----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 18:47:49]------------------------- 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: [3 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 24 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.591179471242222 0.000000000000000 0.000000000000000 b 0.000000000000000 11.789982280000000 0.000000000000000 c -0.303983152990648 0.000000000000000 8.016882423928465 Atomic positions (fractional): *1 Li 0.73972093336404 0.22841428915303 0.64793031144253 6.941 2 Li 0.73972093336404 0.27158571084697 0.14793031144253 6.941 *3 Li 0.76394169746584 0.58836680469399 0.63245115767135 6.941 4 Li 0.76394169746584 0.91163319530601 0.13245115767135 6.941 5 Li 0.23605830253415 0.41163319530601 0.36754884232865 6.941 6 Li 0.23605830253415 0.08836680469399 0.86754884232865 6.941 7 Li 0.26027906663596 0.77158571084697 0.35206968855747 6.941 8 Li 0.26027906663596 0.72841428915303 0.85206968855747 6.941 *9 Te 0.71356762534720 0.91567124408297 0.67951629649747 127.600 10 Te 0.28643237465279 0.41567124408297 0.82048370350253 127.600 11 Te 0.28643237465279 0.08432875591703 0.32048370350254 127.600 12 Te 0.71356762534720 0.58432875591703 0.17951629649747 127.600 *13 Se 0.74465103460190 0.07831433962918 0.88382127594499 78.960 *14 Se 0.77093970272026 0.75149091385709 0.38324631010250 78.960 15 Se 0.22906029727973 0.24850908614291 0.61675368989750 78.960 16 Se 0.74465103460190 0.42168566037082 0.38382127594499 78.960 *17 Se 0.74232152195434 0.09498879315162 0.37381028709916 78.960 18 Se 0.25767847804566 0.90501120684838 0.62618971290084 78.960 19 Se 0.25767847804566 0.59498879315162 0.12618971290084 78.960 20 Se 0.25534896539810 0.92168566037082 0.11617872405501 78.960 21 Se 0.22906029727973 0.25149091385709 0.11675368989750 78.960 22 Se 0.77093970272026 0.74850908614291 0.88324631010250 78.960 23 Se 0.74232152195434 0.40501120684838 0.87381028709916 78.960 24 Se 0.25534896539810 0.57831433962918 0.61617872405501 78.960 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.591179471242222 0.000000000000000 0.000000000000000 b 0.000000000000000 11.789982280000000 0.000000000000000 c -0.303983152990648 0.000000000000000 8.016882423928465 Atomic positions (fractional): *1 Li 0.73972093336404 0.22841428915303 0.64793031144253 6.941 > 1 2 Li 0.73972093336404 0.27158571084697 0.14793031144253 6.941 > 2 *3 Li 0.76394169746584 0.58836680469399 0.63245115767135 6.941 > 3 4 Li 0.76394169746584 0.91163319530601 0.13245115767135 6.941 > 4 5 Li 0.23605830253415 0.41163319530601 0.36754884232865 6.941 > 5 6 Li 0.23605830253415 0.08836680469399 0.86754884232865 6.941 > 6 7 Li 0.26027906663596 0.77158571084697 0.35206968855747 6.941 > 7 8 Li 0.26027906663596 0.72841428915303 0.85206968855747 6.941 > 8 *9 Te 0.71356762534720 0.91567124408297 0.67951629649747 127.600 > 9 10 Te 0.28643237465279 0.41567124408297 0.82048370350253 127.600 > 10 11 Te 0.28643237465279 0.08432875591703 0.32048370350254 127.600 > 11 12 Te 0.71356762534720 0.58432875591703 0.17951629649747 127.600 > 12 *13 Se 0.74465103460190 0.07831433962918 0.88382127594499 78.960 > 13 *14 Se 0.77093970272027 0.75149091385709 0.38324631010250 78.960 > 14 15 Se 0.22906029727974 0.24850908614291 0.61675368989750 78.960 > 15 16 Se 0.74465103460190 0.42168566037082 0.38382127594499 78.960 > 16 *17 Se 0.74232152195434 0.09498879315162 0.37381028709916 78.960 > 17 18 Se 0.25767847804566 0.90501120684838 0.62618971290084 78.960 > 18 19 Se 0.25767847804566 0.59498879315162 0.12618971290084 78.960 > 19 20 Se 0.25534896539810 0.92168566037082 0.11617872405501 78.960 > 20 21 Se 0.22906029727974 0.25149091385709 0.11675368989750 78.960 > 21 22 Se 0.77093970272027 0.74850908614291 0.88324631010250 78.960 > 22 23 Se 0.74232152195434 0.40501120684838 0.87381028709916 78.960 > 23 24 Se 0.25534896539810 0.57831433962918 0.61617872405501 78.960 > 24 -------------------------------- super cell -------------------------------- Lattice vectors: a 16.773538413726666 0.000000000000000 0.000000000000000 b 0.000000000000000 11.789982280000000 0.000000000000000 c -0.607966305981296 0.000000000000000 16.033764847856929 Atomic positions (fractional): *1 Li 0.24657364445468 0.22841428915303 0.32396515572126 6.941 > 1 2 Li 0.57990697778801 0.22841428915303 0.32396515572126 6.941 > 1 3 Li 0.91324031112135 0.22841428915303 0.32396515572126 6.941 > 1 4 Li 0.24657364445468 0.22841428915303 0.82396515572126 6.941 > 1 5 Li 0.57990697778801 0.22841428915303 0.82396515572126 6.941 > 1 6 Li 0.91324031112135 0.22841428915303 0.82396515572126 6.941 > 1 7 Li 0.24657364445468 0.27158571084697 0.07396515572126 6.941 > 2 8 Li 0.57990697778801 0.27158571084697 0.07396515572126 6.941 > 2 9 Li 0.91324031112135 0.27158571084697 0.07396515572126 6.941 > 2 10 Li 0.24657364445468 0.27158571084697 0.57396515572126 6.941 > 2 11 Li 0.57990697778801 0.27158571084697 0.57396515572126 6.941 > 2 12 Li 0.91324031112135 0.27158571084697 0.57396515572126 6.941 > 2 *13 Li 0.25464723248861 0.58836680469399 0.31622557883568 6.941 > 3 14 Li 0.58798056582195 0.58836680469399 0.31622557883568 6.941 > 3 15 Li 0.92131389915528 0.58836680469399 0.31622557883568 6.941 > 3 16 Li 0.25464723248861 0.58836680469399 0.81622557883568 6.941 > 3 17 Li 0.58798056582195 0.58836680469399 0.81622557883568 6.941 > 3 18 Li 0.92131389915528 0.58836680469399 0.81622557883568 6.941 > 3 19 Li 0.25464723248861 0.91163319530601 0.06622557883568 6.941 > 4 20 Li 0.58798056582195 0.91163319530601 0.06622557883568 6.941 > 4 21 Li 0.92131389915528 0.91163319530601 0.06622557883568 6.941 > 4 22 Li 0.25464723248861 0.91163319530601 0.56622557883568 6.941 > 4 23 Li 0.58798056582195 0.91163319530601 0.56622557883568 6.941 > 4 24 Li 0.92131389915528 0.91163319530601 0.56622557883568 6.941 > 4 25 Li 0.07868610084472 0.41163319530601 0.18377442116432 6.941 > 5 26 Li 0.41201943417805 0.41163319530601 0.18377442116432 6.941 > 5 27 Li 0.74535276751138 0.41163319530601 0.18377442116432 6.941 > 5 28 Li 0.07868610084472 0.41163319530601 0.68377442116432 6.941 > 5 29 Li 0.41201943417805 0.41163319530601 0.68377442116432 6.941 > 5 30 Li 0.74535276751138 0.41163319530601 0.68377442116432 6.941 > 5 31 Li 0.07868610084472 0.08836680469399 0.43377442116432 6.941 > 6 32 Li 0.41201943417805 0.08836680469399 0.43377442116432 6.941 > 6 33 Li 0.74535276751138 0.08836680469399 0.43377442116432 6.941 > 6 34 Li 0.07868610084472 0.08836680469399 0.93377442116432 6.941 > 6 35 Li 0.41201943417805 0.08836680469399 0.93377442116432 6.941 > 6 36 Li 0.74535276751138 0.08836680469399 0.93377442116432 6.941 > 6 37 Li 0.08675968887865 0.77158571084697 0.17603484427874 6.941 > 7 38 Li 0.42009302221199 0.77158571084697 0.17603484427874 6.941 > 7 39 Li 0.75342635554532 0.77158571084697 0.17603484427874 6.941 > 7 40 Li 0.08675968887865 0.77158571084697 0.67603484427874 6.941 > 7 41 Li 0.42009302221199 0.77158571084697 0.67603484427874 6.941 > 7 42 Li 0.75342635554532 0.77158571084697 0.67603484427874 6.941 > 7 43 Li 0.08675968887865 0.72841428915303 0.42603484427874 6.941 > 8 44 Li 0.42009302221199 0.72841428915303 0.42603484427874 6.941 > 8 45 Li 0.75342635554532 0.72841428915303 0.42603484427874 6.941 > 8 46 Li 0.08675968887865 0.72841428915303 0.92603484427874 6.941 > 8 47 Li 0.42009302221199 0.72841428915303 0.92603484427874 6.941 > 8 48 Li 0.75342635554532 0.72841428915303 0.92603484427874 6.941 > 8 *49 Te 0.23785587511573 0.91567124408297 0.33975814824873 127.600 > 9 50 Te 0.57118920844907 0.91567124408297 0.33975814824873 127.600 > 9 51 Te 0.90452254178240 0.91567124408297 0.33975814824873 127.600 > 9 52 Te 0.23785587511573 0.91567124408297 0.83975814824873 127.600 > 9 53 Te 0.57118920844907 0.91567124408297 0.83975814824873 127.600 > 9 54 Te 0.90452254178240 0.91567124408297 0.83975814824873 127.600 > 9 55 Te 0.09547745821760 0.41567124408297 0.41024185175127 127.600 > 10 56 Te 0.42881079155093 0.41567124408297 0.41024185175127 127.600 > 10 57 Te 0.76214412488426 0.41567124408297 0.41024185175127 127.600 > 10 58 Te 0.09547745821760 0.41567124408297 0.91024185175127 127.600 > 10 59 Te 0.42881079155093 0.41567124408297 0.91024185175127 127.600 > 10 60 Te 0.76214412488426 0.41567124408297 0.91024185175127 127.600 > 10 61 Te 0.09547745821760 0.08432875591703 0.16024185175127 127.600 > 11 62 Te 0.42881079155093 0.08432875591703 0.16024185175127 127.600 > 11 63 Te 0.76214412488426 0.08432875591703 0.16024185175127 127.600 > 11 64 Te 0.09547745821760 0.08432875591703 0.66024185175127 127.600 > 11 65 Te 0.42881079155093 0.08432875591703 0.66024185175127 127.600 > 11 66 Te 0.76214412488426 0.08432875591703 0.66024185175127 127.600 > 11 67 Te 0.23785587511573 0.58432875591703 0.08975814824873 127.600 > 12 68 Te 0.57118920844907 0.58432875591703 0.08975814824873 127.600 > 12 69 Te 0.90452254178240 0.58432875591703 0.08975814824873 127.600 > 12 70 Te 0.23785587511573 0.58432875591703 0.58975814824873 127.600 > 12 71 Te 0.57118920844907 0.58432875591703 0.58975814824873 127.600 > 12 72 Te 0.90452254178240 0.58432875591703 0.58975814824873 127.600 > 12 *73 Se 0.24821701153397 0.07831433962918 0.44191063797250 78.960 > 13 74 Se 0.58155034486730 0.07831433962918 0.44191063797250 78.960 > 13 75 Se 0.91488367820063 0.07831433962918 0.44191063797250 78.960 > 13 76 Se 0.24821701153397 0.07831433962918 0.94191063797250 78.960 > 13 77 Se 0.58155034486730 0.07831433962918 0.94191063797250 78.960 > 13 78 Se 0.91488367820063 0.07831433962918 0.94191063797250 78.960 > 13 *79 Se 0.25697990090675 0.75149091385709 0.19162315505125 78.960 > 14 80 Se 0.59031323424009 0.75149091385709 0.19162315505125 78.960 > 14 81 Se 0.92364656757342 0.75149091385709 0.19162315505125 78.960 > 14 82 Se 0.25697990090675 0.75149091385709 0.69162315505125 78.960 > 14 83 Se 0.59031323424009 0.75149091385709 0.69162315505125 78.960 > 14 84 Se 0.92364656757342 0.75149091385709 0.69162315505125 78.960 > 14 85 Se 0.07635343242658 0.24850908614291 0.30837684494875 78.960 > 15 86 Se 0.40968676575991 0.24850908614291 0.30837684494875 78.960 > 15 87 Se 0.74302009909324 0.24850908614291 0.30837684494875 78.960 > 15 88 Se 0.07635343242658 0.24850908614291 0.80837684494875 78.960 > 15 89 Se 0.40968676575991 0.24850908614291 0.80837684494875 78.960 > 15 90 Se 0.74302009909324 0.24850908614291 0.80837684494875 78.960 > 15 91 Se 0.24821701153397 0.42168566037082 0.19191063797249 78.960 > 16 92 Se 0.58155034486730 0.42168566037082 0.19191063797249 78.960 > 16 93 Se 0.91488367820063 0.42168566037082 0.19191063797249 78.960 > 16 94 Se 0.24821701153397 0.42168566037082 0.69191063797249 78.960 > 16 95 Se 0.58155034486730 0.42168566037082 0.69191063797249 78.960 > 16 96 Se 0.91488367820063 0.42168566037082 0.69191063797249 78.960 > 16 *97 Se 0.24744050731811 0.09498879315162 0.18690514354958 78.960 > 17 98 Se 0.58077384065145 0.09498879315162 0.18690514354958 78.960 > 17 99 Se 0.91410717398478 0.09498879315162 0.18690514354958 78.960 > 17 100 Se 0.24744050731811 0.09498879315162 0.68690514354958 78.960 > 17 101 Se 0.58077384065145 0.09498879315162 0.68690514354958 78.960 > 17 102 Se 0.91410717398478 0.09498879315162 0.68690514354958 78.960 > 17 103 Se 0.08589282601522 0.90501120684838 0.31309485645042 78.960 > 18 104 Se 0.41922615934855 0.90501120684838 0.31309485645042 78.960 > 18 105 Se 0.75255949268189 0.90501120684838 0.31309485645042 78.960 > 18 106 Se 0.08589282601522 0.90501120684838 0.81309485645042 78.960 > 18 107 Se 0.41922615934855 0.90501120684838 0.81309485645042 78.960 > 18 108 Se 0.75255949268189 0.90501120684838 0.81309485645042 78.960 > 18 109 Se 0.08589282601522 0.59498879315162 0.06309485645042 78.960 > 19 110 Se 0.41922615934855 0.59498879315162 0.06309485645042 78.960 > 19 111 Se 0.75255949268189 0.59498879315162 0.06309485645042 78.960 > 19 112 Se 0.08589282601522 0.59498879315162 0.56309485645042 78.960 > 19 113 Se 0.41922615934855 0.59498879315162 0.56309485645042 78.960 > 19 114 Se 0.75255949268189 0.59498879315162 0.56309485645042 78.960 > 19 115 Se 0.08511632179937 0.92168566037082 0.05808936202750 78.960 > 20 116 Se 0.41844965513270 0.92168566037082 0.05808936202750 78.960 > 20 117 Se 0.75178298846603 0.92168566037082 0.05808936202750 78.960 > 20 118 Se 0.08511632179937 0.92168566037082 0.55808936202751 78.960 > 20 119 Se 0.41844965513270 0.92168566037082 0.55808936202751 78.960 > 20 120 Se 0.75178298846603 0.92168566037082 0.55808936202751 78.960 > 20 121 Se 0.07635343242658 0.25149091385709 0.05837684494875 78.960 > 21 122 Se 0.40968676575991 0.25149091385709 0.05837684494875 78.960 > 21 123 Se 0.74302009909324 0.25149091385709 0.05837684494875 78.960 > 21 124 Se 0.07635343242658 0.25149091385709 0.55837684494875 78.960 > 21 125 Se 0.40968676575991 0.25149091385709 0.55837684494875 78.960 > 21 