666 -0.3752748 -1.0364561 0.1454430 0.5199943 0.4633621 -2.2928954 25 O -3.1569937 -0.2214958 -0.4434244 0.2931694 -2.3410309 1.9310011 -0.0489182 1.4248273 -2.5169418 26 O -2.2962429 0.4881758 0.3143244 0.7682952 -2.7900407 -1.3430842 0.0400849 -1.3635217 -2.0321539 27 O -3.3971917 0.1075416 0.0474622 0.4285623 -2.0948344 1.3264310 -1.1857703 1.7198597 -2.7846418 28 O -3.3971917 -0.1075416 0.0474622 -0.4285623 -2.0948344 -1.3264310 -1.1857703 -1.7198597 -2.7846418 29 O -2.2962429 -0.4881758 0.3143244 -0.7682952 -2.7900407 1.3430842 0.0400849 1.3635217 -2.0321539 30 O -3.1569937 0.2214958 -0.4434244 -0.2931694 -2.3410309 -1.9310011 -0.0489182 -1.4248273 -2.5169418 31 O -3.1569937 0.2214958 -0.4434244 -0.2931694 -2.3410309 -1.9310011 -0.0489182 -1.4248273 -2.5169418 32 O -2.2962429 -0.4881758 0.3143244 -0.7682952 -2.7900407 1.3430842 0.0400849 1.3635217 -2.0321539 33 O -3.3971917 -0.1075416 0.0474622 -0.4285623 -2.0948344 -1.3264310 -1.1857703 -1.7198597 -2.7846418 34 O -3.3971917 0.1075416 0.0474622 0.4285623 -2.0948344 1.3264310 -1.1857703 1.7198597 -2.7846418 35 O -2.2962429 0.4881758 0.3143244 0.7682952 -2.7900407 -1.3430842 0.0400849 -1.3635217 -2.0321539 36 O -3.1569937 -0.2214958 -0.4434244 0.2931694 -2.3410309 1.9310011 -0.0489182 1.4248273 -2.5169418 ---------------------------------------------------------------------------- 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 101, 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (xz) -0.00000000 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 00:56:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 00:56:16]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.211457730061884 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320020439999999 0.000000000000000 c -2.329652390453290 0.000000000000000 9.110278604664716 Atomic positions (fractional): 1 Sb 0.71288404446560 0.47023261202089 0.06811298305650 121.760 2 Sb 0.08814874510622 0.73866226890605 0.11388373620250 121.760 3 Sb 0.50854921436228 0.81773481694426 0.23347166858656 121.760 4 Sb 0.49145078563772 0.31773481694426 0.26652833141344 121.760 5 Sb 0.91185125489378 0.23866226890605 0.38611626379750 121.760 6 Sb 0.28711595553440 0.97023261202089 0.43188701694350 121.760 7 Sb 0.71288404446560 0.02976738797911 0.56811298305650 121.760 8 Sb 0.08814874510622 0.76133773109395 0.61388373620250 121.760 9 Sb 0.50854921436228 0.68226518305574 0.73347166858656 121.760 10 Sb 0.49145078563772 0.18226518305574 0.76652833141344 121.760 11 Sb 0.91185125489378 0.26133773109395 0.88611626379750 121.760 12 Sb 0.28711595553440 0.52976738797911 0.93188701694350 121.760 13 Br 0.88664183291647 0.10292614270313 0.08285800254647 79.904 14 Br 0.38597278267789 0.13129958861401 0.11261386000725 79.904 15 Br 0.10875795968807 0.39318963583484 0.16417979622461 79.904 16 Br 0.89124204031193 0.89318963583484 0.33582020377539 79.904 17 Br 0.61402721732211 0.63129958861401 0.38738613999275 79.904 18 Br 0.11335816708353 0.60292614270313 0.41714199745353 79.904 19 Br 0.88664183291647 0.39707385729687 0.58285800254647 79.904 20 Br 0.38597278267789 0.36870041138599 0.61261386000725 79.904 21 Br 0.10875795968807 0.10681036416516 0.66417979622461 79.904 22 Br 0.89124204031193 0.60681036416516 0.83582020377539 79.904 23 Br 0.61402721732211 0.86870041138599 0.88738613999275 79.904 24 Br 0.11335816708353 0.89707385729687 0.91714199745353 79.904 25 O 0.47416998698314 0.42545879941114 0.08795427678506 15.999 26 O 0.29317478696054 0.65652156864886 0.08075904705928 15.999 27 O 0.72977598933509 0.33024168437890 0.23987884993926 15.999 28 O 0.27022401066491 0.83024168437890 0.26012115006074 15.999 29 O 0.70682521303946 0.15652156864886 0.41924095294072 15.999 30 O 0.52583001301686 0.92545879941114 0.41204572321494 15.999 31 O 0.47416998698314 0.07454120058886 0.58795427678506 15.999 32 O 0.29317478696054 0.84347843135114 0.58075904705928 15.999 33 O 0.72977598933509 0.16975831562110 0.73987884993926 15.999 34 O 0.27022401066491 0.66975831562110 0.76012115006074 15.999 35 O 0.70682521303946 0.34347843135114 0.91924095294072 15.999 36 O 0.52583001301686 0.57454120058886 0.91204572321494 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.422915460123768 0.000000000000000 0.000000000000000 b 0.000000000000000 11.320020439999999 0.000000000000000 c -4.659304780906580 0.000000000000000 18.220557209329431 Atomic positions (fractional): 1 Sb 0.35644202223280 0.47023261202089 0.03405649152825 121.760 > 1 2 Sb 0.85644202223280 0.47023261202089 0.03405649152825 121.760 > 1 3 Sb 0.35644202223280 0.47023261202089 0.53405649152825 121.760 > 1 4 Sb 0.85644202223280 0.47023261202089 0.53405649152825 121.760 > 1 5 Sb 0.04407437255311 0.73866226890605 0.05694186810125 121.760 > 5 6 Sb 0.54407437255311 0.73866226890605 0.05694186810125 121.760 > 5 7 Sb 0.04407437255311 0.73866226890605 0.55694186810125 121.760 > 5 8 Sb 0.54407437255311 0.73866226890605 0.55694186810125 121.760 > 5 9 Sb 0.25427460718114 0.81773481694426 0.11673583429328 121.760 > 9 10 Sb 0.75427460718114 0.81773481694426 0.11673583429328 121.760 > 9 11 Sb 0.25427460718114 0.81773481694426 0.61673583429328 121.760 > 9 12 Sb 0.75427460718114 0.81773481694426 0.61673583429328 121.760 > 9 13 Sb 0.24572539281886 0.31773481694426 0.13326416570672 121.760 > 13 14 Sb 0.74572539281886 0.31773481694426 0.13326416570672 121.760 > 13 15 Sb 0.24572539281886 0.31773481694426 0.63326416570672 121.760 > 13 16 Sb 0.74572539281886 0.31773481694426 0.63326416570672 121.760 > 13 17 Sb 0.45592562744689 0.23866226890605 0.19305813189875 121.760 > 17 18 Sb 0.95592562744689 0.23866226890605 0.19305813189875 121.760 > 17 19 Sb 0.45592562744689 0.23866226890605 0.69305813189875 121.760 > 17 20 Sb 0.95592562744689 0.23866226890605 0.69305813189875 121.760 > 17 21 Sb 0.14355797776720 0.97023261202089 0.21594350847175 121.760 > 21 22 Sb 0.64355797776720 0.97023261202089 0.21594350847175 121.760 > 21 23 Sb 0.14355797776720 0.97023261202089 0.71594350847175 121.760 > 21 24 Sb 0.64355797776720 0.97023261202089 0.71594350847175 121.760 > 21 25 Sb 0.35644202223280 0.02976738797911 0.28405649152825 121.760 > 25 26 Sb 0.85644202223280 0.02976738797911 0.28405649152825 121.760 > 25 27 Sb 0.35644202223280 0.02976738797911 0.78405649152825 121.760 > 25 28 Sb 0.85644202223280 0.02976738797911 0.78405649152825 121.760 > 25 29 Sb 0.04407437255311 0.76133773109395 0.30694186810125 121.760 > 29 30 Sb 0.54407437255311 0.76133773109395 0.30694186810125 121.760 > 29 31 Sb 0.04407437255311 0.76133773109395 0.80694186810125 121.760 > 29 32 Sb 0.54407437255311 0.76133773109395 0.80694186810125 121.760 > 29 33 Sb 0.25427460718114 0.68226518305574 0.36673583429328 121.760 > 33 34 Sb 0.75427460718114 0.68226518305574 0.36673583429328 121.760 > 33 35 Sb 0.25427460718114 0.68226518305574 0.86673583429328 121.760 > 33 36 Sb 0.75427460718114 0.68226518305574 0.86673583429328 121.760 > 33 37 Sb 0.24572539281886 0.18226518305574 0.38326416570672 121.760 > 37 38 Sb 0.74572539281886 0.18226518305574 0.38326416570672 121.760 > 37 39 Sb 0.24572539281886 0.18226518305574 0.88326416570672 121.760 > 37 40 Sb 0.74572539281886 0.18226518305574 0.88326416570672 121.760 > 37 41 Sb 0.45592562744689 0.26133773109395 0.44305813189875 121.760 > 41 42 Sb 0.95592562744689 0.26133773109395 0.44305813189875 121.760 > 41 43 Sb 0.45592562744689 0.26133773109395 0.94305813189875 121.760 > 41 44 Sb 0.95592562744689 0.26133773109395 0.94305813189875 121.760 > 41 45 Sb 0.14355797776720 0.52976738797911 0.46594350847175 121.760 > 45 46 Sb 0.64355797776720 0.52976738797911 0.46594350847175 121.760 > 45 47 Sb 0.14355797776720 0.52976738797911 0.96594350847175 121.760 > 45 48 Sb 0.64355797776720 0.52976738797911 0.96594350847175 121.760 > 45 49 Br 0.44332091645824 0.10292614270313 0.04142900127323 79.904 > 49 50 Br 0.94332091645824 0.10292614270313 0.04142900127323 79.904 > 49 51 Br 0.44332091645824 0.10292614270313 0.54142900127323 79.904 > 49 52 Br 0.94332091645824 0.10292614270313 0.54142900127323 79.904 > 49 53 Br 0.19298639133895 0.13129958861401 0.05630693000362 79.904 > 53 54 Br 0.69298639133895 0.13129958861401 0.05630693000362 79.904 > 53 55 Br 0.19298639133895 0.13129958861401 0.55630693000362 79.904 > 53 56 Br 0.69298639133895 0.13129958861401 0.55630693000362 79.904 > 53 57 Br 0.05437897984404 0.39318963583484 0.08208989811231 79.904 > 57 58 Br 0.55437897984404 0.39318963583484 0.08208989811231 79.904 > 57 59 Br 0.05437897984404 0.39318963583484 0.58208989811231 79.904 > 57 60 Br 0.55437897984404 0.39318963583484 0.58208989811231 79.904 > 57 61 Br 0.44562102015596 0.89318963583484 0.16791010188769 79.904 > 61 62 Br 0.94562102015596 0.89318963583484 0.16791010188769 79.904 > 61 63 Br 0.44562102015596 0.89318963583484 0.66791010188769 79.904 > 61 64 Br 0.94562102015596 0.89318963583484 0.66791010188769 79.904 > 61 65 Br 0.30701360866105 0.63129958861401 0.19369306999638 79.904 > 65 66 Br 0.80701360866105 0.63129958861401 0.19369306999638 79.904 > 65 67 Br 0.30701360866105 0.63129958861401 0.69369306999638 79.904 > 65 68 Br 0.80701360866105 0.63129958861401 0.69369306999638 79.904 > 65 69 Br 0.05667908354176 0.60292614270313 0.20857099872677 79.904 > 69 70 Br 0.55667908354176 0.60292614270313 0.20857099872677 79.904 > 69 71 Br 0.05667908354176 0.60292614270313 0.70857099872677 79.904 > 69 72 Br 0.55667908354176 0.60292614270313 0.70857099872677 79.904 > 69 73 Br 0.44332091645824 0.39707385729687 0.29142900127323 79.904 > 73 74 Br 0.94332091645824 0.39707385729687 0.29142900127323 79.904 > 73 75 Br 0.44332091645824 0.39707385729687 0.79142900127323 79.904 > 73 76 Br 0.94332091645824 0.39707385729687 0.79142900127323 79.904 > 73 77 Br 0.19298639133895 0.36870041138599 0.30630693000362 79.904 > 77 78 Br 0.69298639133895 0.36870041138599 0.30630693000362 79.904 > 77 79 Br 0.19298639133895 0.36870041138599 0.80630693000362 79.904 > 77 80 Br 0.69298639133895 0.36870041138599 0.80630693000362 79.904 > 77 81 Br 0.05437897984404 0.10681036416516 0.33208989811231 79.904 > 81 82 Br 0.55437897984404 0.10681036416516 0.33208989811231 79.904 > 81 83 Br 0.05437897984404 0.10681036416516 0.83208989811231 79.904 > 81 84 Br 0.55437897984404 0.10681036416516 0.83208989811231 79.904 > 81 85 Br 0.44562102015596 0.60681036416516 0.41791010188769 79.904 > 85 86 Br 0.94562102015596 0.60681036416516 0.41791010188769 79.904 > 85 87 Br 0.44562102015596 0.60681036416516 0.91791010188769 79.904 > 85 88 Br 0.94562102015596 0.60681036416516 0.91791010188769 79.904 > 85 89 Br 0.30701360866105 0.86870041138599 0.44369306999638 79.904 > 89 90 Br 0.80701360866105 0.86870041138599 0.44369306999638 79.904 > 89 91 Br 0.30701360866105 0.86870041138599 0.94369306999638 79.904 > 89 92 Br 0.80701360866105 0.86870041138599 0.94369306999638 79.904 > 89 93 Br 0.05667908354176 0.89707385729687 0.45857099872677 79.904 > 93 94 Br 0.55667908354176 0.89707385729687 0.45857099872677 79.904 > 93 95 Br 0.05667908354176 0.89707385729687 0.95857099872677 79.904 > 93 96 Br 0.55667908354176 0.89707385729687 0.95857099872677 79.904 > 93 97 O 0.23708499349157 0.42545879941114 0.04397713839253 15.999 > 97 98 O 0.73708499349157 0.42545879941114 0.04397713839253 15.999 > 97 99 O 0.23708499349157 0.42545879941114 0.54397713839253 15.999 > 97 100 O 0.73708499349157 0.42545879941114 0.54397713839253 15.999 > 97 101 O 0.14658739348027 0.65652156864886 0.04037952352964 15.999 > 101 102 O 0.64658739348027 0.65652156864886 0.04037952352964 15.999 > 101 103 O 0.14658739348027 0.65652156864886 0.54037952352964 15.999 > 101 104 O 0.64658739348027 0.65652156864886 0.54037952352964 15.999 > 101 105 O 0.36488799466754 0.33024168437890 0.11993942496963 15.999 > 105 106 O 0.86488799466754 0.33024168437890 0.11993942496963 15.999 > 105 107 O 0.36488799466754 0.33024168437890 0.61993942496963 15.999 > 105 108 O 0.86488799466754 0.33024168437890 0.61993942496963 15.999 > 105 109 O 0.13511200533246 0.83024168437890 0.13006057503037 15.999 > 109 110 O 0.63511200533246 0.83024168437890 0.13006057503037 15.999 > 109 111 O 0.13511200533246 0.83024168437890 0.63006057503037 15.999 > 109 112 O 0.63511200533246 0.83024168437890 0.63006057503037 15.999 > 109 113 O 0.35341260651973 0.15652156864886 0.20962047647036 15.999 > 113 114 O 0.85341260651973 0.15652156864886 0.20962047647036 15.999 > 113 115 O 0.35341260651973 0.15652156864886 0.70962047647036 15.999 > 113 116 O 0.85341260651973 0.15652156864886 0.70962047647036 15.999 > 113 117 O 0.26291500650843 0.92545879941114 0.20602286160747 15.999 > 117 118 O 0.76291500650843 0.92545879941114 0.20602286160747 15.999 > 117 119 O 0.26291500650843 0.92545879941114 0.70602286160747 15.999 > 117 120 O 0.76291500650843 0.92545879941114 0.70602286160747 15.999 > 117 121 O 0.23708499349157 0.07454120058886 0.29397713839253 15.999 > 121 122 O 0.73708499349157 0.07454120058886 0.29397713839253 15.999 > 121 123 O 0.23708499349157 0.07454120058886 0.79397713839253 15.999 > 121 124 O 0.73708499349157 0.07454120058886 0.79397713839253 15.999 > 121 125 O 0.14658739348027 0.84347843135114 0.29037952352964 15.999 > 125 126 O 0.64658739348027 0.84347843135114 0.29037952352964 15.999 > 125 127 O 0.14658739348027 0.84347843135114 0.79037952352964 15.999 > 125 128 O 0.64658739348027 0.84347843135114 0.79037952352964 15.999 > 125 129 O 0.36488799466754 0.16975831562110 0.36993942496963 15.999 > 129 130 O 0.86488799466754 0.16975831562110 0.36993942496963 15.999 > 129 131 O 0.36488799466754 0.16975831562110 0.86993942496963 15.999 > 129 132 O 0.86488799466754 0.16975831562110 0.86993942496963 15.999 > 129 133 O 0.13511200533246 0.66975831562110 0.38006057503037 15.999 > 133 134 O 0.63511200533246 0.66975831562110 0.38006057503037 15.999 > 133 135 O 0.13511200533246 0.66975831562110 0.88006057503037 15.999 > 133 136 O 0.63511200533246 0.66975831562110 0.88006057503037 15.999 > 133 137 O 0.35341260651973 0.34347843135114 0.45962047647036 15.999 > 137 138 O 0.85341260651973 0.34347843135114 0.45962047647036 15.999 > 137 139 O 0.35341260651973 0.34347843135114 0.95962047647036 15.999 > 137 140 O 0.85341260651973 0.34347843135114 0.95962047647036 15.999 > 137 141 O 0.26291500650843 0.57454120058886 0.45602286160747 15.999 > 141 142 O 0.76291500650843 0.57454120058886 0.45602286160747 15.999 > 141 143 O 0.26291500650843 0.57454120058886 0.95602286160747 15.999 > 141 144 O 0.76291500650843 0.57454120058886 0.95602286160747 15.999 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.2316217 0.0000000 0.0586972 0.0000000 5.4551337 0.0000000 0.0586991 0.0000000 5.8675319 -------------------------- Born effective charges -------------------------- 1 Sb 4.5465851 -0.1487140 -0.2956757 -0.5076292 4.2816197 -0.8701770 -0.2865982 -1.0838253 4.0733850 2 Sb 3.4898207 0.5278714 0.2698029 0.0748429 3.3323422 0.4330833 0.1958018 -0.0288634 5.5807122 3 Sb 4.4648843 -0.0078710 0.1508287 -0.0287394 3.7351990 0.5838594 0.8485267 0.5766840 3.1344853 4 Sb 4.4648843 0.0078710 0.1508287 0.0287394 3.7351990 -0.5838594 0.8485267 -0.5766840 3.1344853 5 Sb 3.4898207 -0.5278714 0.2698029 -0.0748429 3.3323422 -0.4330833 0.1958018 0.0288634 5.5807122 6 Sb 4.5465851 0.1487140 -0.2956757 0.5076292 4.2816197 0.8701770 -0.2865982 1.0838253 4.0733850 7 Sb 4.5465851 0.1487140 -0.2956757 0.5076292 4.2816197 0.8701770 -0.2865982 1.0838253 4.0733850 8 Sb 3.4898207 -0.5278714 0.2698029 -0.0748429 3.3323422 -0.4330833 0.1958018 0.0288634 5.5807122 9 Sb 4.4648843 0.0078710 0.1508287 0.0287394 3.7351990 -0.5838594 0.8485267 -0.5766840 3.1344853 10 Sb 4.4648843 -0.0078710 0.1508287 -0.0287394 3.7351990 0.5838594 0.8485267 0.5766840 3.1344853 11 Sb 3.4898207 0.5278714 0.2698029 0.0748429 3.3323422 0.4330833 0.1958018 -0.0288634 5.5807122 12 Sb 4.5465851 -0.1487140 -0.2956757 -0.5076292 4.2816197 -0.8701770 -0.2865982 -1.0838253 4.0733850 13 Br -0.6085962 -0.1366300 0.2358666 -0.3752748 -1.0364561 0.1454430 0.5199943 0.4633621 -2.2928954 14 Br -0.5000552 -0.2203121 -0.0083105 -0.1402400 -1.6782447 -0.5256715 0.1414402 -0.3234245 -1.1183945 15 Br -2.5422105 -0.1528801 -0.2708741 -0.1392769 -1.4085541 -0.0201756 -0.2245613 -0.0974802 -2.0435552 16 Br -2.5422105 0.1528801 -0.2708741 0.1392769 -1.4085541 0.0201756 -0.2245613 0.0974802 -2.0435552 17 Br -0.5000552 0.2203121 -0.0083105 0.1402400 -1.6782447 0.5256715 0.1414402 0.3234245 -1.1183945 18 Br -0.6085962 0.1366300 0.2358666 0.3752748 -1.0364561 -0.1454430 0.5199943 -0.4633621 -2.2928954 19 Br -0.6085962 0.1366300 0.2358666 0.3752748 -1.0364561 -0.1454430 0.5199943 -0.4633621 -2.2928954 20 Br -0.5000552 0.2203121 -0.0083105 0.1402400 -1.6782447 0.5256715 0.1414402 0.3234245 -1.1183945 21 Br -2.5422105 0.1528801 -0.2708741 0.1392769 -1.4085541 0.0201756 -0.2245613 0.0974802 -2.0435552 22 Br -2.5422105 -0.1528801 -0.2708741 -0.1392769 -1.4085541 -0.0201756 -0.2245613 -0.0974802 -2.0435552 23 Br -0.5000552 -0.2203121 -0.0083105 -0.1402400 -1.6782447 -0.5256715 0.1414402 -0.3234245 -1.1183945 24 Br -0.6085962 -0.1366300 0.2358666 -0.3752748 -1.0364561 0.1454430 0.5199943 0.4633621 -2.2928954 25 O -3.1569937 -0.2214958 -0.4434244 0.2931694 -2.3410309 1.9310011 -0.0489182 1.4248273 -2.5169418 26 O -2.2962429 0.4881758 0.3143244 0.7682952 -2.7900407 -1.3430842 0.0400849 -1.3635217 -2.0321539 27 O -3.3971917 0.1075416 0.0474622 0.4285623 -2.0948344 1.3264310 -1.1857703 1.7198597 -2.7846418 28 O -3.3971917 -0.1075416 0.0474622 -0.4285623 -2.0948344 -1.3264310 -1.1857703 -1.7198597 -2.7846418 29 O -2.2962429 -0.4881758 0.3143244 -0.7682952 -2.7900407 1.3430842 0.0400849 1.3635217 -2.0321539 30 O -3.1569937 0.2214958 -0.4434244 -0.2931694 -2.3410309 -1.9310011 -0.0489182 -1.4248273 -2.5169418 31 O -3.1569937 0.2214958 -0.4434244 -0.2931694 -2.3410309 -1.9310011 -0.0489182 -1.4248273 -2.5169418 32 O -2.2962429 -0.4881758 0.3143244 -0.7682952 -2.7900407 1.3430842 0.0400849 1.3635217 -2.0321539 33 O -3.3971917 -0.1075416 0.0474622 -0.4285623 -2.0948344 -1.3264310 -1.1857703 -1.7198597 -2.7846418 34 O -3.3971917 0.1075416 0.0474622 0.4285623 -2.0948344 1.3264310 -1.1857703 1.7198597 -2.7846418 35 O -2.2962429 0.4881758 0.3143244 0.7682952 -2.7900407 -1.3430842 0.0400849 -1.3635217 -2.0321539 36 O -3.1569937 -0.2214958 -0.4434244 0.2931694 -2.3410309 1.9310011 -0.0489182 1.4248273 -2.5169418 ---------------------------------------------------------------------------- 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 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 4 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.44, Number of G-points: 297, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.482 ( 0.000 0.000 0.000) 0.000 0.916 ( 0.000 0.000 0.000) 0.000 1.017 ( 0.000 0.000 0.000) 0.000 1.060 ( 0.000 0.000 0.000) 0.000 1.144 ( 0.000 0.000 0.000) 0.000 1.179 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.238 ( 0.000 0.000 0.000) 0.000 1.253 ( 0.000 0.000 0.000) 0.000 1.434 ( 0.000 0.000 0.000) 0.000 1.527 ( 0.000 0.000 0.000) 0.000 1.569 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.610 ( 0.000 0.000 0.000) 0.000 1.722 ( 0.000 0.000 0.000) 0.000 1.752 ( 0.000 0.000 0.000) 0.000 1.773 ( 0.000 0.000 0.000) 0.000 1.843 ( 0.000 0.000 0.000) 0.000 1.881 ( 0.000 0.000 0.000) 0.000 1.894 ( 0.000 0.000 0.000) 0.000 1.933 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 1.968 ( 0.000 0.000 0.000) 0.000 2.017 ( 0.000 0.000 0.000) 0.000 2.088 ( 0.000 0.000 0.000) 0.000 2.203 ( 0.000 0.000 0.000) 0.000 2.223 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.301 ( 0.000 0.000 0.000) 0.000 2.369 ( 0.000 0.000 0.000) 0.000 2.386 ( 0.000 0.000 0.000) 0.000 2.483 ( 0.000 0.000 0.000) 0.000 2.548 ( 0.000 0.000 0.000) 0.000 2.607 ( 0.000 0.000 0.000) 0.000 2.627 ( 0.000 0.000 0.000) 0.000 2.650 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.783 ( 0.000 0.000 0.000) 0.000 2.811 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.937 ( 0.000 0.000 0.000) 0.000 3.011 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.156 ( 0.000 0.000 0.000) 0.000 3.196 ( 0.000 0.000 0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.277 ( 0.000 0.000 0.000) 0.000 3.488 ( 0.000 0.000 0.000) 0.000 4.157 ( 0.000 0.000 0.000) 0.000 4.225 ( 0.000 0.000 0.000) 0.000 4.338 ( 0.000 0.000 0.000) 0.000 4.456 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.855 ( 0.000 0.000 0.000) 0.000 5.044 ( 0.000 0.000 0.000) 0.000 5.127 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.485 ( 0.000 0.000 0.000) 0.000 5.544 ( 0.000 0.000 0.000) 0.000 5.559 ( 0.000 0.000 0.000) 0.000 5.640 ( 0.000 0.000 0.000) 0.000 5.733 ( 0.000 0.000 0.000) 0.000 5.826 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 0.000) 0.000 6.082 ( 0.000 0.000 0.000) 0.000 6.172 ( 0.000 0.000 0.000) 0.000 6.295 ( 0.000 0.000 0.000) 0.000 6.332 ( 0.000 0.000 0.000) 0.000 6.336 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 0.000) 0.000 6.476 ( 0.000 0.000 0.000) 0.000 6.646 ( 0.000 0.000 0.000) 0.000 6.741 ( 0.000 0.000 0.000) 0.000 6.794 ( 0.000 0.000 0.000) 0.000 6.956 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.922 ( 0.000 0.000 0.000) 0.000 8.346 ( 0.000 0.000 0.000) 0.000 8.580 ( 0.000 0.000 0.000) 0.000 11.880 ( 0.000 0.000 0.000) 0.000 11.933 ( 0.000 0.000 0.000) 0.000 12.268 ( 0.000 0.000 0.000) 0.000 12.664 ( 0.000 0.000 0.000) 0.000 13.092 ( 0.000 0.000 0.000) 0.000 13.361 ( 0.000 0.000 0.000) 0.000 14.017 ( 0.000 0.000 0.000) 0.000 14.110 ( 0.000 0.000 0.000) 0.000 14.244 ( 0.000 0.000 0.000) 0.000 14.497 ( 0.000 0.000 0.000) 0.000 14.709 ( 0.000 0.000 0.000) 0.000 14.764 ( 0.000 0.000 0.000) 0.000 15.093 ( 0.000 0.000 0.000) 0.000 15.530 ( 0.000 0.000 0.000) 0.000 16.818 ( 0.000 0.000 0.000) 0.000 17.873 ( 0.000 0.000 0.000) 0.000 18.397 ( 0.000 0.000 0.000) 0.000 19.090 ( 0.000 0.000 0.000) 0.000 19.136 ( 0.000 0.000 0.000) 0.000 19.532 ( 0.000 0.000 0.000) 0.000 19.728 ( 0.000 0.000 0.000) 0.000 20.041 ( 0.000 0.000 0.000) 0.000 20.195 ( 0.000 0.000 0.000) 0.000 20.297 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.192 ( 11.004 0.000 -1.376) 11.090 0.358 ( 15.143 0.000 9.644) 17.953 0.519 ( 21.797 0.000 1.886) 21.879 0.576 ( 6.653 0.000 -1.482) 6.816 0.912 ( -1.399 0.000 2.038) 2.472 1.014 ( 0.123 0.000 -2.400) 2.403 1.061 ( 0.378 0.000 -1.066) 1.132 1.112 ( -1.539 0.000 -4.936) 5.170 1.156 ( -0.678 0.000 -1.410) 1.564 1.212 ( -0.377 0.000 0.360) 0.521 1.294 ( 2.653 0.000 2.672) 3.765 1.307 ( 3.169 0.000 3.132) 4.456 1.402 ( -2.350 0.000 6.631) 7.035 1.548 ( -1.370 0.000 0.234) 1.390 1.576 ( 2.667 0.000 -2.689) 3.787 1.598 ( -1.126 0.000 -0.962) 1.481 1.639 ( 0.613 0.000 3.425) 3.480 1.741 ( 1.822 0.000 -1.174) 2.167 1.744 ( -0.957 0.000 -2.724) 2.887 1.842 ( -1.405 0.000 0.021) 1.405 1.849 ( -0.180 0.000 2.459) 2.466 1.866 ( -3.184 0.000 0.321) 3.200 1.886 ( -0.437 0.000 -1.884) 1.934 1.886 ( -0.130 0.000 0.046) 0.138 1.929 ( 0.737 0.000 -0.619) 0.962 1.995 ( 0.786 0.000 0.058) 0.788 2.048 ( 0.749 0.000 1.904) 2.046 2.131 ( 2.820 0.000 1.485) 3.187 2.185 ( -1.302 0.000 0.703) 1.480 2.231 ( 0.898 0.000 -2.026) 2.217 2.259 ( -2.225 0.000 -0.871) 2.390 2.356 ( -1.688 0.000 -0.635) 1.803 2.398 ( 2.459 0.000 -0.568) 2.523 2.411 ( -0.391 0.000 9.609) 9.617 2.539 ( -0.967 0.000 0.574) 1.125 2.610 ( -2.350 0.000 2.255) 3.257 2.617 ( 0.305 0.000 0.824) 0.879 2.648 ( -2.261 0.000 -0.129) 2.265 2.651 ( 0.581 0.000 -1.826) 1.917 2.791 ( 1.521 0.000 -3.710) 4.009 2.799 ( -0.371 0.000 -0.859) 0.935 2.829 ( -1.619 0.000 -5.024) 5.278 2.860 ( -0.526 0.000 3.550) 3.588 2.919 ( -1.898 0.000 0.009) 1.898 3.077 ( -1.012 0.000 -1.618) 1.908 3.079 ( -3.268 0.000 0.486) 3.304 3.106 ( -3.180 0.000 -4.039) 5.141 3.203 ( 0.169 0.000 0.533) 0.559 3.204 ( -0.764 0.000 0.036) 0.765 3.343 ( 3.423 0.000 3.559) 4.938 3.489 ( -0.117 0.000 0.914) 0.921 3.621 ( -0.628 0.000 -7.980) 8.005 4.153 ( -0.176 0.000 0.044) 0.181 4.297 ( -5.448 0.000 2.339) 5.929 4.337 ( -2.593 0.000 13.778) 14.020 4.351 ( -5.276 0.000 -3.173) 6.157 4.570 ( -0.788 0.000 -4.333) 4.404 4.907 ( 3.870 0.000 -1.435) 4.127 5.053 ( 0.729 0.000 0.246) 0.769 5.159 ( 1.535 0.000 2.141) 2.634 5.163 ( -1.616 0.000 4.906) 5.165 5.487 ( -0.015 0.000 0.582) 0.582 5.561 ( 1.550 0.000 1.356) 2.059 5.591 ( 0.918 0.000 -2.617) 2.773 5.636 ( -0.064 0.000 -1.087) 1.089 5.746 ( 1.002 0.000 0.309) 1.048 5.850 ( 2.026 0.000 0.245) 2.041 6.042 ( -0.052 0.000 -0.026) 0.058 6.078 ( -0.167 0.000 -0.533) 0.559 6.175 ( 0.289 0.000 -0.289) 0.408 6.270 ( -1.921 0.000 -1.296) 2.317 6.322 ( -1.192 0.000 0.921) 1.506 6.328 ( -0.582 0.000 -0.559) 0.807 6.382 ( 0.498 0.000 0.054) 0.501 6.498 ( -0.042 0.000 1.751) 1.752 6.654 ( 0.616 0.000 0.782) 0.995 6.735 ( -0.429 0.000 -0.339) 0.547 6.789 ( -0.539 0.000 0.419) 0.683 6.949 ( -0.491 0.000 -0.555) 0.741 7.239 ( -0.028 0.000 -1.395) 1.395 7.822 ( -0.153 0.000 0.349) 0.381 7.899 ( -2.200 0.000 0.305) 2.221 8.354 ( 0.572 0.000 0.529) 0.779 8.557 ( -2.024 0.000 -0.292) 2.045 11.873 ( -0.613 0.000 0.508) 0.796 12.030 ( -9.880 0.000 23.043) 25.072 12.278 ( 0.004 0.000 2.701) 2.701 12.657 ( -0.430 0.000 -0.704) 0.825 13.070 ( -1.948 0.000 0.101) 1.951 13.380 ( -2.160 0.000 3.237) 3.891 14.015 ( -0.201 0.000 -0.336) 0.391 14.103 ( -0.662 0.000 -0.492) 0.825 14.291 ( 4.120 0.000 0.384) 4.138 14.476 ( -1.461 0.000 1.144) 1.856 14.707 ( -0.241 0.000 0.341) 0.417 14.753 ( -0.842 0.000 -1.150) 1.425 15.664 ( 11.648 0.000 -1.600) 11.758 16.804 ( -3.028 0.000 6.765) 7.412 17.172 ( 3.708 0.000 -26.656) 26.913 17.853 ( -2.009 0.000 0.117) 2.012 18.551 ( -3.563 0.000 13.257) 13.727 19.058 ( -4.021 0.000 4.396) 5.958 19.107 ( -0.378 0.000 -8.254) 8.263 19.540 ( 0.752 0.000 1.046) 1.289 19.792 ( 5.032 0.000 2.261) 5.517 20.071 ( 1.822 0.000 3.130) 3.621 20.184 ( -1.155 0.000 0.059) 1.157 20.434 ( 0.626 0.000 -7.744) 7.770 ======================= Grid point 2 (3/48) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.404 ( 7.668 0.000 7.162) 10.492 0.696 ( 5.510 0.000 -8.367) 10.019 0.703 ( 13.930 0.000 7.252) 15.704 0.813 ( 3.410 0.000 0.050) 3.411 0.966 ( 8.033 0.000 0.230) 8.036 0.999 ( -0.533 0.000 -0.606) 0.807 1.054 ( -1.884 0.000 -1.886) 2.666 1.068 ( 0.934 0.000 -0.622) 1.122 1.177 ( 3.970 0.000 0.435) 3.993 1.205 ( -1.644 0.000 0.780) 1.820 