126 Se 0.74302009909324 0.25149091385709 0.55837684494875 78.960 > 21 127 Se 0.25697990090675 0.74850908614291 0.44162315505125 78.960 > 22 128 Se 0.59031323424009 0.74850908614291 0.44162315505125 78.960 > 22 129 Se 0.92364656757342 0.74850908614291 0.44162315505125 78.960 > 22 130 Se 0.25697990090675 0.74850908614291 0.94162315505125 78.960 > 22 131 Se 0.59031323424009 0.74850908614291 0.94162315505125 78.960 > 22 132 Se 0.92364656757342 0.74850908614291 0.94162315505125 78.960 > 22 133 Se 0.24744050731811 0.40501120684838 0.43690514354958 78.960 > 23 134 Se 0.58077384065145 0.40501120684838 0.43690514354958 78.960 > 23 135 Se 0.91410717398478 0.40501120684838 0.43690514354958 78.960 > 23 136 Se 0.24744050731811 0.40501120684838 0.93690514354958 78.960 > 23 137 Se 0.58077384065145 0.40501120684838 0.93690514354958 78.960 > 23 138 Se 0.91410717398478 0.40501120684838 0.93690514354958 78.960 > 23 139 Se 0.08511632179937 0.57831433962918 0.30808936202750 78.960 > 24 140 Se 0.41844965513270 0.57831433962918 0.30808936202750 78.960 > 24 141 Se 0.75178298846603 0.57831433962918 0.30808936202750 78.960 > 24 142 Se 0.08511632179937 0.57831433962918 0.80808936202750 78.960 > 24 143 Se 0.41844965513270 0.57831433962918 0.80808936202750 78.960 > 24 144 Se 0.75178298846603 0.57831433962918 0.80808936202750 78.960 > 24 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 36.0694904 0.0000000 -0.1893912 0.0000000 15.1878963 0.0000000 -0.1893765 0.0000000 16.1452169 -------------------------- Born effective charges -------------------------- 1 Li 1.4257170 -0.0501492 0.0097499 0.0003740 1.7165009 -0.2713540 0.0124831 0.1172002 1.1862394 2 Li 1.4257170 0.0501492 0.0097499 -0.0003740 1.7165009 0.2713540 0.0124831 -0.1172002 1.1862394 3 Li 1.4775850 0.1998514 -0.2085962 0.0224040 1.0669731 0.0851311 -0.0483904 -0.0421004 1.3502296 4 Li 1.4775850 -0.1998514 -0.2085962 -0.0224040 1.0669731 -0.0851311 -0.0483904 0.0421004 1.3502296 5 Li 1.4775850 0.1998514 -0.2085962 0.0224040 1.0669731 0.0851311 -0.0483904 -0.0421004 1.3502296 6 Li 1.4775850 -0.1998514 -0.2085962 -0.0224040 1.0669731 -0.0851311 -0.0483904 0.0421004 1.3502296 7 Li 1.4257170 -0.0501492 0.0097499 0.0003740 1.7165009 -0.2713540 0.0124831 0.1172002 1.1862394 8 Li 1.4257170 0.0501492 0.0097499 -0.0003740 1.7165009 0.2713540 0.0124831 -0.1172002 1.1862394 9 Te 3.7061116 -0.2635036 2.2313004 -0.6484726 4.3698346 0.1430703 1.5980164 -0.8310487 4.3120087 10 Te 3.7061116 0.2635036 2.2313004 0.6484726 4.3698346 -0.1430703 1.5980164 0.8310487 4.3120087 11 Te 3.7061116 -0.2635036 2.2313004 -0.6484726 4.3698346 0.1430703 1.5980164 -0.8310487 4.3120087 12 Te 3.7061116 0.2635036 2.2313004 0.6484726 4.3698346 -0.1430703 1.5980164 0.8310487 4.3120087 13 Se -0.3775832 -0.3997503 -0.3603745 0.1978862 -2.2085124 -1.4140241 0.0278240 -0.8251801 -2.0279525 14 Se -0.4670926 -0.1899522 -0.2607286 -0.1971414 -2.9680324 -0.9655745 -0.5089472 -1.6630586 -3.0175004 15 Se -0.4670926 -0.1899522 -0.2607286 -0.1971414 -2.9680324 -0.9655745 -0.5089472 -1.6630586 -3.0175004 16 Se -0.3775832 0.3997503 -0.3603745 -0.1978862 -2.2085124 1.4140241 0.0278240 0.8251801 -2.0279525 17 Se -5.7647378 -0.2781865 -1.4113510 0.2498029 -1.9767638 0.8044975 -1.0809859 0.8830988 -1.8030247 18 Se -5.7647378 -0.2781865 -1.4113510 0.2498029 -1.9767638 0.8044975 -1.0809859 0.8830988 -1.8030247 19 Se -5.7647378 0.2781865 -1.4113510 -0.2498029 -1.9767638 -0.8044975 -1.0809859 -0.8830988 -1.8030247 20 Se -0.3775832 -0.3997503 -0.3603745 0.1978862 -2.2085124 -1.4140241 0.0278240 -0.8251801 -2.0279525 21 Se -0.4670926 0.1899522 -0.2607286 0.1971414 -2.9680324 0.9655745 -0.5089472 1.6630586 -3.0175004 22 Se -0.4670926 0.1899522 -0.2607286 0.1971414 -2.9680324 0.9655745 -0.5089472 1.6630586 -3.0175004 23 Se -5.7647378 0.2781865 -1.4113510 -0.2498029 -1.9767638 -0.8044975 -1.0809859 -0.8830988 -1.8030247 24 Se -0.3775832 0.3997503 -0.3603745 -0.1978862 -2.2085124 1.4140241 0.0278240 0.8251801 -2.0279525 ---------------------------------------------------------------------------- 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: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 720 - Time: 1.399 Solver_block: 200 / 720 - Time: 1.258 Solver_block: 300 / 720 - Time: 1.259 Solver_block: 400 / 720 - Time: 1.248 Solver_block: 500 / 720 - Time: 1.266 Solver_block: 600 / 720 - Time: 1.254 Solver_block: 700 / 720 - Time: 1.260 Solver_block: 720 / 720 - Time: 0.386 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 9.550 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 432/432 Permutation basis: 16056/16056 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4014 Number of blocks in projector: 4014 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: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 238 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 488 eigenvectors found. (1) Block: 864 / 864 (1) 352 eigenvectors found. (1) Complementary block size: 24 (1) Compute compressed projector. (1) Use standard solver. (1) 12 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 864 Use submatrix version of eigh solver. (1) Block: 500 / 864 (2) Block: 250 / 500 (2) 239 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 489 eigenvectors found. (1) Block: 864 / 864 (1) 357 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 7 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 474 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 474 Use standard eigh solver. Tree of FC basis block matrices: - (4014, 3961), data: False |-- (474, 468), data: True |-- (474, 468), data: True |-- (474, 468), data: True |-- (864, 853), data: False |-- (864, 7), data: (864, 18) @ (18, 7) |-- (364, 357), data: True |-- (500, 489), data: False |-- (500, 11), data: (500, 22) @ (22, 11) |-- (250, 239), data: True |-- (250, 239), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True |-- (864, 852), data: False |-- (864, 12), data: (864, 24) @ (24, 12) |-- (364, 352), data: True |-- (500, 488), data: False |-- (500, 10), data: (500, 22) @ (22, 10) |-- (250, 240), data: True |-- (250, 238), data: True Max drift after symmetrization by symfc projector: -0.00000000 (yy) -0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 18:48:37]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:48:38]------------------------- 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): [3 