1.340 ( -0.113 0.000 -2.063) 2.066 1.357 ( 0.945 0.000 3.003) 3.149 1.441 ( 1.492 0.000 4.864) 5.087 1.515 ( -2.202 0.000 -0.083) 2.203 1.562 ( 0.362 0.000 -3.118) 3.139 1.579 ( -1.397 0.000 0.519) 1.490 1.650 ( -0.923 0.000 3.563) 3.680 1.724 ( -0.447 0.000 -2.562) 2.601 1.760 ( 0.514 0.000 -2.423) 2.477 1.790 ( -1.003 0.000 -0.880) 1.334 1.849 ( -0.354 0.000 2.325) 2.352 1.852 ( -0.877 0.000 1.759) 1.966 1.866 ( -0.140 0.000 -1.669) 1.675 1.910 ( 2.062 0.000 0.576) 2.141 1.915 ( -1.528 0.000 -0.890) 1.768 2.030 ( 2.724 0.000 0.610) 2.791 2.060 ( -0.077 0.000 0.673) 0.677 2.141 ( -2.868 0.000 -0.182) 2.874 2.145 ( -1.731 0.000 -3.647) 4.037 2.234 ( 0.640 0.000 -0.613) 0.887 2.248 ( 0.896 0.000 2.423) 2.583 2.318 ( -1.793 0.000 1.238) 2.179 2.440 ( 0.124 0.000 2.881) 2.884 2.462 ( 3.235 0.000 -3.888) 5.058 2.535 ( -0.404 0.000 4.032) 4.053 2.546 ( -3.913 0.000 2.413) 4.597 2.606 ( -1.389 0.000 -0.105) 1.393 2.630 ( 0.274 0.000 0.640) 0.697 2.644 ( -0.473 0.000 -0.824) 0.950 2.773 ( -1.260 0.000 -1.897) 2.277 2.799 ( 0.806 0.000 -4.383) 4.456 2.806 ( 0.897 0.000 1.151) 1.459 2.868 ( -2.515 0.000 -0.636) 2.594 2.879 ( 0.638 0.000 1.358) 1.500 2.992 ( -4.505 0.000 -1.184) 4.658 3.013 ( -2.886 0.000 -4.382) 5.247 3.051 ( -0.368 0.000 -2.304) 2.333 3.205 ( 0.509 0.000 0.442) 0.675 3.207 ( -0.029 0.000 0.423) 0.424 3.398 ( 0.539 0.000 1.248) 1.359 3.493 ( -0.034 0.000 0.948) 0.949 3.583 ( -0.389 0.000 -0.876) 0.959 4.156 ( 0.374 0.000 -0.043) 0.377 4.178 ( -4.682 0.000 0.970) 4.782 4.277 ( -2.072 0.000 -1.220) 2.405 4.351 ( -0.736 0.000 4.206) 4.270 4.534 ( -0.610 0.000 -2.505) 2.578 4.971 ( 3.001 0.000 -1.277) 3.262 5.065 ( 0.220 0.000 -0.145) 0.263 5.158 ( -0.538 0.000 1.736) 1.818 5.176 ( -0.689 0.000 0.986) 1.203 5.489 ( -0.099 0.000 0.478) 0.488 5.599 ( 0.537 0.000 -0.158) 0.559 5.619 ( 2.883 0.000 2.138) 3.589 5.628 ( -0.104 0.000 -1.610) 1.613 5.761 ( -0.050 0.000 -0.036) 0.061 5.894 ( 1.813 0.000 0.103) 1.816 6.058 ( 1.721 0.000 0.830) 1.911 6.072 ( -0.154 0.000 -0.484) 0.508 6.177 ( -0.151 0.000 -1.351) 1.360 6.213 ( -2.635 0.000 -0.285) 2.650 6.299 ( -1.204 0.000 0.377) 1.262 6.312 ( -0.501 0.000 -0.689) 0.852 6.393 ( 0.434 0.000 0.249) 0.501 6.505 ( 0.028 0.000 0.794) 0.794 6.674 ( 0.718 0.000 0.907) 1.157 6.724 ( -0.325 0.000 -0.345) 0.474 6.780 ( -0.589 0.000 0.570) 0.819 6.931 ( -0.756 0.000 -0.889) 1.167 7.230 ( -0.323 0.000 -0.457) 0.559 7.820 ( -0.137 0.000 0.321) 0.349 7.853 ( -1.984 0.000 0.037) 1.984 8.372 ( 0.867 0.000 0.558) 1.032 8.508 ( -2.234 0.000 -0.319) 2.257 11.870 ( 0.086 0.000 0.693) 0.698 11.947 ( -5.176 0.000 6.625) 8.407 12.290 ( 0.045 0.000 1.632) 1.633 12.643 ( -0.515 0.000 -0.820) 0.968 13.027 ( -1.963 0.000 0.114) 1.966 13.352 ( -1.440 0.000 1.162) 1.850 14.007 ( -0.241 0.000 -0.437) 0.499 14.078 ( -1.291 0.000 -0.647) 1.444 14.390 ( 4.693 0.000 0.412) 4.711 14.470 ( 0.059 0.000 1.314) 1.315 14.705 ( -0.117 0.000 0.112) 0.162 14.719 ( -1.917 0.000 -0.438) 1.967 15.892 ( 9.665 0.000 -1.330) 9.756 16.775 ( -2.892 0.000 6.521) 7.133 17.104 ( 1.022 0.000 -15.880) 15.913 17.799 ( -2.767 0.000 -0.394) 2.795 18.548 ( -1.268 0.000 4.606) 4.777 19.001 ( -3.981 0.000 8.268) 9.176 19.050 ( 0.019 0.000 -11.520) 11.520 19.573 ( 1.582 0.000 0.853) 1.797 19.912 ( 4.705 0.000 1.769) 5.026 20.129 ( 1.658 0.000 3.676) 4.033 20.154 ( -1.555 0.000 0.012) 1.555 20.403 ( -0.442 0.000 -3.881) 3.907 ======================= Grid point 3 (4/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.539 ( 0.000 0.000 0.000) 0.000 0.656 ( 0.000 0.000 0.000) 0.000 0.889 ( 0.000 0.000 0.000) 0.000 0.919 ( 0.000 0.000 -0.000) 0.000 0.998 ( 0.000 0.000 -0.000) 0.000 1.018 ( 0.000 0.000 0.000) 0.000 1.026 ( 0.000 0.000 -0.000) 0.000 1.087 ( 0.000 0.000 0.000) 0.000 1.149 ( 0.000 0.000 -0.000) 0.000 1.267 ( 0.000 0.000 0.000) 0.000 1.330 ( 0.000 0.000 -0.000) 0.000 1.351 ( 0.000 0.000 -0.000) 0.000 1.462 ( 0.000 0.000 0.000) 0.000 1.479 ( 0.000 0.000 -0.000) 0.000 1.550 ( 0.000 0.000 0.000) 0.000 1.594 ( 0.000 0.000 -0.000) 0.000 1.655 ( 0.000 0.000 -0.000) 0.000 1.698 ( 0.000 0.000 -0.000) 0.000 1.758 ( 0.000 0.000 0.000) 0.000 1.778 ( 0.000 0.000 -0.000) 0.000 1.849 ( 0.000 0.000 -0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 1.860 ( 0.000 0.000 -0.000) 0.000 1.889 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 -0.000) 0.000 2.081 ( -0.000 0.000 -0.000) 0.000 2.101 ( 0.000 0.000 -0.000) 0.000 2.102 ( 0.000 0.000 0.000) 0.000 2.234 ( 0.000 0.000 0.000) 0.000 2.274 ( 0.000 0.000 0.000) 0.000 2.305 ( 0.000 0.000 -0.000) 0.000 2.437 ( 0.000 0.000 -0.000) 0.000 2.457 ( 0.000 0.000 0.000) 0.000 2.541 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.593 ( 0.000 0.000 -0.000) 0.000 2.630 ( 0.000 0.000 0.000) 0.000 2.639 ( 0.000 0.000 -0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.786 ( 0.000 0.000 -0.000) 0.000 2.826 ( 0.000 0.000 -0.000) 0.000 2.832 ( 0.000 0.000 0.000) 0.000 2.890 ( 0.000 0.000 0.000) 0.000 2.930 ( 0.000 0.000 0.000) 0.000 2.970 ( 0.000 0.000 -0.000) 0.000 3.041 ( 0.000 0.000 -0.000) 0.000 3.207 ( 0.000 0.000 0.000) 0.000 3.215 ( 0.000 0.000 -0.000) 0.000 3.400 ( 0.000 0.000 -0.000) 0.000 3.495 ( 0.000 0.000 0.000) 0.000 3.582 ( 0.000 0.000 0.000) 0.000 4.135 ( 0.000 0.000 0.000) 0.000 4.161 ( 0.000 0.000 0.000) 0.000 4.251 ( 0.000 0.000 -0.000) 0.000 4.353 ( 0.000 0.000 0.000) 0.000 4.523 ( 0.000 0.000 0.000) 0.000 5.003 ( 0.000 0.000 0.000) 0.000 5.065 ( 0.000 0.000 -0.000) 0.000 5.158 ( 0.000 0.000 -0.000) 0.000 5.164 ( 0.000 0.000 0.000) 0.000 5.489 ( 0.000 0.000 0.000) 0.000 5.608 ( 0.000 0.000 0.000) 0.000 5.618 ( 0.000 0.000 -0.000) 0.000 5.667 ( 0.000 0.000 -0.000) 0.000 5.749 ( 0.000 0.000 -0.000) 0.000 5.914 ( 0.000 0.000 -0.000) 0.000 6.069 ( 0.000 0.000 -0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.135 ( -0.000 0.000 -0.000) 0.000 6.196 ( 0.000 0.000 -0.000) 0.000 6.286 ( 0.000 0.000 -0.000) 0.000 6.305 ( 0.000 0.000 0.000) 0.000 6.398 ( 0.000 0.000 -0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.685 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.775 ( 0.000 0.000 0.000) 0.000 6.919 ( 0.000 0.000 -0.000) 0.000 7.225 ( 0.000 0.000 0.000) 0.000 7.821 ( -0.000 0.000 -0.000) 0.000 7.830 ( 0.000 0.000 0.000) 0.000 8.386 ( 0.000 0.000 -0.000) 0.000 8.480 ( 0.000 0.000 -0.000) 0.000 11.875 ( 0.000 0.000 0.000) 0.000 11.909 ( 0.000 0.000 0.000) 0.000 12.295 ( 0.000 0.000 -0.000) 0.000 12.634 ( 0.000 0.000 -0.000) 0.000 13.005 ( 0.000 0.000 0.000) 0.000 13.340 ( 0.000 0.000 0.000) 0.000 14.003 ( 0.000 0.000 0.000) 0.000 14.060 ( 0.000 0.000 0.000) 0.000 14.449 ( 0.000 0.000 0.000) 0.000 14.477 ( 0.000 0.000 -0.000) 0.000 14.691 ( 0.000 0.000 0.000) 0.000 14.704 ( 0.000 0.000 0.000) 0.000 15.992 ( 0.000 0.000 -0.000) 0.000 16.763 ( 0.000 0.000 -0.000) 0.000 17.070 ( 0.000 0.000 0.000) 0.000 17.764 ( 0.000 0.000 0.000) 0.000 18.547 ( 0.000 0.000 0.000) 0.000 18.993 ( 0.000 0.000 -0.000) 0.000 19.006 ( 0.000 0.000 0.000) 0.000 19.595 ( 0.000 0.000 -0.000) 0.000 19.969 ( 0.000 0.000 -0.000) 0.000 20.135 ( 0.000 0.000 -0.000) 0.000 20.158 ( 0.000 0.000 0.000) 0.000 20.386 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/48) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.352 ( 0.000 15.250 0.000) 15.250 0.376 ( 0.000 16.213 0.000) 16.213 0.385 ( 0.000 15.655 0.000) 15.655 0.630 ( 0.000 11.048 0.000) 11.048 0.898 ( 0.000 -3.598 0.000) 3.598 1.009 ( 0.000 -6.478 0.000) 6.478 1.056 ( 0.000 -4.148 0.000) 4.148 1.062 ( 0.000 -0.233 0.000) 0.233 1.136 ( 0.000 -8.296 0.000) 8.296 1.212 ( 0.000 0.462 0.000) 0.462 1.253 ( 0.000 -2.291 0.000) 2.291 1.266 ( 0.000 -1.306 0.000) 1.306 1.427 ( 0.000 0.571 0.000) 0.571 1.465 ( 0.000 -2.345 0.000) 2.345 1.546 ( 0.000 -1.982 0.000) 1.982 1.614 ( 0.000 -2.963 0.000) 2.963 1.701 ( 0.000 2.125 0.000) 2.125 1.717 ( 0.000 3.393 0.000) 3.393 1.742 ( 0.000 -0.490 0.000) 0.490 1.822 ( 0.000 -1.470 0.000) 1.470 1.844 ( 0.000 1.023 0.000) 1.023 1.877 ( 0.000 0.514 0.000) 0.514 1.903 ( 0.000 1.901 0.000) 1.901 1.927 ( 0.000 1.999 0.000) 1.999 2.004 ( 0.000 -1.483 0.000) 1.483 2.005 ( 0.000 1.231 0.000) 1.231 2.076 ( 0.000 0.521 0.000) 0.521 2.123 ( 0.000 -4.154 0.000) 4.154 2.166 ( 0.000 -2.061 0.000) 2.061 2.181 ( 0.000 -3.841 0.000) 3.841 2.280 ( 0.000 0.139 0.000) 0.139 2.309 ( 0.000 -0.282 0.000) 0.282 2.390 ( 0.000 0.999 0.000) 0.999 2.457 ( 0.000 -4.175 0.000) 4.175 2.476 ( 0.000 2.891 0.000) 2.891 2.499 ( 0.000 0.546 0.000) 0.546 2.598 ( 0.000 -0.295 0.000) 0.295 2.621 ( 0.000 -0.138 0.000) 0.138 2.677 ( 0.000 2.051 0.000) 2.051 2.714 ( 0.000 1.918 0.000) 1.918 2.817 ( 0.000 2.513 0.000) 2.513 2.916 ( 0.000 4.202 0.000) 4.202 2.936 ( 0.000 0.899 0.000) 0.899 3.017 ( 0.000 -0.909 0.000) 0.909 3.052 ( 0.000 -1.458 0.000) 1.458 3.058 ( 0.000 -2.501 0.000) 2.501 3.115 ( 0.000 0.462 0.000) 0.462 3.132 ( 0.000 -3.774 0.000) 3.774 3.222 ( 0.000 1.211 0.000) 1.211 3.227 ( 0.000 4.031 0.000) 4.031 3.287 ( 0.000 -0.269 0.000) 0.269 3.448 ( 0.000 -3.431 0.000) 3.431 4.167 ( 0.000 0.894 0.000) 0.894 4.216 ( 0.000 -0.773 0.000) 0.773 4.366 ( 0.000 1.313 0.000) 1.313 4.432 ( 0.000 -1.544 0.000) 1.544 4.646 ( 0.000 4.281 0.000) 4.281 4.828 ( 0.000 -2.511 0.000) 2.511 5.043 ( 0.000 0.078 0.000) 0.078 5.084 ( 0.000 -1.830 0.000) 1.830 5.238 ( 0.000 5.601 0.000) 5.601 5.491 ( 0.000 -0.368 0.000) 0.368 5.549 ( 0.000 0.439 0.000) 0.439 5.572 ( 0.000 0.947 0.000) 0.947 5.602 ( 0.000 -2.910 0.000) 2.910 5.670 ( 0.000 -6.783 0.000) 6.783 5.867 ( 0.000 4.272 0.000) 4.272 6.077 ( 0.000 1.393 0.000) 1.393 6.107 ( 0.000 -5.042 0.000) 5.042 6.216 ( 0.000 6.809 0.000) 6.809 6.236 ( 0.000 -4.326 0.000) 4.326 6.345 ( 0.000 0.010 0.000) 0.010 6.413 ( 0.000 3.186 0.000) 3.186 6.481 ( 0.000 3.128 0.000) 3.128 6.492 ( 0.000 0.639 0.000) 0.639 6.633 ( 0.000 -1.323 0.000) 1.323 6.737 ( 0.000 -0.273 0.000) 0.273 6.768 ( 0.000 -1.997 0.000) 1.997 6.997 ( 0.000 3.010 0.000) 3.010 7.199 ( 0.000 -3.708 0.000) 3.708 7.832 ( 0.000 0.844 0.000) 0.844 7.900 ( 0.000 -1.734 0.000) 1.734 8.614 ( 0.000 2.725 0.000) 2.725 8.735 ( 0.000 -1.707 0.000) 1.707 11.971 ( 0.000 3.485 0.000) 3.485 12.208 ( 0.000 -4.967 0.000) 4.967 12.704 ( 0.000 3.283 0.000) 3.283 12.832 ( 0.000 -0.808 0.000) 0.808 13.160 ( 0.000 1.689 0.000) 1.689 13.318 ( 0.000 -3.564 0.000) 3.564 14.048 ( 0.000 2.852 0.000) 2.852 14.133 ( 0.000 1.700 0.000) 1.700 14.237 ( 0.000 -0.646 0.000) 0.646 14.360 ( 0.000 -8.562 0.000) 8.562 14.896 ( 0.000 8.832 0.000) 8.832 15.157 ( 0.000 5.447 0.000) 5.447 15.216 ( 0.000 -3.620 0.000) 3.620 15.583 ( 0.000 -11.705 0.000) 11.705 16.985 ( 0.000 12.926 0.000) 12.926 17.658 ( 0.000 -14.860 0.000) 14.860 18.596 ( 0.000 13.169 0.000) 13.169 19.065 ( 0.000 -6.175 0.000) 6.175 19.201 ( 0.000 5.694 0.000) 5.694 19.591 ( 0.000 -9.518 0.000) 9.518 20.009 ( 0.000 3.651 0.000) 3.651 20.113 ( 0.000 5.078 0.000) 5.078 20.167 ( 0.000 -2.477 0.000) 2.477 20.278 ( 0.000 -1.766 0.000) 1.766 ======================= Grid point 8 (6/48) ======================= q-point: ( 0.17 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.238 ( 9.904 4.698 3.662) 11.558 0.409 ( 4.736 12.997 -5.315) 14.820 0.644 ( 2.386 4.829 0.102) 5.387 0.727 ( 12.883 7.368 -2.201) 15.003 0.868 ( -1.077 -3.369 -0.440) 3.564 1.002 ( 1.124 -3.396 -2.237) 4.219 1.030 ( -0.769 -1.070 -0.825) 1.555 1.068 ( 0.645 -0.551 2.547) 2.685 1.102 ( -0.660 -7.544 1.671) 7.755 1.209 ( -1.505 2.208 -0.474) 2.714 1.279 ( 3.978 1.030 -2.675) 4.904 1.306 ( 1.587 -2.377 -0.687) 2.939 1.414 ( 0.854 -0.726 2.259) 2.522 1.494 ( 0.919 -3.658 -2.478) 4.513 1.563 ( 1.176 0.696 3.436) 3.698 1.632 ( 1.943 0.745 1.094) 2.351 1.689 ( -1.145 3.331 2.057) 4.079 1.713 ( -0.001 0.100 -0.498) 0.508 1.765 ( -0.986 -1.713 0.644) 2.079 1.811 ( 0.213 1.533 -1.474) 2.137 1.839 ( 0.985 -1.836 0.629) 2.176 1.881 ( -2.219 2.849 -1.973) 4.115 1.901 ( 0.155 1.129 -1.519) 1.899 1.930 ( 0.738 2.185 3.868) 4.504 1.972 ( 0.266 0.228 -1.035) 1.093 1.983 ( -4.041 -0.173 1.095) 4.190 2.070 ( 0.223 0.540 -0.536) 0.793 2.106 ( 2.042 -0.873 1.367) 2.608 2.131 ( -2.138 -2.733 -1.376) 3.733 2.188 ( 1.261 -4.239 2.841) 5.257 2.290 ( -0.968 1.535 -2.382) 2.994 2.320 ( -0.055 -3.234 3.139) 4.507 2.376 ( -0.966 1.633 -0.422) 1.944 2.440 ( -1.756 -3.033 -1.370) 3.764 2.511 ( 1.649 2.928 5.959) 6.841 2.592 ( -1.401 -1.596 0.183) 2.132 2.612 ( 0.450 -0.174 0.354) 0.599 2.638 ( 0.705 -1.654 -2.734) 3.272 2.677 ( 3.486 -2.363 -1.244) 4.391 2.715 ( -0.313 0.589 0.781) 1.027 2.789 ( 0.049 0.655 -4.938) 4.981 2.874 ( -3.490 1.994 -2.431) 4.697 2.926 ( -0.613 3.637 1.325) 3.919 2.967 ( -2.203 2.716 4.722) 5.876 3.036 ( -1.974 -2.009 -1.840) 3.364 3.072 ( -1.534 -0.705 -0.241) 1.705 3.122 ( -1.234 -2.374 2.518) 3.675 3.157 ( 0.124 -4.468 0.293) 4.479 3.204 ( -1.101 3.692 -2.705) 4.708 3.313 ( 4.475 -4.057 1.914) 6.337 3.346 ( 3.517 -3.729 2.753) 5.818 3.472 ( 2.701 -4.531 -2.610) 5.885 4.149 ( -0.701 0.325 -0.723) 1.057 4.223 ( -2.495 -2.878 3.005) 4.851 4.359 ( -1.383 1.530 0.901) 2.251 4.383 ( -3.293 0.924 3.897) 5.185 4.631 ( -0.302 4.917 -3.576) 6.087 4.871 ( 3.656 -3.821 -0.827) 5.352 5.055 ( 1.096 0.722 0.198) 1.327 5.112 ( 1.158 -1.969 2.975) 3.751 5.230 ( -0.914 4.482 0.341) 4.587 5.469 ( -1.696 -2.218 -0.151) 2.796 5.562 ( 0.143 0.286 0.488) 0.583 5.578 ( 1.464 0.237 0.040) 1.484 5.608 ( 0.947 -1.557 -1.439) 2.322 5.675 ( 0.511 -5.383 0.198) 5.411 5.876 ( 1.012 3.974 0.003) 4.100 6.066 ( -0.714 1.784 0.776) 2.072 6.108 ( 0.276 -4.641 -0.533) 4.680 6.194 ( -1.054 1.413 -1.674) 2.431 6.248 ( 0.184 1.207 1.884) 2.246 6.336 ( -0.528 0.114 -0.907) 1.055 6.408 ( -1.290 3.451 -0.046) 3.685 6.439 ( -0.778 5.327 -0.709) 5.430 6.509 ( 0.083 0.467 0.887) 1.006 6.642 ( 0.597 -1.455 0.493) 1.648 6.735 ( -0.121 -0.010 0.100) 0.158 6.766 ( -0.120 -1.658 -0.024) 1.663 6.985 ( -1.017 2.982 -0.568) 3.202 7.193 ( -0.455 -3.997 -0.761) 4.094 7.830 ( -0.245 0.755 0.264) 0.837 7.883 ( -1.479 -1.216 0.081) 1.917 8.543 ( -9.405 6.778 -2.985) 11.971 8.575 ( -3.144 1.453 -0.713) 3.536 11.925 ( -3.163 3.325 -1.374) 4.791 12.106 ( -8.056 -1.915 -0.942) 8.334 12.525 ( -10.728 15.943 1.327) 19.263 12.693 ( -2.247 2.641 1.778) 3.897 13.074 ( -3.438 1.250 0.980) 3.787 13.316 ( -2.812 -5.510 2.519) 6.679 14.037 ( -0.416 2.652 0.305) 2.702 14.138 ( -0.596 2.140 0.595) 2.300 14.282 ( 4.508 -0.598 -0.683) 4.598 14.376 ( 1.472 -6.939 -0.607) 7.119 14.778 ( -6.488 5.833 3.541) 9.416 14.848 ( -2.787 5.074 -0.715) 5.833 15.608 ( 14.392 -1.912 -2.973) 14.819 16.325 ( 32.737 -40.678 -12.756) 53.750 16.983 ( -2.011 13.927 7.857) 16.116 17.704 ( 1.791 -15.237 7.781) 17.202 18.578 ( -2.333 10.538 1.392) 10.883 19.013 ( -4.094 -5.028 1.672) 6.697 19.244 ( 2.864 6.294 -1.107) 7.003 19.607 ( -0.891 -5.771 3.286) 6.700 19.875 ( -3.499 9.044 -3.017) 10.156 20.091 ( -1.253 0.156 1.551) 2.000 20.184 ( 1.446 1.261 -0.329) 1.946 20.353 ( 3.439 -4.607 -4.390) 7.234 ======================= Grid point 9 (7/48) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.499 ( 5.111 4.752 1.783) 7.202 0.536 ( 12.586 -5.456 2.854) 14.011 0.703 ( 1.622 -1.582 -10.181) 10.430 0.737 ( -0.517 -5.754 1.709) 6.025 0.937 ( 3.129 -3.980 -2.614) 5.698 1.028 ( 1.069 -1.019 1.404) 2.038 1.048 ( 1.937 3.039 0.002) 3.603 1.111 ( 0.729 -7.306 2.519) 7.762 1.152 ( 1.381 3.061 -1.538) 3.693 1.191 ( 1.569 0.864 -1.297) 2.211 1.300 ( 1.665 4.449 0.395) 4.766 1.356 ( 3.129 -0.382 -1.177) 3.365 1.475 ( 2.487 -1.503 2.824) 4.052 1.503 ( 1.206 -0.828 -1.842) 2.352 1.590 ( -0.960 3.022 3.115) 4.445 1.648 ( -1.687 3.171 -0.191) 3.597 1.679 ( -1.632 1.626 1.260) 2.626 1.712 ( 1.024 0.066 1.841) 2.107 1.730 ( -0.537 -0.299 -0.629) 0.880 1.815 ( -1.100 -0.403 -0.322) 1.215 1.824 ( -0.027 2.236 -2.421) 3.296 1.867 ( 0.125 -1.408 1.613) 2.144 1.890 ( -0.866 1.201 -1.499) 2.108 1.938 ( -0.159 0.397 1.304) 1.373 1.947 ( -0.898 3.075 1.587) 3.574 1.992 ( 1.623 -3.017 -0.221) 3.433 2.068 ( -0.048 0.819 -0.219) 0.849 2.096 ( -0.326 -1.079 0.199) 1.144 2.165 ( 2.199 -2.581 2.760) 4.372 2.214 ( -2.698 1.720 -3.885) 5.033 2.245 ( 1.456 -2.783 2.764) 4.184 2.317 ( -1.894 -1.202 2.369) 3.263 2.364 ( -1.357 -3.029 -4.042) 5.230 2.412 ( 2.053 -1.555 -0.218) 2.585 2.503 ( -5.402 -1.443 -0.249) 5.596 2.566 ( -1.803 -1.102 2.942) 3.622 2.619 ( 0.802 3.237 0.026) 3.335 2.631 ( 1.592 -0.555 -0.276) 1.709 2.691 ( -0.852 1.882 -0.023) 2.066 2.763 ( 2.455 -2.489 1.437) 3.779 2.771 ( 0.059 -0.805 -3.289) 3.387 2.807 ( -1.424 0.918 -1.186) 2.068 2.901 ( -1.831 2.722 0.332) 3.297 2.967 ( -0.559 5.478 3.218) 6.378 2.987 ( -0.986 -1.183 -1.986) 2.513 3.019 ( -2.444 0.221 -1.616) 2.938 3.086 ( -2.034 2.560 -3.112) 4.514 3.174 ( 0.083 -1.149 -1.834) 2.166 3.178 ( 0.879 -2.088 2.737) 3.553 3.355 ( 0.039 -3.436 0.247) 3.445 3.404 ( 0.811 -5.642 4.780) 7.440 3.486 ( 0.289 -5.946 -5.088) 7.831 4.136 ( -0.352 -0.776 -0.477) 0.976 4.157 ( -3.288 -1.325 1.038) 3.694 4.327 ( -1.138 3.089 1.002) 3.441 4.374 ( -0.809 1.221 3.073) 3.404 4.611 ( 0.008 6.355 -2.220) 6.732 4.933 ( 2.325 -4.648 -0.209) 5.201 5.081 ( 1.125 1.679 -0.143) 2.026 5.140 ( 0.395 -1.120 1.728) 2.097 5.207 ( -1.281 2.777 0.388) 3.083 5.437 ( -1.110 -5.462 -0.148) 5.575 5.567 ( 0.151 -0.412 0.647) 0.782 5.607 ( 0.868 0.148 -0.436) 0.983 5.628 ( 1.680 -0.750 -1.032) 2.109 5.685 ( 0.061 -4.293 0.442) 4.316 5.905 ( 1.479 3.231 0.167) 3.557 6.067 ( 0.215 1.428 1.530) 2.104 6.110 ( 0.240 -3.550 -1.269) 3.777 6.167 ( -0.711 -1.153 -0.797) 1.571 6.257 ( -0.042 4.304 1.066) 4.435 6.322 ( -0.240 0.442 -0.904) 1.035 6.371 ( -1.517 5.054 -0.498) 5.300 6.443 ( 0.501 4.910 0.254) 4.942 6.509 ( -0.285 -0.100 0.366) 0.475 6.657 ( 0.553 -1.906 0.334) 2.013 6.736 ( 0.223 0.720 -0.125) 0.764 6.763 ( -0.281 -0.920 0.432) 1.055 6.954 ( -1.409 2.420 -0.752) 2.900 7.177 ( -0.710 -4.588 -0.280) 4.651 7.826 ( -0.202 0.534 0.218) 0.611 7.851 ( -1.456 -0.244 0.045) 1.477 8.425 ( -2.302 3.454 -0.565) 4.189 8.504 ( -2.956 -0.393 -0.594) 3.041 11.873 ( -1.534 1.112 1.547) 2.447 11.962 ( -4.873 -0.696 -2.038) 5.327 12.433 ( -1.846 11.042 1.585) 11.307 12.658 ( -1.513 0.845 0.239) 1.749 13.019 ( -2.321 0.079 0.695) 2.424 13.266 ( -2.387 -7.210 1.136) 7.679 14.034 ( 0.052 2.688 -0.191) 2.696 14.116 ( -1.463 2.380 0.292) 2.809 14.381 ( 4.676 -0.973 -0.863) 4.853 14.412 ( 1.726 -3.934 0.626) 4.342 14.732 ( -1.018 3.522 2.933) 4.695 14.798 ( -1.992 3.821 -1.097) 4.447 15.845 ( 9.066 -0.741 -2.109) 9.337 16.596 ( 6.673 -32.303 -12.854) 35.401 16.990 ( -1.003 16.561 6.281) 17.740 17.773 ( 1.368 -11.355 4.314) 12.223 18.524 ( -2.875 7.065 0.733) 7.663 18.949 ( -2.513 -5.607 0.927) 6.214 19.266 ( -0.053 12.048 -1.687) 12.166 19.588 ( -0.563 -0.406 0.918) 1.151 19.903 ( 3.811 0.483 0.442) 3.867 20.063 ( -1.940 -3.781 1.294) 4.443 20.220 ( 1.582 3.555 0.550) 3.930 20.367 ( 0.572 -2.771 -3.089) 4.189 ======================= Grid point 10 (8/48) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.583 ( 0.000 2.279 0.000) 2.279 0.625 ( 0.000 -1.644 0.000) 1.644 0.725 ( 0.000 -10.652 -0.000) 10.652 0.746 ( -0.000 -10.026 -0.000) 10.026 0.964 ( 0.000 -2.022 -0.000) 2.022 1.057 ( 0.000 4.400 0.000) 4.400 1.083 ( 0.000 1.992 -0.000) 1.992 1.114 ( -0.000 1.742 0.000) 1.742 1.138 ( 0.000 -9.206 -0.000) 9.206 1.172 ( 0.000 -0.558 -0.000) 0.558 1.368 ( 0.000 7.346 0.000) 7.346 1.386 ( 0.000 0.491 0.000) 0.491 1.490 ( 0.000 2.843 0.000) 2.843 1.528 ( 0.000 -4.562 -0.000) 4.562 1.587 ( 0.000 1.808 0.000) 1.808 1.625 ( 0.000 -0.837 0.000) 0.837 1.630 ( 0.000 6.667 -0.000) 6.667 1.731 ( 0.000 0.333 -0.000) 0.333 1.759 ( 0.000 3.806 -0.000) 3.806 1.783 ( -0.000 -0.183 -0.000) 0.183 1.822 ( 0.000 -1.712 0.000) 1.712 1.865 ( 0.000 -0.026 -0.000) 0.026 1.882 ( 0.000 -0.177 0.000) 0.177 1.930 ( 0.000 2.199 0.000) 2.199 1.951 ( 0.000 0.459 -0.000) 0.459 2.019 ( 0.000 -3.966 0.000) 3.966 2.064 ( 0.000 0.849 -0.000) 0.849 2.128 ( -0.000 3.032 -0.000) 3.032 2.131 ( 0.000 2.363 0.000) 2.363 2.211 ( 0.000 -3.006 0.000) 3.006 2.264 ( 0.000 -3.356 -0.000) 3.356 2.326 ( 0.000 3.503 -0.000) 3.503 2.331 ( -0.000 -7.133 0.000) 7.133 2.406 ( 0.000 -3.249 -0.000) 3.249 2.447 ( 0.000 -3.336 0.000) 3.336 2.540 ( 0.000 -2.099 0.000) 2.099 2.642 ( 0.000 0.810 -0.000) 0.810 2.643 ( -0.000 4.020 0.000) 4.020 2.684 ( 0.000 1.648 0.000) 1.648 2.752 ( 0.000 -0.734 -0.000) 0.734 2.789 ( 0.000 1.528 0.000) 1.528 2.807 ( 0.000 -3.089 -0.000) 3.089 2.885 ( 0.000 3.512 0.000) 3.512 2.958 ( 0.000 1.506 0.000) 1.506 2.973 ( 0.000 1.089 -0.000) 1.089 2.994 ( 0.000 6.090 0.000) 6.090 3.047 ( 0.000 1.539 0.000) 1.539 3.168 ( 0.000 -2.820 0.000) 2.820 3.207 ( 0.000 -0.187 -0.000) 0.187 3.348 ( 0.000 -4.488 0.000) 4.488 3.443 ( 0.000 -4.214 0.000) 4.214 3.452 ( 0.000 -8.216 -0.000) 8.216 4.123 ( 0.000 -0.693 0.000) 0.693 4.135 ( 0.000 -1.189 0.000) 1.189 4.320 ( 0.000 3.865 -0.000) 3.865 4.374 ( 0.000 1.230 0.000) 1.230 4.607 ( 0.000 7.047 -0.000) 7.047 4.956 ( 0.000 -4.758 0.000) 4.758 5.092 ( 0.000 2.047 0.000) 2.047 5.149 ( 0.000 -0.646 -0.000) 0.646 5.193 ( 0.000 2.490 -0.000) 2.490 5.425 ( 0.000 -6.778 0.000) 6.778 5.571 ( 0.000 -0.853 0.000) 0.853 5.613 ( 0.000 0.476 -0.000) 0.476 5.648 ( 0.000 -1.724 0.000) 1.724 5.683 ( 0.000 -3.284 -0.000) 3.284 5.923 ( 0.000 2.933 0.000) 2.933 6.081 ( 0.000 1.456 0.000) 1.456 6.103 ( 0.000 -3.080 -0.000) 3.080 6.160 ( 0.000 -2.133 0.000) 2.133 6.259 ( 0.000 5.566 -0.000) 5.566 6.318 ( 0.000 0.571 0.000) 0.571 6.352 ( 0.000 5.280 -0.000) 5.280 6.450 ( 0.000 5.135 0.000) 5.135 6.506 ( 0.000 -0.527 0.000) 0.527 6.664 ( 0.000 -2.323 0.000) 2.323 6.740 ( 0.000 1.479 0.000) 1.479 6.760 ( 0.000 -0.689 -0.000) 0.689 6.934 ( 0.000 1.961 -0.000) 1.961 7.168 ( 0.000 -4.923 0.000) 4.923 7.825 ( -0.000 0.376 0.000) 0.376 7.834 ( 0.000 0.231 0.000) 0.231 8.406 ( 0.000 1.542 -0.000) 1.542 8.469 ( 0.000 -0.954 -0.000) 0.954 11.875 ( 0.000 -0.053 0.000) 0.053 11.894 ( -0.000 -1.058 -0.000) 1.058 12.422 ( 0.000 9.723 0.000) 9.723 12.642 ( 0.000 0.282 -0.000) 0.282 12.996 ( 0.000 -0.110 0.000) 0.110 13.244 ( 0.000 -7.890 0.000) 7.890 14.035 ( 0.000 2.856 0.000) 2.856 14.099 ( 0.000 2.506 -0.000) 2.506 14.432 ( 0.000 -3.055 -0.000) 3.055 14.434 ( 0.000 -1.380 0.000) 1.380 14.742 ( 0.000 3.784 -0.000) 3.784 14.761 ( 0.000 4.018 0.000) 4.018 15.933 ( 0.000 -1.653 -0.000) 1.653 16.613 ( 0.000 -29.421 -0.000) 29.421 16.998 ( 0.000 17.978 -0.000) 17.978 17.798 ( 0.000 -8.445 0.000) 8.445 18.493 ( 0.000 5.489 0.000) 5.489 18.926 ( 0.000 -6.128 -0.000) 6.128 19.254 ( 0.000 14.441 0.000) 14.441 19.591 ( 0.000 -0.852 -0.000) 0.852 19.952 ( 0.000 -1.065 -0.000) 1.065 20.042 ( 0.000 -4.599 0.000) 4.599 20.239 ( 0.000 3.661 0.000) 3.661 20.362 ( 0.000 -1.948 -0.000) 1.948 ======================= Grid point 14 (9/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.598 ( 0.000 -1.884 0.000) 1.884 0.598 ( 0.000 1.884 0.000) 1.884 0.698 ( 0.000 -13.215 0.000) 13.215 0.698 ( 0.000 13.215 0.000) 13.215 0.851 ( 0.000 -7.295 0.000) 7.295 0.851 ( 0.000 7.295 0.000) 7.295 0.974 ( 0.000 -0.502 0.000) 0.502 0.974 ( 0.000 0.502 0.000) 0.502 1.133 ( 0.000 -3.673 0.000) 3.673 1.133 ( 0.000 3.673 0.000) 3.673 1.233 ( 0.000 -1.085 0.000) 1.085 1.233 ( 0.000 1.085 0.000) 1.085 1.456 ( 0.000 -1.239 0.000) 1.239 1.456 ( 0.000 1.239 0.000) 1.239 1.539 ( 0.000 -2.701 0.000) 2.701 1.539 ( 0.000 2.701 0.000) 2.701 1.726 ( 0.000 -1.072 0.000) 1.072 1.726 ( 0.000 1.072 0.000) 1.072 1.826 ( 0.000 -0.977 0.000) 0.977 1.826 ( 0.000 0.977 0.000) 0.977 1.834 ( 0.000 -2.357 0.000) 2.357 1.834 ( 0.000 2.357 0.000) 2.357 1.956 ( 0.000 -2.630 0.000) 2.630 1.956 ( 0.000 2.630 0.000) 2.630 2.008 ( 0.000 -4.113 0.000) 4.113 2.008 ( 0.000 4.113 0.000) 4.113 2.050 ( 0.000 -4.520 0.000) 4.520 2.050 ( 0.000 4.520 0.000) 4.520 2.140 ( 0.000 -0.605 0.000) 0.605 2.140 ( 0.000 0.605 0.000) 0.605 2.284 ( 0.000 -1.148 0.000) 1.148 2.284 ( 0.000 1.148 0.000) 1.148 2.419 ( 0.000 -0.907 0.000) 0.907 2.419 ( 0.000 0.907 0.000) 0.907 2.497 ( 0.000 -0.144 0.000) 0.144 2.497 ( 0.000 0.144 0.000) 0.144 2.614 ( 0.000 -0.865 0.000) 0.865 2.614 ( 0.000 0.865 0.000) 0.865 2.716 ( 0.000 -1.289 0.000) 1.289 2.716 ( 0.000 1.289 0.000) 1.289 2.915 ( 0.000 -5.884 0.000) 5.884 2.915 ( 0.000 5.884 0.000) 5.884 2.995 ( 0.000 -2.884 0.000) 2.884 2.995 ( 0.000 2.884 0.000) 2.884 3.008 ( 0.000 -3.103 0.000) 3.103 3.008 ( 0.000 3.103 0.000) 3.103 3.102 ( 0.000 -0.997 0.000) 0.997 3.102 ( 0.000 0.997 0.000) 0.997 3.256 ( 0.000 -2.202 0.000) 2.202 3.256 ( 0.000 2.202 0.000) 2.202 3.348 ( 0.000 -5.354 0.000) 5.354 3.348 ( 0.000 5.354 0.000) 5.354 4.193 ( 0.000 -1.264 0.000) 1.264 4.193 ( 0.000 1.264 0.000) 1.264 4.398 ( 0.000 -1.501 0.000) 1.501 4.398 ( 0.000 1.501 0.000) 1.501 4.748 ( 0.000 -4.469 0.000) 4.469 4.748 ( 0.000 4.469 0.000) 4.469 5.053 ( 0.000 -0.933 0.000) 0.933 5.053 ( 0.000 0.933 0.000) 0.933 5.389 ( 0.000 -7.596 0.000) 7.596 5.389 ( 0.000 7.596 0.000) 7.596 5.559 ( 0.000 -0.469 0.000) 0.469 5.559 ( 0.000 0.469 0.000) 0.469 5.595 ( 0.000 -1.352 0.000) 1.352 5.595 ( 0.000 1.352 0.000) 1.352 5.983 ( 0.000 -5.699 0.000) 5.699 5.983 ( 0.000 5.699 0.000) 5.699 6.137 ( 0.000 -3.995 0.000) 3.995 6.137 ( 0.000 3.995 0.000) 3.995 6.318 ( 0.000 -2.660 0.000) 2.660 6.318 ( 0.000 2.660 0.000) 2.660 6.480 ( 0.000 -1.970 0.000) 1.970 6.480 ( 0.000 1.970 0.000) 1.970 6.571 ( 0.000 -4.253 0.000) 4.253 6.571 ( 0.000 4.253 0.000) 4.253 6.736 ( 0.000 -0.488 0.000) 0.488 6.736 ( 0.000 0.488 0.000) 0.488 7.093 ( 0.000 -5.279 0.000) 5.279 7.093 ( 0.000 5.279 0.000) 5.279 7.860 ( 0.000 -1.640 0.000) 1.640 7.860 ( 0.000 1.640 0.000) 1.640 8.681 ( 0.000 -3.015 0.000) 3.015 8.681 ( 0.000 3.015 0.000) 3.015 12.080 ( 0.000 -5.951 0.000) 5.951 12.080 ( 0.000 5.951 0.000) 5.951 12.785 ( 0.000 -3.386 0.000) 3.386 12.785 ( 0.000 3.386 0.000) 3.386 13.226 ( 0.000 -4.087 0.000) 4.087 13.226 ( 0.000 4.087 0.000) 4.087 14.134 ( 0.000 -3.528 0.000) 3.528 14.134 ( 0.000 3.528 0.000) 3.528 14.228 ( 0.000 -1.230 0.000) 1.230 14.228 ( 0.000 1.230 0.000) 1.230 15.090 ( 0.000 -7.803 0.000) 7.803 15.090 ( 0.000 7.803 0.000) 7.803 15.326 ( 0.000 -10.050 0.000) 10.050 15.326 ( 0.000 10.050 0.000) 10.050 17.312 ( 0.000 -15.795 0.000) 15.795 17.312 ( 0.000 15.795 0.000) 15.795 18.873 ( 0.000 -11.056 0.000) 11.056 18.873 ( 0.000 11.056 0.000) 11.056 19.373 ( 0.000 -9.443 0.000) 9.443 19.373 ( 0.000 9.443 0.000) 9.443 20.094 ( 0.000 -3.843 0.000) 3.843 20.094 ( 0.000 3.843 0.000) 3.843 20.216 ( 0.000 -3.879 0.000) 3.879 20.216 ( 0.000 3.879 0.000) 3.879 ======================= Grid point 16 (10/48) ======================= q-point: ( 0.17 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.519 ( -3.003 -14.444 1.593) 14.838 0.519 ( -3.003 14.444 1.593) 14.838 0.679 ( 0.235 -10.233 -7.744) 12.835 0.679 ( 0.235 10.233 -7.744) 12.835 0.903 ( 2.149 -6.625 -1.351) 7.094 0.903 ( 2.149 6.625 -1.351) 7.094 1.008 ( 1.823 -2.351 -0.942) 3.121 1.008 ( 1.823 2.351 -0.942) 3.121 1.176 ( 4.273 -6.721 1.803) 8.166 1.176 ( 4.273 6.721 1.803) 8.166 1.268 ( 3.932 -1.319 0.396) 4.166 1.268 ( 3.932 1.319 0.396) 4.166 1.421 ( -0.385 -2.813 -3.029) 4.152 1.421 ( -0.385 2.813 -3.029) 4.152 1.611 ( 3.294 -2.252 4.473) 5.994 1.611 ( 3.294 2.252 4.473) 5.994 1.725 ( -0.605 -0.587 0.620) 1.047 1.725 ( -0.605 0.587 0.620) 1.047 1.785 ( -1.239 -2.311 -2.489) 3.615 1.785 ( -1.239 2.311 -2.489) 3.615 1.870 ( -0.191 -3.502 3.811) 5.179 1.870 ( -0.191 3.502 3.811) 5.179 1.939 ( -0.328 -0.936 -0.226) 1.017 1.939 ( -0.328 0.936 -0.226) 1.017 1.987 ( -2.131 -0.626 0.084) 2.223 1.987 ( -2.131 0.626 0.084) 2.223 2.064 ( 1.349 -2.048 -1.269) 2.761 2.064 ( 1.349 2.048 -1.269) 2.761 2.118 ( -1.094 -0.868 0.852) 1.636 2.118 ( -1.094 0.868 0.852) 1.636 2.294 ( -0.263 -0.816 1.764) 1.961 2.294 ( -0.263 0.816 1.764) 1.961 2.409 ( -0.576 -0.939 -0.637) 1.273 2.409 ( -0.576 0.939 -0.637) 1.273 2.551 ( 2.433 -1.560 -1.082) 3.086 2.551 ( 2.433 1.560 -1.082) 3.086 2.599 ( -0.065 -0.499 0.185) 0.536 2.599 ( -0.065 0.499 0.185) 0.536 2.703 ( -0.882 -2.117 0.003) 2.293 2.703 ( -0.882 2.117 0.003) 2.293 2.854 ( -2.682 -4.206 -2.522) 5.590 2.854 ( -2.682 4.206 -2.522) 5.590 2.987 ( -1.069 -1.396 -1.029) 2.037 2.987 ( -1.069 1.396 -1.029) 2.037 3.041 ( -0.190 -3.107 5.208) 6.068 3.041 ( -0.190 3.107 5.208) 6.068 3.085 ( -1.052 -1.783 1.283) 2.435 3.085 ( -1.052 1.783 1.283) 2.435 3.277 ( 1.112 -0.795 -1.478) 2.013 3.277 ( 1.112 0.795 -1.478) 2.013 3.359 ( 1.440 -4.882 -1.681) 5.361 3.359 ( 1.440 4.882 -1.681) 5.361 4.172 ( -1.966 -1.712 0.698) 2.699 4.172 ( -1.966 1.712 0.698) 2.699 4.387 ( -1.425 -0.663 2.476) 2.932 4.387 ( -1.425 0.663 2.476) 2.932 4.757 ( 1.394 -5.918 -2.009) 6.404 4.757 ( 1.394 5.918 -2.009) 6.404 5.077 ( 1.484 -1.243 1.795) 2.639 5.077 ( 1.484 1.243 1.795) 2.639 5.358 ( -2.502 -6.625 -0.536) 7.102 5.358 ( -2.502 6.625 -0.536) 7.102 5.575 ( 1.524 -0.767 -1.186) 2.078 5.575 ( 1.524 0.767 -1.186) 2.078 5.604 ( 0.660 -1.496 0.618) 1.748 5.604 ( 0.660 1.496 0.618) 1.748 5.987 ( 0.398 -5.585 0.235) 5.604 5.987 ( 0.398 5.585 0.235) 5.604 6.129 ( -0.677 -3.655 0.283) 3.727 6.129 ( -0.677 3.655 0.283) 3.727 6.315 ( -0.048 -2.109 -0.333) 2.136 6.315 ( -0.048 2.109 -0.333) 2.136 6.477 ( -0.303 -2.158 0.053) 2.180 6.477 ( -0.303 2.158 0.053) 2.180 6.572 ( 0.073 -4.754 0.140) 4.757 6.572 ( 0.073 4.754 0.140) 4.757 6.740 ( 0.379 -0.634 -0.093) 0.744 6.740 ( 0.379 0.634 -0.093) 0.744 7.081 ( -1.076 -5.428 -0.315) 5.543 7.081 ( -1.076 5.428 -0.315) 5.543 7.854 ( -0.584 -1.316 0.101) 1.443 7.854 ( -0.584 1.316 0.101) 1.443 8.600 ( -6.027 -0.234 -1.570) 6.232 8.600 ( -6.027 0.234 -1.570) 6.232 12.018 ( -4.470 -4.777 -2.603) 7.041 12.018 ( -4.470 4.777 -2.603) 7.041 12.713 ( -4.658 -2.482 -1.974) 5.635 12.713 ( -4.658 2.482 -1.974) 5.635 13.167 ( -4.871 -6.802 1.851) 8.568 13.167 ( -4.871 6.802 1.851) 8.568 14.127 ( -1.140 -4.130 1.932) 4.700 14.127 ( -1.140 4.130 1.932) 4.700 14.275 ( 4.530 -0.855 -1.706) 4.916 14.275 ( 4.530 0.855 -1.706) 4.916 14.886 ( -7.719 -2.430 2.549) 8.484 14.886 ( -7.719 2.430 2.549) 8.484 15.729 ( 22.979 -14.998 -7.080) 28.339 15.729 ( 22.979 14.998 -7.080) 28.339 17.336 ( 0.544 -16.980 7.499) 18.570 17.336 ( 0.544 16.980 7.499) 18.570 18.833 ( -3.369 -10.705 -0.210) 11.224 18.833 ( -3.369 10.705 -0.210) 11.224 19.419 ( 3.186 -9.188 2.515) 10.045 19.419 ( 3.186 9.188 2.515) 10.045 20.031 ( -4.118 -4.975 -0.724) 6.499 20.031 ( -4.118 4.975 -0.724) 6.499 20.257 ( 3.124 -4.228 -2.097) 5.660 20.257 ( 3.124 4.228 -2.097) 5.660 ======================= Grid point 18 (11/48) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.542 ( 3.343 -7.809 -0.732) 8.526 0.542 ( 3.343 7.809 -0.732) 8.526 0.638 ( 0.064 -5.157 -6.792) 8.528 0.638 ( 0.064 5.157 -6.792) 8.528 0.943 ( 2.324 -4.352 -0.060) 4.934 0.943 ( 2.324 4.352 -0.060) 4.934 1.050 ( 2.792 -2.258 1.644) 3.949 1.050 ( 2.792 2.258 1.644) 3.949 1.205 ( -1.231 -0.850 -2.095) 2.574 1.205 ( -1.231 0.850 -2.095) 2.574 1.387 ( 4.428 -3.644 -0.149) 5.737 1.387 ( 4.428 3.644 -0.149) 5.737 1.443 ( 3.968 -5.018 -0.575) 6.423 1.443 ( 3.968 5.018 -0.575) 6.423 1.656 ( -3.260 -1.727 1.050) 3.836 1.656 ( -3.260 1.727 1.050) 3.836 1.707 ( 1.201 -0.090 3.034) 3.264 1.707 ( 1.201 0.090 3.034) 3.264 1.779 ( 0.829 -3.057 -0.378) 3.190 1.779 ( 0.829 3.057 -0.378) 3.190 1.853 ( -1.801 -1.912 0.776) 2.739 1.853 ( -1.801 1.912 0.776) 2.739 1.929 ( -1.901 -1.306 0.122) 2.310 1.929 ( -1.901 1.306 0.122) 2.310 1.962 ( 0.721 -2.323 0.759) 2.548 1.962 ( 0.721 2.323 0.759) 2.548 2.085 ( 1.409 -2.420 -1.078) 3.001 2.085 ( 1.409 2.420 -1.078) 3.001 2.138 ( 1.820 -3.970 3.165) 5.394 2.138 ( 1.820 3.970 3.165) 5.394 2.267 ( -2.754 -1.915 -0.836) 3.456 2.267 ( -2.754 1.915 -0.836) 3.456 2.395 ( -0.260 -1.622 -1.281) 2.083 2.395 ( -0.260 1.622 -1.281) 2.083 2.498 ( -3.950 -2.315 -1.057) 4.699 2.498 ( -3.950 2.315 -1.057) 4.699 2.664 ( 3.466 -3.235 -1.214) 4.894 2.664 ( 3.466 3.235 -1.214) 4.894 2.695 ( -0.150 -1.474 2.525) 2.927 2.695 ( -0.150 1.474 2.525) 2.927 2.803 ( -1.520 -2.435 -1.089) 3.070 2.803 ( -1.520 2.435 -1.089) 3.070 2.954 ( -1.124 -1.367 -0.358) 1.806 2.954 ( -1.124 1.367 -0.358) 1.806 3.033 ( -0.815 -3.804 -0.578) 3.933 3.033 ( -0.815 3.804 -0.578) 3.933 3.106 ( 0.749 -4.692 5.229) 7.066 3.106 ( 0.749 4.692 5.229) 7.066 3.264 ( -0.825 -5.191 -3.921) 6.557 3.264 ( -0.825 5.191 -3.921) 6.557 3.368 ( 0.013 -3.018 -1.279) 3.278 3.368 ( 0.013 3.018 -1.279) 3.278 4.135 ( -1.658 -0.584 0.402) 1.803 4.135 ( -1.658 0.584 0.402) 1.803 4.378 ( -0.620 -1.158 2.150) 2.519 4.378 ( -0.620 1.158 2.150) 2.519 4.781 ( 1.466 -8.193 -0.867) 8.368 4.781 ( 1.466 8.193 -0.867) 8.368 5.114 ( 1.055 -1.246 1.458) 2.189 5.114 ( 1.055 1.246 1.458) 2.189 5.303 ( -2.186 -5.673 -0.583) 6.108 5.303 ( -2.186 5.673 -0.583) 6.108 5.594 ( 0.804 -1.943 -1.132) 2.388 5.594 ( 0.804 1.943 -1.132) 2.388 5.623 ( 0.765 -1.385 0.441) 1.642 5.623 ( 0.765 1.385 0.441) 1.642 6.002 ( 0.751 -5.025 0.404) 5.097 6.002 ( 0.751 5.025 0.404) 5.097 6.119 ( -0.288 -2.542 0.114) 2.561 6.119 ( -0.288 2.542 0.114) 2.561 6.315 ( 0.111 -1.200 -0.139) 1.213 6.315 ( 0.111 1.200 -0.139) 1.213 6.468 ( -0.508 -3.195 0.065) 3.236 6.468 ( -0.508 3.195 0.065) 3.236 6.576 ( 0.193 -5.218 -0.140) 5.224 6.576 ( 0.193 5.218 -0.140) 5.224 6.750 ( 0.616 -0.620 -0.035) 0.875 6.750 ( 0.616 0.620 -0.035) 0.875 7.051 ( -1.523 -5.956 -0.194) 6.151 7.051 ( -1.523 5.956 -0.194) 6.151 7.841 ( -0.604 -0.654 0.082) 0.894 7.841 ( -0.604 0.654 0.082) 0.894 8.484 ( -3.933 -1.689 -0.993) 4.394 8.484 ( -3.933 1.689 -0.993) 4.394 11.918 ( -3.381 -2.569 -2.019) 4.702 11.918 ( -3.381 2.569 -2.019) 4.702 12.632 ( -2.355 -4.744 -0.727) 5.346 12.632 ( -2.355 4.744 -0.727) 5.346 13.089 ( -3.325 -6.910 1.641) 7.842 13.089 ( -3.325 6.910 1.641) 7.842 14.113 ( -0.866 -3.216 1.125) 3.515 14.113 ( -0.866 3.216 1.125) 3.515 14.361 ( 3.922 -0.562 -1.217) 4.145 14.361 ( 3.922 0.562 -1.217) 4.145 14.815 ( -1.690 -2.564 2.199) 3.777 14.815 ( -1.690 2.564 2.199) 3.777 16.011 ( 8.961 -17.593 -7.322) 21.058 16.011 ( 8.961 17.593 -7.322) 21.058 17.401 ( 1.610 -19.222 6.166) 20.251 17.401 ( 1.610 19.222 6.166) 20.251 18.760 ( -3.039 -10.993 -0.285) 11.409 18.760 ( -3.039 10.993 -0.285) 11.409 19.488 ( 1.784 -8.053 1.753) 8.433 19.488 ( 1.784 8.053 1.753) 8.433 19.968 ( -1.297 -4.489 -0.628) 4.715 19.968 ( -1.297 4.489 -0.628) 4.715 20.297 ( 1.594 -3.390 -1.282) 3.960 20.297 ( 1.594 3.390 -1.282) 3.960 ======================= Grid point 20 (12/48) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 -0.226 0.000) 0.226 0.576 ( 0.000 0.226 0.000) 0.226 0.628 ( 0.000 -1.177 0.000) 1.177 0.628 ( 0.000 1.177 -0.000) 1.177 0.973 ( 0.000 -3.701 -0.000) 3.701 0.973 ( 0.000 3.701 -0.000) 3.701 1.122 ( -0.000 -2.144 -0.000) 2.144 1.122 ( -0.000 2.144 -0.000) 2.144 1.146 ( 0.000 -1.054 0.000) 1.054 1.146 ( 0.000 1.054 0.000) 1.054 1.429 ( 0.000 -3.651 0.000) 3.651 1.429 ( 0.000 3.651 0.000) 3.651 1.503 ( 0.000 -3.388 0.000) 3.388 1.503 ( 0.000 3.388 -0.000) 3.388 1.597 ( 0.000 -0.263 0.000) 0.263 1.597 ( 0.000 0.263 0.000) 0.263 1.753 ( 0.000 -3.333 0.000) 3.333 1.753 ( 0.000 3.333 0.000) 3.333 1.773 ( 0.000 -2.700 -0.000) 2.700 1.773 ( -0.000 2.700 -0.000) 2.700 1.835 ( 0.000 -1.752 -0.000) 1.752 1.835 ( 0.000 1.752 0.000) 1.752 1.908 ( 0.000 -0.876 0.000) 0.876 1.908 ( 0.000 0.876 0.000) 0.876 1.977 ( 0.000 -2.298 0.000) 2.298 1.977 ( 0.000 2.298 0.000) 2.298 2.105 ( 0.000 -4.084 0.000) 4.084 2.105 ( 0.000 4.084 0.000) 4.084 2.193 ( -0.000 -2.059 -0.000) 2.059 2.193 ( 0.000 2.059 0.000) 2.059 2.202 ( 0.000 -3.662 0.000) 3.662 2.202 ( 0.000 3.662 -0.000) 3.662 2.386 ( 0.000 -0.626 0.000) 0.626 2.386 ( 0.000 0.626 -0.000) 0.626 2.445 ( 0.000 -5.304 0.000) 5.304 2.445 ( 0.000 5.304 0.000) 5.304 2.688 ( 0.000 -0.874 0.000) 0.874 2.688 ( 0.000 0.874 -0.000) 0.874 2.716 ( -0.000 -3.183 0.000) 3.183 2.716 ( 0.000 3.183 -0.000) 3.183 2.782 ( 0.000 -2.381 0.000) 2.381 2.782 ( 0.000 2.381 0.000) 2.381 2.947 ( 0.000 -2.173 -0.000) 2.173 2.947 ( 0.000 2.173 0.000) 2.173 3.020 ( 0.000 -4.427 -0.000) 4.427 3.020 ( 0.000 4.427 0.000) 4.427 3.138 ( 0.000 -3.234 0.000) 3.234 3.138 ( 0.000 3.234 -0.000) 3.234 3.230 ( 0.000 -3.495 0.000) 3.495 3.230 ( 0.000 3.495 0.000) 3.495 3.362 ( 0.000 -1.058 0.000) 1.058 3.362 ( 0.000 1.058 -0.000) 1.058 4.118 ( 0.000 -0.299 -0.000) 0.299 4.118 ( 0.000 0.299 0.000) 0.299 4.379 ( 0.000 -1.180 -0.000) 1.180 4.379 ( 0.000 1.180 0.000) 1.180 4.796 ( 0.000 -9.000 -0.000) 9.000 4.796 ( 0.000 9.000 0.000) 9.000 5.129 ( 0.000 -1.214 0.000) 1.214 5.129 ( 0.000 1.214 -0.000) 1.214 5.277 ( 0.000 -5.298 -0.000) 5.298 5.277 ( 0.000 5.298 0.000) 5.298 5.599 ( 0.000 -2.315 0.000) 2.315 5.599 ( 0.000 2.315 -0.000) 2.315 5.633 ( 0.000 -1.444 -0.000) 1.444 5.633 ( 0.000 1.444 0.000) 1.444 6.012 ( 0.000 -4.578 0.000) 4.578 6.012 ( 0.000 4.578 0.000) 4.578 6.118 ( 0.000 -1.813 0.000) 1.813 6.118 ( 0.000 1.813 0.000) 1.813 6.316 ( 0.000 -0.855 -0.000) 0.855 6.316 ( 0.000 0.855 0.000) 0.855 6.462 ( 0.000 -3.770 -0.000) 3.770 6.462 ( 0.000 3.770 0.000) 3.770 6.577 ( 0.000 -5.211 0.000) 5.211 6.577 ( 0.000 5.211 -0.000) 5.211 6.758 ( 0.000 -0.025 -0.000) 0.025 6.758 ( 0.000 0.025 0.000) 0.025 7.032 ( 0.000 -6.428 0.000) 6.428 7.032 ( 0.000 6.428 0.000) 6.428 7.834 ( 0.000 -0.273 0.000) 0.273 7.834 ( 0.000 0.273 0.000) 0.273 8.441 ( 0.000 -1.492 -0.000) 1.492 8.441 ( 0.000 1.492 0.000) 1.492 11.877 ( 0.000 -0.372 0.000) 0.372 11.877 ( 0.000 0.372 -0.000) 0.372 12.607 ( 0.000 -4.821 -0.000) 4.821 12.607 ( 0.000 4.821 0.000) 4.821 13.058 ( 0.000 -6.751 0.000) 6.751 13.058 ( 0.000 6.751 0.000) 6.751 14.107 ( 0.000 -2.430 0.000) 2.430 14.107 ( 0.000 2.430 -0.000) 2.430 14.400 ( 0.000 -0.804 -0.000) 0.804 14.400 ( 0.000 0.804 -0.000) 0.804 14.808 ( 0.000 -0.859 -0.000) 0.859 14.808 ( 0.000 0.859 0.000) 0.859 16.072 ( 0.000 -16.180 0.000) 16.180 16.072 ( 0.000 16.180 -0.000) 16.180 17.437 ( 0.000 -20.105 0.000) 20.105 17.437 ( 0.000 20.105 -0.000) 20.105 18.726 ( 0.000 -11.469 0.000) 11.469 18.726 ( 0.000 11.469 0.000) 11.469 19.508 ( 0.000 -7.681 0.000) 7.681 19.508 ( 0.000 7.681 -0.000) 7.681 19.959 ( 0.000 -2.319 -0.000) 2.319 19.959 ( 0.000 2.319 -0.000) 2.319 20.310 ( 0.000 -2.755 0.000) 2.755 20.310 ( 0.000 2.755 0.000) 2.755 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.193 ( 12.612 0.000 8.505) 15.212 0.415 ( 1.860 0.000 16.254) 16.360 0.430 ( -12.245 0.000 12.036) 17.170 0.618 ( -1.638 0.000 9.437) 9.578 0.974 ( -4.473 0.000 -4.175) 6.119 1.019 ( -0.131 0.000 -9.197) 9.198 1.021 ( -2.866 0.000 5.896) 6.556 1.087 ( -1.272 0.000 2.302) 2.630 1.170 ( 1.268 0.000 -1.652) 2.083 1.182 ( 0.329 0.000 0.014) 0.329 1.259 ( 2.010 0.000 0.227) 2.023 1.292 ( 6.113 0.000 -0.899) 6.179 1.420 ( 2.126 0.000 -0.102) 2.128 1.573 ( -0.164 0.000 0.249) 0.298 1.574 ( 1.528 0.000 -0.086) 1.530 1.613 ( -3.499 0.000 1.482) 3.800 1.628 ( 0.473 0.000 -4.429) 4.454 1.658 ( 2.064 0.000 3.218) 3.823 1.691 ( -0.023 0.000 -5.186) 5.186 1.828 ( -1.222 0.000 -4.577) 4.737 1.864 ( 1.970 0.000 2.380) 3.089 1.878 ( -0.524 0.000 -1.512) 1.601 1.881 ( 1.972 0.000 -0.013) 1.972 1.892 ( -3.362 0.000 -2.221) 4.030 1.909 ( 0.542 0.000 2.685) 2.739 1.968 ( -0.132 0.000 -0.245) 0.278 2.072 ( 3.006 0.000 -5.914) 6.634 2.077 ( 1.364 0.000 2.942) 3.243 2.132 ( 1.383 0.000 3.100) 3.394 2.246 ( -1.051 0.000 -4.156) 4.287 2.252 ( -1.347 0.000 -0.666) 1.502 2.356 ( -0.384 0.000 -0.633) 0.740 2.451 ( -2.721 0.000 3.141) 4.156 2.452 ( 8.019 0.000 1.239) 8.114 2.539 ( -0.755 0.000 -0.765) 1.075 2.601 ( 1.283 0.000 -2.022) 2.394 2.604 ( 0.567 0.000 1.230) 1.354 2.615 ( -0.105 0.000 -0.551) 0.561 2.691 ( -2.138 0.000 -6.567) 6.906 2.712 ( 0.150 0.000 2.828) 2.832 2.740 ( -0.948 0.000 -1.944) 2.163 2.844 ( 1.524 0.000 -0.277) 1.549 2.954 ( -0.021 0.000 0.233) 0.234 3.007 ( -5.031 0.000 0.280) 5.039 3.011 ( -1.183 0.000 -3.540) 3.733 3.140 ( 0.788 0.000 1.132) 1.379 3.181 ( 3.212 0.000 -0.822) 3.316 3.197 ( -0.864 0.000 0.346) 0.931 3.212 ( -3.184 0.000 1.930) 3.724 3.249 ( 8.546 0.000 1.689) 8.711 3.291 ( 0.628 0.000 -3.015) 3.080 3.490 ( 0.604 0.000 -0.826) 1.023 4.176 ( -1.744 0.000 2.016) 2.666 4.327 ( 1.416 0.000 -0.632) 1.551 4.396 ( 6.590 0.000 2.004) 6.888 4.475 ( -3.282 0.000 1.387) 3.563 4.730 ( -6.274 0.000 3.430) 7.151 4.821 ( 0.154 0.000 -2.619) 2.624 5.128 ( -1.328 0.000 6.389) 6.526 5.165 ( 1.696 0.000 2.956) 3.408 5.397 ( 1.551 0.000 1.732) 2.325 5.506 ( 0.607 0.000 1.897) 1.992 5.537 ( 1.460 0.000 -0.592) 1.576 5.656 ( -3.187 0.000 4.127) 5.214 5.680 ( -5.791 0.000 4.563) 7.373 5.714 ( 0.825 0.000 -2.822) 2.940 5.823 ( 0.226 0.000 1.278) 1.297 5.990 ( 0.834 0.000 -3.668) 3.762 6.070 ( -0.353 0.000 -1.186) 1.237 6.145 ( 1.455 0.000 -4.180) 4.426 6.252 ( 0.778 0.000 -4.632) 4.696 6.278 ( -1.369 0.000 1.367) 1.934 6.395 ( -0.327 0.000 2.291) 2.315 6.406 ( -0.251 0.000 0.698) 0.742 6.498 ( 1.807 0.000 0.035) 1.808 6.606 ( 1.219 0.000 -3.535) 3.739 6.734 ( -0.321 0.000 -0.555) 0.641 6.743 ( 1.323 0.000 -2.246) 2.607 7.045 ( -1.797 0.000 6.004) 6.267 7.340 ( -4.309 0.000 -1.520) 4.569 7.885 ( -1.050 0.000 5.500) 5.600 8.015 ( -1.703 0.000 5.420) 5.681 8.320 ( 1.220 0.000 -2.541) 2.818 8.510 ( 1.187 0.000 -6.080) 6.195 11.870 ( 1.158 0.000 -0.111) 1.163 12.216 ( -1.335 0.000 -4.853) 5.033 12.685 ( -1.227 0.000 1.824) 2.198 12.809 ( 5.159 0.000 -1.093) 5.273 13.095 ( -0.003 0.000 0.398) 0.398 13.367 ( 7.672 0.000 -8.033) 11.109 14.086 ( 0.691 0.000 4.789) 4.838 14.127 ( -1.150 0.000 1.189) 1.654 14.233 ( -3.609 0.000 -0.565) 3.653 14.468 ( 1.945 0.000 -2.675) 3.308 14.729 ( 0.040 0.000 2.509) 2.509 15.134 ( -0.540 0.000 4.683) 4.714 15.494 ( -0.888 0.000 -3.023) 3.150 15.673 ( 0.424 0.000 -22.296) 22.300 17.111 ( 8.876 0.000 18.735) 20.732 17.842 ( 0.504 0.000 -2.977) 3.020 18.566 ( 7.362 0.000 0.865) 7.412 18.892 ( 1.461 0.000 -9.813) 9.922 19.296 ( -5.378 0.000 6.853) 8.711 19.615 ( -0.734 0.000 6.901) 6.940 19.694 ( 1.577 0.000 -3.463) 3.806 19.996 ( 4.168 0.000 -3.283) 5.306 20.202 ( 0.112 0.000 0.628) 0.638 20.297 ( -4.646 0.000 -0.930) 4.738 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 8.612 0.000 9.179) 12.587 0.494 ( 5.102 0.000 -0.309) 5.111 0.585 ( 7.468 0.000 6.949) 10.201 0.723 ( 7.002 0.000 14.778) 16.353 0.891 ( 0.595 0.000 -9.177) 9.197 1.002 ( -1.233 0.000 6.068) 6.192 1.015 ( 1.912 0.000 -2.595) 3.224 1.091 ( -0.190 0.000 3.235) 3.241 1.151 ( -0.769 0.000 1.713) 1.877 1.189 ( 1.700 0.000 -1.042) 1.994 1.347 ( 4.352 0.000 1.037) 4.474 1.375 ( 0.222 0.000 2.916) 2.924 1.470 ( 3.741 0.000 -6.166) 7.212 1.547 ( -1.843 0.000 -3.773) 4.199 1.548 ( -2.081 0.000 -1.453) 2.538 1.597 ( -1.189 0.000 8.108) 8.195 1.627 ( 1.765 0.000 -4.156) 4.516 1.668 ( 0.668 0.000 -3.646) 3.707 1.698 ( 0.331 0.000 0.802) 0.868 1.790 ( 0.351 0.000 -5.216) 5.227 1.815 ( -2.634 0.000 -0.573) 2.695 1.881 ( 1.623 0.000 -2.789) 3.227 1.891 ( 0.369 0.000 0.431) 0.567 1.899 ( -0.376 0.000 1.203) 1.260 1.939 ( 0.517 0.000 3.632) 3.668 1.979 ( 1.294 0.000 -0.808) 1.526 2.085 ( 0.214 0.000 -4.329) 4.335 2.095 ( -0.662 0.000 2.445) 2.533 2.174 ( -3.024 0.000 -6.008) 6.726 2.194 ( 2.590 0.000 2.855) 3.855 2.231 ( 0.145 0.000 -1.301) 1.309 2.355 ( 0.268 0.000 -0.157) 0.311 2.404 ( -1.663 0.000 1.330) 2.129 2.498 ( -2.166 0.000 0.032) 2.166 2.588 ( -0.433 0.000 -7.451) 7.464 2.601 ( -0.381 0.000 1.432) 1.482 2.608 ( -0.406 0.000 -1.509) 1.563 2.628 ( 0.665 0.000 -5.387) 5.428 2.639 ( 5.389 0.000 2.277) 5.851 2.691 ( -2.520 0.000 2.966) 3.891 2.774 ( 3.120 0.000 3.196) 4.466 2.838 ( -1.967 0.000 0.938) 2.179 2.923 ( -2.929 0.000 1.055) 3.114 2.945 ( -3.445 0.000 -2.264) 4.122 2.951 ( -0.366 0.000 -0.647) 0.743 3.095 ( -5.806 0.000 -0.508) 5.828 3.110 ( -4.098 0.000 1.440) 4.343 3.190 ( 1.090 0.000 -1.131) 1.570 3.210 ( 0.448 0.000 -0.371) 0.581 3.320 ( 2.835 0.000 -4.181) 5.052 3.460 ( 7.150 0.000 -1.566) 7.319 3.493 ( 0.334 0.000 -1.475) 1.512 4.151 ( -1.536 0.000 0.168) 1.545 4.302 ( -3.932 0.000 -0.948) 4.045 4.346 ( -6.457 0.000 1.557) 6.642 4.482 ( -0.501 0.000 3.040) 3.081 4.596 ( -5.469 0.000 3.587) 6.540 4.874 ( 4.228 0.000 -1.144) 4.380 5.140 ( -0.912 0.000 6.429) 6.493 5.208 ( 0.491 0.000 2.103) 2.160 5.374 ( -5.516 0.000 7.977) 9.698 5.484 ( -1.431 0.000 1.093) 1.800 5.578 ( 2.581 0.000 -0.053) 2.581 5.623 ( -0.882 0.000 3.109) 3.231 5.634 ( -1.395 0.000 3.003) 3.311 5.727 ( 1.709 0.000 -3.231) 3.655 5.850 ( 1.467 0.000 1.243) 1.923 5.998 ( 1.893 0.000 -2.583) 3.202 6.057 ( -0.092 0.000 -1.154) 1.158 6.155 ( 1.416 0.000 -3.292) 3.583 6.243 ( 0.853 0.000 -4.910) 4.983 6.244 ( -2.597 0.000 1.085) 2.814 6.384 ( -1.803 0.000 2.374) 2.981 6.403 ( -0.266 0.000 0.645) 0.698 6.520 ( 0.302 0.000 0.491) 0.577 6.616 ( 1.650 0.000 -4.221) 4.532 6.722 ( -0.394 0.000 -0.742) 0.840 6.762 ( 1.257 0.000 -1.169) 1.717 7.022 ( -3.356 0.000 5.541) 6.478 7.248 ( -2.841 0.000 0.065) 2.842 7.890 ( -1.355 0.000 5.539) 5.703 7.981 ( -4.029 0.000 6.244) 7.431 8.332 ( 1.229 0.000 -2.689) 2.957 8.484 ( -0.438 0.000 -6.057) 6.073 11.886 ( 0.085 0.000 1.543) 1.546 12.086 ( -7.098 0.000 -6.386) 9.548 12.635 ( -12.634 0.000 11.145) 16.847 12.663 ( -1.583 0.000 1.145) 1.954 13.077 ( -1.862 0.000 0.484) 1.924 13.345 ( -1.602 0.000 -6.393) 6.590 14.063 ( -2.843 0.000 4.913) 5.676 14.104 ( -1.464 0.000 0.217) 1.480 14.258 ( 5.239 0.000 -2.039) 5.622 14.470 ( -0.006 0.000 -1.800) 1.800 14.735 ( -0.657 0.000 2.596) 2.678 14.906 ( -9.485 0.000 9.987) 13.774 15.623 ( 12.787 0.000 -1.375) 12.861 16.168 ( 30.694 0.000 -36.370) 47.591 17.227 ( -5.606 0.000 15.673) 16.646 17.788 ( -3.077 0.000 -6.312) 7.022 18.596 ( -1.883 0.000 -1.799) 2.604 18.848 ( -0.217 0.000 -10.476) 10.478 19.230 ( -4.031 0.000 7.219) 8.268 19.633 ( -0.948 0.000 6.385) 6.455 19.801 ( 7.647 0.000 -2.444) 8.028 20.093 ( 6.077 0.000 -1.796) 6.337 20.199 ( -0.969 0.000 1.446) 1.740 20.258 ( 0.498 0.000 -5.057) 5.081 ======================= Grid point 37 (15/48) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 1.253 0.000 1.196) 1.732 0.703 ( 11.741 0.000 10.113) 15.496 0.747 ( 6.859 0.000 -3.188) 7.563 0.851 ( 1.321 0.000 5.315) 5.477 0.880 ( 2.242 0.000 -9.434) 9.697 1.036 ( -0.073 0.000 4.270) 4.270 1.059 ( 1.933 0.000 1.916) 2.722 1.096 ( -0.804 0.000 4.252) 4.327 1.222 ( 4.051 0.000 3.134) 5.122 1.235 ( 2.466 0.000 1.652) 2.969 1.331 ( -4.905 0.000 1.539) 5.140 1.406 ( -0.074 0.000 1.308) 1.310 1.445 ( -1.481 0.000 -2.570) 2.967 1.494 ( -1.060 0.000 -2.325) 2.555 1.537 ( 1.694 0.000 -5.089) 5.364 1.636 ( -0.394 0.000 5.077) 5.093 1.650 ( 2.272 0.000 -2.614) 3.464 1.670 ( 1.786 0.000 -0.616) 1.889 1.706 ( 0.714 0.000 0.963) 1.199 1.762 ( -2.655 0.000 -1.978) 3.310 1.786 ( 1.468 0.000 -4.728) 4.951 1.889 ( -0.185 0.000 0.912) 0.930 1.891 ( -0.527 0.000 -0.160) 0.551 1.901 ( 0.908 0.000 -0.657) 1.121 1.954 ( -1.214 0.000 3.218) 3.439 2.026 ( 3.716 0.000 0.137) 3.718 2.053 ( -0.330 0.000 -3.860) 3.874 2.082 ( -1.168 0.000 -3.217) 3.422 2.101 ( -1.168 0.000 1.412) 1.832 2.233 ( 0.080 0.000 1.151) 1.154 2.235 ( 0.993 0.000 -2.650) 2.830 2.369 ( -0.132 0.000 2.071) 2.075 2.390 ( -1.571 0.000 -1.615) 2.253 2.466 ( -1.594 0.000 0.141) 1.600 2.507 ( -1.967 0.000 -9.091) 9.301 2.559 ( -1.051 0.000 -2.043) 2.298 2.592 ( 0.938 0.000 -2.488) 2.659 2.613 ( -0.695 0.000 0.659) 0.958 2.667 ( -1.068 0.000 2.632) 2.840 2.776 ( 3.709 0.000 3.843) 5.341 2.802 ( -1.940 0.000 2.207) 2.938 2.825 ( -1.171 0.000 0.806) 1.422 2.887 ( -0.078 0.000 -1.834) 1.836 2.894 ( -0.994 0.000 2.358) 2.558 2.929 ( 0.458 0.000 -0.684) 0.823 3.022 ( -4.584 0.000 2.698) 5.319 3.037 ( 0.617 0.000 0.561) 0.834 3.213 ( -0.027 0.000 -0.309) 0.310 3.221 ( 1.536 0.000 1.060) 1.866 3.332 ( 0.937 0.000 -5.173) 5.257 3.488 ( -0.030 0.000 -1.867) 1.867 3.527 ( 0.984 0.000 -2.775) 2.944 4.123 ( -0.354 0.000 -1.819) 1.854 4.194 ( -4.536 0.000 0.779) 4.602 4.279 ( -1.964 0.000 0.901) 2.160 4.418 ( -4.199 0.000 1.711) 4.534 4.596 ( 0.354 0.000 6.567) 6.576 4.952 ( 3.631 0.000 -0.267) 3.641 5.152 ( -1.333 0.000 6.857) 6.986 5.203 ( -1.502 0.000 1.564) 2.168 5.313 ( -4.882 0.000 10.096) 11.215 5.471 ( -0.231 0.000 -1.044) 1.069 5.612 ( -0.232 0.000 0.705) 0.743 5.626 ( 2.071 0.000 -1.783) 2.733 5.653 ( 0.105 0.000 4.609) 4.610 5.731 ( 0.334 0.000 -3.465) 3.481 5.883 ( 1.186 0.000 0.239) 1.210 6.044 ( 3.279 0.000 -1.490) 3.601 6.055 ( 0.284 0.000 -0.727) 0.781 6.164 ( 0.422 0.000 -2.984) 3.014 6.190 ( -2.596 0.000 1.549) 3.023 6.240 ( 1.319 0.000 -4.598) 4.783 6.357 ( -1.932 0.000 2.916) 3.498 6.402 ( -0.099 0.000 0.183) 0.208 6.521 ( -0.449 0.000 0.582) 0.735 6.626 ( 1.554 0.000 -4.689) 4.940 6.715 ( 0.083 0.000 -0.420) 0.428 6.774 ( 0.128 0.000 -0.430) 0.449 6.980 ( -2.752 0.000 4.376) 5.170 7.215 ( -0.537 0.000 -1.096) 1.221 7.888 ( -1.547 0.000 5.419) 5.635 7.932 ( -3.788 0.000 6.562) 7.577 8.341 ( 1.143 0.000 -3.470) 3.653 8.441 ( -0.405 0.000 -5.546) 5.561 11.890 ( -0.625 0.000 1.372) 1.508 11.917 ( -5.513 0.000 -5.901) 8.076 12.509 ( -6.770 0.000 11.740) 13.552 12.642 ( -0.672 0.000 0.761) 1.015 13.037 ( -1.997 0.000 0.630) 2.094 13.289 ( -0.616 0.000 -6.166) 6.197 14.050 ( -1.128 0.000 4.298) 4.443 14.077 ( -1.009 0.000 0.503) 1.127 14.365 ( 5.420 0.000 -1.602) 5.652 14.461 ( -0.030 0.000 -1.912) 1.912 14.734 ( -0.650 0.000 2.510) 2.593 14.798 ( -5.610 0.000 4.628) 7.273 15.889 ( 10.884 0.000 1.777) 11.028 16.472 ( 15.186 0.000 -21.817) 26.582 17.174 ( -4.076 0.000 12.397) 13.049 17.689 ( -1.509 0.000 -9.269) 9.391 18.531 ( -2.982 0.000 -3.213) 4.384 18.789 ( 0.211 0.000 -10.833) 10.835 19.223 ( -1.317 0.000 10.867) 10.946 19.645 ( -0.787 0.000 4.930) 4.993 19.910 ( 3.810 0.000 -2.469) 4.540 20.181 ( -1.678 0.000 2.488) 3.001 20.181 ( 0.181 0.000 1.200) 1.214 20.251 ( 4.531 0.000 -9.099) 10.165 ======================= Grid point 38 (16/48) ======================= q-point: (-0.50 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.562 ( -1.593 0.000 9.594) 9.725 0.766 ( -3.181 0.000 -9.889) 10.388 0.818 ( -0.787 0.000 7.121) 7.164 0.905 ( 4.215 0.000 -1.870) 4.611 0.967 ( -4.037 0.000 5.371) 6.719 1.044 ( 6.509 0.000 -1.508) 6.681 1.080 ( -1.641 0.000 3.233) 3.626 1.106 ( -0.850 0.000 5.652) 5.715 1.216 ( -2.768 0.000 1.663) 3.229 1.244 ( -1.637 0.000 -0.715) 1.787 1.334 ( 2.737 0.000 -0.795) 2.850 1.357 ( -4.378 0.000 -0.242) 4.385 1.427 ( 0.716 0.000 -0.920) 1.166 1.497 ( 0.523 0.000 1.252) 1.357 1.536 ( 0.611 0.000 -3.151) 3.210 1.615 ( -1.465 0.000 0.254) 1.487 1.641 ( -5.061 0.000 -2.246) 5.538 1.692 ( 2.217 0.000 -1.522) 2.689 1.714 ( 1.351 0.000 -1.346) 1.907 1.765 ( 2.593 0.000 -0.445) 2.631 1.793 ( 1.235 0.000 -2.675) 2.947 1.880 ( -0.650 0.000 -0.132) 0.663 1.908 ( -0.533 0.000 -2.116) 2.182 1.913 ( 1.043 0.000 3.107) 3.277 1.921 ( -2.280 0.000 0.638) 2.367 2.029 ( -0.605 0.000 -3.171) 3.228 2.072 ( 0.059 0.000 -0.323) 0.328 2.100 ( 0.779 0.000 2.858) 2.962 2.120 ( 4.074 0.000 1.059) 4.210 2.240 ( 0.187 0.000 0.607) 0.635 2.245 ( -4.619 0.000 -3.136) 5.583 2.246 ( 0.820 0.000 -1.781) 1.960 2.412 ( 3.760 0.000 -3.140) 4.899 2.422 ( -1.132 0.000 -1.978) 2.279 2.504 ( 3.070 0.000 -4.327) 5.306 2.539 ( -2.287 0.000 0.271) 2.303 2.600 ( -0.441 0.000 0.866) 0.971 2.610 ( -0.153 0.000 1.013) 1.025 2.676 ( 0.892 0.000 0.935) 1.292 2.763 ( -0.816 0.000 -1.531) 1.735 2.794 ( -1.354 0.000 0.662) 1.507 2.820 ( 0.445 0.000 2.985) 3.018 2.871 ( -0.891 0.000 1.597) 1.829 2.922 ( 0.067 0.000 0.589) 0.592 2.979 ( 2.527 0.000 -0.393) 2.557 3.004 ( 2.619 0.000 4.427) 5.144 3.094 ( 2.873 0.000 4.902) 5.681 3.207 ( -0.293 0.000 -0.493) 0.574 3.229 ( -2.030 0.000 1.541) 2.549 3.319 ( 0.735 0.000 -5.965) 6.010 3.475 ( -0.180 0.000 -1.858) 1.867 3.499 ( -0.324 0.000 -6.385) 6.393 4.125 ( 1.270 0.000 -1.458) 1.934 4.138 ( -1.280 0.000 0.308) 1.316 4.273 ( 0.771 0.000 1.637) 1.810 4.354 ( -2.885 0.000 -0.051) 2.885 4.644 ( 0.265 0.000 9.368) 9.372 5.006 ( 1.225 0.000 0.191) 1.240 5.162 ( -1.425 0.000 7.510) 7.644 5.181 ( -1.203 0.000 1.453) 1.887 5.271 ( -4.030 0.000 8.609) 9.506 5.463 ( 0.140 0.000 -1.302) 1.310 5.617 ( -1.574 0.000 -3.929) 4.232 5.625 ( 0.478 0.000 2.796) 2.837 5.676 ( -0.202 0.000 4.409) 4.414 5.730 ( 1.339 0.000 -2.657) 2.975 5.892 ( -0.193 0.000 -0.884) 0.905 6.061 ( 0.558 0.000 -0.466) 0.727 6.071 ( -1.214 0.000 -1.975) 2.318 6.127 ( 0.335 0.000 -3.240) 3.258 6.202 ( 1.690 0.000 1.954) 2.584 6.248 ( 1.590 0.000 -4.208) 4.499 6.343 ( -1.020 0.000 3.300) 3.454 6.401 ( -0.038 0.000 0.015) 0.041 6.510 ( -0.799 0.000 0.206) 0.825 6.626 ( 0.735 0.000 -4.519) 4.578 6.720 ( 0.426 0.000 0.080) 0.433 6.761 ( -0.912 0.000 -0.827) 1.231 6.973 ( -0.079 0.000 3.970) 3.971 7.210 ( 0.735 0.000 -1.428) 1.606 7.888 ( -1.427 0.000 5.638) 5.816 7.904 ( -1.913 0.000 6.286) 6.571 8.337 ( 0.395 0.000 -4.336) 4.354 8.425 ( 1.742 0.000 -4.834) 5.138 11.822 ( -0.937 0.000 -4.207) 4.310 11.869 ( -1.433 0.000 -0.853) 1.668 12.451 ( -4.869 0.000 10.084) 11.197 12.650 ( 