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.591179471242222 0.000000000000000 0.000000000000000 b 0.000000000000000 11.789982280000000 0.000000000000000 c -0.303983152990648 0.000000000000000 8.016882423928465 Atomic positions (fractional): 1 Li 0.73972093336404 0.22841428915303 0.64793031144253 6.941 2 Li 0.73972093336404 0.27158571084697 0.14793031144253 6.941 3 Li 0.76394169746584 0.58836680469399 0.63245115767135 6.941 4 Li 0.76394169746584 0.91163319530601 0.13245115767135 6.941 5 Li 0.23605830253415 0.41163319530601 0.36754884232865 6.941 6 Li 0.23605830253415 0.08836680469399 0.86754884232865 6.941 7 Li 0.26027906663596 0.77158571084697 0.35206968855747 6.941 8 Li 0.26027906663596 0.72841428915303 0.85206968855747 6.941 9 Te 0.71356762534720 0.91567124408297 0.67951629649747 127.600 10 Te 0.28643237465279 0.41567124408297 0.82048370350253 127.600 11 Te 0.28643237465279 0.08432875591703 0.32048370350254 127.600 12 Te 0.71356762534720 0.58432875591703 0.17951629649747 127.600 13 Se 0.74465103460190 0.07831433962918 0.88382127594499 78.960 14 Se 0.77093970272026 0.75149091385709 0.38324631010250 78.960 15 Se 0.22906029727973 0.24850908614291 0.61675368989750 78.960 16 Se 0.74465103460190 0.42168566037082 0.38382127594499 78.960 17 Se 0.74232152195434 0.09498879315162 0.37381028709916 78.960 18 Se 0.25767847804566 0.90501120684838 0.62618971290084 78.960 19 Se 0.25767847804566 0.59498879315162 0.12618971290084 78.960 20 Se 0.25534896539810 0.92168566037082 0.11617872405501 78.960 21 Se 0.22906029727973 0.25149091385709 0.11675368989750 78.960 22 Se 0.77093970272026 0.74850908614291 0.88324631010250 78.960 23 Se 0.74232152195434 0.40501120684838 0.87381028709916 78.960 24 Se 0.25534896539810 0.57831433962918 0.61617872405501 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.773538413726666 0.000000000000000 0.000000000000000 b 0.000000000000000 11.789982280000000 0.000000000000000 c -0.607966305981296 0.000000000000000 16.033764847856929 Atomic positions (fractional): 1 Li 0.24657364445468 0.22841428915303 0.32396515572126 6.941 > 1 2 Li 0.57990697778801 0.22841428915303 0.32396515572126 6.941 > 1 3 Li 0.91324031112135 0.22841428915303 0.32396515572126 6.941 > 1 4 Li 0.24657364445468 0.22841428915303 0.82396515572126 6.941 > 1 5 Li 0.57990697778801 0.22841428915303 0.82396515572126 6.941 > 1 6 Li 0.91324031112135 0.22841428915303 0.82396515572126 6.941 > 1 7 Li 0.24657364445468 0.27158571084697 0.07396515572126 6.941 > 7 8 Li 0.57990697778801 0.27158571084697 0.07396515572126 6.941 > 7 9 Li 0.91324031112135 0.27158571084697 0.07396515572126 6.941 > 7 10 Li 0.24657364445468 0.27158571084697 0.57396515572126 6.941 > 7 11 Li 0.57990697778801 0.27158571084697 0.57396515572126 6.941 > 7 12 Li 0.91324031112135 0.27158571084697 0.57396515572126 6.941 > 7 13 Li 0.25464723248861 0.58836680469399 0.31622557883568 6.941 > 13 14 Li 0.58798056582195 0.58836680469399 0.31622557883568 6.941 > 13 15 Li 0.92131389915528 0.58836680469399 0.31622557883568 6.941 > 13 16 Li 0.25464723248861 0.58836680469399 0.81622557883568 6.941 > 13 17 Li 0.58798056582195 0.58836680469399 0.81622557883568 6.941 > 13 18 Li 0.92131389915528 0.58836680469399 0.81622557883568 6.941 > 13 19 Li 0.25464723248861 0.91163319530601 0.06622557883568 6.941 > 19 20 Li 0.58798056582195 0.91163319530601 0.06622557883568 6.941 > 19 21 Li 0.92131389915528 0.91163319530601 0.06622557883568 6.941 > 19 22 Li 0.25464723248861 0.91163319530601 0.56622557883568 6.941 > 19 23 Li 0.58798056582195 0.91163319530601 0.56622557883568 6.941 > 19 24 Li 0.92131389915528 0.91163319530601 0.56622557883568 6.941 > 19 25 Li 0.07868610084472 0.41163319530601 0.18377442116432 6.941 > 25 26 Li 0.41201943417805 0.41163319530601 0.18377442116432 6.941 > 25 27 Li 0.74535276751138 0.41163319530601 0.18377442116432 6.941 > 25 28 Li 0.07868610084472 0.41163319530601 0.68377442116432 6.941 > 25 29 Li 0.41201943417805 0.41163319530601 0.68377442116432 6.941 > 25 30 Li 0.74535276751138 0.41163319530601 0.68377442116432 6.941 > 25 31 Li 0.07868610084472 0.08836680469399 0.43377442116432 6.941 > 31 32 Li 0.41201943417805 0.08836680469399 0.43377442116432 6.941 > 31 33 Li 0.74535276751138 0.08836680469399 0.43377442116432 6.941 > 31 34 Li 0.07868610084472 0.08836680469399 0.93377442116432 6.941 > 31 35 Li 0.41201943417805 0.08836680469399 0.93377442116432 6.941 > 31 36 Li 0.74535276751138 0.08836680469399 0.93377442116432 6.941 > 31 37 Li 0.08675968887865 0.77158571084697 0.17603484427874 6.941 > 37 38 Li 0.42009302221199 0.77158571084697 0.17603484427874 6.941 > 37 39 Li 0.75342635554532 0.77158571084697 0.17603484427874 6.941 > 37 40 Li 0.08675968887865 0.77158571084697 0.67603484427874 6.941 > 37 41 Li 0.42009302221199 0.77158571084697 0.67603484427874 6.941 > 37 42 Li 0.75342635554532 0.77158571084697 0.67603484427874 6.941 > 37 43 Li 0.08675968887865 0.72841428915303 0.42603484427874 6.941 > 43 44 Li 0.42009302221199 0.72841428915303 0.42603484427874 6.941 > 43 45 Li 0.75342635554532 0.72841428915303 0.42603484427874 6.941 > 43 46 Li 0.08675968887865 0.72841428915303 0.92603484427874 6.941 > 43 47 Li 0.42009302221199 0.72841428915303 0.92603484427874 6.941 > 43 48 Li 0.75342635554532 0.72841428915303 0.92603484427874 6.941 > 43 49 Te 0.23785587511573 0.91567124408297 0.33975814824873 127.600 > 49 50 Te 0.57118920844907 0.91567124408297 0.33975814824873 127.600 > 49 51 Te 0.90452254178240 0.91567124408297 0.33975814824873 127.600 > 49 52 Te 0.23785587511573 0.91567124408297 0.83975814824873 127.600 > 49 53 Te 0.57118920844907 0.91567124408297 0.83975814824873 127.600 > 49 54 Te 0.90452254178240 0.91567124408297 0.83975814824873 127.600 > 49 55 Te 0.09547745821760 0.41567124408297 0.41024185175127 127.600 > 55 56 Te 0.42881079155093 0.41567124408297 0.41024185175127 127.600 > 55 57 Te 0.76214412488426 0.41567124408297 0.41024185175127 127.600 > 55 58 Te 0.09547745821760 0.41567124408297 0.91024185175127 127.600 > 55 59 Te 0.42881079155093 0.41567124408297 0.91024185175127 127.600 > 55 60 Te 0.76214412488426 0.41567124408297 0.91024185175127 127.600 > 55 61 Te 0.09547745821760 0.08432875591703 0.16024185175127 127.600 > 61 62 Te 0.42881079155093 0.08432875591703 0.16024185175127 127.600 > 61 63 Te 0.76214412488426 0.08432875591703 0.16024185175127 127.600 > 61 64 Te 0.09547745821760 0.08432875591703 0.66024185175127 127.600 > 61 65 Te 0.42881079155093 0.08432875591703 0.66024185175127 127.600 > 61 66 Te 0.76214412488426 0.08432875591703 0.66024185175127 127.600 > 61 67 Te 0.23785587511573 0.58432875591703 0.08975814824873 127.600 > 67 68 Te 0.57118920844907 0.58432875591703 0.08975814824873 127.600 > 67 69 Te 0.90452254178240 0.58432875591703 0.08975814824873 127.600 > 67 70 Te 0.23785587511573 0.58432875591703 0.58975814824873 127.600 > 67 71 Te 0.57118920844907 0.58432875591703 0.58975814824873 127.600 > 67 72 Te 0.90452254178240 0.58432875591703 0.58975814824873 127.600 > 67 73 Se 0.24821701153397 0.07831433962918 0.44191063797250 78.960 > 73 74 Se 0.58155034486730 0.07831433962918 0.44191063797250 78.960 > 73 75 Se 0.91488367820063 0.07831433962918 0.44191063797250 78.960 > 73 76 Se 0.24821701153397 0.07831433962918 0.94191063797250 78.960 > 73 77 Se 0.58155034486730 0.07831433962918 0.94191063797250 78.960 > 73 78 Se 0.91488367820063 0.07831433962918 0.94191063797250 78.960 > 73 79 Se 0.25697990090675 0.75149091385709 0.19162315505125 78.960 > 79 80 Se 0.59031323424009 0.75149091385709 0.19162315505125 78.960 > 79 81 Se 0.92364656757342 0.75149091385709 0.19162315505125 78.960 > 79 82 Se 0.25697990090675 0.75149091385709 0.69162315505125 78.960 > 79 83 Se 0.59031323424009 0.75149091385709 0.69162315505125 78.960 > 79 84 Se 0.92364656757342 0.75149091385709 0.69162315505125 78.960 > 79 85 Se 0.07635343242658 0.24850908614291 0.30837684494875 78.960 > 85 86 Se 0.40968676575991 0.24850908614291 0.30837684494875 78.960 > 85 87 Se 0.74302009909324 0.24850908614291 0.30837684494875 78.960 > 85 88 Se 0.07635343242658 0.24850908614291 0.80837684494875 78.960 > 85 89 Se 0.40968676575991 0.24850908614291 0.80837684494875 78.960 > 85 90 Se 0.74302009909324 0.24850908614291 0.80837684494875 78.960 > 85 91 Se 0.24821701153397 0.42168566037082 0.19191063797249 78.960 > 91 92 Se 0.58155034486730 0.42168566037082 0.19191063797249 78.960 > 91 93 Se 0.91488367820063 0.42168566037082 0.19191063797249 78.960 > 91 94 Se 0.24821701153397 0.42168566037082 0.69191063797249 78.960 > 91 95 Se 0.58155034486730 0.42168566037082 0.69191063797249 78.960 > 91 96 Se 0.91488367820063 0.42168566037082 0.69191063797249 78.960 > 91 97 Se 0.24744050731811 0.09498879315162 0.18690514354958 78.960 > 97 98 Se 0.58077384065145 0.09498879315162 0.18690514354958 78.960 > 97 99 Se 0.91410717398478 0.09498879315162 0.18690514354958 78.960 > 97 100 Se 0.24744050731811 0.09498879315162 0.68690514354958 78.960 > 97 101 Se 0.58077384065145 0.09498879315162 0.68690514354958 78.960 > 97 102 Se 0.91410717398478 0.09498879315162 0.68690514354958 78.960 > 97 103 Se 0.08589282601522 0.90501120684838 0.31309485645042 78.960 > 103 104 Se 0.41922615934855 0.90501120684838 0.31309485645042 78.960 > 103 105 Se 0.75255949268189 0.90501120684838 0.31309485645042 78.960 > 103 106 Se 0.08589282601522 0.90501120684838 0.81309485645042 78.960 > 103 107 Se 0.41922615934855 0.90501120684838 0.81309485645042 78.960 > 103 108 Se 0.75255949268189 0.90501120684838 0.81309485645042 78.960 > 103 109 Se 0.08589282601522 0.59498879315162 0.06309485645042 78.960 > 109 110 Se 0.41922615934855 0.59498879315162 0.06309485645042 78.960 > 109 111 Se 0.75255949268189 0.59498879315162 0.06309485645042 78.960 > 109 112 Se 0.08589282601522 0.59498879315162 0.56309485645042 78.960 > 109 113 Se 0.41922615934855 0.59498879315162 0.56309485645042 78.960 > 109 114 Se 0.75255949268189 0.59498879315162 0.56309485645042 78.960 > 109 115 Se 0.08511632179937 0.92168566037082 0.05808936202750 78.960 > 115 116 Se 0.41844965513270 0.92168566037082 0.05808936202750 78.960 > 115 117 Se 0.75178298846603 0.92168566037082 0.05808936202750 78.960 > 115 118 Se 0.08511632179937 0.92168566037082 0.55808936202751 78.960 > 115 119 Se 0.41844965513270 0.92168566037082 0.55808936202751 78.960 > 115 120 Se 0.75178298846603 0.92168566037082 0.55808936202751 78.960 > 115 121 Se 0.07635343242658 0.25149091385709 0.05837684494875 78.960 > 121 122 Se 0.40968676575991 0.25149091385709 0.05837684494875 78.960 > 121 123 Se 0.74302009909324 0.25149091385709 0.05837684494875 78.960 > 121 124 Se 0.07635343242658 0.25149091385709 0.55837684494875 78.960 > 121 125 Se 0.40968676575991 0.25149091385709 0.55837684494875 78.960 > 121 126 Se 0.74302009909324 0.25149091385709 0.55837684494875 78.960 > 121 127 Se 0.25697990090675 0.74850908614291 0.44162315505125 78.960 > 127 128 Se 0.59031323424009 0.74850908614291 0.44162315505125 78.960 > 127 129 Se 0.92364656757342 0.74850908614291 0.44162315505125 78.960 > 127 130 Se 0.25697990090675 0.74850908614291 0.94162315505125 78.960 > 127 131 Se 0.59031323424009 0.74850908614291 0.94162315505125 78.960 > 127 132 Se 0.92364656757342 0.74850908614291 0.94162315505125 78.960 > 127 133 Se 0.24744050731811 0.40501120684838 0.43690514354958 78.960 > 133 134 Se 0.58077384065145 0.40501120684838 0.43690514354958 78.960 > 133 135 Se 0.91410717398478 0.40501120684838 0.43690514354958 78.960 > 133 136 Se 0.24744050731811 0.40501120684838 0.93690514354958 78.960 > 133 137 Se 0.58077384065145 0.40501120684838 0.93690514354958 78.960 > 133 138 Se 0.91410717398478 0.40501120684838 0.93690514354958 78.960 > 133 139 Se 0.08511632179937 0.57831433962918 0.30808936202750 78.960 > 139 140 Se 0.41844965513270 0.57831433962918 0.30808936202750 78.960 > 139 141 Se 0.75178298846603 0.57831433962918 0.30808936202750 78.960 > 139 142 Se 0.08511632179937 0.57831433962918 0.80808936202750 78.960 > 139 143 Se 0.41844965513270 0.57831433962918 0.80808936202750 78.960 > 139 144 Se 0.75178298846603 0.57831433962918 0.80808936202750 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 36.0694904 0.0000000 -0.1893912 0.0000000 15.1878963 0.0000000 -0.1893765 0.0000000 16.1452169 -------------------------- Born effective charges -------------------------- 1 Li 1.4257170 -0.0501492 0.0097499 0.0003740 1.7165009 -0.2713540 0.0124831 0.1172002 1.1862394 2 Li 1.4257170 0.0501492 0.0097499 -0.0003740 1.7165009 0.2713540 0.0124831 -0.1172002 1.1862394 3 Li 1.4775850 0.1998514 -0.2085962 0.0224040 1.0669731 0.0851311 -0.0483904 -0.0421004 1.3502296 4 Li 1.4775850 -0.1998514 -0.2085962 -0.0224040 1.0669731 -0.0851311 -0.0483904 0.0421004 1.3502296 5 Li 1.4775850 0.1998514 -0.2085962 0.0224040 1.0669731 0.0851311 -0.0483904 -0.0421004 1.3502296 6 Li 1.4775850 -0.1998514 -0.2085962 -0.0224040 