0.789 0.000 1.495) 1.691 13.015 ( -0.304 0.000 0.734) 0.794 13.258 ( 0.796 0.000 -6.520) 6.569 14.052 ( -0.921 0.000 4.033) 4.137 14.081 ( 0.813 0.000 2.209) 2.354 14.420 ( -0.003 0.000 -1.750) 1.750 14.440 ( -0.788 0.000 -2.885) 2.990 14.731 ( -0.979 0.000 1.902) 2.140 14.748 ( -0.503 0.000 3.115) 3.155 16.020 ( 0.269 0.000 2.730) 2.743 16.570 ( 4.141 0.000 -11.492) 12.215 17.239 ( 4.015 0.000 8.429) 9.336 17.664 ( 3.486 0.000 -8.147) 8.862 18.445 ( -2.969 0.000 -6.450) 7.101 18.761 ( 2.853 0.000 -10.133) 10.527 19.275 ( -0.217 0.000 13.467) 13.468 19.646 ( -1.650 0.000 4.216) 4.528 19.927 ( -0.354 0.000 -3.408) 3.427 20.115 ( -4.016 0.000 -5.023) 6.431 20.165 ( -0.954 0.000 2.445) 2.624 20.336 ( 5.326 0.000 -3.323) 6.278 ======================= Grid point 39 (17/48) ======================= q-point: (-0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.550 ( -6.915 0.000 16.088) 17.511 0.581 ( -10.632 0.000 -0.153) 10.633 0.793 ( -11.432 0.000 0.128) 11.433 0.856 ( 1.685 0.000 4.674) 4.968 0.987 ( 3.639 0.000 -0.668) 3.700 1.033 ( -13.196 0.000 5.300) 14.221 1.059 ( 0.568 0.000 -2.593) 2.654 1.120 ( -0.007 0.000 4.269) 4.269 1.189 ( -2.452 0.000 -0.096) 2.454 1.200 ( -0.364 0.000 1.656) 1.695 1.278 ( -1.343 0.000 -2.824) 3.127 1.334 ( -1.154 0.000 -1.922) 2.242 1.412 ( -4.260 0.000 -0.187) 4.264 1.518 ( 1.846 0.000 0.568) 1.932 1.539 ( 1.755 0.000 -3.402) 3.828 1.577 ( 0.157 0.000 -2.187) 2.193 1.617 ( 1.486 0.000 1.043) 1.815 1.709 ( 0.086 0.000 -2.958) 2.960 1.718 ( 0.930 0.000 -4.255) 4.355 1.813 ( 1.347 0.000 -1.698) 2.168 1.819 ( 2.506 0.000 1.695) 3.025 1.862 ( -1.572 0.000 -2.103) 2.626 1.863 ( -0.051 0.000 -1.156) 1.157 1.903 ( -0.391 0.000 3.220) 3.244 1.928 ( 0.049 0.000 0.153) 0.161 1.997 ( -1.225 0.000 -1.143) 1.675 2.055 ( -1.110 0.000 0.528) 1.230 2.103 ( -1.317 0.000 -6.000) 6.143 2.155 ( 1.226 0.000 1.086) 1.638 2.225 ( -0.450 0.000 -0.672) 0.809 2.257 ( 1.515 0.000 -0.453) 1.581 2.310 ( 5.487 0.000 3.663) 6.597 2.384 ( -3.295 0.000 -0.452) 3.326 2.495 ( 5.380 0.000 -3.164) 6.242 2.500 ( -3.564 0.000 -0.799) 3.653 2.513 ( 1.384 0.000 0.041) 1.384 2.608 ( 0.644 0.000 0.032) 0.645 2.608 ( 0.632 0.000 1.548) 1.672 2.697 ( 0.509 0.000 0.374) 0.632 2.766 ( 1.415 0.000 -2.812) 3.148 2.779 ( -0.729 0.000 0.736) 1.036 2.846 ( -0.001 0.000 3.178) 3.178 2.891 ( 1.869 0.000 1.867) 2.641 2.903 ( -0.219 0.000 -1.083) 1.105 3.013 ( 1.634 0.000 -2.055) 2.625 3.083 ( 1.163 0.000 4.242) 4.398 3.179 ( -1.451 0.000 -2.502) 2.892 3.183 ( 2.161 0.000 6.570) 6.916 3.200 ( 0.069 0.000 -0.373) 0.379 3.286 ( -1.197 0.000 -5.668) 5.794 3.467 ( 0.367 0.000 -1.217) 1.271 3.477 ( 1.634 0.000 -9.297) 9.440 4.156 ( 3.435 0.000 -0.804) 3.528 4.157 ( 2.055 0.000 1.315) 2.440 4.290 ( -3.317 0.000 -0.686) 3.387 4.326 ( 3.227 0.000 2.727) 4.224 4.703 ( 0.310 0.000 10.813) 10.818 4.994 ( -2.445 0.000 0.125) 2.448 5.159 ( -2.670 0.000 6.689) 7.203 5.164 ( -1.250 0.000 0.284) 1.282 5.255 ( -1.627 0.000 9.076) 9.220 5.463 ( 0.421 0.000 -0.990) 1.076 5.556 ( -1.775 0.000 -3.136) 3.603 5.654 ( 0.264 0.000 5.152) 5.158 5.689 ( -0.731 0.000 4.409) 4.469 5.736 ( 0.405 0.000 -2.779) 2.808 5.869 ( -1.396 0.000 -1.233) 1.862 6.019 ( -1.599 0.000 -1.981) 2.546 6.070 ( 0.543 0.000 -0.421) 0.688 6.132 ( 1.605 0.000 -4.976) 5.229 6.253 ( 1.710 0.000 2.422) 2.965 6.256 ( 1.315 0.000 -4.297) 4.494 6.350 ( 0.063 0.000 3.127) 3.127 6.403 ( 0.104 0.000 0.335) 0.351 6.492 ( -0.893 0.000 -0.328) 0.951 6.613 ( 0.336 0.000 -3.868) 3.882 6.730 ( 0.397 0.000 0.242) 0.465 6.741 ( -0.138 0.000 -2.024) 2.029 7.004 ( 0.625 0.000 4.541) 4.583 7.235 ( 2.415 0.000 -0.332) 2.438 7.881 ( -1.768 0.000 5.680) 5.949 7.929 ( 0.686 0.000 6.186) 6.224 8.319 ( 0.338 0.000 -4.139) 4.153 8.455 ( 3.341 0.000 -4.909) 5.938 11.840 ( -0.141 0.000 -2.209) 2.214 11.840 ( 3.655 0.000 0.932) 3.772 12.412 ( -3.794 0.000 9.353) 10.093 12.677 ( 0.614 0.000 2.172) 2.257 13.033 ( 1.565 0.000 0.609) 1.679 13.254 ( 2.180 0.000 -6.730) 7.074 14.052 ( -0.894 0.000 3.131) 3.256 14.121 ( 1.020 0.000 3.669) 3.808 14.362 ( -3.826 0.000 -0.951) 3.942 14.411 ( 0.111 0.000 -3.739) 3.741 14.716 ( -0.938 0.000 0.803) 1.235 14.790 ( 1.970 0.000 3.285) 3.830 15.928 ( -10.111 0.000 1.827) 10.275 16.589 ( 3.857 0.000 -7.693) 8.606 17.310 ( -2.292 0.000 -3.283) 4.004 17.725 ( 5.557 0.000 -6.104) 8.255 18.354 ( -1.715 0.000 -6.253) 6.484 18.805 ( 5.941 0.000 -8.851) 10.661 19.334 ( -1.273 0.000 13.415) 13.476 19.621 ( -2.858 0.000 4.966) 5.730 19.865 ( -4.272 0.000 -2.518) 4.959 20.008 ( -2.227 0.000 -7.398) 7.726 20.171 ( 0.501 0.000 1.264) 1.359 20.412 ( 3.275 0.000 -2.305) 4.005 ======================= Grid point 40 (18/48) ======================= q-point: (-0.17 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -18.351 0.000 0.678) 18.364 0.402 ( -8.466 0.000 12.676) 15.243 0.602 ( -7.088 0.000 12.957) 14.769 0.720 ( -17.045 0.000 8.658) 19.118 0.966 ( 4.121 0.000 8.348) 9.310 1.016 ( 0.885 0.000 -5.002) 5.079 1.097 ( 3.284 0.000 -2.598) 4.187 1.126 ( -1.903 0.000 -2.975) 3.531 1.137 ( 0.018 0.000 4.118) 4.118 1.196 ( -4.532 0.000 -1.109) 4.666 1.227 ( -1.929 0.000 -4.183) 4.607 1.263 ( -0.455 0.000 0.043) 0.457 1.374 ( 0.994 0.000 2.953) 3.116 1.554 ( 1.333 0.000 -3.164) 3.434 1.566 ( 0.982 0.000 1.319) 1.644 1.590 ( 2.330 0.000 -0.149) 2.335 1.648 ( -0.120 0.000 1.254) 1.260 1.668 ( -1.737 0.000 -4.117) 4.468 1.711 ( 0.774 0.000 -5.757) 5.809 1.829 ( 1.651 0.000 0.363) 1.690 1.831 ( -1.246 0.000 2.061) 2.409 1.863 ( 0.268 0.000 -3.586) 3.596 1.875 ( 1.949 0.000 0.783) 2.100 1.918 ( -1.726 0.000 -0.163) 1.733 1.937 ( 0.602 0.000 2.443) 2.516 1.980 ( -0.163 0.000 -0.527) 0.551 2.038 ( -0.336 0.000 1.426) 1.465 2.057 ( 0.977 0.000 -7.433) 7.497 2.122 ( -2.094 0.000 1.205) 2.416 2.261 ( 1.686 0.000 -1.091) 2.008 2.272 ( 0.097 0.000 -0.774) 0.780 2.335 ( 0.067 0.000 2.670) 2.671 2.394 ( -2.683 0.000 0.166) 2.688 2.436 ( 1.401 0.000 4.691) 4.896 2.540 ( 0.491 0.000 0.294) 0.573 2.570 ( 3.042 0.000 -2.013) 3.648 2.611 ( -0.299 0.000 -1.450) 1.481 2.624 ( -0.468 0.000 0.990) 1.095 2.701 ( 0.041 0.000 0.317) 0.320 2.762 ( -0.735 0.000 -4.245) 4.308 2.765 ( -0.812 0.000 -0.302) 0.866 2.824 ( -0.786 0.000 -1.735) 1.904 2.940 ( 1.348 0.000 1.373) 1.924 2.967 ( 5.375 0.000 3.074) 6.192 3.028 ( 1.045 0.000 -3.236) 3.400 3.108 ( 0.534 0.000 2.119) 2.186 3.146 ( -0.550 0.000 -5.862) 5.888 3.195 ( 0.152 0.000 -0.460) 0.485 3.228 ( -1.764 0.000 -1.315) 2.200 3.239 ( -0.586 0.000 5.526) 5.557 3.402 ( -4.450 0.000 -11.609) 12.433 3.477 ( 0.870 0.000 -0.440) 0.975 4.212 ( -2.130 0.000 2.484) 3.272 4.248 ( 4.040 0.000 3.139) 5.116 4.255 ( 5.722 0.000 -1.390) 5.889 4.424 ( 4.547 0.000 3.187) 5.553 4.759 ( -0.364 0.000 8.583) 8.591 4.909 ( -5.212 0.000 -2.060) 5.604 5.135 ( -2.552 0.000 6.027) 6.545 5.141 ( -0.676 0.000 1.200) 1.378 5.309 ( 2.227 0.000 9.883) 10.131 5.473 ( 1.012 0.000 0.082) 1.015 5.527 ( 0.079 0.000 -1.662) 1.664 5.677 ( -1.230 0.000 4.575) 4.738 5.705 ( 0.068 0.000 5.873) 5.873 5.722 ( -0.122 0.000 -2.557) 2.560 5.833 ( -1.436 0.000 -0.062) 1.437 5.995 ( 0.321 0.000 -3.168) 3.184 6.075 ( 0.184 0.000 -0.568) 0.597 6.138 ( 1.538 0.000 -4.849) 5.087 6.258 ( 1.094 0.000 -4.416) 4.550 6.283 ( 0.068 0.000 1.883) 1.885 6.376 ( 0.756 0.000 2.660) 2.766 6.405 ( -0.080 0.000 0.444) 0.451 6.476 ( -0.184 0.000 -0.110) 0.214 6.605 ( 0.696 0.000 -3.371) 3.442 6.735 ( 0.749 0.000 -2.710) 2.812 6.737 ( 0.178 0.000 -0.062) 0.188 7.035 ( -0.280 0.000 5.428) 5.435 7.315 ( 4.947 0.000 1.237) 5.099 7.880 ( -1.258 0.000 5.449) 5.592 7.982 ( 1.091 0.000 6.331) 6.425 8.313 ( 0.885 0.000 -3.230) 3.349 8.496 ( 3.010 0.000 -5.541) 6.306 11.845 ( 1.533 0.000 -1.749) 2.326 12.042 ( 15.637 0.000 9.754) 18.429 12.425 ( 2.369 0.000 14.977) 15.163 12.692 ( -0.370 0.000 2.179) 2.210 13.073 ( 1.759 0.000 0.438) 1.813 13.272 ( 2.904 0.000 -5.869) 6.548 14.052 ( -0.334 0.000 2.920) 2.939 14.140 ( -0.915 0.000 2.789) 2.935 14.288 ( -2.955 0.000 1.117) 3.159 14.424 ( 2.992 0.000 -3.495) 4.601 14.713 ( 0.228 0.000 1.240) 1.260 14.860 ( 4.899 0.000 3.670) 6.121 15.673 ( -13.218 0.000 -0.869) 13.247 16.578 ( -11.637 0.000 -28.062) 30.379 16.984 ( -16.827 0.000 -6.310) 17.971 17.805 ( 4.374 0.000 -3.698) 5.728 18.378 ( 5.445 0.000 4.591) 7.122 18.878 ( 4.848 0.000 -8.935) 10.165 19.348 ( -3.709 0.000 10.457) 11.096 19.601 ( -1.621 0.000 6.225) 6.432 19.757 ( -4.140 0.000 -2.798) 4.997 19.966 ( 1.242 0.000 -5.690) 5.824 20.190 ( 0.751 0.000 0.477) 0.889 20.418 ( -2.125 0.000 -4.554) 5.026 ======================= Grid point 41 (19/48) ======================= q-point: ( 0.00 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.187 ( -6.014 5.046 1.882) 8.074 0.409 ( 6.146 9.186 3.681) 11.649 0.651 ( -7.273 6.973 10.379) 14.465 0.675 ( -1.681 3.616 2.473) 4.693 0.901 ( -5.661 -4.387 -3.467) 7.957 0.963 ( 3.173 -5.762 -6.083) 8.960 1.009 ( 0.192 -0.733 4.893) 4.952 1.077 ( 1.597 -5.225 -0.544) 5.490 1.127 ( -1.034 0.021 3.506) 3.656 1.209 ( -0.991 4.925 -0.140) 5.026 1.247 ( -1.527 1.691 -0.092) 2.280 1.309 ( 0.799 -2.042 2.111) 3.044 1.427 ( 0.491 -1.151 -2.696) 2.972 1.484 ( -2.822 -5.222 2.098) 6.296 1.556 ( 3.132 -0.541 0.954) 3.318 1.617 ( 0.774 -1.572 0.246) 1.769 1.655 ( 0.411 2.160 -1.907) 2.911 1.690 ( 2.960 2.197 -0.920) 3.800 1.729 ( 0.813 1.893 -3.447) 4.016 1.775 ( -0.762 -2.693 -3.666) 4.612 1.861 ( 0.306 1.174 1.711) 2.097 1.878 ( -0.389 -0.480 -2.415) 2.493 1.901 ( -0.770 2.586 0.760) 2.803 1.925 ( 0.987 0.356 -1.982) 2.242 1.950 ( -0.069 2.871 1.825) 3.402 2.025 ( 1.381 0.235 -1.961) 2.410 2.033 ( -1.108 1.413 -2.318) 2.932 2.077 ( 1.406 0.219 1.150) 1.829 2.130 ( 0.715 -1.504 -0.136) 1.671 2.224 ( 1.677 -0.784 -1.020) 2.113 2.242 ( -1.108 -0.692 -1.300) 1.843 2.352 ( 0.840 -5.088 1.869) 5.486 2.421 ( -1.613 1.170 0.204) 2.003 2.451 ( 2.272 -0.949 -0.132) 2.466 2.498 ( 0.323 -1.446 3.358) 3.670 2.565 ( 1.407 -1.811 1.615) 2.805 2.606 ( 0.468 -0.109 -1.178) 1.273 2.651 ( -0.903 0.698 -1.221) 1.671 2.669 ( -0.309 -0.033 -1.487) 1.519 2.721 ( -1.000 -0.305 -1.244) 1.624 2.740 ( -0.466 1.147 -2.090) 2.430 2.869 ( 1.898 1.611 -1.660) 2.992 2.893 ( -1.838 -0.960 -0.632) 2.168 2.976 ( -0.373 -1.422 -2.252) 2.689 3.047 ( -0.324 -0.723 -1.587) 1.773 3.102 ( 1.875 -2.017 2.002) 3.405 3.153 ( -0.716 -1.699 -1.983) 2.707 3.191 ( -0.045 -0.720 1.597) 1.753 3.237 ( 0.376 0.746 2.250) 2.400 3.272 ( 3.120 1.379 -1.032) 3.564 3.303 ( -0.601 3.944 5.207) 6.560 3.486 ( -1.913 -1.558 2.545) 3.545 4.191 ( -1.842 1.472 2.501) 3.438 4.315 ( 2.421 -4.232 4.471) 6.615 4.355 ( 1.940 2.215 -0.662) 3.018 4.468 ( 0.696 -1.782 1.294) 2.310 4.713 ( -4.847 0.237 4.026) 6.305 4.799 ( 0.140 -1.946 -1.973) 2.775 5.123 ( -1.599 0.400 5.998) 6.220 5.185 ( 1.248 -0.287 4.417) 4.599 5.329 ( -1.260 -0.288 7.797) 7.904 5.497 ( -0.183 -0.662 0.778) 1.037 5.544 ( 0.404 0.267 -0.823) 0.955 5.605 ( -0.795 -4.388 0.813) 4.533 5.629 ( -2.369 -1.395 4.720) 5.462 5.665 ( -0.313 -2.302 1.408) 2.716 5.867 ( 0.170 3.606 0.670) 3.672 6.007 ( 1.051 0.341 -3.526) 3.695 6.130 ( 0.836 -1.025 -1.000) 1.658 6.163 ( -0.578 4.251 -3.795) 5.728 6.253 ( 1.075 -1.309 -0.840) 1.891 6.294 ( -0.335 0.713 -2.514) 2.635 6.427 ( 0.381 2.387 -0.131) 2.421 6.435 ( -0.722 2.935 -0.907) 3.156 6.500 ( 1.263 0.049 -0.210) 1.281 6.592 ( 1.035 -1.605 -3.666) 4.133 6.728 ( 0.510 0.242 -0.072) 0.569 6.760 ( -0.007 0.453 -0.487) 0.665 7.052 ( -1.366 1.052 4.226) 4.564 7.238 ( -1.851 -5.936 1.343) 6.361 7.896 ( -1.150 0.999 5.569) 5.773 7.977 ( -1.516 -2.261 6.212) 6.782 8.496 ( 0.501 6.445 -11.390) 13.097 8.546 ( 0.499 2.746 -7.538) 8.038 11.946 ( -0.699 4.818 -1.493) 5.092 12.160 ( -1.493 -4.661 -4.074) 6.368 12.584 ( -0.091 -0.799 -2.518) 2.643 12.797 ( 0.973 -3.432 -3.497) 4.995 13.139 ( 0.539 2.716 0.179) 2.775 13.299 ( 4.064 -4.267 -4.111) 7.185 14.115 ( 1.761 2.319 4.301) 5.194 14.151 ( 0.025 1.631 0.985) 1.905 14.227 ( -3.406 -0.144 0.065) 3.409 14.426 ( -1.336 -5.732 2.086) 6.244 14.794 ( 2.143 7.640 -2.835) 8.426 15.185 ( 14.271 2.615 1.650) 14.602 15.333 ( -17.546 -11.609 -0.824) 21.055 15.481 ( 0.077 -7.976 -7.450) 10.914 17.188 ( 4.537 8.311 14.840) 17.604 17.736 ( 3.399 -11.856 1.949) 12.487 18.620 ( 1.108 9.760 2.086) 10.042 18.956 ( 3.951 0.287 -7.278) 8.286 19.288 ( -3.261 0.489 5.024) 6.010 19.535 ( 4.302 -6.900 -2.775) 8.592 19.912 ( -3.018 11.280 -3.400) 12.162 20.051 ( 2.987 4.530 -3.410) 6.409 20.180 ( 0.386 -2.303 0.771) 2.459 20.266 ( -4.124 -2.839 -1.281) 5.168 ======================= Grid point 42 (20/48) ======================= q-point: ( 0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.362 ( 12.114 -6.784 8.281) 16.167 0.534 ( 3.072 9.098 8.873) 13.075 0.586 ( -0.914 -4.644 -2.482) 5.345 0.715 ( 2.712 1.453 5.659) 6.441 0.860 ( 5.391 1.869 -3.417) 6.651 0.951 ( -1.461 -4.020 -1.333) 4.480 1.059 ( 1.416 -0.900 2.951) 3.394 1.125 ( 0.010 2.007 0.451) 2.057 1.147 ( 1.982 -7.985 3.141) 8.806 1.181 ( -1.099 1.715 -0.890) 2.223 1.254 ( 3.354 1.943 1.298) 4.087 1.348 ( 0.263 -2.701 3.776) 4.650 1.423 ( 0.392 -2.784 -1.812) 3.345 1.460 ( 1.445 -3.753 -1.366) 4.247 1.608 ( 1.470 0.938 -1.404) 2.239 1.632 ( 0.474 1.109 -1.673) 2.063 1.680 ( 1.143 2.914 0.694) 3.206 1.696 ( 0.668 1.813 -1.801) 2.641 1.737 ( -1.216 -0.181 -1.950) 2.305 1.751 ( 1.986 1.801 -3.553) 4.451 1.835 ( -1.815 -0.073 -0.278) 1.837 1.891 ( 0.289 0.479 0.184) 0.589 1.893 ( -0.153 1.883 0.287) 1.911 1.930 ( 1.257 1.816 -0.949) 2.404 1.962 ( 0.525 1.375 -1.206) 1.903 1.993 ( -1.777 1.080 0.960) 2.290 2.045 ( 0.723 -1.796 -3.015) 3.583 2.099 ( 0.131 0.123 1.373) 1.385 2.159 ( 1.764 -1.847 1.390) 2.908 2.207 ( -1.128 1.561 -3.044) 3.602 2.240 ( 0.427 -0.263 -1.223) 1.322 2.349 ( -0.923 -3.580 1.399) 3.952 2.373 ( -2.365 0.617 1.312) 2.774 2.458 ( -3.534 -1.426 2.152) 4.376 2.527 ( 3.573 -3.044 -1.938) 5.078 2.578 ( -1.486 -2.136 -1.949) 3.251 2.624 ( 0.466 0.122 -3.248) 3.283 2.627 ( -0.853 0.374 -0.508) 1.061 2.691 ( 2.054 1.780 2.118) 3.446 2.708 ( 1.761 0.974 1.760) 2.674 2.742 ( 1.288 -0.512 -1.788) 2.263 2.836 ( -2.811 -2.864 -0.074) 4.013 2.905 ( 1.352 1.578 0.053) 2.079 2.938 ( -1.658 0.103 -3.113) 3.528 3.012 ( -1.666 1.523 -2.805) 3.601 3.067 ( -4.419 1.207 0.550) 4.614 3.132 ( -1.030 -3.608 -1.672) 4.108 3.178 ( -3.070 3.653 1.337) 4.956 3.209 ( 0.979 -0.714 1.012) 1.578 3.315 ( 1.036 -0.670 -0.721) 1.429 3.402 ( 2.799 -2.269 -0.578) 3.649 3.488 ( 0.852 -2.004 5.052) 5.501 4.158 ( -2.221 1.147 1.369) 2.850 4.284 ( -6.044 -3.459 1.684) 7.165 4.353 ( -1.266 2.913 -0.757) 3.265 4.468 ( -1.407 -1.349 1.925) 2.740 4.646 ( -2.365 4.235 3.339) 5.889 4.861 ( 4.588 -2.517 -0.412) 5.249 5.128 ( -0.744 0.614 5.275) 5.363 5.224 ( 0.010 -0.285 3.878) 3.889 5.328 ( -3.101 -0.859 8.684) 9.261 5.475 ( -2.116 -1.510 1.307) 2.909 5.562 ( 1.209 -2.067 -2.038) 3.144 5.572 ( -0.786 -2.953 0.631) 3.120 5.635 ( -0.148 0.499 4.509) 4.539 5.679 ( 0.934 -2.154 0.719) 2.456 5.886 ( 1.084 3.388 1.360) 3.808 6.015 ( 1.509 0.792 -2.764) 3.247 6.128 ( -0.456 2.893 -4.203) 5.123 6.138 ( 0.224 -2.112 0.047) 2.124 6.258 ( 0.199 1.686 -1.594) 2.328 6.274 ( -0.110 0.895 -2.997) 3.130 6.405 ( -1.539 2.940 0.192) 3.324 6.437 ( 0.346 2.768 0.207) 2.797 6.515 ( 0.256 -0.560 -0.072) 0.620 6.595 ( 1.416 -1.945 -4.303) 4.930 6.732 ( -0.078 0.716 -0.189) 0.745 6.759 ( 0.318 -0.313 -0.221) 0.498 7.032 ( -2.734 1.349 4.113) 5.120 7.199 ( -1.851 -4.002 0.339) 4.422 7.898 ( -1.530 0.772 5.618) 5.874 7.960 ( -3.142 -1.547 6.264) 7.177 8.413 ( -2.002 5.001 -6.725) 8.616 8.495 ( -1.553 0.632 -6.409) 6.625 11.919 ( -1.524 2.130 0.459) 2.659 12.048 ( -5.911 -3.458 -3.643) 7.757 12.521 ( -3.969 -0.460 0.410) 4.016 12.734 ( -3.528 -1.480 -0.378) 3.845 13.104 ( -3.174 2.488 1.425) 4.277 13.285 ( -1.904 -4.634 -4.550) 6.768 14.102 ( -3.369 3.768 4.713) 6.911 14.152 ( -0.716 3.358 0.717) 3.507 14.246 ( 4.720 -0.901 -1.604) 5.066 14.413 ( 0.087 -5.252 1.601) 5.491 14.792 ( -0.609 5.306 -0.338) 5.352 14.936 ( -9.762 1.608 5.552) 11.344 15.573 ( 13.800 -3.194 -0.346) 14.169 15.876 ( 29.103 -19.127 -20.687) 40.507 17.263 ( -4.585 6.876 13.381) 15.728 17.755 ( -0.552 -8.005 -3.852) 8.901 18.604 ( -3.255 7.040 1.209) 7.850 18.944 ( -1.070 -0.181 -7.008) 7.092 19.274 ( -0.519 5.373 3.098) 6.223 19.619 ( 2.534 -5.300 -0.506) 5.896 19.839 ( 0.285 6.502 0.051) 6.508 20.127 ( 1.943 1.038 1.189) 2.503 20.149 ( 0.291 -2.335 -3.119) 3.907 20.255 ( 1.971 -0.998 -2.286) 3.179 ======================= Grid point 43 (21/48) ======================= q-point: ( 0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.536 ( 2.870 -1.013 0.949) 3.188 0.638 ( 3.363 -3.176 4.253) 6.283 0.711 ( 10.994 -3.416 8.508) 14.315 0.827 ( 4.095 -0.918 8.467) 9.450 0.898 ( -3.634 -5.173 0.044) 6.322 1.000 ( 7.120 4.170 -1.834) 8.453 1.086 ( -1.858 2.878 -1.844) 3.891 1.110 ( 2.046 -0.575 2.175) 3.041 1.160 ( -1.896 -3.413 1.587) 4.214 1.198 ( 0.732 -2.552 2.584) 3.705 1.336 ( 2.898 -1.412 0.426) 3.252 1.362 ( 0.635 1.190 2.104) 2.499 1.440 ( 1.615 -2.142 -1.562) 3.104 1.499 ( 2.056 -2.263 -2.575) 3.998 1.614 ( 0.115 2.118 -1.305) 2.490 1.620 ( -0.054 2.538 -2.883) 3.841 1.647 ( -1.723 0.737 -3.607) 4.065 1.691 ( -0.518 2.517 0.114) 2.572 1.764 ( 1.805 1.362 -3.868) 4.480 1.766 ( 0.653 0.418 -0.942) 1.220 1.795 ( -1.434 1.445 2.129) 2.945 1.870 ( -1.458 0.847 -1.147) 2.039 1.898 ( 0.116 -0.092 0.020) 0.149 1.922 ( -1.464 1.567 -0.994) 2.363 1.957 ( -0.151 -0.024 -0.310) 0.346 2.015 ( 2.061 -3.435 0.506) 4.038 2.044 ( 2.059 0.175 -2.184) 3.006 2.101 ( -0.499 -0.143 -0.762) 0.922 2.138 ( -1.741 3.255 1.056) 3.840 2.204 ( -0.945 -0.000 -2.230) 2.422 2.250 ( 1.865 -0.814 1.161) 2.343 2.322 ( -3.750 -2.479 1.586) 4.767 2.368 ( 1.647 -1.480 -1.362) 2.599 2.428 ( 0.306 -2.493 2.100) 3.274 2.487 ( -5.211 0.024 -0.564) 5.241 2.556 ( 0.524 -1.293 -4.431) 4.645 2.588 ( -1.953 0.890 -0.111) 2.149 2.624 ( 1.391 0.807 -3.694) 4.029 2.717 ( 0.261 2.400 1.409) 2.795 2.764 ( -0.049 -3.227 0.756) 3.315 2.784 ( -1.489 -2.625 -0.837) 3.132 2.797 ( 3.585 -0.087 3.003) 4.678 2.902 ( -1.815 1.905 -0.747) 2.735 2.914 ( 1.289 0.311 -0.822) 1.560 2.968 ( -2.158 5.960 -2.055) 6.664 3.013 ( 0.897 -1.913 0.634) 2.205 3.077 ( -2.781 0.809 0.394) 2.923 3.170 ( 0.244 0.282 2.755) 2.780 3.246 ( 1.940 0.084 1.254) 2.311 3.291 ( -1.840 -4.162 -4.280) 6.248 3.412 ( -0.304 -1.411 -0.587) 1.558 3.536 ( 0.495 -2.274 5.186) 5.684 4.126 ( -0.954 0.353 -0.172) 1.032 4.177 ( -4.192 -1.446 0.671) 4.485 4.313 ( -1.618 3.108 -1.775) 3.928 4.420 ( -3.122 -0.360 0.825) 3.249 4.660 ( 0.684 5.470 5.163) 7.553 4.936 ( 2.684 -2.858 0.045) 3.921 5.145 ( -0.301 0.777 5.021) 5.090 5.223 ( -1.604 0.584 3.151) 3.584 5.299 ( -3.949 -0.340 9.049) 9.879 5.441 ( -1.522 -3.637 1.174) 4.114 5.551 ( 0.090 -2.305 -1.310) 2.652 5.605 ( 2.134 -1.952 -1.032) 3.070 5.655 ( -0.249 0.401 4.092) 4.119 5.695 ( 0.119 -1.575 0.713) 1.733 5.915 ( 0.865 3.035 0.862) 3.272 6.035 ( 1.208 -0.058 -2.191) 2.503 6.107 ( 0.665 1.177 -3.401) 3.660 6.144 ( 0.141 -2.503 0.627) 2.584 6.243 ( -0.485 3.525 -2.289) 4.231 6.270 ( 1.280 2.170 -2.817) 3.779 6.379 ( -1.291 2.654 1.148) 3.167 6.442 ( 0.204 3.611 -0.442) 3.644 6.513 ( -0.385 -0.994 0.057) 1.067 6.604 ( 1.561 -2.102 -4.431) 5.147 6.730 ( 0.162 1.047 -0.404) 1.134 6.766 ( 0.125 -0.657 -0.069) 0.672 6.993 ( -2.627 1.662 3.675) 4.813 7.171 ( -0.853 -3.788 -0.478) 3.912 7.894 ( -1.661 0.528 5.525) 5.793 7.926 ( -3.177 -0.504 6.341) 7.110 8.366 ( -0.000 1.958 -4.429) 4.843 8.434 ( -0.902 -0.682 -5.544) 5.658 11.874 ( -2.797 0.233 -2.236) 3.588 11.952 ( -2.101 0.179 1.857) 2.809 12.458 ( -2.577 0.576 1.262) 2.926 12.679 ( -1.911 -0.863 0.411) 2.136 13.045 ( -3.060 1.214 1.473) 3.607 13.219 ( -1.793 -5.430 -4.480) 7.264 14.076 ( -1.367 3.145 3.112) 4.630 14.132 ( -1.531 3.430 1.578) 4.074 14.345 ( 5.061 -1.305 -1.433) 5.420 14.440 ( 1.305 -2.643 0.479) 2.986 14.773 ( -1.365 3.358 -0.112) 3.627 14.823 ( -4.393 1.860 3.243) 5.769 15.837 ( 10.289 -2.211 1.215) 10.593 16.270 ( 19.389 -17.794 -12.704) 29.223 17.186 ( -7.448 7.789 8.971) 14.022 17.706 ( -0.401 -5.489 -8.891) 10.456 18.529 ( -3.764 6.114 0.151) 7.182 18.879 ( -1.083 0.007 -7.060) 7.143 19.291 ( 0.314 7.612 4.547) 8.873 19.631 ( -0.686 -2.347 2.619) 3.583 19.896 ( 3.304 -0.014 -1.476) 3.619 20.075 ( -2.788 -5.660 -0.697) 6.347 20.232 ( 3.638 2.027 0.008) 4.164 20.276 ( 1.879 0.923 -3.193) 3.818 ======================= Grid point 44 (22/48) ======================= q-point: (-0.50 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.614 ( 1.719 3.981 8.907) 9.907 0.708 ( 1.666 -3.551 2.806) 4.823 0.768 ( -9.255 -3.595 2.176) 10.164 0.909 ( -0.293 -2.130 8.855) 9.112 0.946 ( 4.834 0.485 2.190) 5.329 1.042 ( -0.977 -1.386 1.092) 2.017 1.081 ( -0.703 2.163 -0.194) 2.283 1.128 ( 0.993 -3.941 2.062) 4.557 1.172 ( 1.876 1.768 2.000) 3.263 1.231 ( 1.960 -1.657 3.180) 4.086 1.341 ( -2.604 3.667 -0.729) 4.556 1.396 ( 0.535 1.019 -0.028) 1.151 1.431 ( -1.455 0.796 -1.668) 2.352 1.495 ( 0.480 -1.750 -4.039) 4.428 1.579 ( -2.359 1.591 -2.796) 3.989 1.625 ( 0.601 3.542 -1.121) 3.763 1.643 ( 3.097 -4.666 -1.134) 5.713 1.676 ( -3.080 -0.132 -4.188) 5.200 1.714 ( -0.338 2.451 0.222) 2.484 1.765 ( 1.060 2.355 -3.645) 4.467 1.821 ( 1.034 0.026 -2.317) 2.537 1.841 ( -0.328 -1.717 0.834) 1.937 1.893 ( -0.154 -0.582 -1.812) 1.910 1.909 ( -0.075 0.395 0.897) 0.983 1.954 ( -0.406 0.378 0.685) 0.881 2.034 ( -1.370 -1.188 0.338) 1.844 2.048 ( 1.776 -1.777 -3.292) 4.142 2.096 ( -1.555 -1.313 0.540) 2.106 2.144 ( -0.758 0.797 -0.391) 1.167 2.194 ( 3.208 2.432 -0.265) 4.034 2.246 ( -1.814 -0.464 0.206) 1.883 2.271 ( -1.069 -1.920 0.066) 2.199 2.399 ( 1.302 -0.548 -0.087) 1.416 2.419 ( 0.880 0.705 -1.036) 1.532 2.458 ( -0.050 -2.745 -0.086) 2.746 2.524 ( -1.386 -0.054 1.688) 2.184 2.594 ( 2.810 -0.516 -2.459) 3.770 2.635 ( 1.239 1.371 -2.879) 3.421 2.711 ( -1.909 2.041 1.143) 3.019 2.747 ( -0.074 -2.504 -0.611) 2.579 2.788 ( 0.918 -1.617 2.862) 3.413 2.826 ( -1.312 1.945 -1.563) 2.819 2.870 ( -0.409 -0.103 0.830) 0.931 2.913 ( 0.134 0.867 -2.756) 2.893 2.993 ( 3.831 -0.047 0.617) 3.880 3.019 ( -1.915 1.127 1.499) 2.681 3.088 ( 2.731 -2.482 2.591) 4.509 3.180 ( -1.638 -2.736 0.359) 3.209 3.228 ( -0.645 1.498 0.877) 1.852 3.292 ( 1.744 -0.591 -2.309) 2.954 3.396 ( -1.185 -0.282 0.689) 1.399 3.562 ( -0.083 -0.942 3.241) 3.376 4.120 ( 0.338 -0.461 -0.351) 0.671 4.127 ( -0.743 -0.675 -0.185) 1.021 4.286 ( 0.136 1.867 -1.487) 2.391 4.364 ( -2.379 0.256 -0.976) 2.584 4.704 ( 0.290 4.927 7.220) 8.746 4.967 ( 0.196 -3.944 0.345) 3.964 5.161 ( -0.854 0.505 4.792) 4.894 5.200 ( -2.251 0.442 2.823) 3.637 5.270 ( -2.954 0.711 8.044) 8.598 5.432 ( -0.066 -4.182 1.213) 4.355 5.552 ( 0.388 -1.108 -0.645) 1.339 5.634 ( 0.975 -1.443 -1.028) 2.022 5.662 ( -0.677 -0.266 2.767) 2.861 5.695 ( -0.728 -1.270 2.016) 2.491 5.922 ( -0.466 2.784 -0.204) 2.831 6.031 ( -0.225 -0.652 -2.083) 2.195 6.115 ( 1.206 0.026 -3.547) 3.746 6.152 ( 0.259 -1.799 1.607) 2.426 6.224 ( 0.086 4.111 -3.392) 5.330 6.289 ( 1.525 1.909 -1.880) 3.083 6.370 ( -0.126 2.919 1.372) 3.228 6.441 ( 0.004 3.907 -0.775) 3.983 6.504 ( -0.334 -0.770 -0.099) 0.845 6.609 ( 1.041 -1.728 -4.093) 4.564 6.736 ( 0.555 1.108 -0.254) 1.265 6.756 ( -0.952 -0.164 -0.376) 1.037 6.982 ( -0.157 1.290 3.568) 3.797 7.162 ( 0.388 -4.130 -0.680) 4.203 7.892 ( -1.434 0.359 5.639) 5.829 7.905 ( -1.813 0.051 6.086) 6.350 8.355 ( 1.117 1.461 -4.456) 4.821 8.416 ( 1.935 -0.842 -4.691) 5.144 11.830 ( 0.219 2.337 -0.858) 2.499 11.946 ( 0.075 2.741 1.196) 2.991 12.426 ( -1.303 1.059 1.338) 2.147 12.661 ( -0.115 -1.213 0.627) 1.370 13.008 ( -1.055 0.019 0.977) 1.438 13.179 ( 0.352 -6.088 -4.714) 7.707 14.073 ( -0.610 2.238 2.660) 3.530 14.117 ( -0.567 2.036 2.090) 2.972 14.405 ( 0.985 -0.461 -0.843) 1.376 14.450 ( -0.654 -0.323 -0.323) 0.798 14.729 ( -2.096 1.530 -0.106) 2.597 14.794 ( -0.212 1.719 0.842) 1.926 15.974 ( 1.741 -0.160 4.255) 4.601 16.533 ( 10.343 -13.109 -6.549) 17.936 17.096 ( -4.558 2.979 7.076) 8.929 17.648 ( -0.571 -8.028 -11.605) 14.122 18.480 ( -0.546 7.808 -0.513) 7.843 18.839 ( 1.021 0.566 -7.470) 7.561 19.331 ( 0.399 5.813 6.852) 8.994 19.624 ( -1.656 -2.647 2.363) 3.916 19.921 ( 0.189 -0.177 -2.487) 2.500 20.022 ( -1.342 -4.543 -2.521) 5.367 20.245 ( -1.269 3.761 0.602) 4.014 20.333 ( 3.852 -0.445 -1.915) 4.325 ======================= Grid point 45 (23/48) ======================= q-point: (-0.33 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.537 ( -12.950 -1.952 4.425) 13.824 0.662 ( -4.093 6.453 11.179) 13.541 0.713 ( -3.899 -4.657 0.728) 6.117 0.899 ( 0.345 3.488 4.480) 5.688 0.977 ( -4.236 -0.978 1.409) 4.570 1.043 ( 1.011 0.792 2.625) 2.922 1.064 ( -0.881 -1.878 3.360) 3.949 1.112 ( -6.270 -3.563 2.868) 7.762 1.179 ( -7.256 3.750 1.892) 8.384 1.215 ( -0.152 1.553 0.403) 1.611 1.320 ( 1.129 5.186 -1.104) 5.421 1.372 ( -1.161 -0.193 0.049) 1.178 1.405 ( -0.859 1.051 -0.491) 1.443 1.499 ( 1.256 -2.518 -3.837) 4.759 1.532 ( -0.733 -1.115 -0.238) 1.356 1.588 ( -0.293 1.357 -5.058) 5.245 1.636 ( -0.038 -0.214 -1.812) 1.825 1.684 ( 0.671 -0.251 -2.229) 2.341 1.732 ( 1.531 -0.609 0.027) 1.648 1.778 ( 2.355 -0.071 -4.232) 4.844 1.822 ( 0.098 -0.600 -1.966) 2.058 1.858 ( 1.659 -0.725 -0.348) 1.844 1.885 ( 0.394 0.035 -1.761) 1.805 1.907 ( 0.232 0.541 1.455) 1.570 1.948 ( -0.655 2.308 1.635) 2.904 1.995 ( -1.560 -0.480 -0.943) 1.885 2.055 ( 0.408 -1.470 -0.808) 1.727 2.100 ( -0.684 0.187 -2.675) 2.768 2.128 ( 1.178 -2.325 2.561) 3.654 2.188 ( -1.977 -0.007 -2.186) 2.948 2.263 ( 2.024 -0.314 -0.287) 2.068 2.295 ( 2.532 -1.592 2.047) 3.624 2.375 ( -4.400 -0.665 -1.345) 4.649 2.427 ( 1.316 -2.549 -0.406) 2.897 2.503 ( 5.156 0.580 -1.869) 5.515 2.530 ( -0.987 1.017 1.670) 2.190 2.632 ( 0.873 -0.075 -0.408) 0.967 2.647 ( 1.137 0.894 -1.526) 2.103 2.680 ( -0.465 0.496 0.925) 1.148 2.742 ( -0.542 -2.612 -1.266) 2.952 2.811 ( 0.841 2.163 -0.906) 2.492 2.837 ( 1.364 0.013 2.188) 2.579 2.870 ( 0.099 -0.093 -1.436) 1.443 2.910 ( 1.379 -0.738 -0.185) 1.575 3.004 ( 0.551 -1.475 -0.071) 1.577 3.047 ( 0.638 -2.665 -0.314) 2.758 3.129 ( -0.244 -3.290 -1.250) 3.528 3.145 ( 0.372 -2.734 2.815) 3.942 3.269 ( 1.474 5.344 3.123) 6.363 3.286 ( -0.693 0.788 -2.683) 2.881 3.372 ( -1.623 -0.392 0.715) 1.817 3.561 ( -1.262 -0.017 1.092) 1.669 4.141 ( 2.541 -0.837 -0.246) 2.686 4.146 ( 1.860 -0.795 0.768) 2.164 4.312 ( 1.401 -0.042 -0.088) 1.404 4.314 ( -0.292 0.859 -1.101) 1.427 4.746 ( -0.201 3.418 8.006) 8.707 4.947 ( -2.304 -4.070 0.097) 4.678 5.156 ( -2.165 -0.135 5.145) 5.584 5.161 ( -2.538 -0.385 2.648) 3.688 5.274 ( -0.729 2.153 7.263) 7.611 5.446 ( 0.880 -2.917 0.852) 3.164 5.555 ( 0.040 0.796 -0.419) 0.900 5.631 ( -1.036 -0.661 1.546) 1.974 5.663 ( -0.568 -2.136 1.495) 2.668 5.687 ( -1.218 -2.071 2.529) 3.489 5.898 ( -1.355 2.853 -0.638) 3.223 6.014 ( -0.184 -0.250 -2.135) 2.158 6.112 ( 0.491 -0.558 -2.771) 2.869 6.175 ( 1.334 0.502 0.382) 1.475 6.211 ( 0.422 1.884 -3.301) 3.824 6.306 ( 0.910 0.929 -1.474) 1.966 6.388 ( 1.151 3.157 0.913) 3.482 6.435 ( -0.174 3.619 -0.585) 3.670 6.498 ( -0.229 -0.066 -0.536) 0.587 6.603 ( 0.440 -1.282 -3.749) 3.987 6.732 ( -0.757 0.291 -0.594) 1.005 6.748 ( 0.651 0.635 -0.404) 0.995 7.013 ( 0.930 1.116 3.717) 3.991 7.185 ( 1.989 -4.272 0.118) 4.714 7.889 ( -1.564 0.667 5.659) 5.909 7.922 ( 0.080 -0.519 5.967) 5.991 8.377 ( 3.836 3.730 -4.828) 7.207 8.457 ( 4.211 -0.047 -4.767) 6.361 11.884 ( 4.234 3.921 2.744) 6.390 11.968 ( 2.861 6.531 -2.046) 7.418 12.421 ( 0.249 3.029 1.943) 3.607 12.678 ( 1.322 -1.126 0.774) 1.901 13.017 ( 1.534 -0.514 0.435) 1.676 13.187 ( 2.728 -5.472 -4.618) 7.663 14.070 ( -0.970 1.786 2.501) 3.223 14.135 ( 0.811 0.479 2.140) 2.338 14.375 ( -3.402 1.058 0.247) 3.571 14.419 ( -1.398 -0.028 -0.726) 1.575 14.702 ( -0.436 0.728 0.025) 0.849 14.810 ( 1.676 -0.041 -0.313) 1.705 15.933 ( -9.071 3.178 5.096) 10.879 16.581 ( -1.483 -11.043 -11.221) 15.813 17.068 ( -4.406 -4.592 7.788) 10.058 17.568 ( 0.023 -12.798 -9.795) 16.116 18.500 ( 2.458 11.383 -0.711) 11.667 18.847 ( 3.548 0.628 -7.539) 8.356 19.358 ( -1.619 1.776 6.768) 7.182 19.580 ( -3.156 -4.346 0.097) 5.371 19.898 ( -0.800 3.099 -0.142) 3.204 20.008 ( 1.545 -0.515 -3.887) 4.214 20.215 ( -1.687 3.815 0.229) 4.177 20.385 ( 1.727 -2.384 -1.166) 3.166 ======================= Grid point 46 (24/48) ======================= q-point: (-0.17 0.25 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.326 ( -9.196 -0.165 10.588) 14.025 0.509 ( -13.480 10.264 -2.600) 17.141 0.652 ( -0.942 0.150 3.898) 4.013 0.839 ( -11.390 5.249 5.647) 13.754 0.919 ( -2.196 -0.706 4.126) 4.727 0.986 ( 0.006 -2.622 0.463) 2.663 1.049 ( -3.530 -3.455 -0.749) 4.996 1.070 ( 0.559 -1.779 0.632) 1.969 1.121 ( -0.833 0.570 4.890) 4.993 1.224 ( 1.289 0.885 0.659) 1.697 1.273 ( -3.889 5.170 -2.548) 6.953 1.334 ( -2.818 1.142 1.499) 3.389 1.417 ( 1.850 2.364 -0.181) 3.007 1.483 ( -0.149 -3.926 -0.350) 3.945 1.548 ( -0.157 -2.214 -0.307) 2.241 1.595 ( 2.312 -1.171 -2.431) 3.553 1.631 ( 1.195 -1.256 -1.326) 2.183 1.675 ( -0.309 1.415 -2.070) 2.526 1.734 ( 0.152 1.068 -2.198) 2.449 1.798 ( 0.814 -2.783 -5.509) 6.226 1.830 ( 2.008 0.579 1.165) 2.393 1.876 ( 1.043 -0.128 -1.734) 2.027 1.897 ( 0.340 0.255 1.433) 1.494 1.934 ( -1.249 4.043 0.212) 4.236 1.950 ( 0.645 1.280 1.470) 2.053 1.992 ( 2.053 0.239 0.834) 2.229 2.056 ( -0.163 0.903 -1.921) 2.129 2.060 ( 0.040 1.171 -3.279) 3.482 2.134 ( -0.960 -1.840 -0.958) 2.286 2.191 ( 1.544 -2.851 1.492) 3.569 2.278 ( -2.563 -1.458 -1.535) 3.325 2.324 ( 2.307 -0.160 2.203) 3.194 2.345 ( 2.491 -2.912 1.426) 4.089 2.444 ( 0.040 1.964 -0.459) 2.017 2.499 ( -1.674 -2.817 1.832) 3.754 2.577 ( 1.810 1.143 -1.656) 2.706 2.607 ( -2.391 -1.112 0.812) 2.759 2.665 ( 0.763 1.155 -2.268) 2.657 2.701 ( 1.573 0.653 0.597) 1.805 2.709 ( -1.668 -3.832 -2.468) 4.853 2.795 ( -2.109 0.582 -3.601) 4.214 2.846 ( 1.264 4.552 -2.021) 5.139 2.891 ( 2.016 -0.597 0.466) 2.154 2.972 ( 2.044 -1.831 1.538) 3.145 3.031 ( 1.470 -5.896 -0.569) 6.103 3.044 ( 0.938 -0.656 1.084) 1.576 3.137 ( 1.747 -1.749 -1.029) 2.678 3.167 ( 0.087 -0.842 3.065) 3.179 3.234 ( -1.720 1.994 -3.494) 4.376 3.296 ( -1.121 2.170 1.290) 2.762 3.332 ( -2.868 1.907 2.560) 4.291 3.523 ( -2.731 -0.385 1.693) 3.236 4.194 ( 1.100 -0.613 2.229) 2.560 4.216 ( 3.873 -1.678 2.442) 4.877 4.302 ( 2.232 2.603 -1.414) 3.709 4.395 ( 4.217 -2.073 2.048) 5.126 4.763 ( -2.149 0.860 5.937) 6.372 4.873 ( -4.429 -2.938 -1.619) 5.555 5.131 ( -2.385 -0.064 6.169) 6.614 5.151 ( -0.422 0.028 3.914) 3.936 5.304 ( -0.360 1.770 7.431) 7.647 5.475 ( 1.514 -0.951 0.475) 1.850 5.549 ( -0.179 1.578 -0.871) 1.812 5.615 ( -1.539 -2.586 2.813) 4.119 5.653 ( -1.516 -3.150 2.866) 4.521 5.673 ( -1.195 -2.501 2.022) 3.431 5.872 ( -0.778 3.300 -0.171) 3.395 6.005 ( 0.665 -0.012 -2.974) 3.047 6.116 ( 1.039 -0.755 -1.730) 2.154 6.186 ( 0.190 5.447 -3.284) 6.363 6.224 ( 1.755 -3.118 -0.327) 3.593 6.308 ( 0.146 0.849 -1.796) 1.992 6.417 ( 0.888 1.951 0.420) 2.184 6.435 ( 0.796 3.862 -1.061) 4.084 6.489 ( -0.214 0.386 -0.595) 0.740 6.593 ( 0.567 -1.389 -3.455) 3.767 6.722 ( 0.094 0.216 -0.671) 0.711 6.758 ( 0.436 0.539 -0.387) 0.794 7.044 ( 0.018 1.110 3.917) 4.071 7.232 ( 1.638 -5.581 1.440) 5.992 7.890 ( -1.181 0.981 5.509) 5.719 7.958 ( 0.048 -1.637 6.147) 6.362 8.463 ( 6.916 6.318 -8.219) 12.462 8.522 ( 4.515 1.910 -5.809) 7.602 11.951 ( 1.271 5.367 -1.436) 5.699 12.098 ( 8.596 1.671 -0.237) 8.760 12.490 ( 6.692 6.291 1.656) 9.333 12.721 ( 2.960 0.497 0.766) 3.097 13.071 ( 3.515 0.815 0.727) 3.681 13.231 ( 3.557 -3.493 -3.836) 6.290 14.070 ( 0.008 1.903 2.739) 3.336 14.150 ( -0.375 0.454 1.609) 1.714 14.300 ( -4.012 0.841 1.518) 4.371 14.410 ( 1.027 -2.980 0.235) 3.161 14.725 ( 3.273 3.376 -0.422) 4.721 14.876 ( 6.092 0.265 0.735) 6.142 15.667 ( -16.305 0.796 0.534) 16.333 16.197 ( -33.498 -25.102 -18.498) 45.765 17.028 ( 1.346 9.009 8.940) 12.763 17.618 ( 5.835 -13.830 1.469) 15.082 18.560 ( 3.284 12.781 0.584) 13.209 18.897 ( 4.804 0.419 -7.149) 8.623 19.336 ( -3.632 -1.127 6.124) 7.209 19.520 ( -1.236 -6.227 -2.495) 6.821 19.912 ( 1.688 7.647 0.428) 7.843 20.031 ( 2.329 4.291 -4.304) 6.508 20.184 ( -1.278 0.504 0.043) 1.375 20.370 ( -2.935 -3.763 -2.103) 5.215 ======================= Grid point 47 (25/48) ======================= q-point: ( 0.00 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.454 ( -3.414 -11.701 -8.752) 15.005 0.454 ( -3.414 11.701 -8.752) 15.005 0.700 ( 5.670 -5.084 -1.013) 7.683 0.700 ( 5.670 5.084 -1.013) 7.683 0.849 ( -5.891 -1.403 2.023) 6.384 0.849 ( -5.891 1.403 2.023) 6.384 1.021 ( -2.293 -1.780 3.302) 4.397 1.021 ( -2.293 1.780 3.302) 4.397 1.194 ( -0.246 -5.378 3.222) 6.274 1.194 ( -0.246 5.378 3.222) 6.274 1.290 ( -2.324 -0.892 2.772) 3.725 1.290 ( -2.324 0.892 2.772) 3.725 1.400 ( -1.473 -0.732 -1.211) 2.043 1.400 ( -1.473 0.732 -1.211) 2.043 1.569 ( 3.780 -1.639 0.729) 4.184 1.569 ( 3.780 1.639 0.729) 4.184 1.701 ( 1.019 -2.171 -2.218) 3.267 1.701 ( 1.019 2.171 -2.218) 3.267 1.743 ( 1.110 -1.409 -2.517) 3.091 1.743 ( 1.110 1.409 -2.517) 3.091 1.893 ( 1.851 -2.386 -2.046) 3.647 1.893 ( 1.851 2.386 -2.046) 3.647 1.932 ( -1.886 -2.385 -0.309) 3.056 1.932 ( -1.886 2.385 -0.309) 3.056 1.990 ( 0.073 -2.088 -0.544) 2.159 1.990 ( 0.073 2.088 -0.544) 2.159 2.076 ( -0.121 -2.975 0.715) 3.062 2.076 ( -0.121 2.975 0.715) 3.062 2.147 ( 1.360 -4.702 2.830) 5.655 2.147 ( 1.360 4.702 2.830) 5.655 2.264 ( 1.103 -2.226 -2.477) 3.508 2.264 ( 1.103 2.226 -2.477) 3.508 2.416 ( 0.192 -0.584 0.631) 0.882 2.416 ( 0.192 0.584 0.631) 0.882 2.537 ( -1.265 -1.663 2.458) 3.226 2.537 ( -1.265 1.663 2.458) 3.226 2.619 ( 0.848 -1.321 -0.362) 1.611 2.619 ( 0.848 1.321 -0.362) 1.611 2.699 ( -0.181 -1.346 -1.382) 1.937 2.699 ( -0.181 1.346 -1.382) 1.937 2.809 ( -1.388 -4.292 -4.827) 6.607 2.809 ( -1.388 4.292 -4.827) 6.607 2.947 ( 1.407 -2.580 -1.609) 3.350 2.947 ( 1.407 2.580 -1.609) 3.350 3.041 ( 1.451 -2.950 -1.329) 3.546 3.041 ( 1.451 2.950 -1.329) 3.546 3.165 ( -0.055 -1.553 2.958) 3.341 3.165 ( -0.055 1.553 2.958) 3.341 3.266 ( 0.619 -1.275 0.450) 1.487 3.266 ( 0.619 1.275 0.450) 1.487 3.413 ( -2.972 -4.684 5.324) 7.689 3.413 ( -2.972 4.684 5.324) 7.689 4.240 ( -0.353 -2.799 3.375) 4.399 4.240 ( -0.353 2.799 3.375) 4.399 4.413 ( 2.195 -2.795 0.497) 3.588 4.413 ( 2.195 2.795 0.497) 3.588 4.747 ( -1.643 -2.372 0.201) 2.893 4.747 ( -1.643 2.372 0.201) 2.893 5.150 ( -0.531 -1.832 6.393) 6.671 5.150 ( -0.531 1.832 6.393) 6.671 5.413 ( -0.975 -5.903 2.844) 6.625 5.413 ( -0.975 5.903 2.844) 6.625 5.547 ( -0.872 -0.281 -0.900) 1.284 5.547 ( -0.872 0.281 -0.900) 1.284 5.634 ( -0.539 -0.813 3.884) 4.004 5.634 ( -0.539 0.813 3.884) 4.004 5.958 ( 0.820 -4.146 -1.168) 4.384 5.958 ( 0.820 4.146 -1.168) 4.384 6.155 ( -0.120 -3.121 -0.328) 3.140 6.155 ( -0.120 3.121 -0.328) 3.140 6.277 ( 0.527 -2.351 -2.954) 3.812 6.277 ( 0.527 2.351 -2.954) 3.812 6.471 ( 0.296 -1.407 -0.667) 1.584 6.471 ( 0.296 1.407 -0.667) 1.584 6.533 ( 0.810 -3.479 -2.911) 4.609 6.533 ( 0.810 3.479 -2.911) 4.609 6.748 ( -0.197 -1.256 0.995) 1.614 6.748 ( -0.197 1.256 0.995) 1.614 7.116 ( -0.805 -4.702 1.588) 5.028 7.116 ( -0.805 4.702 1.588) 5.028 7.929 ( -1.362 -1.937 5.862) 6.323 7.929 ( -1.362 1.937 5.862) 6.323 8.569 ( 0.526 -1.211 -8.903) 9.000 8.569 ( 0.526 1.211 -8.903) 9.000 12.049 ( -2.297 -4.815 -2.231) 5.782 12.049 ( -2.297 4.815 -2.231) 5.782 12.674 ( 0.375 -6.592 -7.044) 9.655 12.674 ( 0.375 6.592 -7.044) 9.655 13.209 ( 1.408 -3.730 -0.805) 4.068 13.209 ( 1.408 3.730 -0.805) 4.068 14.161 ( 1.661 -1.330 0.735) 2.251 14.161 ( 1.661 1.330 0.735) 2.251 14.282 ( -2.740 -5.661 4.557) 7.766 14.282 ( -2.740 5.661 4.557) 7.766 15.019 ( 5.757 -11.665 -5.843) 14.261 15.019 ( 5.757 11.665 -5.843) 14.261 15.331 ( -6.833 -5.808 0.377) 8.976 15.331 ( -6.833 5.808 0.377) 8.976 17.439 ( 3.676 -13.349 8.388) 16.188 17.439 ( 3.676 13.349 8.388) 16.188 18.854 ( 0.617 -8.963 -1.407) 9.094 18.854 ( 0.617 8.963 -1.407) 9.094 19.372 ( 2.081 -6.709 0.042) 7.024 19.372 ( 2.081 6.709 0.042) 7.024 20.087 ( 0.946 -5.254 -1.158) 5.462 20.087 ( 0.946 5.254 -1.158) 5.462 20.176 ( -2.715 -4.995 -2.154) 6.080 20.176 ( -2.715 4.995 -2.154) 6.080 ======================= Grid point 49 (26/48) ======================= q-point: ( 0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 3.365 -9.015 -3.635) 10.286 0.386 ( 3.365 9.015 -3.635) 10.286 0.742 ( -4.662 -4.475 5.835) 8.707 0.742 ( -4.662 4.475 5.835) 8.707 0.867 ( 6.949 -9.524 0.320) 11.794 0.867 ( 6.949 9.524 0.320) 11.794 1.017 ( 1.480 -3.711 1.490) 4.265 1.017 ( 1.480 3.711 1.490) 4.265 1.210 ( -0.393 -3.123 0.379) 3.170 1.210 ( -0.393 3.123 0.379) 3.170 1.285 ( 2.137 -2.311 -0.315) 3.163 1.285 ( 2.137 2.311 -0.315) 3.163 1.398 ( 0.738 -1.854 1.739) 2.647 1.398 ( 0.738 1.854 1.739) 2.647 1.630 ( 1.932 -0.832 -2.319) 3.131 1.630 ( 1.932 0.832 -2.319) 3.131 1.707 ( 1.021 -1.061 -1.586) 2.164 1.707 ( 1.021 1.061 -1.586) 2.164 1.754 ( 0.661 -2.196 -0.845) 2.444 1.754 ( 0.661 2.196 -0.845) 2.444 1.885 ( -0.790 -2.812 -0.770) 3.020 1.885 ( -0.790 2.812 -0.770) 3.020 1.929 ( 1.382 -2.078 -1.085) 2.721 1.929 ( 1.382 2.078 -1.085) 2.721 1.992 ( -0.983 -1.418 -0.935) 1.962 1.992 ( -0.983 1.418 -0.935) 1.962 2.058 ( -1.138 -2.960 -0.110) 3.173 2.058 ( -1.138 2.960 -0.110) 3.173 2.189 ( 1.087 -3.809 5.247) 6.574 2.189 ( 1.087 3.809 5.247) 6.574 2.257 ( -0.658 -3.080 -3.824) 4.954 2.257 ( -0.658 3.080 -3.824) 4.954 2.423 ( -1.126 -3.168 1.694) 3.765 2.423 ( -1.126 3.168 1.694) 3.765 2.512 ( -0.118 -2.711 -0.521) 2.763 2.512 ( -0.118 2.711 -0.521) 2.763 2.629 ( -0.090 -0.141 -0.487) 0.515 2.629 ( -0.090 0.141 -0.487) 0.515 2.721 ( 1.639 -0.699 2.399) 2.988 2.721 ( 1.639 0.699 2.399) 2.988 2.759 ( -0.781 -2.676 -5.014) 5.736 2.759 ( -0.781 2.676 -5.014) 5.736 2.950 ( 0.205 -1.992 -2.989) 3.597 2.950 ( 0.205 1.992 -2.989) 3.597 3.024 ( -1.669 -4.495 -0.797) 4.861 3.024 ( -1.669 4.495 -0.797) 4.861 3.165 ( -0.414 -3.595 0.637) 3.674 3.165 ( -0.414 3.595 0.637) 3.674 3.262 ( -1.936 -3.642 -0.216) 4.130 3.262 ( -1.936 3.642 -0.216) 4.130 3.420 ( 0.233 -3.183 6.473) 7.216 3.420 ( 0.233 3.183 6.473) 7.216 4.207 ( -3.659 -3.083 1.968) 5.173 4.207 ( -3.659 3.083 1.968) 5.173 4.422 ( -1.095 -2.817 -0.112) 3.025 4.422 ( -1.095 2.817 -0.112) 3.025 4.761 ( 1.903 -5.610 1.791) 6.189 4.761 ( 1.903 5.610 1.791) 6.189 5.177 ( -0.031 -2.933 5.192) 5.963 5.177 ( -0.031 2.933 5.192) 5.963 5.386 ( -3.170 -4.885 4.014) 7.073 5.386 ( -3.170 4.885 4.014) 7.073 5.541 ( 0.816 -0.826 -1.479) 1.880 5.541 ( 0.816 0.826 -1.479) 1.880 5.650 ( 0.095 -0.828 3.616) 3.711 5.650 ( 0.095 0.828 3.616) 3.711 5.976 ( 1.244 -4.049 -0.422) 4.257 5.976 ( 1.244 4.049 -0.422) 4.257 6.134 ( -1.060 -1.416 -1.529) 2.338 6.134 ( -1.060 1.416 -1.529) 2.338 6.279 ( 0.924 -0.676 -2.188) 2.469 6.279 ( 0.924 0.676 -2.188) 2.469 6.473 ( -0.031 -2.032 -0.361) 2.064 6.473 ( -0.031 2.032 -0.361) 2.064 6.531 ( 0.709 -3.536 -3.253) 4.857 6.531 ( 0.709 3.536 -3.253) 4.857 6.748 ( -0.217 -0.667 0.705) 0.995 6.748 ( -0.217 0.667 0.705) 0.995 7.098 ( -1.649 -4.429 1.439) 4.940 7.098 ( -1.649 4.429 1.439) 4.940 7.924 ( -2.074 -1.529 5.922) 6.458 7.924 ( -2.074 1.529 5.922) 6.458 8.489 ( -2.958 -1.618 -7.481) 8.206 8.489 ( -2.958 1.618 -7.481) 8.206 11.969 ( -3.787 -2.848 -1.214) 4.891 11.969 ( -3.787 2.848 -1.214) 4.891 12.620 ( -1.719 -7.053 -4.772) 8.687 12.620 ( -1.719 7.053 -4.772) 8.687 13.180 ( -3.238 -4.294 -0.382) 5.391 13.180 ( -3.238 4.294 -0.382) 5.391 14.188 ( -0.769 -2.348 1.688) 2.992 14.188 ( -0.769 2.348 1.688) 2.992 14.274 ( 1.659 -5.775 2.282) 6.428 14.274 ( 1.659 5.775 2.282) 6.428 14.917 ( -5.267 -4.159 -0.475) 6.728 14.917 ( -5.267 4.159 -0.475) 6.728 15.577 ( 19.481 -6.006 -4.889) 20.964 15.577 ( 19.481 6.006 -4.889) 20.964 17.499 ( -1.207 -12.767 5.106) 13.803 17.499 ( -1.207 12.767 5.106) 13.803 18.817 ( -3.176 -9.433 -1.157) 10.021 18.817 ( -3.176 9.433 -1.157) 10.021 19.444 ( 4.111 -8.826 -0.391) 9.745 19.444 ( 4.111 8.826 -0.391) 9.745 20.011 ( -4.386 -7.360 -0.927) 8.618 20.011 ( -4.386 7.360 -0.927) 8.618 20.208 ( 3.886 -3.094 -1.435) 5.170 20.208 ( 3.886 3.094 -1.435) 5.170 ======================= Grid point 51 (27/48) ======================= q-point: ( 0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.538 ( 8.481 -3.082 6.017) 10.846 0.538 ( 8.481 3.082 6.017) 10.846 0.730 ( -0.876 -4.201 9.229) 10.178 0.730 ( -0.876 4.201 9.229) 10.178 0.947 ( 1.568 -7.263 0.727) 7.466 0.947 ( 1.568 7.263 0.727) 7.466 1.106 ( 4.969 -3.224 2.268) 6.343 1.106 ( 4.969 3.224 2.268) 6.343 1.174 ( -2.591 -1.447 -0.935) 3.112 1.174 ( -2.591 1.447 -0.935) 3.112 1.348 ( 3.838 -2.455 -2.062) 5.001 1.348 ( 3.838 2.455 -2.062) 5.001 1.437 ( 2.206 -2.999 -0.442) 3.749 1.437 ( 2.206 2.999 -0.442) 3.749 1.619 ( -1.017 -0.831 -3.505) 3.743 1.619 ( -1.017 0.831 -3.505) 3.743 1.728 ( 1.266 -2.352 -1.655) 3.142 1.728 ( 1.266 2.352 -1.655) 3.142 1.752 ( -0.399 -2.281 -1.170) 2.594 1.752 ( -0.399 2.281 -1.170) 2.594 1.871 ( -1.043 -1.969 0.285) 2.247 1.871 ( -1.043 1.969 0.285) 2.247 1.930 ( -1.897 -2.351 -1.691) 3.462 1.930 ( -1.897 2.351 -1.691) 3.462 1.949 ( -0.471 -0.709 0.050) 0.853 1.949 ( -0.471 0.709 0.050) 0.853 2.058 ( 1.286 -1.825 -0.734) 2.350 2.058 ( 1.286 1.825 -0.734) 2.350 2.190 ( -1.398 -2.756 -2.439) 3.937 2.190 ( -1.398 2.756 -2.439) 3.937 2.268 ( 0.516 -3.952 4.571) 6.064 2.268 ( 0.516 3.952 4.571) 6.064 2.381 ( -1.293 -2.740 -0.079) 3.031 2.381 ( -1.293 2.740 -0.079) 3.031 2.509 ( -1.625 -2.182 0.259) 2.732 2.509 ( -1.625 2.182 0.259) 2.732 2.632 ( 1.129 -2.660 -1.316) 3.175 2.632 ( 1.129 2.660 -1.316) 3.175 2.704 ( -0.747 -2.436 -3.829) 4.599 2.704 ( -0.747 2.436 -3.829) 4.599 2.783 ( 1.426 -1.739 2.158) 3.117 2.783 ( 1.426 1.739 2.158) 3.117 2.939 ( 0.493 -2.206 -2.955) 3.721 2.939 ( 0.493 2.206 -2.955) 3.721 3.002 ( -0.275 -3.802 1.471) 4.086 3.002 ( -0.275 3.802 1.471) 4.086 3.133 ( -2.824 -6.668 -3.261) 7.942 3.133 ( -2.824 6.668 -3.261) 7.942 3.241 ( 0.683 -1.876 2.176) 2.953 3.241 ( 0.683 1.876 2.176) 2.953 3.451 ( -0.697 -4.075 6.687) 7.862 3.451 ( -0.697 4.075 6.687) 7.862 4.144 ( -2.574 -1.277 0.474) 2.912 4.144 ( -2.574 1.277 0.474) 2.912 4.386 ( -1.778 -2.733 -1.389) 3.544 4.386 ( -1.778 2.733 -1.389) 3.544 4.811 ( 1.493 -7.366 2.461) 7.909 4.811 ( 1.493 7.366 2.461) 7.909 5.193 ( -0.814 -2.651 3.964) 4.838 5.193 ( -0.814 2.651 3.964) 4.838 5.342 ( -3.093 -3.877 5.220) 7.200 5.342 ( -3.093 3.877 5.220) 7.200 5.559 ( 1.477 -1.867 -1.423) 2.774 5.559 ( 1.477 1.867 -1.423) 2.774 5.670 ( -0.132 -0.876 3.311) 3.428 5.670 ( -0.132 0.876 3.311) 3.428 5.995 ( 0.676 -3.571 -0.689) 3.699 5.995 ( 0.676 3.571 -0.689) 3.699 6.114 ( 0.044 -0.461 -1.382) 1.457 6.114 ( 0.044 0.461 -1.382) 1.457 6.286 ( 0.719 -0.830 -2.026) 2.304 6.286 ( 0.719 0.830 -2.026) 2.304 6.463 ( -0.581 -3.625 -0.508) 3.707 6.463 ( -0.581 3.625 -0.508) 3.707 6.535 ( 1.256 -3.981 -2.904) 5.085 6.535 ( 1.256 3.981 -2.904) 5.085 6.750 ( 0.270 -0.762 0.006) 0.808 6.750 ( 0.270 0.762 0.006) 0.808 7.068 ( -1.806 -4.801 1.416) 5.321 7.068 ( -1.806 4.801 1.416) 5.321 7.910 ( -2.174 -0.859 5.857) 6.306 7.910 ( -2.174 0.859 5.857) 6.306 8.409 ( -1.213 -1.630 -5.380) 5.751 8.409 ( -1.213 1.630 -5.380) 5.751 11.909 ( -1.833 -2.716 1.298) 3.524 11.909 ( -1.833 2.716 1.298) 3.524 12.572 ( -0.763 -7.380 -3.968) 8.413 12.572 ( -0.763 7.380 -3.968) 8.413 13.104 ( -3.576 -4.149 -0.077) 5.478 13.104 ( -3.576 4.149 -0.077) 5.478 14.157 ( -2.329 -2.402 1.846) 3.821 14.157 ( -2.329 2.402 1.846) 3.821 14.357 ( 4.191 -3.353 0.971) 5.455 14.357 ( 4.191 3.353 0.971) 5.455 14.839 ( -2.887 -1.339 -0.492) 3.220 14.839 ( -2.887 1.339 -0.492) 3.220 15.911 ( 14.353 -10.642 -1.155) 17.905 15.911 ( 14.353 10.642 -1.155) 17.905 17.459 ( -3.416 -14.056 -0.758) 14.485 17.459 ( -3.416 14.056 -0.758) 14.485 18.744 ( -2.671 -10.157 -1.247) 10.576 18.744 ( -2.671 10.157 -1.247) 10.576 19.500 ( 1.477 -9.064 -0.480) 9.196 19.500 ( 1.477 9.064 -0.480) 9.196 19.953 ( -1.032 -4.809 -0.753) 4.976 19.953 ( -1.032 4.809 -0.753) 4.976 20.272 ( 2.711 -1.252 -0.590) 3.044 20.272 ( 2.711 1.252 -0.590) 3.044 ======================= Grid point 53 (28/48) ======================= q-point: (-0.50 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -2.288 -0.329 5.591) 6.050 0.655 ( -2.288 0.329 5.591) 6.050 0.812 ( 2.995 -6.227 14.448) 16.016 0.812 ( 2.995 6.227 14.448) 16.016 0.957 ( -0.630 -2.361 -0.473) 2.490 0.957 ( -0.630 2.361 -0.473) 2.490 1.120 ( -2.161 -1.825 0.979) 2.994 1.120 ( -2.161 1.825 0.979) 2.994 1.208 ( 3.410 -1.625 2.970) 4.805 1.208 ( 3.410 1.625 2.970) 4.805 1.398 ( 1.386 -2.317 -1.896) 3.299 1.398 ( 1.386 2.317 -1.896) 3.299 1.463 ( 1.386 -3.074 -3.146) 4.612 1.463 ( 1.386 3.074 -3.146) 4.612 1.570 ( -1.686 -0.200 -3.380) 3.783 1.570 ( -1.686 0.200 -3.380) 3.783 1.696 ( -2.495 -0.637 -2.869) 3.854 1.696 ( -2.495 0.637 -2.869) 3.854 1.754 ( 0.866 -1.922 -2.372) 3.174 1.754 ( 0.866 1.922 -2.372) 3.174 1.835 ( -1.251 -1.432 -0.078) 1.903 1.835 ( -1.251 1.432 -0.078) 1.903 1.913 ( 0.308 -4.423 -1.696) 4.747 1.913 ( 0.308 4.423 -1.696) 4.747 1.945 ( 0.113 -1.535 0.258) 1.560 1.945 ( 0.113 1.535 0.258) 1.560 2.060 ( -0.105 -1.376 -2.744) 3.072 2.060 ( -0.105 1.376 -2.744) 3.072 2.187 ( 0.398 -2.614 2.202) 3.441 2.187 ( 0.398 2.614 2.202) 3.441 2.252 ( -1.187 -1.282 0.250) 1.765 2.252 ( -1.187 1.282 0.250) 1.765 2.404 ( 0.407 -1.303 1.521) 2.044 2.404 ( 0.407 1.303 1.521) 2.044 2.478 ( 0.386 -3.482 0.275) 3.514 2.478 ( 0.386 3.482 0.275) 3.514 2.641 ( 0.504 -4.092 -2.468) 4.805 2.641 ( 0.504 4.092 -2.468) 4.805 2.695 ( 1.039 -2.893 -2.151) 3.751 2.695 ( 1.039 2.893 -2.151) 3.751 2.805 ( 0.072 -1.998 2.199) 2.972 2.805 ( 0.072 1.998 2.199) 2.972 2.916 ( -1.046 -2.118 -2.496) 3.437 2.916 ( -1.046 2.118 -2.496) 3.437 3.027 ( 0.024 -0.498 -0.130) 0.516 3.027 ( 0.024 0.498 -0.130) 0.516 3.065 ( -0.341 -4.538 -0.836) 4.627 3.065 ( -0.341 4.538 -0.836) 4.627 3.285 ( 1.761 -0.989 1.431) 2.475 3.285 ( 1.761 0.989 1.431) 2.475 3.469 ( -1.005 -5.826 7.261) 9.363 3.469 ( -1.005 5.826 7.261) 9.363 4.116 ( -0.303 -0.213 -0.058) 0.375 4.116 ( -0.303 0.213 -0.058) 0.375 4.342 ( -1.251 -2.303 -2.787) 3.826 4.342 ( -1.251 2.303 -2.787) 3.826 4.839 ( -0.109 -6.768 2.986) 7.398 4.839 ( -0.109 6.768 2.986) 7.398 5.183 ( -2.014 -1.278 3.501) 4.236 5.183 ( -2.014 1.278 3.501) 4.236 5.326 ( -1.025 -4.044 5.247) 6.703 5.326 ( -1.025 4.044 5.247) 6.703 5.582 ( 1.268 -2.490 -0.793) 2.905 5.582 ( 1.268 2.490 -0.793) 2.905 5.674 ( -1.115 -0.823 2.966) 3.274 5.674 ( -1.115 0.823 2.966) 3.274 5.993 ( -0.283 -3.001 -1.492) 3.363 5.993 ( -0.283 3.001 -1.492) 3.363 6.116 ( 0.461 -0.724 -0.533) 1.010 6.116 ( 0.461 0.724 -0.533) 1.010 6.287 ( 0.519 -1.613 -2.287) 2.846 6.287 ( 0.519 1.613 -2.287) 2.846 6.454 ( 0.114 -3.502 -0.673) 3.568 6.454 ( 0.114 3.502 -0.673) 3.568 6.545 ( 0.919 -4.001 -2.397) 4.754 6.545 ( 0.919 4.001 -2.397) 4.754 6.754 ( 0.040 -0.413 -0.370) 0.556 6.754 ( 0.040 0.413 -0.370) 0.556 7.052 ( -0.200 -4.913 1.504) 5.142 7.052 ( -0.200 4.913 1.504) 5.142 7.902 ( -1.565 -0.387 5.756) 5.978 7.902 ( -1.565 0.387 5.756) 5.978 8.390 ( 1.920 -1.474 -4.551) 5.155 8.390 ( 1.920 1.474 -4.551) 5.155 11.914 ( 1.209 -4.272 3.123) 5.428 11.914 ( 1.209 4.272 3.123) 5.428 12.551 ( 1.082 -7.825 -4.704) 9.194 12.551 ( 1.082 7.825 -4.704) 9.194 13.052 ( -1.215 -4.284 -0.131) 4.455 13.052 ( -1.215 4.284 -0.131) 4.455 14.127 ( -1.295 -1.575 1.279) 2.407 14.127 ( -1.295 1.575 1.279) 2.407 14.419 ( 0.821 -1.696 1.517) 2.419 14.419 ( 0.821 1.696 1.517) 2.419 14.785 ( -1.717 -2.431 -2.015) 3.594 14.785 ( -1.717 2.431 -2.015) 3.594 16.137 ( 6.357 -15.345 5.006) 17.347 16.137 ( 6.357 15.345 5.006) 17.347 17.361 ( -4.422 -15.267 -5.719) 16.892 17.361 ( -4.422 15.267 -5.719) 16.892 18.714 ( 0.535 -10.315 -1.186) 10.396 18.714 ( 0.535 10.315 -1.186) 10.396 19.503 ( -1.147 -7.942 -0.238) 8.028 19.503 ( -1.147 7.942 -0.238) 8.028 19.944 ( 0.584 -2.429 -1.308) 2.820 19.944 ( 0.584 2.429 -1.308) 2.820 20.309 ( 1.032 -1.916 0.039) 2.176 20.309 ( 1.032 1.916 0.039) 2.176 ======================= Grid point 55 (29/48) ======================= q-point: (-0.33 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.558 ( -7.715 -4.300 3.319) 9.435 0.558 ( -7.715 4.300 3.319) 9.435 0.889 ( -2.495 -8.503 6.051) 10.730 0.889 ( -2.495 8.503 6.051) 10.730 0.963 ( 0.135 -3.759 6.134) 7.195 0.963 ( 0.135 3.759 6.134) 7.195 1.074 ( -3.478 -2.075 3.449) 5.320 1.074 ( -3.478 2.075 3.449) 5.320 1.250 ( -1.529 -0.127 0.947) 1.803 1.250 ( -1.529 0.127 0.947) 1.803 1.365 ( -3.168 -3.066 -0.302) 4.419 1.365 ( -3.168 3.066 -0.302) 4.419 1.457 ( 0.094 -3.703 -0.177) 3.709 1.457 ( 0.094 3.703 -0.177) 3.709 1.546 ( 0.179 -4.202 -5.865) 7.217 1.546 ( 0.179 4.202 -5.865) 7.217 1.653 ( 1.025 -1.349 -2.856) 3.321 1.653 ( 1.025 1.349 -2.856) 3.321 1.751 ( 0.593 -1.256 -4.011) 4.245 1.751 ( 0.593 1.256 -4.011) 4.245 1.834 ( 0.196 -2.245 0.835) 2.403 1.834 ( 0.196 2.245 0.835) 2.403 1.910 ( 1.515 -3.722 -1.789) 4.399 1.910 ( 1.515 3.722 -1.789) 4.399 1.964 ( 1.190 -1.955 1.800) 2.912 1.964 ( 1.190 1.955 1.800) 2.912 2.057 ( 0.518 -2.754 -2.001) 3.443 2.057 ( 0.518 2.754 -2.001) 3.443 2.159 ( -2.849 -2.376 1.198) 3.898 2.159 ( -2.849 2.376 1.198) 3.898 2.268 ( 0.742 -0.941 1.081) 1.614 2.268 ( 0.742 0.941 1.081) 1.614 2.391 ( 0.047 -1.803 -1.639) 2.437 2.391 ( 0.047 1.803 -1.639) 2.437 2.529 ( 2.868 -2.040 -1.005) 3.660 2.529 ( 2.868 2.040 -1.005) 3.660 2.624 ( -0.939 -2.077 -1.486) 2.721 2.624 ( -0.939 2.077 -1.486) 2.721 2.701 ( 0.180 -1.388 0.137) 1.406 2.701 ( 0.180 1.388 0.137) 1.406 2.835 ( 1.693 -0.115 2.620) 3.122 2.835 ( 1.693 0.115 2.620) 3.122 2.899 ( 0.628 -3.337 -2.975) 4.514 2.899 ( 0.628 3.337 -2.975) 4.514 2.989 ( -0.765 -3.841 -3.139) 5.019 2.989 ( -0.765 3.841 -3.139) 5.019 3.103 ( 1.261 -1.077 3.616) 3.978 3.103 ( 1.261 1.077 3.616) 3.978 3.305 ( -0.045 -0.818 -0.929) 1.239 3.305 ( -0.045 0.818 -0.929) 1.239 3.478 ( -2.022 -6.609 6.667) 9.603 3.478 ( -2.022 6.609 6.667) 9.603 4.132 ( 1.900 -0.205 0.424) 1.957 4.132 ( 1.900 0.205 0.424) 1.957 4.320 ( 0.711 -0.575 -2.310) 2.484 4.320 ( 0.711 0.575 -2.310) 2.484 4.840 ( -1.440 -4.942 3.034) 5.975 4.840 ( -1.440 4.942 3.034) 5.975 5.155 ( -2.476 -0.081 4.385) 5.036 5.155 ( -2.476 0.081 4.385) 5.036 5.351 ( 0.845 -4.509 4.111) 6.160 5.351 ( 0.845 4.509 4.111) 6.160 5.596 ( 0.244 -2.253 -0.304) 2.287 5.596 ( 0.244 2.253 -0.304) 2.287 5.656 ( -2.034 -1.021 2.921) 3.703 5.656 ( -2.034 1.021 2.921) 3.703 5.973 ( -0.660 -3.368 -1.789) 3.870 5.973 ( -0.660 3.368 -1.789) 3.870 6.125 ( 0.644 -2.199 0.048) 2.292 6.125 ( 0.644 2.199 0.048) 2.292 6.285 ( 0.572 -2.411 -2.508) 3.526 6.285 ( 0.572 2.411 -2.508) 3.526 6.460 ( 0.700 -2.789 -0.683) 2.955 6.460 ( 0.700 2.789 -0.683) 2.955 6.542 ( 0.093 -4.174 -2.546) 4.890 6.542 ( 0.093 4.174 -2.546) 4.890 6.749 ( -0.219 -0.762 -0.173) 0.812 6.749 ( -0.219 0.762 -0.173) 0.812 7.076 ( 1.403 -4.610 1.666) 5.099 7.076 ( 1.403 4.610 1.666) 5.099 7.907 ( -0.908 -0.844 5.699) 5.832 7.907 ( -0.908 0.844 5.699) 5.832 8.440 ( 5.351 -1.739 -4.890) 7.454 8.440 ( 5.351 1.739 -4.890) 7.454 11.983 ( 3.447 -3.845 3.263) 6.108 11.983 ( 3.447 3.845 3.263) 6.108 12.575 ( 4.104 -8.040 -5.494) 10.567 12.575 ( 4.104 8.040 -5.494) 10.567 13.060 ( 2.192 -4.684 -0.094) 5.173 13.060 ( 2.192 4.684 -0.094) 5.173 14.119 ( -0.197 -1.957 1.190) 2.299 14.119 ( -0.197 1.957 1.190) 2.299 14.401 ( -3.258 -1.177 1.963) 3.981 14.401 ( -3.258 1.177 1.963) 3.981 14.763 ( 1.109 -3.643 -2.194) 4.395 14.763 ( 1.109 3.643 -2.194) 4.395 16.160 ( -8.690 -17.638 3.564) 19.983 16.160 ( -8.690 17.638 3.564) 19.983 17.256 ( -1.622 -14.101 -4.128) 14.782 17.256 ( -1.622 14.101 -4.128) 14.782 18.749 ( 3.277 -9.280 -1.491) 9.954 18.749 ( 3.277 9.280 -1.491) 9.954 19.448 ( -3.616 -6.273 -1.030) 7.314 19.448 ( -3.616 6.273 -1.030) 7.314 19.971 ( 2.566 -2.820 -0.647) 3.867 19.971 ( 2.566 2.820 -0.647) 3.867 20.311 ( -0.868 -4.187 -0.093) 4.277 20.311 ( -0.868 4.187 -0.093) 4.277 ======================= Grid point 57 (30/48) ======================= q-point: (-0.17 -0.50 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.466 ( -0.007 -9.952 -1.241) 10.029 0.466 ( -0.007 9.952 -1.241) 10.029 0.790 ( -9.127 -10.461 0.071) 13.883 0.790 ( -9.127 10.461 0.071) 13.883 0.925 ( -3.149 -2.550 1.480) 4.314 0.925 ( -3.149 2.550 1.480) 4.314 1.060 ( -2.049 -1.879 2.907) 4.023 1.060 ( -2.049 1.879 2.907) 4.023 1.196 ( -1.984 -4.833 3.143) 6.097 1.196 ( -1.984 4.833 3.143) 6.097 1.322 ( -2.814 -1.427 4.997) 5.910 1.322 ( -2.814 1.427 4.997) 5.910 1.465 ( -2.198 -2.205 -1.923) 3.660 1.465 ( -2.198 2.205 -1.923) 3.660 1.503 ( 1.459 -1.025 -1.449) 2.298 1.503 ( 1.459 1.025 -1.449) 2.298 1.680 ( 2.217 -2.294 -3.085) 4.438 1.680 ( 2.217 2.294 -3.085) 4.438 1.742 ( 0.860 -1.132 -4.699) 4.909 1.742 ( 0.860 1.132 -4.699) 