1.0669731 -0.0851311 -0.0483904 0.0421004 1.3502296 7 Li 1.4257170 -0.0501492 0.0097499 0.0003740 1.7165009 -0.2713540 0.0124831 0.1172002 1.1862394 8 Li 1.4257170 0.0501492 0.0097499 -0.0003740 1.7165009 0.2713540 0.0124831 -0.1172002 1.1862394 9 Te 3.7061116 -0.2635036 2.2313004 -0.6484726 4.3698346 0.1430703 1.5980164 -0.8310487 4.3120087 10 Te 3.7061116 0.2635036 2.2313004 0.6484726 4.3698346 -0.1430703 1.5980164 0.8310487 4.3120087 11 Te 3.7061116 -0.2635036 2.2313004 -0.6484726 4.3698346 0.1430703 1.5980164 -0.8310487 4.3120087 12 Te 3.7061116 0.2635036 2.2313004 0.6484726 4.3698346 -0.1430703 1.5980164 0.8310487 4.3120087 13 Se -0.3775832 -0.3997503 -0.3603745 0.1978862 -2.2085124 -1.4140241 0.0278240 -0.8251801 -2.0279525 14 Se -0.4670926 -0.1899522 -0.2607286 -0.1971414 -2.9680324 -0.9655745 -0.5089472 -1.6630586 -3.0175004 15 Se -0.4670926 -0.1899522 -0.2607286 -0.1971414 -2.9680324 -0.9655745 -0.5089472 -1.6630586 -3.0175004 16 Se -0.3775832 0.3997503 -0.3603745 -0.1978862 -2.2085124 1.4140241 0.0278240 0.8251801 -2.0279525 17 Se -5.7647378 -0.2781865 -1.4113510 0.2498029 -1.9767638 0.8044975 -1.0809859 0.8830988 -1.8030247 18 Se -5.7647378 -0.2781865 -1.4113510 0.2498029 -1.9767638 0.8044975 -1.0809859 0.8830988 -1.8030247 19 Se -5.7647378 0.2781865 -1.4113510 -0.2498029 -1.9767638 -0.8044975 -1.0809859 -0.8830988 -1.8030247 20 Se -0.3775832 -0.3997503 -0.3603745 0.1978862 -2.2085124 -1.4140241 0.0278240 -0.8251801 -2.0279525 21 Se -0.4670926 0.1899522 -0.2607286 0.1971414 -2.9680324 0.9655745 -0.5089472 1.6630586 -3.0175004 22 Se -0.4670926 0.1899522 -0.2607286 0.1971414 -2.9680324 0.9655745 -0.5089472 1.6630586 -3.0175004 23 Se -5.7647378 0.2781865 -1.4113510 -0.2498029 -1.9767638 -0.8044975 -1.0809859 -0.8830988 -1.8030247 24 Se -0.3775832 0.3997503 -0.3603745 -0.1978862 -2.2085124 1.4140241 0.0278240 0.8251801 -2.0279525 ---------------------------------------------------------------------------- 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 13, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 79, 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] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0004 0.0000 0.0100] [ 0.0004 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) 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 2026-01-08 18:49:19]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 18:49:20]------------------------- 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): [3 1 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.591179471242222 0.000000000000000 0.000000000000000 b 0.000000000000000 11.789982280000000 0.000000000000000 c -0.303983152990648 0.000000000000000 8.016882423928465 Atomic positions (fractional): 1 Li 0.73972093336404 0.22841428915303 0.64793031144253 6.941 2 Li 0.73972093336404 0.27158571084697 0.14793031144253 6.941 3 Li 0.76394169746584 0.58836680469399 0.63245115767135 6.941 4 Li 0.76394169746584 0.91163319530601 0.13245115767135 6.941 5 Li 0.23605830253415 0.41163319530601 0.36754884232865 6.941 6 Li 0.23605830253415 0.08836680469399 0.86754884232865 6.941 7 Li 0.26027906663596 0.77158571084697 0.35206968855747 6.941 8 Li 0.26027906663596 0.72841428915303 0.85206968855747 6.941 9 Te 0.71356762534720 0.91567124408297 0.67951629649747 127.600 10 Te 0.28643237465279 0.41567124408297 0.82048370350253 127.600 11 Te 0.28643237465279 0.08432875591703 0.32048370350254 127.600 12 Te 0.71356762534720 0.58432875591703 0.17951629649747 127.600 13 Se 0.74465103460190 0.07831433962918 0.88382127594499 78.960 14 Se 0.77093970272026 0.75149091385709 0.38324631010250 78.960 15 Se 0.22906029727973 0.24850908614291 0.61675368989750 78.960 16 Se 0.74465103460190 0.42168566037082 0.38382127594499 78.960 17 Se 0.74232152195434 0.09498879315162 0.37381028709916 78.960 18 Se 0.25767847804566 0.90501120684838 0.62618971290084 78.960 19 Se 0.25767847804566 0.59498879315162 0.12618971290084 78.960 20 Se 0.25534896539810 0.92168566037082 0.11617872405501 78.960 21 Se 0.22906029727973 0.25149091385709 0.11675368989750 78.960 22 Se 0.77093970272026 0.74850908614291 0.88324631010250 78.960 23 Se 0.74232152195434 0.40501120684838 0.87381028709916 78.960 24 Se 0.25534896539810 0.57831433962918 0.61617872405501 78.960 -------------------------------- supercell --------------------------------- Lattice vectors: a 16.773538413726666 0.000000000000000 0.000000000000000 b 0.000000000000000 11.789982280000000 0.000000000000000 c -0.607966305981296 0.000000000000000 16.033764847856929 Atomic positions (fractional): 1 Li 0.24657364445468 0.22841428915303 0.32396515572126 6.941 > 1 2 Li 0.57990697778801 0.22841428915303 0.32396515572126 6.941 > 1 3 Li 0.91324031112135 0.22841428915303 0.32396515572126 6.941 > 1 4 Li 0.24657364445468 0.22841428915303 0.82396515572126 6.941 > 1 5 Li 0.57990697778801 0.22841428915303 0.82396515572126 6.941 > 1 6 Li 0.91324031112135 0.22841428915303 0.82396515572126 6.941 > 1 7 Li 0.24657364445468 0.27158571084697 0.07396515572126 6.941 > 7 8 Li 0.57990697778801 0.27158571084697 0.07396515572126 6.941 > 7 9 Li 0.91324031112135 0.27158571084697 0.07396515572126 6.941 > 7 10 Li 0.24657364445468 0.27158571084697 0.57396515572126 6.941 > 7 11 Li 0.57990697778801 0.27158571084697 0.57396515572126 6.941 > 7 12 Li 0.91324031112135 0.27158571084697 0.57396515572126 6.941 > 7 13 Li 0.25464723248861 0.58836680469399 0.31622557883568 6.941 > 13 14 Li 0.58798056582195 0.58836680469399 0.31622557883568 6.941 > 13 15 Li 0.92131389915528 0.58836680469399 0.31622557883568 6.941 > 13 16 Li 0.25464723248861 0.58836680469399 0.81622557883568 6.941 > 13 17 Li 0.58798056582195 0.58836680469399 0.81622557883568 6.941 > 13 18 Li 0.92131389915528 0.58836680469399 0.81622557883568 6.941 > 13 19 Li 0.25464723248861 0.91163319530601 0.06622557883568 6.941 > 19 20 Li 0.58798056582195 0.91163319530601 0.06622557883568 6.941 > 19 21 Li 0.92131389915528 0.91163319530601 0.06622557883568 6.941 > 19 22 Li 0.25464723248861 0.91163319530601 0.56622557883568 6.941 > 19 23 Li 0.58798056582195 0.91163319530601 0.56622557883568 6.941 > 19 24 Li 0.92131389915528 0.91163319530601 0.56622557883568 6.941 > 19 25 Li 0.07868610084472 0.41163319530601 0.18377442116432 6.941 > 25 26 Li 0.41201943417805 0.41163319530601 0.18377442116432 6.941 > 25 27 Li 0.74535276751138 0.41163319530601 0.18377442116432 6.941 > 25 28 Li 