4.909 1.852 ( 1.521 -1.275 1.425) 2.444 1.852 ( 1.521 1.275 1.425) 2.444 1.954 ( 0.990 -2.718 -0.193) 2.899 1.954 ( 0.990 2.718 -0.193) 2.899 2.000 ( 0.430 -1.117 2.356) 2.642 2.000 ( 0.430 1.117 2.356) 2.642 2.050 ( 1.317 -1.320 -2.893) 3.442 2.050 ( 1.317 1.320 -2.893) 3.442 2.126 ( -0.641 -2.975 0.878) 3.168 2.126 ( -0.641 2.975 0.878) 3.168 2.268 ( -0.495 -1.486 -0.609) 1.680 2.268 ( -0.495 1.486 -0.609) 1.680 2.399 ( 1.152 -3.922 -0.483) 4.116 2.399 ( 1.152 3.922 -0.483) 4.116 2.544 ( -0.648 -4.229 -0.135) 4.280 2.544 ( -0.648 4.229 -0.135) 4.280 2.613 ( 0.314 -2.181 -0.466) 2.253 2.613 ( 0.314 2.181 -0.466) 2.253 2.708 ( 0.281 -1.265 -0.532) 1.401 2.708 ( 0.281 1.265 -0.532) 1.401 2.868 ( -1.469 -4.784 -5.070) 7.124 2.868 ( -1.469 4.784 -5.070) 7.124 2.898 ( 3.041 -0.940 1.498) 3.518 2.898 ( 3.041 0.940 1.498) 3.518 2.997 ( 2.404 -3.440 -1.441) 4.437 2.997 ( 2.404 3.440 -1.441) 4.437 3.140 ( 0.349 -1.349 4.318) 4.537 3.140 ( 0.349 1.349 4.318) 4.537 3.281 ( -1.242 -1.698 -1.639) 2.667 3.281 ( -1.242 1.698 -1.639) 2.667 3.454 ( -3.278 -5.453 5.589) 8.468 3.454 ( -3.278 5.453 5.589) 8.468 4.192 ( 2.834 -0.443 2.253) 3.648 4.192 ( 2.834 0.443 2.253) 3.648 4.351 ( 2.940 -1.914 -0.582) 3.556 4.351 ( 2.940 1.914 -0.582) 3.556 4.804 ( -3.170 -2.764 1.077) 4.341 4.804 ( -3.170 2.764 1.077) 4.341 5.139 ( -1.709 -0.692 6.189) 6.458 5.139 ( -1.709 0.692 6.189) 6.458 5.393 ( 1.177 -5.277 2.969) 6.168 5.393 ( 1.177 5.277 2.969) 6.168 5.580 ( -1.553 -1.078 -0.573) 1.976 5.580 ( -1.553 1.078 -0.573) 1.976 5.634 ( -1.466 -0.995 3.685) 4.089 5.634 ( -1.466 0.995 3.685) 4.089 5.956 ( 0.056 -3.857 -1.693) 4.213 5.956 ( 0.056 3.857 -1.693) 4.213 6.143 ( 0.922 -3.332 0.253) 3.467 6.143 ( 0.922 3.332 0.253) 3.467 6.283 ( 0.527 -2.951 -2.859) 4.143 6.283 ( 0.527 2.951 -2.859) 4.143 6.469 ( 0.410 -2.096 -0.646) 2.231 6.469 ( 0.410 2.096 -0.646) 2.231 6.532 ( 0.517 -4.070 -2.832) 4.985 6.532 ( 0.517 4.070 -2.832) 4.985 6.746 ( -0.085 -1.436 0.434) 1.503 6.746 ( -0.085 1.436 0.434) 1.503 7.109 ( 0.671 -4.840 1.722) 5.180 7.109 ( 0.671 4.840 1.722) 5.180 7.920 ( -0.823 -1.647 5.735) 6.023 7.920 ( -0.823 1.647 5.735) 6.023 8.536 ( 6.114 -1.197 -6.885) 9.285 8.536 ( 6.114 1.197 -6.885) 9.285 12.057 ( 2.038 -4.153 0.542) 4.658 12.057 ( 2.038 4.153 0.542) 4.658 12.649 ( 5.256 -6.472 -6.604) 10.636 12.649 ( 5.256 6.472 -6.604) 10.636 13.136 ( 4.831 -4.484 -0.119) 6.592 13.136 ( 4.831 4.484 -0.119) 6.592 14.129 ( 0.689 -2.605 1.392) 3.033 14.129 ( 0.689 2.605 1.392) 3.033 14.331 ( -4.120 -2.548 2.811) 5.601 14.331 ( -4.120 2.548 2.811) 5.601 14.833 ( 7.593 -4.359 -1.920) 8.963 14.833 ( 7.593 4.359 -1.920) 8.963 15.784 ( -25.858 -11.329 -3.159) 28.407 15.784 ( -25.858 11.329 -3.159) 28.407 17.299 ( 4.975 -14.135 4.928) 15.774 17.299 ( 4.975 14.135 4.928) 15.774 18.814 ( 3.564 -8.579 -1.890) 9.480 18.814 ( 3.564 8.579 -1.890) 9.480 19.376 ( -2.245 -5.341 -0.493) 5.814 19.376 ( -2.245 5.341 -0.493) 5.814 20.032 ( 3.468 -3.590 -0.809) 5.057 20.032 ( 3.468 3.590 -0.809) 5.057 20.266 ( -3.386 -5.383 -1.140) 6.461 20.266 ( -3.386 5.383 -1.140) 6.461 ======================= Grid point 65 (31/48) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 8.662 0.000 13.560) 16.091 0.616 ( -10.363 0.000 9.110) 13.798 0.679 ( -3.326 0.000 4.885) 5.910 0.761 ( -5.247 0.000 -9.844) 11.155 0.851 ( 4.574 0.000 -7.472) 8.761 0.914 ( 5.240 0.000 0.443) 5.259 1.023 ( -2.634 0.000 5.744) 6.319 1.163 ( -0.472 0.000 3.155) 3.190 1.164 ( 1.617 0.000 0.786) 1.798 1.226 ( 3.932 0.000 -5.356) 6.644 1.243 ( -2.843 0.000 4.310) 5.163 1.327 ( -0.227 0.000 7.046) 7.050 1.362 ( 0.036 0.000 -4.886) 4.886 1.507 ( 1.639 0.000 -8.348) 8.508 1.559 ( 0.249 0.000 -0.882) 0.917 1.559 ( -1.405 0.000 -1.136) 1.807 1.620 ( -0.393 0.000 3.042) 3.068 1.673 ( 1.600 0.000 -0.079) 1.601 1.713 ( 0.906 0.000 1.173) 1.482 1.741 ( -0.875 0.000 -2.878) 3.008 1.847 ( 0.094 0.000 0.274) 0.289 1.860 ( -2.677 0.000 -0.640) 2.752 1.893 ( 2.271 0.000 0.534) 2.333 1.906 ( -1.267 0.000 0.608) 1.405 1.973 ( -0.179 0.000 1.345) 1.357 1.973 ( -0.221 0.000 1.866) 1.879 2.013 ( 2.108 0.000 0.361) 2.139 2.086 ( -0.282 0.000 -5.455) 5.462 2.155 ( 0.537 0.000 2.000) 2.071 2.213 ( 1.200 0.000 4.702) 4.853 2.219 ( -1.451 0.000 -2.235) 2.664 2.340 ( 0.965 0.000 -2.187) 2.391 2.441 ( -1.514 0.000 -5.835) 6.029 2.468 ( 2.857 0.000 -3.128) 4.237 2.504 ( -5.374 0.000 0.634) 5.411 2.511 ( 3.724 0.000 -0.177) 3.729 2.587 ( -0.196 0.000 -0.380) 0.428 2.602 ( 0.130 0.000 -0.719) 0.731 2.655 ( -0.053 0.000 2.647) 2.647 2.726 ( -0.738 0.000 -2.591) 2.693 2.824 ( 1.431 0.000 6.588) 6.742 2.863 ( 0.644 0.000 1.430) 1.568 2.910 ( -0.535 0.000 -0.980) 1.117 2.981 ( -2.666 0.000 -3.823) 4.660 3.033 ( -1.306 0.000 2.909) 3.189 3.099 ( 2.181 0.000 -3.124) 3.810 3.152 ( -0.787 0.000 -1.203) 1.438 3.169 ( 1.106 0.000 -1.969) 2.258 3.258 ( -7.505 0.000 1.699) 7.695 3.275 ( 7.887 0.000 0.320) 7.894 3.306 ( 1.441 0.000 4.372) 4.604 3.422 ( 0.221 0.000 -5.068) 5.072 4.242 ( -3.016 0.000 3.497) 4.618 4.305 ( 2.280 0.000 -1.848) 2.935 4.452 ( 6.474 0.000 2.817) 7.060 4.495 ( -5.728 0.000 -0.355) 5.739 4.774 ( 3.633 0.000 -0.824) 3.726 4.776 ( -6.528 0.000 0.289) 6.534 5.230 ( 0.865 0.000 2.410) 2.560 5.242 ( -0.638 0.000 2.336) 2.421 5.437 ( -0.726 0.000 2.840) 2.932 5.509 ( 2.434 0.000 -2.448) 3.452 5.560 ( 0.826 0.000 2.679) 2.804 5.628 ( -0.034 0.000 -3.896) 3.896 5.775 ( -4.454 0.000 5.865) 7.364 5.836 ( -4.755 0.000 8.390) 9.644 5.860 ( 2.402 0.000 -0.573) 2.469 5.936 ( -0.329 0.000 0.605) 0.689 6.015 ( 0.412 0.000 -3.863) 3.885 6.017 ( 3.376 0.000 -6.940) 7.717 6.205 ( -1.317 0.000 1.307) 1.855 6.274 ( 0.599 0.000 -2.910) 2.971 6.412 ( 0.386 0.000 0.182) 0.427 6.414 ( -0.349 0.000 0.110) 0.366 6.503 ( 1.466 0.000 0.481) 1.542 6.531 ( -0.084 0.000 -2.426) 2.428 6.718 ( 1.282 0.000 -0.331) 1.324 6.721 ( -0.761 0.000 -0.484) 0.902 7.178 ( -0.999 0.000 5.706) 5.793 7.283 ( -1.170 0.000 -3.724) 3.903 8.047 ( -2.023 0.000 8.600) 8.835 8.164 ( -1.876 0.000 7.627) 7.854 8.223 ( 2.148 0.000 -6.506) 6.851 8.341 ( 1.692 0.000 -8.457) 8.625 11.915 ( 2.558 0.000 4.742) 5.388 12.066 ( -2.694 0.000 -7.982) 8.424 12.735 ( -1.663 0.000 2.406) 2.924 12.780 ( 1.895 0.000 -1.631) 2.500 13.117 ( -0.650 0.000 1.958) 2.064 13.201 ( 2.805 0.000 -5.982) 6.607 14.146 ( -2.333 0.000 0.522) 2.391 14.152 ( 3.095 0.000 0.419) 3.123 14.269 ( -5.592 0.000 4.518) 7.189 14.382 ( 3.502 0.000 -4.923) 6.041 14.859 ( -2.381 0.000 9.922) 10.204 15.147 ( 20.100 0.000 -12.536) 23.689 15.319 ( -19.055 0.000 -0.026) 19.055 15.408 ( 1.171 0.000 -4.567) 4.715 17.484 ( 5.449 0.000 14.296) 15.299 17.727 ( -1.549 0.000 -7.908) 8.058 18.604 ( 1.575 0.000 2.890) 3.291 18.706 ( 0.447 0.000 -6.633) 6.648 19.433 ( -5.972 0.000 6.124) 8.554 19.576 ( 4.238 0.000 -6.645) 7.881 19.786 ( -2.193 0.000 7.517) 7.831 19.916 ( 4.091 0.000 -4.342) 5.966 20.224 ( 1.009 0.000 1.394) 1.721 20.263 ( -2.772 0.000 -1.980) 3.407 ======================= Grid point 66 (32/48) ======================= q-point: ( 0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 1.240 0.000 10.659) 10.731 0.597 ( 0.040 0.000 -12.444) 12.445 0.665 ( 7.494 0.000 11.224) 13.496 0.703 ( 1.062 0.000 3.033) 3.213 0.963 ( 7.618 0.000 -3.424) 8.352 0.999 ( 0.539 0.000 -6.408) 6.430 1.035 ( 1.692 0.000 8.727) 8.889 1.181 ( 1.112 0.000 2.990) 3.190 1.196 ( 1.420 0.000 0.525) 1.514 1.263 ( 1.553 0.000 8.425) 8.567 1.300 ( 5.979 0.000 -10.104) 11.741 1.357 ( 1.315 0.000 -4.042) 4.250 1.380 ( 2.480 0.000 4.802) 5.405 1.481 ( -0.976 0.000 -3.721) 3.847 1.519 ( -2.329 0.000 0.433) 2.369 1.571 ( 1.774 0.000 -2.412) 2.994 1.630 ( 0.289 0.000 2.191) 2.210 1.681 ( -0.711 0.000 -3.324) 3.399 1.686 ( -2.762 0.000 -1.123) 2.982 1.713 ( 0.341 0.000 -1.180) 1.228 1.816 ( -1.744 0.000 0.600) 1.844 1.869 ( 0.836 0.000 2.713) 2.839 1.885 ( -1.017 0.000 -1.528) 1.835 1.932 ( 0.688 0.000 1.353) 1.518 1.978 ( 0.902 0.000 0.206) 0.925 1.991 ( 1.611 0.000 3.065) 3.462 2.027 ( -2.364 0.000 -4.931) 5.468 2.035 ( -0.134 0.000 -0.886) 0.896 2.180 ( -0.897 0.000 -3.609) 3.719 2.199 ( 1.109 0.000 6.477) 6.571 2.246 ( -0.110 0.000 1.837) 1.840 2.328 ( -0.761 0.000 -9.179) 9.211 2.373 ( -1.919 0.000 -0.832) 2.091 2.448 ( 0.512 0.000 2.600) 2.650 2.473 ( 1.270 0.000 -2.159) 2.505 2.551 ( -2.276 0.000 -0.398) 2.310 2.589 ( -1.790 0.000 -0.540) 1.869 2.665 ( 2.015 0.000 2.303) 3.060 2.675 ( 5.311 0.000 1.315) 5.471 2.698 ( -0.588 0.000 -2.398) 2.469 2.869 ( -0.576 0.000 -0.262) 0.633 2.872 ( -1.320 0.000 -1.968) 2.370 2.893 ( -3.890 0.000 -1.863) 4.313 2.898 ( 0.367 0.000 6.085) 6.096 3.019 ( -1.477 0.000 3.369) 3.678 3.088 ( -6.671 0.000 0.609) 6.698 3.115 ( -1.166 0.000 -1.928) 2.253 3.137 ( 1.923 0.000 -1.845) 2.665 3.183 ( 1.003 0.000 -1.750) 2.017 3.298 ( -0.374 0.000 2.314) 2.344 3.414 ( 1.243 0.000 -5.062) 5.212 3.455 ( 5.147 0.000 -0.159) 5.150 4.178 ( -4.466 0.000 2.168) 4.964 4.295 ( -2.608 0.000 -0.320) 2.627 4.352 ( -5.585 0.000 -1.170) 5.706 4.527 ( -2.722 0.000 0.263) 2.735 4.688 ( -0.106 0.000 5.055) 5.056 4.872 ( 4.669 0.000 0.951) 4.765 5.243 ( 0.026 0.000 1.029) 1.029 5.248 ( -0.125 0.000 1.374) 1.380 5.445 ( 0.022 0.000 1.996) 1.996 5.545 ( 2.036 0.000 -3.370) 3.937 5.567 ( -1.900 0.000 3.662) 4.125 5.614 ( 1.222 0.000 -5.604) 5.735 5.714 ( -3.919 0.000 6.084) 7.237 5.796 ( -3.231 0.000 9.509) 10.043 5.905 ( 1.020 0.000 2.219) 2.442 5.948 ( 2.028 0.000 -2.200) 2.992 6.017 ( 1.502 0.000 -3.015) 3.368 6.055 ( 3.329 0.000 -5.205) 6.179 6.183 ( -1.241 0.000 0.941) 1.557 6.253 ( -1.667 0.000 -1.191) 2.049 6.403 ( -0.538 0.000 -0.250) 0.593 6.414 ( -0.340 0.000 0.428) 0.547 6.520 ( 0.687 0.000 -3.423) 3.491 6.528 ( 0.629 0.000 0.283) 0.690 6.706 ( -0.263 0.000 -0.591) 0.647 6.744 ( 1.297 0.000 -0.641) 1.447 7.156 ( -4.140 0.000 6.239) 7.488 7.224 ( -2.370 0.000 -2.291) 3.296 8.045 ( -2.422 0.000 7.957) 8.318 8.146 ( -3.685 0.000 8.353) 9.130 8.227 ( 1.738 0.000 -6.994) 7.207 8.317 ( 0.392 0.000 -8.318) 8.328 11.928 ( -5.794 0.000 -6.802) 8.936 11.960 ( -1.069 0.000 4.912) 5.027 12.697 ( -2.669 0.000 1.362) 2.996 12.747 ( -3.517 0.000 1.333) 3.761 13.092 ( -2.345 0.000 1.157) 2.614 13.188 ( -0.378 0.000 -6.176) 6.187 14.109 ( -1.456 0.000 0.278) 1.482 14.192 ( -3.499 0.000 5.771) 6.749 14.233 ( 4.547 0.000 -0.114) 4.549 14.406 ( 1.303 0.000 -3.602) 3.831 14.821 ( -3.277 0.000 4.509) 5.574 14.983 ( -9.082 0.000 -5.250) 10.490 15.646 ( 18.004 0.000 4.940) 18.670 15.663 ( 27.491 0.000 -8.812) 28.869 17.523 ( -6.847 0.000 10.697) 12.700 17.573 ( -6.313 0.000 -13.042) 14.490 18.593 ( -3.353 0.000 2.094) 3.953 18.649 ( -2.005 0.000 -7.616) 7.875 19.405 ( -0.537 0.000 9.013) 9.029 19.698 ( 9.003 0.000 -6.235) 10.951 19.773 ( -2.368 0.000 5.555) 6.039 19.982 ( 5.121 0.000 -7.632) 9.191 20.208 ( -1.799 0.000 -0.625) 1.905 20.250 ( 0.186 0.000 3.123) 3.129 ======================= Grid point 67 (33/48) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.601 ( 4.216 0.000 -5.571) 6.987 0.710 ( 5.402 0.000 11.889) 13.059 0.814 ( 6.874 0.000 4.373) 8.147 0.864 ( 7.316 0.000 5.505) 9.155 0.960 ( -0.826 0.000 -4.520) 4.595 1.076 ( -1.453 0.000 7.099) 7.246 1.086 ( 5.138 0.000 -0.163) 5.141 1.228 ( 2.104 0.000 -2.732) 3.449 1.233 ( 1.876 0.000 2.991) 3.531 1.296 ( -2.381 0.000 6.308) 6.742 1.313 ( -2.188 0.000 -6.453) 6.814 1.364 ( 2.515 0.000 -5.601) 6.139 1.430 ( -1.221 0.000 -2.718) 2.980 1.435 ( -2.194 0.000 2.019) 2.982 1.512 ( 2.330 0.000 3.010) 3.806 1.593 ( 1.267 0.000 -3.230) 3.470 1.616 ( -1.505 0.000 -6.560) 6.730 1.638 ( -0.923 0.000 -4.740) 4.829 1.677 ( 1.430 0.000 4.084) 4.327 1.732 ( 1.757 0.000 -1.974) 2.643 1.774 ( -2.202 0.000 2.226) 3.131 1.857 ( -0.520 0.000 -1.892) 1.963 1.883 ( -0.377 0.000 0.196) 0.425 1.955 ( 1.221 0.000 1.045) 1.608 1.966 ( -1.298 0.000 -1.298) 1.835 2.009 ( -1.117 0.000 0.149) 1.127 2.018 ( 2.745 0.000 0.294) 2.760 2.067 ( 1.905 0.000 1.618) 2.500 2.156 ( 2.546 0.000 -3.493) 4.322 2.219 ( -2.577 0.000 4.462) 5.153 2.253 ( -1.313 0.000 -6.264) 6.400 2.255 ( 0.263 0.000 2.572) 2.586 2.379 ( 2.478 0.000 -0.335) 2.501 2.446 ( -7.041 0.000 3.088) 7.688 2.455 ( -4.961 0.000 -1.103) 5.082 2.512 ( 2.059 0.000 -1.609) 2.613 2.566 ( 3.591 0.000 0.571) 3.636 2.673 ( -0.824 0.000 -1.346) 1.578 2.685 ( -1.068 0.000 4.813) 4.930 2.779 ( -3.916 0.000 -4.694) 6.113 2.794 ( 5.227 0.000 -3.629) 6.364 2.817 ( -0.895 0.000 -2.048) 2.235 2.880 ( -0.034 0.000 3.142) 3.142 2.924 ( 0.365 0.000 0.641) 0.737 2.986 ( -2.460 0.000 4.526) 5.152 3.068 ( -2.516 0.000 0.554) 2.576 3.101 ( 3.467 0.000 4.500) 5.681 3.176 ( 2.820 0.000 -3.971) 4.871 3.187 ( 0.276 0.000 -1.649) 1.672 3.301 ( -0.744 0.000 1.876) 2.018 3.415 ( 1.205 0.000 -4.068) 4.242 3.476 ( -2.305 0.000 -2.175) 3.169 4.113 ( -1.782 0.000 0.867) 1.982 4.209 ( -4.320 0.000 0.182) 4.323 4.295 ( -0.772 0.000 0.398) 0.869 4.426 ( -4.688 0.000 -0.989) 4.791 4.771 ( 2.725 0.000 8.602) 9.024 4.956 ( 3.193 0.000 0.049) 3.194 5.241 ( -1.161 0.000 1.652) 2.019 5.254 ( 0.670 0.000 0.154) 0.687 5.449 ( -0.869 0.000 2.780) 2.912 5.529 ( -3.690 0.000 5.281) 6.442 5.551 ( 0.550 0.000 -4.705) 4.737 5.615 ( 1.865 0.000 -6.083) 6.363 5.704 ( -0.304 0.000 7.345) 7.351 5.798 ( -1.527 0.000 8.640) 8.774 5.914 ( -0.891 0.000 1.441) 1.694 5.981 ( 2.364 0.000 -4.826) 5.374 6.037 ( 1.388 0.000 -1.556) 2.085 6.086 ( 1.669 0.000 -4.281) 4.595 6.170 ( -0.197 0.000 -0.042) 0.201 6.204 ( -1.953 0.000 -0.535) 2.025 6.393 ( -0.407 0.000 0.463) 0.616 6.406 ( -0.483 0.000 0.205) 0.525 6.527 ( 1.543 0.000 -3.265) 3.611 6.531 ( -0.438 0.000 0.337) 0.553 6.708 ( 0.654 0.000 -0.152) 0.672 6.757 ( 0.308 0.000 -1.024) 1.069 7.094 ( -4.172 0.000 5.497) 6.901 7.176 ( -1.064 0.000 -2.567) 2.778 8.035 ( -2.243 0.000 7.481) 7.810 8.111 ( -4.064 0.000 9.085) 9.952 8.223 ( 1.382 0.000 -7.008) 7.143 8.281 ( 0.852 0.000 -8.519) 8.561 11.803 ( -3.133 0.000 -3.310) 4.558 11.919 ( -4.063 0.000 0.758) 4.134 12.666 ( -0.401 0.000 0.629) 0.746 12.686 ( -3.846 0.000 4.428) 5.865 13.051 ( -1.880 0.000 0.897) 2.083 13.143 ( -0.640 0.000 -5.827) 5.862 14.102 ( 0.620 0.000 1.552) 1.671 14.170 ( -2.192 0.000 5.837) 6.235 14.333 ( 4.927 0.000 -1.822) 5.253 14.404 ( 0.052 0.000 -2.780) 2.781 14.793 ( -1.553 0.000 2.243) 2.728 14.818 ( -4.811 0.000 -2.858) 5.595 16.008 ( 10.437 0.000 10.013) 14.463 16.113 ( 19.865 0.000 -10.237) 22.348 17.412 ( -6.922 0.000 8.755) 11.161 17.434 ( 0.924 0.000 -12.506) 12.540 18.506 ( -5.928 0.000 2.057) 6.275 18.572 ( -0.680 0.000 -9.001) 9.027 19.482 ( 1.897 0.000 12.501) 12.644 19.756 ( -1.711 0.000 4.758) 5.056 19.809 ( 4.624 0.000 -6.470) 7.952 20.011 ( 1.492 0.000 -11.586) 11.682 20.204 ( 2.166 0.000 0.220) 2.177 20.255 ( -1.660 0.000 3.907) 4.245 ======================= Grid point 68 (34/48) ======================= q-point: (-0.50 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.671 ( 2.492 0.000 2.984) 3.888 0.843 ( -3.071 0.000 -9.047) 9.554 0.871 ( 1.882 0.000 13.739) 13.867 0.952 ( 3.385 0.000 4.780) 5.857 1.022 ( -1.852 0.000 7.294) 7.525 1.089 ( 3.444 0.000 4.168) 5.407 1.118 ( -7.012 0.000 -1.182) 7.111 1.206 ( 1.364 0.000 -3.062) 3.352 1.256 ( -4.361 0.000 1.990) 4.793 1.272 ( 3.250 0.000 -3.412) 4.712 1.275 ( -0.228 0.000 3.692) 3.699 1.358 ( -6.085 0.000 2.862) 6.724 1.397 ( 2.120 0.000 -6.399) 6.741 1.422 ( 2.210 0.000 -2.358) 3.232 1.524 ( -2.115 0.000 -3.429) 4.029 1.559 ( 0.847 0.000 2.040) 2.209 1.571 ( -0.472 0.000 -4.931) 4.953 1.614 ( 0.528 0.000 -3.943) 3.978 1.714 ( -0.318 0.000 2.382) 2.403 1.748 ( 0.895 0.000 -1.815) 2.024 1.793 ( 1.913 0.000 2.103) 2.843 1.853 ( 0.424 0.000 1.334) 1.400 1.862 ( -1.424 0.000 -1.698) 2.216 1.957 ( 0.026 0.000 1.195) 1.196 1.965 ( -2.684 0.000 -1.237) 2.955 1.975 ( 0.891 0.000 -6.022) 6.087 2.057 ( -0.992 0.000 1.047) 1.443 2.076 ( 1.809 0.000 0.379) 1.848 2.188 ( -2.179 0.000 3.973) 4.531 2.221 ( 0.507 0.000 0.082) 0.514 2.246 ( -1.851 0.000 0.104) 1.854 2.288 ( 7.309 0.000 -0.970) 7.373 2.324 ( -2.100 0.000 1.508) 2.586 2.385 ( 0.726 0.000 -1.870) 2.006 2.465 ( 4.344 0.000 0.482) 4.370 2.512 ( -2.699 0.000 -2.510) 3.686 2.631 ( -3.069 0.000 0.624) 3.131 2.646 ( 1.515 0.000 -1.543) 2.162 2.667 ( 1.060 0.000 4.423) 4.548 2.738 ( -0.045 0.000 0.894) 0.895 2.801 ( -0.299 0.000 -1.839) 1.863 2.826 ( 0.203 0.000 -7.352) 7.354 2.903 ( 0.366 0.000 2.629) 2.654 2.933 ( -0.146 0.000 1.100) 1.110 2.979 ( -0.324 0.000 3.395) 3.410 3.051 ( 1.153 0.000 0.017) 1.153 3.179 ( 0.091 0.000 -1.565) 1.567 3.195 ( 0.932 0.000 -4.532) 4.627 3.207 ( 4.301 0.000 4.292) 6.076 3.259 ( -3.939 0.000 -0.087) 3.940 3.398 ( -2.701 0.000 -1.276) 2.987 3.422 ( 1.198 0.000 -2.460) 2.736 4.125 ( 2.081 0.000 0.969) 2.296 4.142 ( -2.081 0.000 -0.253) 2.096 4.312 ( 1.813 0.000 1.760) 2.527 4.343 ( -2.953 0.000 -1.002) 3.119 4.861 ( 1.302 0.000 8.943) 9.037 4.990 ( 0.396 0.000 -2.579) 2.610 5.224 ( -1.561 0.000 2.291) 2.772 5.263 ( -0.022 0.000 -0.062) 0.066 5.445 ( -1.324 0.000 4.918) 5.093 5.488 ( -2.669 0.000 5.267) 5.904 5.523 ( -0.647 0.000 -4.034) 4.086 5.629 ( 2.418 0.000 -5.879) 6.357 5.764 ( 1.450 0.000 8.486) 8.609 5.816 ( -1.133 0.000 8.363) 8.439 5.884 ( -2.057 0.000 -1.320) 2.444 5.988 ( 1.392 0.000 -6.391) 6.541 6.050 ( 0.413 0.000 -0.652) 0.772 6.059 ( -2.146 0.000 -1.991) 2.927 6.175 ( 0.888 0.000 -1.204) 1.496 6.202 ( 2.086 0.000 -2.173) 3.012 6.392 ( -0.101 0.000 0.982) 0.988 6.400 ( -0.118 0.000 -0.071) 0.138 6.516 ( -1.147 0.000 0.421) 1.222 6.540 ( 1.092 0.000 -2.371) 2.610 6.726 ( 0.789 0.000 0.486) 0.927 6.742 ( -1.230 0.000 -0.871) 1.507 7.070 ( -0.660 0.000 4.544) 4.592 7.159 ( 1.126 0.000 -3.292) 3.479 8.040 ( -1.199 0.000 7.645) 7.738 8.081 ( -3.325 0.000 9.172) 9.756 8.207 ( 0.864 0.000 -7.161) 7.213 8.278 ( 3.032 0.000 -8.260) 8.799 11.787 ( 2.411 0.000 0.802) 2.541 11.831 ( -3.339 0.000 -2.430) 4.130 12.636 ( -3.597 0.000 5.750) 6.783 12.685 ( 1.504 0.000 0.778) 1.693 13.036 ( -0.134 0.000 1.504) 1.510 13.111 ( 0.517 0.000 -5.655) 5.679 14.147 ( -2.568 0.000 3.586) 4.410 14.152 ( 2.819 0.000 3.154) 4.230 14.375 ( -1.669 0.000 -2.284) 2.829 14.379 ( 0.541 0.000 -1.993) 2.065 14.765 ( -2.036 0.000 1.061) 2.296 14.779 ( 1.290 0.000 -0.079) 1.292 16.126 ( -2.806 0.000 7.167) 7.697 16.327 ( 7.306 0.000 -10.566) 12.846 17.353 ( -3.777 0.000 3.454) 5.119 17.471 ( 6.336 0.000 -7.865) 10.099 18.402 ( -4.669 0.000 3.506) 5.839 18.552 ( 3.628 0.000 -8.824) 9.541 19.583 ( 0.478 0.000 14.102) 14.110 19.757 ( -0.879 0.000 5.592) 5.660 19.827 ( 0.717 0.000 -6.367) 6.407 19.925 ( -3.152 0.000 -10.658) 11.114 20.226 ( -2.560 0.000 2.758) 3.763 20.279 ( 4.653 0.000 -2.163) 5.132 ======================= Grid point 69 (35/48) ======================= q-point: (-0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.643 ( -11.434 0.000 -7.032) 13.423 0.716 ( -1.374 0.000 9.983) 10.077 0.922 ( -7.022 0.000 -5.211) 8.745 0.928 ( -9.045 0.000 4.404) 10.061 0.986 ( 1.404 0.000 6.652) 6.799 1.021 ( 1.743 0.000 -3.613) 4.011 1.123 ( -3.860 0.000 2.232) 4.459 1.142 ( -5.382 0.000 4.880) 7.265 1.216 ( 0.429 0.000 -2.130) 2.173 1.259 ( -2.052 0.000 6.268) 6.595 1.272 ( -4.051 0.000 -1.912) 4.480 1.324 ( 0.547 0.000 5.034) 5.064 1.383 ( 0.901 0.000 -3.472) 3.587 1.472 ( 1.459 0.000 0.648) 1.597 1.537 ( 2.118 0.000 1.527) 2.611 1.558 ( 2.226 0.000 -7.656) 7.973 1.578 ( 0.567 0.000 1.441) 1.549 1.614 ( 1.366 0.000 -2.270) 2.649 1.689 ( -2.525 0.000 1.238) 2.812 1.758 ( 1.124 0.000 -2.392) 2.643 1.828 ( 0.127 0.000 -2.307) 2.311 1.852 ( 2.610 0.000 3.432) 4.312 1.873 ( 0.164 0.000 2.331) 2.337 1.912 ( -0.043 0.000 -4.410) 4.410 1.960 ( -0.632 0.000 -2.692) 2.765 1.978 ( 0.806 0.000 2.638) 2.758 2.017 ( -3.082 0.000 1.006) 3.242 2.076 ( -1.448 0.000 0.666) 1.594 2.174 ( -0.584 0.000 -0.426) 0.723 2.205 ( -1.151 0.000 -0.623) 1.309 2.236 ( 1.089 0.000 -0.344) 1.142 2.386 ( 4.156 0.000 -5.964) 7.269 2.387 ( -3.184 0.000 -0.122) 3.186 2.405 ( 5.643 0.000 3.282) 6.529 2.494 ( 5.731 0.000 -1.570) 5.942 2.497 ( -1.631 0.000 0.161) 1.639 2.608 ( -0.666 0.000 -0.129) 0.678 2.666 ( 0.810 0.000 3.610) 3.700 2.710 ( 0.342 0.000 3.000) 3.019 2.719 ( -2.719 0.000 -6.191) 6.762 2.770 ( 0.035 0.000 -1.096) 1.097 2.784 ( -0.144 0.000 -2.525) 2.529 2.920 ( 0.832 0.000 1.318) 1.558 2.930 ( -0.037 0.000 -0.789) 0.790 3.004 ( 0.762 0.000 3.704) 3.781 3.078 ( 1.182 0.000 -2.718) 2.963 3.149 ( -2.329 0.000 -0.360) 2.357 3.169 ( 0.017 0.000 -1.822) 1.822 3.216 ( -0.013 0.000 -3.728) 3.728 3.304 ( 2.298 0.000 3.135) 3.887 3.350 ( -2.347 0.000 0.206) 2.356 3.444 ( 1.651 0.000 -0.236) 1.668 4.139 ( 2.502 0.000 -1.008) 2.697 4.194 ( 3.937 0.000 1.476) 4.204 4.294 ( -1.756 0.000 0.436) 1.809 4.384 ( 4.095 0.000 2.477) 4.786 4.904 ( -1.045 0.000 5.923) 6.014 4.937 ( -3.397 0.000 -5.622) 6.569 5.204 ( -1.583 0.000 3.046) 3.433 5.254 ( -0.981 0.000 1.279) 1.612 5.447 ( -1.262 0.000 5.505) 5.648 5.484 ( -0.336 0.000 4.711) 4.723 5.497 ( -0.242 0.000 -2.120) 2.134 5.644 ( 1.749 0.000 -4.992) 5.290 5.826 ( -0.055 0.000 7.936) 7.936 5.835 ( -0.922 0.000 -3.283) 3.410 5.837 ( -1.238 0.000 9.271) 9.354 5.982 ( 1.001 0.000 -5.357) 5.450 6.006 ( -1.777 0.000 -1.849) 2.565 6.048 ( 0.018 0.000 -1.503) 1.503 6.192 ( 1.295 0.000 -0.586) 1.421 6.238 ( 2.674 0.000 -3.868) 4.702 6.399 ( 0.089 0.000 -0.361) 0.372 6.400 ( 0.318 0.000 1.146) 1.190 6.492 ( -1.300 0.000 0.430) 1.369 6.545 ( 0.453 0.000 -1.587) 1.650 6.712 ( -0.997 0.000 -0.613) 1.170 6.738 ( 0.080 0.000 0.602) 0.607 7.102 ( 1.198 0.000 4.067) 4.240 7.197 ( 4.320 0.000 -3.380) 5.485 8.046 ( -2.488 0.000 8.570) 8.923 8.092 ( -0.012 0.000 8.290) 8.290 8.197 ( 1.854 0.000 -6.806) 7.054 8.306 ( 3.723 0.000 -8.272) 9.072 11.788 ( 0.538 0.000 -1.603) 1.691 11.903 ( 7.641 0.000 2.428) 8.017 12.611 ( -1.538 0.000 6.641) 6.816 12.719 ( 1.155 0.000 0.909) 1.469 13.058 ( 1.276 0.000 2.066) 2.428 13.111 ( 2.270 0.000 -5.146) 5.625 14.112 ( -1.774 0.000 1.409) 2.266 14.225 ( 1.409 0.000 4.028) 4.267 14.319 ( -1.591 0.000 -3.765) 4.088 14.361 ( -1.517 0.000 0.874) 1.750 14.745 ( -0.003 0.000 2.355) 2.355 14.820 ( 2.112 0.000 -0.184) 2.120 15.979 ( -14.194 0.000 3.307) 14.574 16.328 ( -2.115 0.000 -16.768) 16.901 17.226 ( -8.810 0.000 3.550) 9.499 17.576 ( 7.782 0.000 -6.908) 10.406 18.394 ( 1.482 0.000 6.795) 6.955 18.620 ( 6.419 0.000 -7.548) 9.909 19.617 ( -3.993 0.000 11.408) 12.086 19.744 ( -4.189 0.000 -10.078) 10.913 19.774 ( -1.418 0.000 9.013) 9.123 19.854 ( 0.686 0.000 -4.850) 4.898 20.197 ( -0.915 0.000 0.866) 1.260 20.341 ( 2.431 0.000 -3.771) 4.487 ======================= Grid point 70 (36/48) ======================= q-point: (-0.17 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.357 ( -11.285 0.000 4.961) 12.327 0.711 ( -4.817 0.000 12.369) 13.274 0.794 ( -6.430 0.000 2.301) 6.829 0.814 ( 0.959 0.000 -9.845) 9.892 0.904 ( -6.985 0.000 0.573) 7.008 0.971 ( -4.102 0.000 -12.467) 13.125 1.058 ( -3.902 0.000 8.162) 9.046 1.145 ( 0.283 0.000 5.597) 5.604 1.154 ( -3.486 0.000 1.969) 4.004 1.212 ( 0.191 0.000 -1.985) 1.994 1.271 ( -1.017 0.000 3.881) 4.012 1.328 ( -2.996 0.000 7.194) 7.793 1.391 ( 0.193 0.000 -3.136) 3.142 1.493 ( 1.879 0.000 -2.166) 2.867 1.561 ( 1.268 0.000 -5.193) 5.346 1.576 ( 0.576 0.000 0.108) 0.586 1.610 ( 0.645 0.000 1.382) 1.525 1.640 ( 1.767 0.000 -1.189) 2.130 1.666 ( 0.928 0.000 2.676) 2.832 1.762 ( 0.771 0.000 -4.552) 4.617 1.839 ( 1.498 0.000 -1.041) 1.824 1.881 ( -0.102 0.000 1.438) 1.441 1.884 ( -1.034 0.000 -4.061) 4.190 1.931 ( 2.397 0.000 3.923) 4.597 1.959 ( 1.433 0.000 1.358) 1.975 1.964 ( -3.498 0.000 1.559) 3.830 1.981 ( -0.523 0.000 0.448) 0.689 2.078 ( 1.516 0.000 0.715) 1.676 2.162 ( 0.419 0.000 -3.030) 3.058 2.185 ( -0.876 0.000 0.902) 1.257 2.248 ( -0.094 0.000 -0.777) 0.783 2.358 ( -1.604 0.000 -4.022) 4.331 2.384 ( 2.693 0.000 0.666) 2.774 2.476 ( 0.318 0.000 -3.744) 3.758 2.531 ( 3.246 0.000 2.250) 3.950 2.540 ( -2.072 0.000 -2.615) 3.336 2.590 ( 0.762 0.000 -2.165) 2.295 2.645 ( -4.008 0.000 1.238) 4.194 2.648 ( -0.655 0.000 -0.436) 0.787 2.738 ( 0.328 0.000 2.453) 2.475 2.776 ( 0.712 0.000 0.303) 0.774 2.819 ( 2.730 0.000 2.253) 3.539 2.923 ( -0.061 0.000 -1.780) 1.781 2.985 ( 5.113 0.000 -1.296) 5.275 3.032 ( -0.083 0.000 3.326) 3.327 3.084 ( 1.269 0.000 -2.253) 2.586 3.119 ( 0.058 0.000 -0.180) 0.189 3.164 ( 0.486 0.000 -2.102) 2.157 3.188 ( -0.208 0.000 -4.171) 4.176 3.311 ( -2.038 0.000 3.282) 3.863 3.327 ( -0.933 0.000 1.522) 1.785 3.456 ( -0.879 0.000 -0.963) 1.304 4.225 ( 5.710 0.000 -1.714) 5.961 4.267 ( -1.042 0.000 2.326) 2.548 4.307 ( 5.513 0.000 2.346) 5.991 4.491 ( 4.218 0.000 2.829) 5.078 4.815 ( -4.724 0.000 -5.840) 7.512 4.877 ( -3.651 0.000 1.876) 4.105 5.202 ( -0.062 0.000 3.406) 3.407 5.244 ( -0.943 0.000 2.651) 2.814 5.444 ( -1.550 0.000 4.301) 4.572 5.490 ( 0.585 0.000 -1.792) 1.885 5.518 ( 1.293 0.000 3.696) 3.915 5.645 ( 0.509 0.000 -3.745) 3.780 5.823 ( -3.473 0.000 7.290) 8.075 5.826 ( 1.531 0.000 -2.692) 3.097 5.863 ( -1.611 0.000 7.658) 7.826 5.954 ( -1.830 0.000 0.886) 2.033 5.994 ( 2.597 0.000 -7.861) 8.279 6.034 ( -0.221 0.000 -3.129) 3.136 6.213 ( 0.208 0.000 0.997) 1.018 6.265 ( 1.993 0.000 -4.183) 4.634 6.401 ( 0.451 0.000 -0.319) 0.552 6.412 ( 0.235 0.000 0.843) 0.875 6.480 ( 0.136 0.000 0.603) 0.618 6.543 ( 0.045 0.000 -1.537) 1.538 6.702 ( 0.336 0.000 -0.416) 0.535 6.736 ( -0.482 0.000 0.069) 0.487 7.148 ( 0.961 0.000 4.501) 4.602 7.275 ( 4.111 0.000 -4.108) 5.812 8.043 ( -2.177 0.000 8.780) 9.046 8.140 ( 0.112 0.000 7.774) 7.774 8.208 ( 2.465 0.000 -6.315) 6.779 8.335 ( 3.164 0.000 -8.522) 9.090 11.832 ( 3.357 0.000 1.517) 3.683 12.066 ( 6.315 0.000 -3.668) 7.303 12.675 ( 5.103 0.000 4.985) 7.134 12.738 ( 0.087 0.000 1.688) 1.691 13.098 ( 1.225 0.000 2.229) 2.544 13.149 ( 3.899 0.000 -4.433) 5.904 14.106 ( 0.748 0.000 1.156) 1.378 14.202 ( -3.739 0.000 2.111) 4.294 14.327 ( 3.892 0.000 -5.248) 6.534 14.331 ( -2.484 0.000 2.785) 3.731 14.799 ( 2.225 0.000 7.342) 7.672 14.887 ( 6.516 0.000 -0.880) 6.575 15.634 ( -17.417 0.000 -2.054) 17.537 15.922 ( -26.469 0.000 -21.749) 34.258 17.237 ( 6.107 0.000 16.703) 17.784 17.701 ( 6.676 0.000 -5.958) 8.948 18.504 ( 4.927 0.000 5.977) 7.745 18.696 ( 4.114 0.000 -7.000) 8.120 19.546 ( -7.425 0.000 7.668) 10.674 19.615 ( -2.836 0.000 -9.280) 9.704 19.785 ( -2.186 0.000 9.621) 9.866 19.868 ( 2.585 0.000 -3.547) 4.389 20.200 ( 0.765 0.000 0.367) 0.849 20.328 ( -1.527 0.000 -3.816) 4.110 ======================= Grid point 71 (37/48) ======================= q-point: ( 0.00 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 4.083 -3.884 11.401) 12.717 0.489 ( -2.389 -3.823 3.311) 5.593 0.691 ( -2.829 -4.835 -1.882) 5.909 0.721 ( 1.800 -2.000 -5.728) 6.329 0.874 ( -3.817 4.629 3.103) 6.754 0.956 ( -3.393 -4.738 2.132) 6.205 1.036 ( 2.974 5.533 0.450) 6.298 1.092 ( -0.950 -0.385 -0.013) 1.025 1.158 ( 0.997 -0.544 1.241) 1.682 1.218 ( -0.463 -1.308 -1.904) 2.355 1.321 ( -2.353 2.134 5.482) 6.336 1.353 ( 0.103 1.105 3.632) 3.798 1.377 ( 1.618 1.863 -1.352) 2.813 1.475 ( -1.110 -2.782 -1.953) 3.576 1.566 ( 2.057 2.086 -1.123) 3.138 1.595 ( 0.888 0.375 -1.875) 2.108 1.616 ( -0.386 1.585 -1.373) 2.132 1.664 ( 1.752 0.250 -0.391) 1.813 1.680 ( 0.149 -1.026 -0.981) 1.427 1.705 ( -0.539 -2.743 -2.855) 3.995 1.853 ( -0.037 -2.558 0.427) 2.594 1.877 ( 1.815 0.503 -1.298) 2.288 1.905 ( -0.189 0.154 0.796) 0.833 1.910 ( -0.820 1.221 0.241) 1.490 1.938 ( -1.296 -0.406 -0.800) 1.576 1.975 ( 0.801 0.347 -1.591) 1.815 2.042 ( -1.778 0.547 0.897) 2.066 2.101 ( 0.584 0.678 -3.627) 3.736 2.144 ( 2.001 0.897 2.635) 3.428 2.198 ( -0.620 -0.702 -0.297) 0.983 2.226 ( 1.382 1.046 4.618) 4.933 2.390 ( 0.775 0.701 -3.728) 3.872 2.434 ( -0.636 -0.269 1.956) 2.075 2.448 ( -1.580 -0.870 -0.267) 1.824 2.522 ( 3.224 2.266 -2.005) 4.421 2.557 ( -1.694 1.953 -0.917) 2.743 2.571 ( 0.379 -1.265 -0.695) 1.492 2.588 ( 0.154 -0.932 -1.055) 1.416 2.635 ( 0.115 -1.107 0.209) 1.132 2.674 ( -0.017 -3.082 -2.906) 4.236 2.760 ( 1.343 -0.766 4.440) 4.702 2.870 ( -2.055 -2.786 -3.531) 4.946 2.932 ( -0.258 -4.185 4.003) 5.797 2.966 ( -0.660 2.888 1.667) 3.400 3.005 ( -0.343 -1.963 -1.243) 2.349 3.070 ( 1.344 -0.617 -3.642) 3.931 3.148 ( -1.876 1.091 0.741) 2.293 3.177 ( 1.156 0.637 -1.783) 2.218 3.239 ( -3.608 -0.436 0.282) 3.645 3.261 ( 5.550 -0.617 -0.977) 5.669 3.419 ( -1.700 6.551 5.141) 8.499 3.502 ( 0.458 3.950 -1.756) 4.346 4.259 ( -2.244 1.600 3.309) 4.306 4.322 ( 2.087 1.642 -2.154) 3.419 4.404 ( 2.243 -3.500 3.599) 5.498 4.467 ( -1.419 -2.636 -1.565) 3.378 4.762 ( -1.297 -0.711 0.305) 1.511 4.768 ( -0.297 -0.706 -0.295) 0.821 5.223 ( -1.157 0.096 2.821) 3.051 5.249 ( 1.078 -0.002 0.918) 1.416 5.451 ( -0.316 1.358 3.420) 3.693 5.510 ( 0.389 0.234 -2.110) 2.158 5.540 ( 0.364 -1.574 2.592) 3.054 5.587 ( -0.585 -2.968 -1.626) 3.435 5.778 ( -3.278 0.280 7.277) 7.986 5.812 ( -3.535 -1.478 10.145) 10.845 5.887 ( 2.200 2.147 -0.869) 3.195 5.954 ( 0.146 0.872 -0.603) 1.070 6.033 ( 1.720 1.947 -6.313) 6.827 6.058 ( 0.734 2.204 -5.497) 5.967 6.217 ( 0.069 0.280 -0.380) 0.477 6.253 ( 0.161 -1.567 -2.487) 2.944 6.421 ( 0.150 1.394 0.202) 1.416 6.429 ( -0.027 1.183 -0.397) 1.248 6.495 ( 1.218 -0.666 0.153) 1.397 6.518 ( -0.186 -1.187 -2.207) 2.513 6.735 ( 0.422 1.630 0.572) 1.778 6.748 ( -0.125 1.795 -0.568) 1.887 7.151 ( -0.792 -1.834 4.309) 4.750 7.226 ( -0.743 -4.328 -2.245) 4.932 8.056 ( -1.846 0.910 8.287) 8.539 8.131 ( -1.428 -2.104 6.208) 6.709 8.288 ( 1.335 4.194 -6.843) 8.136 8.361 ( 1.350 1.120 -8.795) 8.968 11.951 ( 1.496 2.808 2.517) 4.057 12.048 ( -2.464 -1.429 -5.563) 6.250 12.608 ( -1.699 -6.659 3.354) 7.647 12.701 ( 1.812 -6.873 -4.728) 8.537 13.158 ( 0.070 2.457 1.464) 2.861 13.208 ( 1.494 0.285 -3.290) 3.625 14.156 ( -0.467 0.466 0.369) 0.756 14.164 ( 1.594 0.466 -0.286) 1.685 14.295 ( -3.578 2.737 5.420) 7.047 14.405 ( 1.244 1.135 -3.775) 4.133 14.832 ( -0.811 -1.013 6.633) 6.759 15.058 ( 10.085 -7.533 -12.378) 17.654 15.310 ( -9.645 0.332 3.026) 10.114 15.384 ( 0.134 -1.931 -3.260) 3.792 17.492 ( 3.209 1.762 11.577) 12.142 17.685 ( 0.107 -4.244 -5.948) 7.307 18.685 ( -0.353 7.153 3.923) 8.166 18.798 ( 2.574 5.085 -6.436) 8.596 19.392 ( -4.274 -2.722 4.522) 6.791 19.482 ( 3.977 -5.906 -3.244) 7.824 19.908 ( -3.076 7.960 2.396) 8.863 19.978 ( 3.835 4.720 -3.321) 6.929 20.200 ( 1.115 -2.233 1.109) 2.731 20.231 ( -2.931 -2.882 -1.651) 4.430 ======================= Grid point 72 (38/48) ======================= q-point: ( 0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 4.030 -3.743 -4.118) 6.871 0.542 ( 4.636 -3.916 8.179) 10.184 0.761 ( 9.954 4.680 -1.629) 11.119 0.793 ( -0.634 4.628 8.204) 9.441 0.872 ( 5.475 -2.753 -1.318) 6.269 0.939 ( 1.413 -4.797 4.158) 6.504 1.094 ( 0.744 -2.033 0.202) 2.174 1.115 ( 2.229 3.153 2.949) 4.859 1.198 ( 1.933 -0.494 1.896) 2.752 1.216 ( 1.293 -3.807 -2.167) 4.567 1.307 ( -0.043 -1.341 1.160) 1.774 1.370 ( 0.046 -2.574 2.381) 3.507 1.397 ( -0.019 2.769 -0.408) 2.799 1.470 ( 0.508 -0.452 1.844) 1.966 1.553 ( -1.267 0.680 -4.056) 4.303 1.598 ( 0.161 -0.066 -1.715) 1.724 1.608 ( -0.887 1.952 -2.158) 3.042 1.652 ( 1.433 2.158 -2.443) 3.561 1.679 ( -0.141 -0.515 -2.624) 2.678 1.728 ( 1.416 -0.331 -0.859) 1.689 1.849 ( 0.770 -0.975 -0.895) 1.531 1.871 ( -1.507 1.262 1.416) 2.422 1.908 ( 0.361 1.708 -0.577) 1.839 1.920 ( -0.125 -1.755 -0.777) 1.923 1.945 ( 0.790 0.939 2.266) 2.577 1.966 ( -0.673 -1.259 -2.181) 2.607 2.025 ( 0.888 1.378 1.909) 2.516 2.090 ( -0.431 0.165 -2.060) 2.111 2.176 ( -0.064 0.913 -2.625) 2.780 2.181 ( 0.310 -2.215 1.653) 2.781 2.269 ( 0.004 1.948 4.990) 5.357 2.335 ( -2.251 0.508 -6.656) 7.044 2.416 ( -1.537 3.143 -1.315) 3.737 2.440 ( -0.354 -0.362 2.675) 2.723 2.480 ( -2.200 -0.775 -1.228) 2.636 2.554 ( -1.533 -1.396 -1.011) 2.307 2.559 ( -0.013 -0.566 -0.525) 0.772 2.630 ( -0.294 -1.874 0.113) 1.900 2.664 ( 3.627 -1.651 -2.352) 4.628 2.686 ( 3.398 -0.531 -0.434) 3.466 2.798 ( -1.214 -2.247 -2.547) 3.607 2.827 ( 0.326 -1.031 4.155) 4.294 2.928 ( -1.415 -1.350 1.787) 2.649 2.959 ( -3.117 -3.128 -0.818) 4.491 2.985 ( 1.328 0.789 4.488) 4.746 3.039 ( -3.180 3.270 -3.375) 5.674 3.105 ( -1.727 -1.465 -0.655) 2.357 3.175 ( -0.666 2.340 -0.078) 2.434 3.199 ( 1.429 0.638 -0.989) 1.851 3.312 ( -0.234 -2.164 -1.013) 2.401 3.430 ( 0.082 5.318 3.332) 6.276 3.542 ( 3.143 3.353 -0.568) 4.631 4.200 ( -4.371 1.660 2.061) 5.109 4.288 ( -4.848 -0.750 -0.910) 4.990 4.337 ( -3.366 -0.263 -0.913) 3.497 4.484 ( -1.516 -3.569 -0.335) 3.893 4.716 ( 0.435 2.571 2.989) 3.967 4.859 ( 4.782 -1.784 0.355) 5.116 5.215 ( -0.664 -0.160 2.116) 2.224 5.271 ( 0.472 -0.056 0.033) 0.477 5.463 ( -0.191 1.564 2.854) 3.260 5.515 ( 0.329 -1.473 -0.910) 1.762 5.550 ( -0.734 -1.685 2.853) 3.394 5.570 ( -0.184 -2.645 -1.485) 3.038 5.748 ( -2.655 1.884 5.605) 6.482 5.796 ( -2.732 -0.209 9.763) 10.140 5.926 ( 1.237 1.726 0.529) 2.189 5.958 ( 1.247 0.665 -3.037) 3.350 6.028 ( 0.865 1.184 -3.239) 3.556 6.070 ( 2.569 0.295 -5.220) 5.825 6.207 ( -0.015 1.671 -1.266) 2.096 6.244 ( -0.587 -0.705 -0.812) 1.225 6.413 ( -0.651 1.123 0.314) 1.336 6.433 ( 0.120 1.769 -0.514) 1.846 6.504 ( 0.465 -1.414 -2.928) 3.284 6.515 ( 0.491 -1.147 0.126) 1.254 6.726 ( -0.581 1.638 -0.357) 1.774 6.755 ( 0.442 0.826 -0.178) 0.953 7.133 ( -3.126 -1.513 4.521) 5.701 7.187 ( -1.753 -2.919 -1.378) 3.674 8.055 ( -2.410 0.931 8.030) 8.436 8.121 ( -2.703 -1.671 6.808) 7.513 8.267 ( 0.098 2.687 -5.857) 6.445 8.324 ( -0.305 0.352 -8.168) 8.181 11.917 ( -4.429 0.954 -1.718) 4.846 12.009 ( -0.365 1.689 1.789) 2.488 12.563 ( -3.760 -6.768 3.223) 8.386 12.684 ( -0.888 -6.315 -3.482) 7.266 13.128 ( -2.841 2.174 0.574) 3.623 13.186 ( -1.700 -0.385 -3.454) 3.869 14.133 ( -1.468 2.095 -0.281) 2.573 14.220 ( 4.285 -0.417 -0.803) 4.380 14.246 ( -3.504 3.580 5.646) 7.548 14.405 ( 0.957 -0.703 -2.050) 2.369 14.819 ( -2.178 0.333 2.687) 3.475 14.945 ( -6.184 -3.202 -5.880) 9.115 15.564 ( 18.256 -3.689 -1.407) 18.678 15.635 ( 23.179 -3.823 1.777) 23.559 17.493 ( -7.473 0.223 5.907) 9.529 17.592 ( -3.774 -0.983 -8.561) 9.407 18.646 ( -4.645 5.972 2.814) 8.072 18.769 ( -1.359 5.912 -7.691) 9.795 19.375 ( 0.095 -1.240 5.577) 5.714 19.581 ( 6.106 -7.304 -3.556) 10.163 19.867 ( -1.666 5.693 2.329) 6.373 20.033 ( 2.428 2.639 -5.426) 6.504 20.168 ( -0.657 -1.652 1.379) 2.250 20.256 ( 1.853 -0.703 1.612) 2.555 ======================= Grid point 73 (39/48) ======================= q-point: ( 0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 8.574 1.756 -1.709) 8.917 0.726 ( 7.412 -0.272 9.640) 12.163 0.838 ( 2.202 4.103 6.643) 8.112 0.918 ( 2.804 -1.333 -0.928) 3.240 0.964 ( 6.827 5.988 -0.957) 9.131 1.036 ( 1.018 -0.267 4.134) 4.266 1.120 ( 1.632 -4.892 4.359) 6.753 1.155 ( -0.241 0.159 3.455) 3.467 1.224 ( 0.335 -4.128 1.736) 4.490 1.240 ( 1.643 -2.401 -0.637) 2.978 1.348 ( 3.211 -1.456 -1.674) 3.903 1.371 ( -0.301 -1.515 0.420) 1.600 1.393 ( -0.866 0.799 2.437) 2.707 1.474 ( -0.864 1.629 -1.726) 2.526 1.512 ( 0.223 -0.691 -5.414) 5.463 1.575 ( -1.116 0.817 -0.900) 1.650 1.589 ( 0.301 -0.767 -3.194) 3.299 1.648 ( 0.209 1.565 -4.495) 4.764 1.686 ( -0.140 2.824 0.574) 2.885 1.714 ( -0.934 -1.683 -2.959) 3.530 1.837 ( -1.853 2.799 -0.241) 3.366 1.862 ( -0.556 -0.581 1.013) 1.293 1.887 ( -0.950 -1.337 -0.899) 1.870 1.918 ( 0.376 1.151 -0.596) 1.349 1.952 ( 1.082 -0.227 1.967) 2.257 1.987 ( 1.215 -1.426 0.390) 1.914 2.047 ( -0.871 -1.496 -0.540) 1.813 2.118 ( 3.784 2.394 3.539) 5.708 2.140 ( -3.410 -1.103 -5.564) 6.618 2.169 ( 0.439 0.231 -0.509) 0.711 2.267 ( 0.065 -0.938 -2.675) 2.835 2.308 ( -0.283 3.389 2.531) 4.239 2.370 ( -3.247 -1.007 -0.283) 3.411 2.401 ( -0.452 -1.005 -0.084) 1.105 2.474 ( -4.318 0.355 -1.896) 4.729 2.497 ( 2.080 -2.268 -0.442) 3.109 2.566 ( 0.386 0.232 -0.401) 0.603 2.622 ( -0.930 -0.921 1.006) 1.651 2.706 ( 1.728 -1.468 -0.159) 2.273 2.722 ( 0.582 -3.972 -2.998) 5.011 2.799 ( 2.207 1.889 -1.392) 3.221 2.833 ( -0.393 -1.780 2.458) 3.060 2.894 ( -3.445 1.497 0.051) 3.756 2.923 ( 0.070 -2.446 1.229) 2.738 2.969 ( -1.804 5.175 0.944) 5.561 3.051 ( 0.127 -2.220 -1.200) 2.527 3.074 ( 1.567 -2.164 1.789) 3.215 3.189 ( 1.061 1.500 0.283) 1.859 3.220 ( 0.613 0.523 -0.191) 0.828 3.280 ( -1.563 -1.853 -0.401) 2.457 3.449 ( 0.059 5.739 3.285) 6.613 3.579 ( 0.601 4.007 -1.496) 4.319 4.131 ( -2.441 1.254 0.473) 2.784 4.186 ( -4.067 -1.664 0.105) 4.395 4.284 ( -1.426 0.089 -0.515) 1.518 4.408 ( -3.872 -2.060 -1.792) 4.738 4.786 ( 2.813 1.798 5.728) 6.630 4.937 ( 2.597 -2.347 -0.195) 3.505 5.220 ( -0.022 -0.292 1.581) 1.607 5.266 ( -0.733 -0.328 -0.281) 0.851 5.468 ( -1.296 1.362 4.364) 4.752 5.504 ( -1.385 -0.715 1.588) 2.225 5.542 ( -1.014 -1.703 1.594) 2.543 5.573 ( 1.400 -1.888 -2.439) 3.387 5.737 ( -1.050 1.874 5.187) 5.614 5.803 ( -1.487 -0.096 8.642) 8.770 5.926 ( -0.652 1.025 -1.366) 1.828 5.977 ( 1.969 -0.616 -4.527) 4.975 6.036 ( 0.684 0.770 -0.631) 1.208 6.095 ( 2.281 -0.073 -4.657) 5.186 6.212 ( 0.269 2.526 -0.983) 2.724 6.220 ( -0.510 1.178 -0.827) 1.527 6.402 ( -0.701 1.065 0.854) 1.535 6.425 ( -0.255 1.763 -1.057) 2.071 6.511 ( 0.822 -1.417 -1.454) 2.190 6.519 ( 0.486 -1.031 -0.919) 1.464 6.722 ( 0.374 1.143 -0.247) 1.227 6.758 ( -0.064 -0.048 -0.548) 0.554 7.086 ( -3.254 -0.414 4.172) 5.307 7.148 ( -1.187 -2.261 -1.642) 3.036 8.045 ( -2.390 0.868 7.698) 8.107 8.098 ( -3.352 -1.039 8.169) 8.891 8.241 ( 0.564 1.287 -6.370) 6.524 8.279 ( 0.419 -0.236 -8.006) 8.020 11.840 ( -1.971 3.981 -0.028) 4.442 11.987 ( -2.636 3.857 0.580) 4.707 12.513 ( -2.456 -7.700 3.768) 8.917 12.646 ( -0.915 -6.174 -3.335) 7.076 13.073 ( -2.590 1.329 0.771) 3.012 13.124 ( -2.047 -1.355 -3.321) 4.130 14.114 ( -0.238 1.581 0.973) 1.871 14.207 ( -2.796 1.072 3.125) 4.328 14.323 ( 5.249 0.905 -0.199) 5.330 14.426 ( 1.401 0.783 -1.320) 2.078 14.779 ( -2.646 -0.490 0.293) 2.707 14.821 ( -3.248 -0.471 -3.296) 4.652 15.918 ( 13.563 -2.765 6.465) 15.277 16.111 ( 20.288 -4.288 -1.576) 20.796 17.326 ( -8.221 -0.425 1.613) 8.389 17.484 ( -2.602 -1.498 -7.902) 8.453 18.556 ( -4.701 6.306 2.714) 8.321 18.696 ( -1.208 6.085 -8.184) 10.270 19.439 ( 2.277 -1.945 7.693) 8.255 19.652 ( 2.188 -7.335 -2.121) 7.943 19.863 ( 0.339 3.175 -0.270) 3.204 19.996 ( -2.158 -1.821 -5.481) 6.166 20.221 ( 4.030 2.320 0.265) 4.658 20.285 ( -0.152 1.204 2.117) 2.441 ======================= Grid point 74 (40/48) ======================= q-point: (-0.50 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.734 ( 1.517 4.195 3.577) 5.718 0.823 ( -4.296 -2.052 -0.803) 4.828 0.918 ( 3.243 3.446 10.808) 11.798 0.934 ( -1.444 1.381 3.784) 4.279 1.048 ( 1.624 -1.365 -0.957) 2.327 1.096 ( 0.395 2.309 6.796) 7.188 1.113 ( -0.621 0.934 -1.275) 1.698 1.179 ( 1.437 -2.039 1.058) 2.709 1.247 ( -2.788 -1.154 1.641) 3.434 1.264 ( 1.883 -0.482 -1.942) 2.748 1.352 ( -2.098 2.680 -0.089) 3.405 1.371 ( -0.949 1.306 1.534) 2.227 1.378 ( 0.476 -0.535 -0.741) 1.030 1.446 ( 0.188 1.099 -1.660) 2.000 1.513 ( 1.112 -1.454 -1.878) 2.623 1.546 ( -1.078 -0.419 -2.353) 2.622 1.575 ( -0.163 0.090 -2.570) 2.577 1.635 ( 0.979 1.425 -5.681) 5.938 1.660 ( -0.455 -2.312 0.813) 2.493 1.705 ( 0.672 -0.157 -1.661) 1.799 1.807 ( -0.013 -0.929 0.552) 1.081 1.843 ( -1.074 0.053 -1.267) 1.662 1.893 ( -0.073 -1.232 2.564) 2.846 1.936 ( 1.000 2.726 -0.467) 2.941 1.954 ( -1.140 -1.002 1.203) 1.936 2.004 ( 0.028 -1.488 -1.435) 2.067 2.034 ( -0.086 -1.446 -1.612) 2.167 2.055 ( -0.795 -2.087 -1.895) 2.928 2.183 ( 0.797 0.152 2.326) 2.463 2.193 ( -0.825 0.682 3.028) 3.212 2.241 ( -0.706 -0.224 -1.855) 1.997 2.319 ( 2.020 2.365 -3.804) 4.914 2.330 ( 0.126 -1.739 2.539) 3.080 2.404 ( 0.020 1.469 -1.173) 1.880 2.448 ( 1.963 -0.908 0.598) 2.244 2.496 ( -1.906 -1.323 -3.570) 4.257 2.583 ( 2.015 -1.555 1.114) 2.778 2.608 ( 0.175 -1.217 -0.961) 1.560 2.710 ( -0.651 -1.009 0.448) 1.282 2.738 ( 0.540 -2.708 -1.122) 2.981 2.804 ( -0.553 1.730 0.829) 1.997 2.836 ( -0.845 2.374 -1.376) 2.871 2.887 ( 3.069 -2.397 3.023) 4.930 2.911 ( -2.836 -0.128 1.531) 3.225 2.973 ( 2.110 -0.665 -1.743) 2.817 2.995 ( -1.318 -0.089 -3.209) 3.470 3.163 ( 1.605 -3.441 2.161) 4.368 3.178 ( -0.951 -3.328 2.234) 4.120 3.226 ( 0.234 3.018 -0.674) 3.102 3.266 ( 0.484 1.234 -2.107) 2.489 3.464 ( -0.727 6.854 4.918) 8.467 3.561 ( -0.536 6.458 -2.971) 7.129 4.121 ( 1.138 -0.187 0.547) 1.276 4.130 ( -1.445 -0.790 0.003) 1.647 4.287 ( 1.522 -1.582 1.451) 2.632 4.330 ( -2.644 -1.490 -2.026) 3.649 4.863 ( 1.234 0.464 6.309) 6.445 4.955 ( -0.262 -2.801 -1.958) 3.428 5.220 ( -0.991 -0.132 1.877) 2.127 5.251 ( -0.388 -1.061 -0.254) 1.158 5.455 ( -2.495 0.588 6.524) 7.009 5.490 ( -1.154 0.639 3.116) 3.384 5.533 ( 0.172 0.193 -1.181) 1.209 5.593 ( 1.828 -1.902 -3.187) 4.137 5.759 ( -0.163 0.005 7.285) 7.287 5.815 ( -1.800 -0.939 7.868) 8.126 5.896 ( -0.993 1.463 -2.886) 3.384 5.981 ( 0.963 -1.087 -4.703) 4.922 6.041 ( -0.085 1.689 -0.484) 1.759 6.112 ( 1.768 0.614 -5.090) 5.423 6.186 ( -1.400 2.178 1.305) 2.899 6.240 ( 1.999 1.662 -2.893) 3.889 6.397 ( -0.214 1.010 0.974) 1.420 6.419 ( 0.254 1.714 -1.128) 2.067 6.506 ( -0.765 -0.946 0.421) 1.287 6.532 ( 1.076 -0.834 -2.245) 2.625 6.735 ( 0.675 0.638 0.191) 0.948 6.744 ( -0.946 0.216 -0.590) 1.135 7.065 ( -0.585 -0.161 3.647) 3.698 7.131 ( 0.806 -2.242 -2.221) 3.258 8.045 ( -1.542 0.509 7.722) 7.891 8.075 ( -2.978 -0.509 8.519) 9.039 8.223 ( 1.405 1.315 -7.002) 7.262 8.273 ( 3.019 -0.510 -7.930) 8.500 11.853 ( 2.656 5.752 2.627) 6.859 11.922 ( -2.375 6.696 -2.952) 7.694 12.504 ( -1.165 -8.033 5.386) 9.742 12.623 ( 0.894 -7.210 -4.306) 8.446 13.038 ( -1.355 0.434 1.880) 2.358 13.090 ( 0.578 -1.481 -2.991) 3.387 14.134 ( 0.629 -0.090 2.897) 2.966 14.166 ( -1.581 -0.056 0.870) 1.805 14.397 ( 1.691 2.496 0.337) 3.034 14.424 ( -1.191 2.716 -1.641) 3.389 14.738 ( -1.375 -1.316 0.959) 2.131 14.774 ( -0.187 -1.259 -2.040) 2.404 16.126 ( 1.570 1.863 9.175) 9.493 16.346 ( 5.324 -1.171 -10.019) 11.406 17.245 ( -2.340 -4.924 6.214) 8.266 17.401 ( -0.251 -6.328 -9.131) 11.112 18.510 ( -1.424 8.628 3.897) 9.574 18.651 ( 1.515 5.944 -8.411) 10.410 19.517 ( 0.440 -3.997 8.872) 9.740 19.649 ( -1.729 -7.436 -1.683) 7.817 19.872 ( 1.022 2.410 -0.747) 2.722 19.926 ( -1.186 -0.111 -4.975) 5.116 20.270 ( -2.114 2.870 1.468) 3.855 20.300 ( 3.539 1.393 -1.247) 4.002 ======================= Grid point 75 (41/48) ======================= q-point: (-0.33 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.629 ( -9.871 0.012 -3.254) 10.394 0.718 ( -7.845 -2.833 7.857) 11.458 0.885 ( -7.536 2.418 6.691) 10.364 0.963 ( -3.958 1.445 -3.305) 5.355 1.024 ( 0.766 2.541 -1.175) 2.902 1.063 ( -3.363 1.711 -1.303) 3.992 1.109 ( -4.802 -0.698 2.922) 5.665 1.141 ( -0.799 -1.401 0.344) 1.649 1.214 ( -0.667 -0.361 2.241) 2.366 1.283 ( -2.024 -0.400 2.423) 3.183 1.300 ( -1.269 4.496 0.831) 4.745 1.353 ( -0.559 1.778 0.273) 1.884 1.401 ( -0.590 2.390 -0.755) 2.575 1.448 ( 0.737 -1.099 0.167) 1.334 1.521 ( 1.213 -0.986 -0.600) 1.675 1.551 ( 1.781 -0.958 -4.622) 5.045 1.568 ( 0.974 -1.007 2.183) 2.594 1.631 ( 1.247 0.761 -3.312) 3.620 1.670 ( 0.956 -3.350 -0.705) 3.554 1.719 ( 0.699 1.163 -1.038) 1.708 1.825 ( 0.397 -1.325 0.547) 1.487 1.840 ( 1.395 -1.036 0.882) 1.948 1.897 ( 1.130 1.876 -0.280) 2.208 1.954 ( -0.319 2.345 -0.415) 2.402 1.969 ( 1.999 -0.027 2.328) 3.069 1.995 ( 0.601 1.445 0.140) 1.571 1.996 ( -2.706 -1.374 -1.577) 3.420 2.043 ( -0.578 -2.392 -0.225) 2.471 2.176 ( -0.267 -0.716 0.031) 0.765 2.184 ( -1.923 -0.894 1.667) 2.697 2.252 ( 0.639 1.937 -2.520) 3.242 2.326 ( 1.329 -2.587 -0.986) 3.071 2.380 ( -1.074 -2.504 2.574) 3.748 2.401 ( 2.836 0.394 -0.033) 2.863 2.475 ( 4.052 -0.086 -1.463) 4.308 2.490 ( 1.044 -2.089 -2.580) 3.480 2.600 ( -0.085 -0.697 -3.177) 3.253 2.635 ( 1.017 -1.093 -0.347) 1.533 2.678 ( -2.225 -1.777 0.941) 2.998 2.715 ( -1.436 -2.176 -1.283) 2.905 2.804 ( -2.017 3.398 -1.042) 4.087 2.826 ( 1.384 2.491 1.864) 3.405 2.884 ( 0.743 -0.525 1.228) 1.528 2.961 ( 1.036 -3.247 -1.812) 3.860 2.975 ( 1.642 -1.950 1.759) 3.098 3.025 ( 3.649 1.813 -1.787) 4.449 3.106 ( -2.965 -2.791 -0.157) 4.075 3.211 ( -1.336 2.858 0.039) 3.155 3.229 ( 0.128 -0.937 0.953) 1.343 3.267 ( 1.107 -1.123 -2.483) 2.941 3.464 ( -1.859 7.350 4.875) 9.013 3.545 ( 0.045 5.727 -1.578) 5.941 4.140 ( 2.727 0.204 -0.130) 2.738 4.174 ( 3.481 -1.421 1.251) 3.962 4.288 ( -0.643 -0.380 -0.684) 1.013 4.354 ( 3.698 -2.653 2.655) 5.269 4.875 ( -2.529 -1.370 1.146) 3.096 4.918 ( -2.143 -1.864 -0.895) 2.978 5.209 ( -0.779 0.579 2.185) 2.391 5.247 ( -0.496 -0.599 1.600) 1.779 5.444 ( -1.543 0.368 4.988) 5.234 5.488 ( -0.476 -0.013 3.763) 3.793 5.535 ( 0.308 2.203 -1.085) 2.475 5.608 ( 1.050 -2.208 -2.845) 3.752 5.795 ( -0.671 -1.774 8.683) 8.887 5.810 ( -2.108 -1.706 6.186) 6.754 5.868 ( -0.595 2.208 -1.211) 2.588 5.973 ( 0.506 -1.162 -3.959) 4.156 6.030 ( -0.131 2.678 -1.964) 3.324 6.109 ( 0.537 2.413 -4.935) 5.520 6.180 ( 0.391 0.443 0.454) 0.745 6.261 ( 1.517 0.366 -2.849) 3.248 6.406 ( 0.636 1.102 0.679) 1.442 6.419 ( 0.124 1.927 -0.748) 2.071 6.489 ( -0.865 -0.563 -0.003) 1.032 6.535 ( 0.314 -1.017 -1.782) 2.076 6.721 ( -0.741 0.907 -0.225) 1.193 6.748 ( 0.387 0.573 0.279) 0.746 7.091 ( 1.051 -0.589 3.067) 3.295 7.164 ( 3.361 -2.682 -2.197) 4.829 8.049 ( -2.256 0.358 8.156) 8.470 8.081 ( -0.538 -0.834 7.638) 7.702 8.236 ( 3.408 2.786 -7.173) 8.416 8.309 ( 4.382 -0.048 -8.167) 9.268 11.882 ( 0.436 7.351 -3.404) 8.112 11.965 ( 6.201 4.876 2.379) 8.239 12.515 ( 0.001 -6.260 5.171) 8.119 12.639 ( 2.491 -7.590 -3.944) 8.909 13.045 ( 1.132 0.423 2.227) 2.534 13.115 ( 2.823 -0.732 -1.780) 3.417 14.120 ( -1.320 0.840 1.088) 1.906 14.193 ( 1.143 -2.166 2.927) 3.816 14.368 ( -2.198 3.395 -3.157) 5.131 14.397 ( -1.866 2.473 1.162) 3.308 14.730 ( 0.342 -0.817 2.752) 2.891 14.796 ( 2.421 -2.113 -0.499) 3.252 16.006 ( -15.509 2.710 0.510) 15.752 16.264 ( -8.410 -5.776 -14.839) 18.008 17.201 ( -3.045 0.025 6.991) 7.625 17.466 ( 8.061 -8.447 -1.711) 11.801 18.535 ( 1.852 10.140 4.213) 11.136 18.679 ( 4.718 4.150 -6.633) 9.137 19.531 ( -3.383 -5.759 7.821) 10.285 19.567 ( -4.457 -7.817 -2.715) 9.399 19.893 ( 1.182 3.097 -0.909) 3.437 19.922 ( 2.148 3.946 -1.397) 4.705 20.223 ( -2.555 2.744 0.254) 3.757 20.340 ( 1.028 -0.550 -2.554) 2.808 ======================= Grid point 76 (42/48) ======================= q-point: (-0.17 0.25 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.408 ( -8.837 3.056 -0.027) 9.350 0.577 ( -8.505 -7.180 7.270) 13.294 0.722 ( -6.001 -0.599 0.693) 6.071 0.906 ( -1.066 1.372 -1.598) 2.360 0.915 ( -10.813 -1.810 -0.325) 10.968 0.996 ( 0.491 1.932 -5.637) 5.979 1.047 ( -4.086 -0.356 4.114) 5.809 1.131 ( -0.744 -2.168 1.866) 2.956 1.178 ( -5.287 3.847 0.080) 6.539 1.229 ( 0.043 -0.004 1.214) 1.215 1.332 ( -0.733 4.257 4.040) 5.914 1.345 ( 0.416 -0.259 0.946) 1.065 1.364 ( -1.437 1.447 0.266) 2.057 1.503 ( 3.322 0.755 1.259) 3.632 1.512 ( -0.410 -2.561 -3.599) 4.436 1.575 ( 1.861 -0.915 -2.294) 3.093 1.613 ( 1.911 -1.011 0.902) 2.342 1.639 ( 0.040 1.128 -1.624) 1.978 1.686 ( 0.648 0.480 0.629) 1.023 1.719 ( 0.465 -1.971 -2.746) 3.412 1.839 ( 0.263 -2.557 -0.318) 2.590 1.869 ( 0.768 -1.091 1.431) 1.956 1.911 ( 0.280 2.430 -2.729) 3.664 1.921 ( -1.662 1.124 -0.347) 2.037 1.957 ( 0.481 -0.126 -0.703) 0.861 2.000 ( -1.815 2.009 -0.866) 2.842 2.035 ( 1.838 2.741 3.497) 4.809 2.071 ( 2.884 -0.279 3.598) 4.620 2.129 ( -1.994 -0.502 -3.607) 4.152 2.175 ( 0.173 -0.091 1.604) 1.616 2.224 ( -0.475 -1.873 -1.812) 2.649 2.367 ( 0.777 -2.016 0.516) 2.222 2.419 ( 4.823 0.970 0.782) 4.981 2.438 ( -0.478 -0.247 0.555) 0.773 2.499 ( 0.593 -1.515 -1.069) 1.947 2.544 ( 2.667 -3.321 -3.088) 5.261 2.575 ( -0.029 1.294 -0.877) 1.564 2.631 ( -0.388 -1.298 -1.355) 1.916 2.637 ( -2.449 -0.616 0.822) 2.656 2.689 ( -0.594 -1.879 -0.620) 2.066 2.757 ( -1.764 2.078 -0.409) 2.757 2.875 ( 1.958 0.152 2.081) 2.861 2.928 ( 1.354 -2.499 1.682) 3.302 2.966 ( -1.285 0.167 0.010) 1.296 2.992 ( 2.056 -3.296 -2.325) 4.527 3.065 ( -0.260 -1.959 -1.488) 2.474 3.113 ( 5.307 2.997 -1.233) 6.219 3.180 ( -1.541 1.876 0.138) 2.431 3.205 ( -0.756 0.826 -1.792) 2.113 3.278 ( -0.395 -1.651 1.173) 2.063 3.443 ( -2.470 6.639 4.290) 8.282 3.527 ( -1.316 3.975 -1.099) 4.329 4.228 ( 4.805 0.279 0.136) 4.815 4.261 ( 3.332 -0.792 1.378) 3.692 4.305 ( 2.886 0.672 1.532) 3.336 4.449 ( 3.569 -3.629 2.548) 5.692 4.794 ( -3.588 -0.869 -3.758) 5.268 4.855 ( -4.317 -2.079 1.290) 4.962 5.215 ( 0.294 1.053 1.962) 2.246 5.242 ( -1.039 -0.097 2.755) 2.946 5.443 ( -0.741 0.655 3.625) 3.758 5.512 ( 0.705 -0.717 2.972) 3.138 5.526 ( -0.566 1.997 -1.170) 2.383 5.605 ( -0.093 -2.762 -1.877) 3.341 5.799 ( -2.453 -1.262 6.997) 7.521 5.817 ( -1.787 -2.269 9.149) 9.594 5.861 ( 0.607 2.147 -0.968) 2.432 5.961 ( -0.203 -0.411 -1.604) 1.669 6.025 ( 1.573 2.681 -5.125) 5.994 6.086 ( -0.160 3.073 -5.131) 5.983 6.201 ( 1.413 -0.752 -0.620) 1.716 6.266 ( 0.248 -0.694 -2.551) 2.655 6.416 ( 0.025 1.779 -0.224) 1.793 6.425 ( 0.778 1.352 0.221) 1.576 6.478 ( 0.092 -0.425 -0.137) 0.456 6.529 ( 0.043 -1.276 -1.614) 2.058 6.718 ( 0.492 1.535 0.256) 1.632 6.753 ( 0.038 1.144 -0.035) 1.145 7.128 ( 0.807 -1.223 3.348) 3.655 7.221 ( 2.620 -4.167 -2.453) 5.499 8.049 ( -1.874 0.703 8.223) 8.463 8.113 ( -0.266 -1.833 6.761) 7.010 8.275 ( 3.645 4.329 -7.566) 9.448 8.353 ( 3.851 0.969 -8.731) 9.591 11.901 ( 2.381 5.728 -1.218) 6.322 12.073 ( 3.004 0.222 -2.611) 3.986 12.574 ( 2.711 -5.519 4.336) 7.524 12.670 ( 2.615 -6.653 -3.974) 8.178 13.105 ( 3.246 1.507 2.104) 4.151 13.171 ( 3.072 0.364 -1.575) 3.471 14.122 ( 1.000 1.443 1.248) 2.154 14.191 ( -2.408 -0.943 1.825) 3.165 14.335 ( -1.886 1.397 0.514) 2.403 14.372 ( 1.982 1.774 -2.111) 3.396 14.783 ( 1.811 -0.537 5.957) 6.250 14.872 ( 6.500 -1.650 -1.309) 6.833 15.615 ( -18.390 -0.721 -4.147) 18.866 15.805 ( -26.100 -8.108 -13.682) 30.564 17.300 ( 6.438 5.324 13.732) 16.074 17.625 ( 7.195 -6.651 -2.297) 10.064 18.621 ( 3.573 8.936 4.754) 10.734 18.748 ( 4.784 3.644 -5.752) 8.321 19.473 ( -5.028 -5.268 5.078) 8.878 19.480 ( -2.368 -6.666 -2.137) 7.390 19.918 ( 1.627 4.533 -0.799) 4.882 19.952 ( 0.410 7.300 -0.275) 7.316 20.185 ( -0.699 -0.550 -0.189) 0.909 20.309 ( -2.456 -2.040 -2.930) 4.333 ======================= Grid point 77 (43/48) ======================= q-point: ( 0.00 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.374 ( -1.722 -4.785 0.854) 5.157 0.374 ( -1.722 4.785 0.854) 5.157 0.682 ( 1.016 -2.870 0.542) 3.092 0.682 ( 1.016 2.870 0.542) 3.092 0.894 ( -1.380 -0.565 0.128) 1.497 0.894 ( -1.380 0.565 0.128) 1.497 1.101 ( -1.107 -0.805 2.970) 3.270 1.101 ( -1.107 0.805 2.970) 3.270 1.192 ( 0.236 -1.739 -2.281) 2.878 1.192 ( 0.236 1.739 -2.281) 2.878 1.338 ( -4.070 -1.333 3.960) 5.833 1.338 ( -4.070 1.333 3.960) 5.833 1.428 ( 0.662 -1.616 -0.093) 1.749 1.428 ( 0.662 1.616 -0.093) 1.749 1.582 ( 1.733 -1.113 0.693) 2.172 1.582 ( 1.733 1.113 0.693) 2.172 1.645 ( 0.323 -1.535 -1.973) 2.520 1.645 ( 0.323 1.535 -1.973) 2.520 1.721 ( 1.866 -2.209 0.479) 2.931 1.721 ( 1.866 2.209 0.479) 2.931 1.809 ( 0.720 -3.415 -4.068) 5.360 1.809 ( 0.720 3.415 -4.068) 5.360 1.925 ( -0.296 -1.141 -0.404) 1.246 1.925 ( -0.296 1.141 -0.404) 1.246 1.955 ( -0.242 -2.150 -1.635) 2.712 1.955 ( -0.242 2.150 -1.635) 2.712 2.084 ( -0.730 -2.823 1.241) 3.168 2.084 ( -0.730 2.823 1.241) 3.168 2.170 ( 0.391 -1.847 -3.470) 3.950 2.170 ( 0.391 1.847 -3.470) 3.950 2.313 ( 1.324 -5.533 7.485) 9.402 2.313 ( 1.324 5.533 7.485) 9.402 2.434 ( 0.129 -1.030 0.359) 1.098 2.434 ( 0.129 1.030 0.359) 1.098 2.556 ( -0.366 -1.055 -1.653) 1.995 2.556 ( -0.366 1.055 -1.653) 1.995 2.584 ( 0.030 -1.055 -2.476) 2.691 2.584 ( 0.030 1.055 -2.476) 2.691 2.633 ( 1.232 -1.080 -1.941) 2.539 2.633 ( 1.232 1.080 -1.941) 2.539 2.784 ( -1.214 -2.988 1.047) 3.391 2.784 ( -1.214 2.988 1.047) 3.391 2.922 ( 0.034 -2.086 -0.898) 2.271 2.922 ( 0.034 2.086 -0.898) 2.271 3.040 ( -0.062 -2.268 0.991) 2.476 3.040 ( -0.062 2.268 0.991) 2.476 3.179 ( -0.497 -0.772 -0.376) 0.992 3.179 ( -0.497 0.772 -0.376) 0.992 3.246 ( 0.961 -0.777 -1.504) 1.947 3.246 ( 0.961 0.777 -1.504) 1.947 3.525 ( -1.144 -2.237 3.276) 4.128 3.525 ( -1.144 2.237 3.276) 4.128 4.314 ( -0.517 -3.192 3.204) 4.552 4.314 ( -0.517 3.192 3.204) 4.552 4.392 ( 1.253 -3.449 -2.235) 4.296 4.392 ( 1.253 3.449 -2.235) 4.296 4.755 ( -0.272 -0.196 0.275) 0.434 4.755 ( -0.272 0.196 0.275) 0.434 5.237 ( -0.257 -0.887 1.508) 1.768 5.237 ( -0.257 0.887 1.508) 1.768 5.495 ( 0.047 -2.325 2.963) 3.767 5.495 ( 0.047 2.325 2.963) 3.767 5.530 ( -1.010 -1.686 -0.739) 2.100 5.530 ( -1.010 1.686 -0.739) 2.100 5.788 ( -2.651 -0.695 9.533) 9.919 5.788 ( -2.651 0.695 9.533) 9.919 5.939 ( 1.763 -2.096 -1.774) 3.263 5.939 ( 1.763 2.096 -1.774) 3.263 6.077 ( 0.144 -1.218 -5.297) 5.437 6.077 ( 0.144 1.218 -5.297) 5.437 6.221 ( 0.716 -0.968 -1.871) 2.225 6.221 ( 0.716 0.968 -1.871) 2.225 6.455 ( 0.195 -0.270 -0.573) 0.663 6.455 ( 0.195 0.270 -0.573) 0.663 6.485 ( 0.250 -0.991 -0.974) 1.412 