0.07868610084472 0.41163319530601 0.68377442116432 6.941 > 25 29 Li 0.41201943417805 0.41163319530601 0.68377442116432 6.941 > 25 30 Li 0.74535276751138 0.41163319530601 0.68377442116432 6.941 > 25 31 Li 0.07868610084472 0.08836680469399 0.43377442116432 6.941 > 31 32 Li 0.41201943417805 0.08836680469399 0.43377442116432 6.941 > 31 33 Li 0.74535276751138 0.08836680469399 0.43377442116432 6.941 > 31 34 Li 0.07868610084472 0.08836680469399 0.93377442116432 6.941 > 31 35 Li 0.41201943417805 0.08836680469399 0.93377442116432 6.941 > 31 36 Li 0.74535276751138 0.08836680469399 0.93377442116432 6.941 > 31 37 Li 0.08675968887865 0.77158571084697 0.17603484427874 6.941 > 37 38 Li 0.42009302221199 0.77158571084697 0.17603484427874 6.941 > 37 39 Li 0.75342635554532 0.77158571084697 0.17603484427874 6.941 > 37 40 Li 0.08675968887865 0.77158571084697 0.67603484427874 6.941 > 37 41 Li 0.42009302221199 0.77158571084697 0.67603484427874 6.941 > 37 42 Li 0.75342635554532 0.77158571084697 0.67603484427874 6.941 > 37 43 Li 0.08675968887865 0.72841428915303 0.42603484427874 6.941 > 43 44 Li 0.42009302221199 0.72841428915303 0.42603484427874 6.941 > 43 45 Li 0.75342635554532 0.72841428915303 0.42603484427874 6.941 > 43 46 Li 0.08675968887865 0.72841428915303 0.92603484427874 6.941 > 43 47 Li 0.42009302221199 0.72841428915303 0.92603484427874 6.941 > 43 48 Li 0.75342635554532 0.72841428915303 0.92603484427874 6.941 > 43 49 Te 0.23785587511573 0.91567124408297 0.33975814824873 127.600 > 49 50 Te 0.57118920844907 0.91567124408297 0.33975814824873 127.600 > 49 51 Te 0.90452254178240 0.91567124408297 0.33975814824873 127.600 > 49 52 Te 0.23785587511573 0.91567124408297 0.83975814824873 127.600 > 49 53 Te 0.57118920844907 0.91567124408297 0.83975814824873 127.600 > 49 54 Te 0.90452254178240 0.91567124408297 0.83975814824873 127.600 > 49 55 Te 0.09547745821760 0.41567124408297 0.41024185175127 127.600 > 55 56 Te 0.42881079155093 0.41567124408297 0.41024185175127 127.600 > 55 57 Te 0.76214412488426 0.41567124408297 0.41024185175127 127.600 > 55 58 Te 0.09547745821760 0.41567124408297 0.91024185175127 127.600 > 55 59 Te 0.42881079155093 0.41567124408297 0.91024185175127 127.600 > 55 60 Te 0.76214412488426 0.41567124408297 0.91024185175127 127.600 > 55 61 Te 0.09547745821760 0.08432875591703 0.16024185175127 127.600 > 61 62 Te 0.42881079155093 0.08432875591703 0.16024185175127 127.600 > 61 63 Te 0.76214412488426 0.08432875591703 0.16024185175127 127.600 > 61 64 Te 0.09547745821760 0.08432875591703 0.66024185175127 127.600 > 61 65 Te 0.42881079155093 0.08432875591703 0.66024185175127 127.600 > 61 66 Te 0.76214412488426 0.08432875591703 0.66024185175127 127.600 > 61 67 Te 0.23785587511573 0.58432875591703 0.08975814824873 127.600 > 67 68 Te 0.57118920844907 0.58432875591703 0.08975814824873 127.600 > 67 69 Te 0.90452254178240 0.58432875591703 0.08975814824873 127.600 > 67 70 Te 0.23785587511573 0.58432875591703 0.58975814824873 127.600 > 67 71 Te 0.57118920844907 0.58432875591703 0.58975814824873 127.600 > 67 72 Te 0.90452254178240 0.58432875591703 0.58975814824873 127.600 > 67 73 Se 0.24821701153397 0.07831433962918 0.44191063797250 78.960 > 73 74 Se 0.58155034486730 0.07831433962918 0.44191063797250 78.960 > 73 75 Se 0.91488367820063 0.07831433962918 0.44191063797250 78.960 > 73 76 Se 0.24821701153397 0.07831433962918 0.94191063797250 78.960 > 73 77 Se 0.58155034486730 0.07831433962918 0.94191063797250 78.960 > 73 78 Se 0.91488367820063 0.07831433962918 0.94191063797250 78.960 > 73 79 Se 0.25697990090675 0.75149091385709 0.19162315505125 78.960 > 79 80 Se 0.59031323424009 0.75149091385709 0.19162315505125 78.960 > 79 81 Se 0.92364656757342 0.75149091385709 0.19162315505125 78.960 > 79 82 Se 0.25697990090675 0.75149091385709 0.69162315505125 78.960 > 79 83 Se 0.59031323424009 0.75149091385709 0.69162315505125 78.960 > 79 84 Se 0.92364656757342 0.75149091385709 0.69162315505125 78.960 > 79 85 Se 0.07635343242658 0.24850908614291 0.30837684494875 78.960 > 85 86 Se 0.40968676575991 0.24850908614291 0.30837684494875 78.960 > 85 87 Se 0.74302009909324 0.24850908614291 0.30837684494875 78.960 > 85 88 Se 0.07635343242658 0.24850908614291 0.80837684494875 78.960 > 85 89 Se 0.40968676575991 0.24850908614291 0.80837684494875 78.960 > 85 90 Se 0.74302009909324 0.24850908614291 0.80837684494875 78.960 > 85 91 Se 0.24821701153397 0.42168566037082 0.19191063797249 78.960 > 91 92 Se 0.58155034486730 0.42168566037082 0.19191063797249 78.960 > 91 93 Se 0.91488367820063 0.42168566037082 0.19191063797249 78.960 > 91 94 Se 0.24821701153397 0.42168566037082 0.69191063797249 78.960 > 91 95 Se 0.58155034486730 0.42168566037082 0.69191063797249 78.960 > 91 96 Se 0.91488367820063 0.42168566037082 0.69191063797249 78.960 > 91 97 Se 0.24744050731811 0.09498879315162 0.18690514354958 78.960 > 97 98 Se 0.58077384065145 0.09498879315162 0.18690514354958 78.960 > 97 99 Se 0.91410717398478 0.09498879315162 0.18690514354958 78.960 > 97 100 Se 0.24744050731811 0.09498879315162 0.68690514354958 78.960 > 97 101 Se 0.58077384065145 0.09498879315162 0.68690514354958 78.960 > 97 102 Se 0.91410717398478 0.09498879315162 0.68690514354958 78.960 > 97 103 Se 0.08589282601522 0.90501120684838 0.31309485645042 78.960 > 103 104 Se 0.41922615934855 0.90501120684838 0.31309485645042 78.960 > 103 105 Se 0.75255949268189 0.90501120684838 0.31309485645042 78.960 > 103 106 Se 0.08589282601522 0.90501120684838 0.81309485645042 78.960 > 103 107 Se 0.41922615934855 0.90501120684838 0.81309485645042 78.960 > 103 108 Se 0.75255949268189 0.90501120684838 0.81309485645042 78.960 > 103 109 Se 0.08589282601522 0.59498879315162 0.06309485645042 78.960 > 109 110 Se 0.41922615934855 0.59498879315162 0.06309485645042 78.960 > 109 111 Se 0.75255949268189 0.59498879315162 0.06309485645042 78.960 > 109 112 Se 0.08589282601522 0.59498879315162 0.56309485645042 78.960 > 109 113 Se 0.41922615934855 0.59498879315162 0.56309485645042 78.960 > 109 114 Se 0.75255949268189 0.59498879315162 0.56309485645042 78.960 > 109 115 Se 0.08511632179937 0.92168566037082 0.05808936202750 78.960 > 115 116 Se 0.41844965513270 0.92168566037082 0.05808936202750 78.960 > 115 117 Se 0.75178298846603 0.92168566037082 0.05808936202750 78.960 > 115 118 Se 0.08511632179937 0.92168566037082 0.55808936202751 78.960 > 115 119 Se 0.41844965513270 0.92168566037082 0.55808936202751 78.960 > 