6.485 ( 0.250 0.991 -0.974) 1.412 6.769 ( -0.042 -0.581 0.611) 0.844 6.769 ( -0.042 0.581 0.611) 0.844 7.143 ( -0.443 -2.017 0.677) 2.173 7.143 ( -0.443 2.017 0.677) 2.173 8.086 ( -1.561 -1.795 7.345) 7.721 8.086 ( -1.561 1.795 7.345) 7.721 8.359 ( 1.099 -1.705 -8.654) 8.889 8.359 ( 1.099 1.705 -8.654) 8.889 12.010 ( -1.413 -2.123 -0.958) 2.724 12.010 ( -1.413 2.123 -0.958) 2.724 12.564 ( 0.562 -3.329 -2.494) 4.198 12.564 ( 0.562 3.329 -2.494) 4.198 13.200 ( 0.508 -1.158 -0.143) 1.273 13.200 ( 0.508 1.158 -0.143) 1.273 14.163 ( 0.552 -0.260 -0.135) 0.625 14.163 ( 0.552 0.260 -0.135) 0.625 14.378 ( -1.223 -3.645 3.163) 4.979 14.378 ( -1.223 3.645 3.163) 4.979 14.887 ( 2.478 -6.245 -4.518) 8.097 14.887 ( 2.478 6.245 -4.518) 8.097 15.338 ( -2.506 -1.942 0.187) 3.176 15.338 ( -2.506 1.942 0.187) 3.176 17.571 ( 1.514 -5.031 2.985) 6.043 17.571 ( 1.514 5.031 2.985) 6.043 18.828 ( 0.606 -3.460 -0.709) 3.583 18.828 ( 0.606 3.460 -0.709) 3.583 19.377 ( 0.783 -2.455 0.273) 2.591 19.377 ( 0.783 2.455 0.273) 2.591 20.048 ( 0.325 -2.083 -1.380) 2.519 20.048 ( 0.325 2.083 -1.380) 2.519 20.158 ( -1.170 -1.457 -0.007) 1.868 20.158 ( -1.170 1.457 -0.007) 1.868 ======================= Grid point 79 (44/48) ======================= q-point: ( 0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( 8.058 -2.090 4.072) 9.267 0.457 ( 8.058 2.090 4.072) 9.267 0.784 ( 6.941 -0.380 1.940) 7.217 0.784 ( 6.941 0.380 1.940) 7.217 0.935 ( 4.379 -2.106 1.118) 4.985 0.935 ( 4.379 2.106 1.118) 4.985 1.082 ( -1.455 -2.100 4.307) 5.007 1.082 ( -1.455 2.100 4.307) 5.007 1.180 ( -0.648 -0.844 -2.199) 2.443 1.180 ( -0.648 0.844 -2.199) 2.443 1.307 ( -0.993 -1.666 3.531) 4.029 1.307 ( -0.993 1.666 3.531) 4.029 1.446 ( 0.533 -1.795 1.567) 2.442 1.446 ( 0.533 1.795 1.567) 2.442 1.571 ( -1.205 -1.872 -3.130) 3.841 1.571 ( -1.205 1.872 -3.130) 3.841 1.665 ( 1.470 -0.768 -1.529) 2.256 1.665 ( 1.470 0.768 -1.529) 2.256 1.725 ( -0.005 -4.153 -1.877) 4.558 1.725 ( -0.005 4.153 -1.877) 4.558 1.831 ( 1.927 -3.440 -2.844) 4.861 1.831 ( 1.927 3.440 -2.844) 4.861 1.928 ( 0.703 -1.193 -1.175) 1.816 1.928 ( 0.703 1.193 -1.175) 1.816 1.953 ( 0.109 -1.341 0.588) 1.468 1.953 ( 0.109 1.341 0.588) 1.468 2.078 ( -1.135 -2.946 2.082) 3.781 2.078 ( -1.135 2.946 2.082) 3.781 2.158 ( 0.539 -1.675 -2.172) 2.796 2.158 ( 0.539 1.675 -2.172) 2.796 2.329 ( -1.210 -2.225 2.565) 3.605 2.329 ( -1.210 2.225 2.565) 3.605 2.425 ( -2.577 -0.519 -1.314) 2.939 2.425 ( -2.577 0.519 -1.314) 2.939 2.501 ( -1.544 -2.847 -1.701) 3.659 2.501 ( -1.544 2.847 -1.701) 3.659 2.588 ( 1.219 -2.232 -1.139) 2.787 2.588 ( 1.219 2.232 -1.139) 2.787 2.657 ( 0.676 -1.315 -2.075) 2.548 2.657 ( 0.676 1.315 -2.075) 2.548 2.803 ( 1.874 -1.653 3.035) 3.931 2.803 ( 1.874 1.653 3.035) 3.931 2.902 ( -1.312 -0.792 -1.117) 1.897 2.902 ( -1.312 0.792 -1.117) 1.897 3.029 ( -0.698 -2.844 0.494) 2.970 3.029 ( -0.698 2.844 0.494) 2.970 3.165 ( -1.464 -3.358 0.756) 3.741 3.165 ( -1.464 3.358 0.756) 3.741 3.243 ( 0.007 -3.153 -1.507) 3.494 3.243 ( 0.007 3.153 -1.507) 3.494 3.543 ( 0.773 -3.325 3.507) 4.894 3.543 ( 0.773 3.325 3.507) 4.894 4.244 ( -5.431 -2.425 1.081) 6.046 4.244 ( -5.431 2.425 1.081) 6.046 4.391 ( -1.114 -4.247 -2.020) 4.834 4.391 ( -1.114 4.247 -2.020) 4.834 4.791 ( 2.917 -3.784 0.755) 4.837 4.791 ( 2.917 3.784 0.755) 4.837 5.242 ( -0.067 -2.026 1.091) 2.303 5.242 ( -0.067 2.026 1.091) 2.303 5.505 ( -1.052 -1.977 4.301) 4.850 5.505 ( -1.052 1.977 4.301) 4.850 5.518 ( 0.284 -1.767 -0.827) 1.971 5.518 ( 0.284 1.767 -0.827) 1.971 5.781 ( -2.354 -1.119 8.209) 8.613 5.781 ( -2.354 1.119 8.209) 8.613 5.960 ( 1.125 -0.821 -3.003) 3.310 5.960 ( 1.125 0.821 -3.003) 3.310 6.057 ( 0.578 -1.210 -3.069) 3.349 6.057 ( 0.578 1.210 -3.069) 3.349 6.231 ( 1.099 -0.518 -2.053) 2.386 6.231 ( 1.099 0.518 -2.053) 2.386 6.457 ( 0.152 -2.327 -0.956) 2.520 6.457 ( 0.152 2.327 -0.956) 2.520 6.480 ( 0.016 -1.813 -0.704) 1.945 6.480 ( 0.016 1.813 -0.704) 1.945 6.760 ( -0.807 -0.833 0.247) 1.186 6.760 ( -0.807 0.833 0.247) 1.186 7.127 ( -1.484 -1.566 1.018) 2.385 7.127 ( -1.484 1.566 1.018) 2.385 8.084 ( -2.409 -1.591 7.425) 7.966 8.084 ( -2.409 1.591 7.425) 7.966 8.316 ( -0.853 -1.372 -7.096) 7.278 8.316 ( -0.853 1.372 -7.096) 7.278 11.978 ( -1.729 -3.712 1.918) 4.521 11.978 ( -1.729 3.712 1.918) 4.521 12.539 ( -1.607 -4.672 -2.310) 5.455 12.539 ( -1.607 4.672 -2.310) 5.455 13.167 ( -3.000 -1.336 -0.696) 3.357 13.167 ( -3.000 1.336 -0.696) 3.357 14.186 ( 0.985 -2.255 -0.990) 2.652 14.186 ( 0.985 2.255 -0.990) 2.652 14.348 ( -1.216 -4.426 2.957) 5.460 14.348 ( -1.216 4.426 2.957) 5.460 14.862 ( -1.922 -3.535 -3.559) 5.372 14.862 ( -1.922 3.535 -3.559) 5.372 15.549 ( 18.419 -2.480 2.213) 18.717 15.549 ( 18.419 2.480 2.213) 18.717 17.538 ( -4.780 -3.050 -1.256) 5.808 17.538 ( -4.780 3.050 -1.256) 5.808 18.787 ( -3.447 -4.515 -1.307) 5.829 18.787 ( -3.447 4.515 -1.307) 5.829 19.424 ( 3.445 -5.839 -1.088) 6.867 19.424 ( 3.445 5.839 -1.088) 6.867 19.994 ( -3.329 -5.149 -0.394) 6.144 19.994 ( -3.329 5.149 -0.394) 6.144 20.206 ( 3.682 -3.464 0.910) 5.136 20.206 ( 3.682 3.464 0.910) 5.136 ======================= Grid point 81 (45/48) ======================= q-point: ( 0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 9.669 -3.306 2.860) 10.611 0.674 ( 9.669 3.306 2.860) 10.611 0.953 ( 5.727 -5.169 9.102) 11.932 0.953 ( 5.727 5.169 9.102) 11.932 0.994 ( 0.354 -6.302 2.593) 6.824 0.994 ( 0.354 6.302 2.593) 6.824 1.124 ( 0.065 -5.749 -0.552) 5.776 1.124 ( 0.065 5.749 -0.552) 5.776 1.152 ( 2.618 -2.550 0.008) 3.655 1.152 ( 2.618 2.550 0.008) 3.655 1.332 ( 1.964 -1.099 1.538) 2.726 1.332 ( 1.964 1.099 1.538) 2.726 1.453 ( -1.033 -2.638 1.644) 3.275 1.453 ( -1.033 2.638 1.644) 3.275 1.531 ( -0.763 -2.664 -3.402) 4.388 1.531 ( -0.763 2.664 -3.402) 4.388 1.651 ( -0.843 -2.303 -4.882) 5.463 1.651 ( -0.843 2.303 -4.882) 5.463 1.732 ( 0.937 -2.518 -1.029) 2.877 1.732 ( 0.937 2.518 -1.029) 2.877 1.829 ( -1.163 -2.290 -2.631) 3.677 1.829 ( -1.163 2.290 -2.631) 3.677 1.923 ( -0.405 -1.094 1.140) 1.631 1.923 ( -0.405 1.094 1.140) 1.631 1.961 ( -0.366 -1.574 0.830) 1.817 1.961 ( -0.366 1.574 0.830) 1.817 2.044 ( -1.947 -2.325 -0.611) 3.094 2.044 ( -1.947 2.325 -0.611) 3.094 2.186 ( 2.226 -2.706 0.647) 3.563 2.186 ( 2.226 2.706 0.647) 3.563 2.284 ( -2.998 -4.792 -2.224) 6.074 2.284 ( -2.998 4.792 -2.224) 6.074 2.399 ( 0.762 -4.248 2.153) 4.823 2.399 ( 0.762 4.248 2.153) 4.823 2.455 ( -1.007 -1.865 -4.614) 5.078 2.455 ( -1.007 1.865 -4.614) 5.078 2.609 ( -0.210 -3.779 -0.418) 3.808 2.609 ( -0.210 3.779 -0.418) 3.808 2.651 ( 0.687 -3.064 -0.273) 3.152 2.651 ( 0.687 3.064 -0.273) 3.152 2.841 ( -0.235 -0.982 2.354) 2.561 2.841 ( -0.235 0.982 2.354) 2.561 2.893 ( 1.001 -2.186 -1.098) 2.643 2.893 ( 1.001 2.186 -1.098) 2.643 3.021 ( -0.074 -1.948 -0.771) 2.096 3.021 ( -0.074 1.948 -0.771) 2.096 3.121 ( -3.020 -5.665 2.492) 6.887 3.121 ( -3.020 5.665 2.492) 6.887 3.254 ( 1.466 -1.413 -0.917) 2.233 3.254 ( 1.466 1.413 -0.917) 2.233 3.577 ( 0.579 -4.072 3.803) 5.601 3.577 ( 0.579 4.072 3.803) 5.601 4.154 ( -3.308 -1.091 0.318) 3.498 4.154 ( -3.308 1.091 0.318) 3.498 4.335 ( -2.528 -3.906 -2.710) 5.385 4.335 ( -2.528 3.906 -2.710) 5.385 4.856 ( 2.415 -4.171 1.557) 5.065 4.856 ( 2.415 4.171 1.557) 5.065 5.239 ( -0.698 -1.623 0.596) 1.864 5.239 ( -0.698 1.623 0.596) 1.864 5.496 ( -2.366 -1.536 5.989) 6.620 5.496 ( -2.366 1.536 5.989) 6.620 5.531 ( 1.471 -1.958 -1.564) 2.906 5.531 ( 1.471 1.958 -1.564) 2.906 5.780 ( -1.741 -1.805 6.833) 7.278 5.780 ( -1.741 1.805 6.833) 7.278 5.955 ( 0.504 -1.305 -4.223) 4.448 5.955 ( 0.504 1.305 -4.223) 4.448 6.071 ( 1.427 -1.865 -1.141) 2.610 6.071 ( 1.427 1.865 -1.141) 2.610 6.239 ( 0.604 -0.361 -1.925) 2.050 6.239 ( 0.604 0.361 -1.925) 2.050 6.445 ( -0.505 -1.836 -0.886) 2.100 6.445 ( -0.505 1.836 -0.886) 2.100 6.489 ( 0.990 -1.120 -0.715) 1.657 6.489 ( 0.990 1.120 -0.715) 1.657 6.748 ( -0.250 -0.937 -0.141) 0.980 6.748 ( -0.250 0.937 -0.141) 0.980 7.097 ( -1.761 -1.715 0.988) 2.649 7.097 ( -1.761 1.715 0.988) 2.649 8.071 ( -2.677 -1.307 7.761) 8.313 8.071 ( -2.677 1.307 7.761) 8.313 8.267 ( -0.037 -0.907 -6.810) 6.870 8.267 ( -0.037 0.907 -6.810) 6.870 11.967 ( -0.661 -5.822 3.497) 6.823 11.967 ( -0.661 5.822 3.497) 6.823 12.485 ( -1.984 -5.721 -3.293) 6.892 12.485 ( -1.984 5.721 -3.293) 6.892 13.097 ( -2.984 -1.034 -0.492) 3.197 13.097 ( -2.984 1.034 -0.492) 3.197 14.170 ( -1.384 -3.041 -0.459) 3.373 14.170 ( -1.384 3.041 -0.459) 3.373 14.396 ( 3.300 -3.612 2.005) 5.288 14.396 ( 3.300 3.612 2.005) 5.288 14.792 ( -2.762 -1.582 -3.178) 4.498 14.792 ( -2.762 1.582 -3.178) 4.498 15.963 ( 17.762 -6.327 5.430) 19.622 15.963 ( 17.762 6.327 5.430) 19.622 17.395 ( -6.918 -5.092 -4.501) 9.697 17.395 ( -6.918 5.092 -4.501) 9.697 18.711 ( -2.576 -5.067 -1.247) 5.820 18.711 ( -2.576 5.067 -1.247) 5.820 19.484 ( 2.631 -6.288 -0.908) 6.876 19.484 ( 2.631 6.288 -0.908) 6.876 19.936 ( -2.090 -3.282 -0.514) 3.925 19.936 ( -2.090 3.282 -0.514) 3.925 20.278 ( 2.584 -1.901 0.910) 3.335 20.278 ( 2.584 1.901 0.910) 3.335 ======================= Grid point 83 (46/48) ======================= q-point: (-0.50 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.792 ( -2.205 -1.156 4.706) 5.324 0.792 ( -2.205 1.156 4.706) 5.324 0.966 ( -2.250 -1.631 3.933) 4.815 0.966 ( -2.249 1.631 3.933) 4.815 1.066 ( 1.930 -3.697 -0.319) 4.183 1.066 ( 1.930 3.697 -0.319) 4.183 1.161 ( 2.529 -1.210 4.344) 5.170 1.161 ( 2.529 1.210 4.344) 5.170 1.228 ( 2.453 -1.953 -0.322) 3.152 1.228 ( 2.453 1.953 -0.322) 3.152 1.378 ( 1.526 -1.039 1.037) 2.117 1.378 ( 1.526 1.039 1.037) 2.117 1.416 ( -1.927 -2.446 -0.005) 3.114 1.416 ( -1.927 2.446 -0.005) 3.114 1.511 ( -0.286 -1.766 -0.769) 1.947 1.511 ( -0.286 1.766 -0.769) 1.947 1.601 ( -0.968 -1.924 -6.005) 6.379 1.601 ( -0.968 1.924 -6.005) 6.379 1.722 ( -2.165 -3.636 1.075) 4.366 1.722 ( -2.165 3.636 1.075) 4.366 1.795 ( 1.239 -4.154 -3.528) 5.589 1.795 ( 1.239 4.154 -3.528) 5.589 1.914 ( -0.878 -2.971 1.650) 3.510 1.914 ( -0.878 2.971 1.650) 3.510 1.968 ( 0.490 -0.574 0.966) 1.226 1.968 ( 0.490 0.574 0.966) 1.226 2.017 ( -0.157 -1.540 -1.482) 2.143 2.017 ( -0.157 1.540 -1.482) 2.143 2.206 ( -1.163 -0.630 -0.913) 1.608 2.206 ( -1.163 0.630 -0.913) 1.608 2.267 ( 1.758 -3.128 2.750) 4.520 2.267 ( 1.758 3.128 2.750) 4.520 2.382 ( -0.993 -3.045 -4.637) 5.636 2.382 ( -0.993 3.045 -4.637) 5.636 2.465 ( 0.729 -1.797 0.653) 2.047 2.465 ( 0.729 1.797 0.653) 2.047 2.587 ( 0.333 -2.684 -1.537) 3.111 2.587 ( 0.333 2.684 -1.537) 3.111 2.676 ( 0.673 -1.927 -0.162) 2.047 2.676 ( 0.673 1.927 -0.162) 2.047 2.850 ( 0.727 -1.278 1.053) 1.809 2.850 ( 0.727 1.278 1.053) 1.809 2.884 ( -0.786 -2.243 -0.593) 2.449 2.884 ( -0.786 2.243 -0.593) 2.449 3.011 ( -1.522 -2.781 0.559) 3.219 3.011 ( -1.522 2.781 0.559) 3.219 3.108 ( 1.088 -1.445 1.851) 2.588 3.108 ( 1.088 1.445 1.851) 2.588 3.271 ( 0.488 -0.914 -1.722) 2.010 3.271 ( 0.488 0.914 -1.722) 2.010 3.601 ( -0.384 -3.360 3.677) 4.995 3.601 ( -0.384 3.360 3.677) 4.995 4.120 ( -0.226 -0.072 0.329) 0.405 4.120 ( -0.226 0.072 0.329) 0.405 4.284 ( -0.748 -1.769 -1.827) 2.651 4.284 ( -0.748 1.769 -1.827) 2.651 4.893 ( 0.246 -2.309 1.483) 2.755 4.893 ( 0.246 2.309 1.483) 2.755 5.227 ( -0.584 -0.828 0.672) 1.215 5.227 ( -0.584 0.828 0.672) 1.215 5.477 ( -2.380 -1.383 5.948) 6.554 5.477 ( -2.380 1.383 5.948) 6.554 5.557 ( 1.778 -1.696 -1.889) 3.100 5.557 ( 1.778 1.696 -1.889) 3.100 5.779 ( -1.773 -1.686 6.658) 7.093 5.779 ( -1.773 1.686 6.658) 7.093 5.942 ( 0.264 -2.251 -3.661) 4.306 5.942 ( 0.264 2.251 -3.661) 4.306 6.089 ( 0.907 -2.058 -1.401) 2.649 6.089 ( 0.907 2.058 -1.401) 2.649 6.237 ( 0.234 -1.670 -1.690) 2.388 6.237 ( 0.234 1.670 -1.690) 2.388 6.437 ( 0.106 -1.562 -0.658) 1.698 6.437 ( 0.106 1.562 -0.658) 1.698 6.502 ( 0.504 -1.514 -1.069) 1.921 6.502 ( 0.504 1.514 -1.069) 1.921 6.746 ( -0.015 -0.230 -0.220) 0.319 6.746 ( -0.015 0.230 -0.220) 0.319 7.080 ( -0.043 -1.769 0.779) 1.934 7.080 ( -0.043 1.769 0.779) 1.934 8.060 ( -2.258 -0.760 7.911) 8.262 8.060 ( -2.258 0.760 7.911) 8.262 8.254 ( 2.459 -1.235 -7.297) 7.799 8.254 ( 2.459 1.235 -7.297) 7.799 11.988 ( 0.995 -3.627 2.598) 4.571 11.988 ( 0.995 3.627 2.598) 4.571 12.443 ( 0.184 -5.261 -3.637) 6.398 12.443 ( 0.184 5.261 -3.637) 6.398 13.058 ( -0.645 -1.302 0.397) 1.506 13.058 ( -0.645 1.302 0.397) 1.506 14.148 ( -0.652 -1.143 0.551) 1.426 14.148 ( -0.652 1.143 0.551) 1.426 14.450 ( 0.586 -1.094 0.932) 1.552 14.450 ( 0.586 1.094 0.932) 1.552 14.736 ( -1.092 -1.340 -1.743) 2.455 14.736 ( -1.092 1.340 -1.743) 2.455 16.235 ( 4.637 -7.046 2.775) 8.880 16.235 ( 4.637 7.046 2.775) 8.880 17.254 ( -3.471 -5.208 -2.827) 6.868 17.254 ( -3.471 5.208 -2.827) 6.868 18.683 ( 0.367 -4.431 -1.129) 4.587 18.683 ( 0.367 4.431 -1.129) 4.587 19.504 ( -0.861 -3.911 0.242) 4.012 19.504 ( -0.861 3.911 0.242) 4.012 19.913 ( 0.509 -1.202 -1.106) 1.711 19.913 ( 0.509 1.202 -1.106) 1.711 20.313 ( 0.525 -0.649 0.225) 0.864 20.313 ( 0.525 0.649 0.225) 0.864 ======================= Grid point 85 (47/48) ======================= q-point: (-0.33 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -11.137 -2.151 3.766) 11.952 0.652 ( -11.137 2.151 3.766) 11.952 0.952 ( -2.653 -3.215 3.708) 5.579 0.952 ( -2.653 3.215 3.708) 5.579 1.074 ( -4.794 -0.797 0.629) 4.900 1.074 ( -4.794 0.797 0.629) 4.900 1.142 ( -4.779 -3.383 -1.245) 5.986 1.142 ( -4.779 3.383 -1.245) 5.986 1.193 ( 0.630 -3.075 -3.358) 4.597 1.193 ( 0.630 3.075 -3.358) 4.597 1.395 ( 0.628 -2.093 -1.466) 2.632 1.395 ( 0.628 2.093 -1.466) 2.632 1.448 ( 1.374 -2.212 2.323) 3.490 1.448 ( 1.374 2.212 2.323) 3.490 1.504 ( -0.427 -0.797 0.292) 0.950 1.504 ( -0.427 0.797 0.292) 0.950 1.578 ( 1.776 -2.242 -1.386) 3.179 1.578 ( 1.776 2.242 -1.386) 3.179 1.699 ( -0.784 -4.090 0.698) 4.222 1.699 ( -0.784 4.090 0.698) 4.222 1.823 ( 1.696 -2.176 -1.841) 3.317 1.823 ( 1.696 2.176 -1.841) 3.317 1.939 ( 2.443 -2.225 2.893) 4.392 1.939 ( 2.443 2.225 2.893) 4.392 1.972 ( 0.301 -0.457 -1.526) 1.621 1.972 ( 0.301 0.457 -1.526) 1.621 2.017 ( 0.614 -1.168 0.113) 1.324 2.017 ( 0.614 1.168 0.113) 1.324 2.168 ( -2.041 -0.543 0.475) 2.165 2.168 ( -2.041 0.543 0.475) 2.165 2.311 ( -1.994 -2.084 -1.519) 3.260 2.311 ( -1.994 2.084 -1.519) 3.260 2.349 ( 2.461 -4.196 2.059) 5.282 2.349 ( 2.461 4.196 2.059) 5.282 2.475 ( 1.907 -1.416 -3.327) 4.088 2.475 ( 1.907 1.416 -3.327) 4.088 2.605 ( 0.747 -1.602 -0.370) 1.806 2.605 ( 0.747 1.602 -0.370) 1.806 2.665 ( -0.778 -2.077 -1.530) 2.695 2.665 ( -0.778 2.077 -1.530) 2.695 2.872 ( 1.112 -2.958 -0.945) 3.298 2.872 ( 1.112 2.958 -0.945) 3.298 2.884 ( -0.375 -2.760 0.733) 2.880 2.884 ( -0.375 2.760 0.733) 2.880 2.982 ( -0.709 -3.950 2.340) 4.646 2.982 ( -0.709 3.950 2.340) 4.646 3.158 ( 2.516 -4.548 0.667) 5.240 3.158 ( 2.516 4.548 0.667) 5.240 3.254 ( -0.997 -1.019 -2.186) 2.610 3.254 ( -0.997 1.019 -2.186) 2.610 3.591 ( -2.145 -2.469 2.688) 4.234 3.591 ( -2.145 2.469 2.688) 4.234 4.150 ( 2.952 -0.686 0.775) 3.129 4.150 ( 2.952 0.686 0.775) 3.129 4.296 ( 2.112 -1.650 0.347) 2.703 4.296 ( 2.112 1.650 0.347) 2.703 4.875 ( -2.452 -1.384 0.116) 2.818 4.875 ( -2.452 1.384 0.116) 2.818 5.228 ( 0.060 -1.016 1.679) 1.963 5.228 ( 0.060 1.016 1.679) 1.963 5.467 ( -1.232 -1.504 4.689) 5.076 5.467 ( -1.232 1.504 4.689) 5.076 5.574 ( 0.625 -1.273 -1.860) 2.339 5.574 ( 0.625 1.273 -1.860) 2.339 5.780 ( -1.858 -0.552 7.976) 8.208 5.780 ( -1.858 0.552 7.976) 8.208 5.927 ( 0.068 -2.771 -3.089) 4.151 5.927 ( 0.068 2.771 -3.089) 4.151 6.094 ( 0.672 -2.545 -2.573) 3.681 6.094 ( 0.672 2.545 -2.573) 3.681 6.232 ( 0.095 -2.611 -1.572) 3.049 6.232 ( 0.095 2.611 -1.572) 3.049 6.443 ( 0.728 -1.666 -0.617) 1.920 6.443 ( 0.728 1.666 -0.617) 1.920 6.496 ( -0.388 -2.356 -1.245) 2.693 6.496 ( -0.388 2.356 -1.245) 2.693 6.746 ( 0.208 -0.921 0.004) 0.944 6.746 ( 0.208 0.921 0.004) 0.944 7.103 ( 1.626 -2.046 0.544) 2.669 7.103 ( 1.626 2.046 0.544) 2.669 8.062 ( -1.529 -0.768 7.549) 7.740 8.062 ( -1.529 0.768 7.549) 7.740 8.290 ( 4.802 -1.791 -7.841) 9.367 8.290 ( 4.802 1.791 -7.841) 9.367 12.023 ( 1.537 -2.648 -0.484) 3.099 12.023 ( 1.537 2.648 -0.484) 3.099 12.466 ( 3.529 -4.471 -2.504) 6.222 12.466 ( 3.529 4.471 -2.504) 6.222 13.079 ( 2.241 -2.080 1.174) 3.275 13.079 ( 2.241 2.080 1.174) 3.275 14.149 ( 0.157 -1.718 1.319) 2.171 14.149 ( 0.157 1.718 1.319) 2.171 14.424 ( -2.846 -0.864 -0.200) 2.981 14.424 ( -2.846 0.864 -0.200) 2.981 14.741 ( 1.914 -2.100 0.724) 2.932 14.741 ( 1.914 2.100 0.724) 2.932 16.111 ( -15.409 -6.686 -6.580) 18.040 16.111 ( -15.409 6.686 -6.580) 18.040 17.281 ( 5.216 -6.915 5.005) 10.004 17.281 ( 5.216 6.915 5.005) 10.004 18.710 ( 2.855 -3.421 -1.289) 4.639 18.710 ( 2.855 3.421 -1.289) 4.639 19.457 ( -3.639 -0.812 1.394) 3.980 19.457 ( -3.639 0.812 1.394) 3.980 19.945 ( 2.910 -1.252 -1.249) 3.405 19.945 ( 2.910 1.252 -1.249) 3.405 20.299 ( -1.772 -3.145 -0.869) 3.713 20.299 ( -1.772 3.145 -0.869) 3.713 ======================= Grid point 87 (48/48) ======================= q-point: (-0.17 -0.50 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 6.61e-05 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 1.56e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -7.260 -3.102 1.105) 7.972 0.463 ( -7.260 3.102 1.105) 7.972 0.801 ( -11.663 -6.160 1.423) 13.266 0.801 ( -11.663 6.160 1.423) 13.266 0.956 ( -3.719 -2.848 -0.264) 4.692 0.956 ( -3.719 2.848 -0.264) 4.692 1.099 ( -0.752 -1.318 1.518) 2.146 1.099 ( -0.752 1.318 1.518) 2.146 1.199 ( 0.727 -0.469 -3.175) 3.291 1.199 ( 0.727 0.469 -3.175) 3.291 1.394 ( -0.689 -1.321 -0.807) 1.695 1.394 ( -0.689 1.321 -0.807) 1.695 1.437 ( -2.257 -4.818 0.906) 5.397 1.437 ( -2.257 4.818 0.906) 5.397 1.523 ( 2.292 -2.620 1.494) 3.788 1.523 ( 2.292 2.620 1.494) 3.788 1.632 ( 2.392 -2.188 0.335) 3.259 1.632 ( 2.392 2.188 0.335) 3.259 1.689 ( -0.050 -3.814 0.099) 3.816 1.689 ( -0.050 3.814 0.099) 3.816 1.826 ( -0.073 -2.790 -1.948) 3.404 1.826 ( -0.073 2.790 -1.948) 3.404 1.939 ( -0.546 -0.921 -2.394) 2.622 1.939 ( -0.546 0.921 -2.394) 2.622 1.983 ( -0.887 -2.594 -1.205) 2.995 1.983 ( -0.887 2.594 -1.205) 2.995 2.088 ( 2.054 -1.816 2.368) 3.622 2.088 ( 2.054 1.816 2.368) 3.622 2.144 ( 1.295 -2.333 0.996) 2.849 2.144 ( 1.295 2.333 0.996) 2.849 2.259 ( -1.166 -5.388 2.234) 5.948 2.259 ( -1.166 5.388 2.234) 5.948 2.424 ( 1.686 -2.819 1.720) 3.708 2.424 ( 1.686 2.819 1.720) 3.708 2.509 ( 3.679 -2.038 -3.808) 5.673 2.509 ( 3.679 2.038 -3.808) 5.673 2.602 ( -0.617 -1.227 -0.297) 1.405 2.602 ( -0.617 1.227 -0.297) 1.405 2.645 ( -0.342 -1.825 -1.778) 2.571 2.645 ( -0.342 1.825 -1.778) 2.571 2.833 ( -3.400 -4.278 -0.009) 5.465 2.833 ( -3.400 4.278 -0.009) 5.465 2.906 ( 2.037 -2.524 -1.076) 3.417 2.906 ( 2.037 2.524 -1.076) 3.417 3.012 ( 1.474 -2.318 2.023) 3.411 3.012 ( 1.474 2.318 2.023) 3.411 3.193 ( -0.122 -2.046 0.332) 2.076 3.193 ( -0.122 2.046 0.332) 2.076 3.229 ( 0.673 -2.294 -1.870) 3.035 3.229 ( 0.673 2.294 -1.870) 3.035 3.553 ( -2.676 -2.261 2.575) 4.348 3.553 ( -2.676 2.261 2.575) 4.348 4.240 ( 4.751 -0.877 1.487) 5.055 4.240 ( 4.751 0.877 1.487) 5.055 4.357 ( 2.867 -3.851 0.940) 4.892 4.357 ( 2.867 3.851 0.940) 4.892 4.805 ( -3.766 -1.827 -0.560) 4.223 4.805 ( -3.766 1.827 -0.560) 4.223 5.236 ( -0.358 -0.614 1.898) 2.027 5.236 ( -0.358 0.614 1.898) 2.027 5.477 ( 0.043 -2.132 3.273) 3.906 5.477 ( 0.043 2.132 3.273) 3.906 5.559 ( -1.060 -1.302 -1.311) 2.131 5.559 ( -1.060 1.302 -1.311) 2.131 5.786 ( -2.087 -0.338 9.530) 9.762 5.786 ( -2.087 0.338 9.530) 9.762 5.921 ( 0.944 -2.790 -2.494) 3.859 5.921 ( 0.944 2.790 -2.494) 3.859 6.092 ( 0.849 -2.526 -4.426) 5.166 6.092 ( 0.849 2.526 -4.426) 5.166 6.224 ( 0.014 -2.589 -1.692) 3.093 6.224 ( 0.014 2.589 -1.692) 3.093 6.454 ( 0.440 -1.646 -0.539) 1.787 6.454 ( 0.440 1.646 -0.539) 1.787 6.484 ( 0.071 -2.837 -1.074) 3.035 6.484 ( 0.071 2.837 -1.074) 3.035 6.757 ( 0.668 -1.218 0.433) 1.455 6.757 ( 0.668 1.218 0.433) 1.455 7.135 ( 0.975 -2.498 0.420) 2.714 7.135 ( 0.975 2.498 0.420) 2.714 8.074 ( -1.144 -1.531 7.282) 7.528 8.074 ( -1.144 1.531 7.282) 7.528 8.348 ( 4.429 -1.819 -8.830) 10.045 8.348 ( 4.429 1.819 -8.830) 10.045 12.034 ( 0.216 -4.654 -2.443) 5.260 12.034 ( 0.216 4.654 -2.443) 5.260 12.535 ( 3.582 -3.112 -2.441) 5.336 12.535 ( 3.582 3.112 -2.441) 5.336 13.149 ( 3.590 -1.978 0.897) 4.196 13.149 ( 3.590 1.978 0.897) 4.196 14.161 ( 0.020 -1.757 1.277) 2.173 14.161 ( 0.020 1.757 1.277) 2.173 14.373 ( -1.103 -1.500 0.672) 1.979 14.373 ( -1.103 1.500 0.672) 1.979 14.813 ( 4.389 -3.012 0.431) 5.341 14.813 ( 4.389 3.012 0.431) 5.341 15.653 ( -22.213 -4.643 -6.614) 23.637 15.653 ( -22.213 4.643 -6.614) 23.637 17.452 ( 6.925 -7.996 6.439) 12.383 17.452 ( 6.925 7.996 6.439) 12.383 18.778 ( 3.850 -2.901 -0.786) 4.884 18.778 ( 3.850 2.901 -0.786) 4.884 19.395 ( -2.731 -0.208 1.533) 3.139 19.395 ( -2.731 0.208 1.533) 3.139 20.004 ( 3.305 -2.468 -1.239) 4.307 20.004 ( 3.305 2.468 -1.239) 4.307 20.233 ( -3.895 -4.344 -1.479) 6.019 20.233 ( -3.895 4.344 -1.479) 6.019 =================== 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 3/12960 10.0 3.595 2.735 2.693 0.000 0.032 0.000 3/12960 20.0 1.462 1.068 1.273 0.000 -0.006 0.000 3/12960 30.0 0.887 0.674 0.841 0.000 -0.006 0.000 3/12960 40.0 0.645 0.509 0.650 0.000 -0.005 0.000 3/12960 50.0 0.514 0.419 0.545 0.000 -0.007 0.000 3/12960 60.0 0.431 0.361 0.480 0.000 -0.010 0.000 3/12960 70.0 0.373 0.320 0.434 0.000 -0.012 0.000 3/12960 80.0 0.330 0.288 0.399 0.000 -0.014 0.000 3/12960 90.0 0.297 0.263 0.370 0.000 -0.016 0.000 3/12960 100.0 0.271 0.242 0.346 0.000 -0.017 0.000 3/12960 110.0 0.250 0.225 0.325 0.000 -0.017 0.000 3/12960 120.0 0.232 0.210 0.307 0.000 -0.018 0.000 3/12960 130.0 0.217 0.198 0.290 0.000 -0.018 0.000 3/12960 140.0 0.205 0.187 0.276 0.000 -0.018 0.000 3/12960 150.0 0.194 0.177 0.262 0.000 -0.018 0.000 3/12960 160.0 0.184 0.169 0.250 0.000 -0.017 0.000 3/12960 170.0 0.175 0.161 0.239 0.000 -0.017 0.000 3/12960 180.0 0.168 0.154 0.229 0.000 -0.017 0.000 3/12960 190.0 0.161 0.148 0.220 0.000 -0.016 0.000 3/12960 200.0 0.155 0.142 0.211 0.000 -0.016 0.000 3/12960 210.0 0.149 0.137 0.203 0.000 -0.016 0.000 3/12960 220.0 0.143 0.132 0.196 0.000 -0.015 0.000 3/12960 230.0 0.139 0.128 0.189 0.000 -0.015 0.000 3/12960 240.0 0.134 0.124 0.182 0.000 -0.015 0.000 3/12960 250.0 0.130 0.120 0.176 0.000 -0.014 0.000 3/12960 260.0 0.126 0.116 0.171 0.000 -0.014 0.000 3/12960 270.0 0.122 0.113 0.165 0.000 -0.014 0.000 3/12960 280.0 0.118 0.110 0.160 0.000 -0.013 0.000 3/12960 290.0 0.115 0.107 0.156 0.000 -0.013 0.000 3/12960 300.0 0.112 0.104 0.151 0.000 -0.013 0.000 3/12960 310.0 0.109 0.101 0.147 0.000 -0.012 0.000 3/12960 320.0 0.106 0.098 0.143 0.000 -0.012 0.000 3/12960 330.0 0.103 0.096 0.139 0.000 -0.012 0.000 3/12960 340.0 0.101 0.094 0.136 0.000 -0.011 0.000 3/12960 350.0 0.098 0.091 0.132 0.000 -0.011 0.000 3/12960 360.0 0.096 0.089 0.129 0.000 -0.011 0.000 3/12960 370.0 0.094 0.087 0.126 0.000 -0.011 0.000 3/12960 380.0 0.091 0.085 0.123 0.000 -0.011 0.000 3/12960 390.0 0.089 0.083 0.120 0.000 -0.010 0.000 3/12960 400.0 0.087 0.081 0.117 0.000 -0.010 0.000 3/12960 410.0 0.085 0.080 0.115 0.000 -0.010 0.000 3/12960 420.0 0.084 0.078 0.112 0.000 -0.010 0.000 3/12960 430.0 0.082 0.076 0.110 0.000 -0.009 0.000 3/12960 440.0 0.080 0.075 0.107 0.000 -0.009 0.000 3/12960 450.0 0.079 0.073 0.105 0.000 -0.009 0.000 3/12960 460.0 0.077 0.072 0.103 0.000 -0.009 0.000 3/12960 470.0 0.076 0.071 0.101 0.000 -0.009 0.000 3/12960 480.0 0.074 0.069 0.099 0.000 -0.009 0.000 3/12960 490.0 0.073 0.068 0.097 0.000 -0.008 0.000 3/12960 500.0 0.071 0.067 0.095 0.000 -0.008 0.000 3/12960 510.0 0.070 0.066 0.094 0.000 -0.008 0.000 3/12960 520.0 0.069 0.064 0.092 0.000 -0.008 0.000 3/12960 530.0 0.068 0.063 0.090 0.000 -0.008 0.000 3/12960 540.0 0.067 0.062 0.089 0.000 -0.008 0.000 3/12960 550.0 0.065 0.061 0.087 0.000 -0.008 0.000 3/12960 560.0 0.064 0.060 0.086 0.000 -0.008 0.000 3/12960 570.0 0.063 0.059 0.084 0.000 -0.007 0.000 3/12960 580.0 0.062 0.058 0.083 0.000 -0.007 0.000 3/12960 590.0 0.061 0.057 0.082 0.000 -0.007 0.000 3/12960 600.0 0.060 0.057 0.080 0.000 -0.007 0.000 3/12960 610.0 0.059 0.056 0.079 0.000 -0.007 0.000 3/12960 620.0 0.059 0.055 0.078 0.000 -0.007 0.000 3/12960 630.0 0.058 0.054 0.077 0.000 -0.007 0.000 3/12960 640.0 0.057 0.053 0.076 0.000 -0.007 0.000 3/12960 650.0 0.056 0.052 0.074 0.000 -0.007 0.000 3/12960 660.0 0.055 0.052 0.073 0.000 -0.006 0.000 3/12960 670.0 0.054 0.051 0.072 0.000 -0.006 0.000 3/12960 680.0 0.054 0.050 0.071 0.000 -0.006 0.000 3/12960 690.0 0.053 0.050 0.070 0.000 -0.006 0.000 3/12960 700.0 0.052 0.049 0.069 0.000 -0.006 0.000 3/12960 710.0 0.051 0.048 0.068 0.000 -0.006 0.000 3/12960 720.0 0.051 0.048 0.067 0.000 -0.006 0.000 3/12960 730.0 0.050 0.047 0.067 0.000 -0.006 0.000 3/12960 740.0 0.049 0.046 0.066 0.000 -0.006 0.000 3/12960 750.0 0.049 0.046 0.065 0.000 -0.006 0.000 3/12960 760.0 0.048 0.045 0.064 0.000 -0.006 0.000 3/12960 770.0 0.048 0.045 0.063 0.000 -0.006 0.000 3/12960 780.0 0.047 0.044 0.062 0.000 -0.006 0.000 3/12960 790.0 0.046 0.044 0.062 0.000 -0.005 0.000 3/12960 800.0 0.046 0.043 0.061 0.000 -0.005 0.000 3/12960 810.0 0.045 0.043 0.060 0.000 -0.005 0.000 3/12960 820.0 0.045 0.042 0.059 0.000 -0.005 0.000 3/12960 830.0 0.044 0.042 0.059 0.000 -0.005 0.000 3/12960 840.0 0.044 0.041 0.058 0.000 -0.005 0.000 3/12960 850.0 0.043 0.041 0.057 0.000 -0.005 0.000 3/12960 860.0 0.043 0.040 0.057 0.000 -0.005 0.000 3/12960 870.0 0.042 0.040 0.056 0.000 -0.005 0.000 3/12960 880.0 0.042 0.039 0.056 0.000 -0.005 0.000 3/12960 890.0 0.041 0.039 0.055 0.000 -0.005 0.000 3/12960 900.0 0.041 0.038 0.054 0.000 -0.005 0.000 3/12960 910.0 0.041 0.038 0.054 0.000 -0.005 0.000 3/12960 920.0 0.040 0.038 0.053 0.000 -0.005 0.000 3/12960 930.0 0.040 0.037 0.053 0.000 -0.005 0.000 3/12960 940.0 0.039 0.037 0.052 0.000 -0.005 0.000 3/12960 950.0 0.039 0.036 0.052 0.000 -0.005 0.000 3/12960 960.0 0.038 0.036 0.051 0.000 -0.005 0.000 3/12960 970.0 0.038 0.036 0.050 0.000 -0.005 0.000 3/12960 980.0 0.038 0.035 0.050 0.000 -0.004 0.000 3/12960 990.0 0.037 0.035 0.049 0.000 -0.004 0.000 3/12960 1000.0 0.037 0.035 0.049 0.000 -0.004 0.000 3/12960 Thermal conductivity related properties were written into "kappa-m645.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 01:03:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|