115 120 Se 0.75178298846603 0.92168566037082 0.55808936202751 78.960 > 115 121 Se 0.07635343242658 0.25149091385709 0.05837684494875 78.960 > 121 122 Se 0.40968676575991 0.25149091385709 0.05837684494875 78.960 > 121 123 Se 0.74302009909324 0.25149091385709 0.05837684494875 78.960 > 121 124 Se 0.07635343242658 0.25149091385709 0.55837684494875 78.960 > 121 125 Se 0.40968676575991 0.25149091385709 0.55837684494875 78.960 > 121 126 Se 0.74302009909324 0.25149091385709 0.55837684494875 78.960 > 121 127 Se 0.25697990090675 0.74850908614291 0.44162315505125 78.960 > 127 128 Se 0.59031323424009 0.74850908614291 0.44162315505125 78.960 > 127 129 Se 0.92364656757342 0.74850908614291 0.44162315505125 78.960 > 127 130 Se 0.25697990090675 0.74850908614291 0.94162315505125 78.960 > 127 131 Se 0.59031323424009 0.74850908614291 0.94162315505125 78.960 > 127 132 Se 0.92364656757342 0.74850908614291 0.94162315505125 78.960 > 127 133 Se 0.24744050731811 0.40501120684838 0.43690514354958 78.960 > 133 134 Se 0.58077384065145 0.40501120684838 0.43690514354958 78.960 > 133 135 Se 0.91410717398478 0.40501120684838 0.43690514354958 78.960 > 133 136 Se 0.24744050731811 0.40501120684838 0.93690514354958 78.960 > 133 137 Se 0.58077384065145 0.40501120684838 0.93690514354958 78.960 > 133 138 Se 0.91410717398478 0.40501120684838 0.93690514354958 78.960 > 133 139 Se 0.08511632179937 0.57831433962918 0.30808936202750 78.960 > 139 140 Se 0.41844965513270 0.57831433962918 0.30808936202750 78.960 > 139 141 Se 0.75178298846603 0.57831433962918 0.30808936202750 78.960 > 139 142 Se 0.08511632179937 0.57831433962918 0.80808936202750 78.960 > 139 143 Se 0.41844965513270 0.57831433962918 0.80808936202750 78.960 > 139 144 Se 0.75178298846603 0.57831433962918 0.80808936202750 78.960 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 36.0694904 0.0000000 -0.1893912 0.0000000 15.1878963 0.0000000 -0.1893765 0.0000000 16.1452169 -------------------------- Born effective charges -------------------------- 1 Li 1.4257170 -0.0501492 0.0097499 0.0003740 1.7165009 -0.2713540 0.0124831 0.1172002 1.1862394 2 Li 1.4257170 0.0501492 0.0097499 -0.0003740 1.7165009 0.2713540 0.0124831 -0.1172002 1.1862394 3 Li 1.4775850 0.1998514 -0.2085962 0.0224040 1.0669731 0.0851311 -0.0483904 -0.0421004 1.3502296 4 Li 1.4775850 -0.1998514 -0.2085962 -0.0224040 1.0669731 -0.0851311 -0.0483904 0.0421004 1.3502296 5 Li 1.4775850 0.1998514 -0.2085962 0.0224040 1.0669731 0.0851311 -0.0483904 -0.0421004 1.3502296 6 Li 1.4775850 -0.1998514 -0.2085962 -0.0224040 1.0669731 -0.0851311 -0.0483904 0.0421004 1.3502296 7 Li 1.4257170 -0.0501492 0.0097499 0.0003740 1.7165009 -0.2713540 0.0124831 0.1172002 1.1862394 8 Li 1.4257170 0.0501492 0.0097499 -0.0003740 1.7165009 0.2713540 0.0124831 -0.1172002 1.1862394 9 Te 3.7061116 -0.2635036 2.2313004 -0.6484726 4.3698346 0.1430703 1.5980164 -0.8310487 4.3120087 10 Te 3.7061116 0.2635036 2.2313004 0.6484726 4.3698346 -0.1430703 1.5980164 0.8310487 4.3120087 11 Te 3.7061116 -0.2635036 2.2313004 -0.6484726 4.3698346 0.1430703 1.5980164 -0.8310487 4.3120087 12 Te 3.7061116 0.2635036 2.2313004 0.6484726 4.3698346 -0.1430703 1.5980164 0.8310487 4.3120087 13 Se -0.3775832 -0.3997503 -0.3603745 0.1978862 -2.2085124 -1.4140241 0.0278240 -0.8251801 -2.0279525 14 Se -0.4670926 -0.1899522 -0.2607286 -0.1971414 -2.9680324 -0.9655745 -0.5089472 -1.6630586 -3.0175004 15 Se -0.4670926 -0.1899522 -0.2607286 -0.1971414 -2.9680324 -0.9655745 -0.5089472 -1.6630586 -3.0175004 16 Se -0.3775832 0.3997503 -0.3603745 -0.1978862 -2.2085124 1.4140241 0.0278240 0.8251801 -2.0279525 17 Se -5.7647378 -0.2781865 -1.4113510 0.2498029 -1.9767638 0.8044975 -1.0809859 0.8830988 -1.8030247 18 Se -5.7647378 -0.2781865 -1.4113510 0.2498029 -1.9767638 0.8044975 -1.0809859 0.8830988 -1.8030247 19 Se -5.7647378 0.2781865 -1.4113510 -0.2498029 -1.9767638 -0.8044975 -1.0809859 -0.8830988 -1.8030247 20 Se -0.3775832 -0.3997503 -0.3603745 0.1978862 -2.2085124 -1.4140241 0.0278240 -0.8251801 -2.0279525 21 Se -0.4670926 0.1899522 -0.2607286 0.1971414 -2.9680324 0.9655745 -0.5089472 1.6630586 -3.0175004 22 Se -0.4670926 0.1899522 -0.2607286 0.1971414 -2.9680324 0.9655745 -0.5089472 1.6630586 -3.0175004 23 Se -5.7647378 0.2781865 -1.4113510 -0.2498029 -1.9767638 -0.8044975 -1.0809859 -0.8830988 -1.8030247 24 Se -0.3775832 0.3997503 -0.3603745 -0.1978862 -2.2085124 1.4140241 0.0278240 0.8251801 -2.0279525 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (xxx) 0.00000000 (xxx) 0.00000000 (xxx) Max drift of fc2: -0.00000000 (yy) -0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.51, Number of G-points: 295, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/84) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.248 ( 0.000 0.000 0.000) 0.000 1.352 ( 0.000 0.000 0.000) 0.000 1.448 ( 0.000 0.000 0.000) 0.000 1.575 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.702 ( 0.000 0.000 0.000) 0.000 1.930 ( 0.000 0.000 0.000) 0.000 1.944 ( 0.000 0.000 0.000) 0.000 2.056 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.120 ( 0.000 0.000 0.000) 0.000 2.185 ( 0.000 0.000 0.000) 0.000 2.277 ( 0.000 0.000 0.000) 0.000 2.282 ( 0.000 0.000 0.000) 0.000 2.313 ( 0.000 0.000 0.000) 0.000 2.544 ( 0.000 0.000 0.000) 0.000 2.556 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.641 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.735 ( 0.000 0.000 0.000) 0.000 2.816 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.965 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.047 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.261 ( 0.000 0.000 0.000) 0.000 3.334 ( 0.000 0.000 0.000) 0.000 3.337 ( 0.000 0.000 0.000) 0.000 3.412 ( 0.000 0.000 0.000) 0.000 3.451 ( 0.000 0.000 0.000) 0.000 4.890 ( 0.000 0.000 0.000) 0.000 4.978 ( 0.000 0.000 0.000) 0.000 5.000 ( 0.000 0.000 0.000) 0.000 5.133 ( 0.000 0.000 0.000) 0.000 5.189 ( 0.000 0.000 0.000) 0.000 5.209 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.268 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 0.000 0.000) 0.000 5.598 ( 0.000 0.000 0.000) 0.000 5.619 ( 0.000 0.000 0.000) 0.000 5.645 ( 0.000 0.000 0.000) 0.000 5.901 ( 0.000 0.000 0.000) 0.000 5.970 ( 0.000 0.000 0.000) 0.000 5.982 ( 0.000 0.000 0.000) 0.000 6.058 ( 0.000 0.000 0.000) 0.000 6.135 ( 0.000 0.000 0.000) 0.000 6.183 ( 0.000 0.000 0.000) 0.000 6.211 ( 0.000 0.000 0.000) 0.000 6.225 ( 0.000 0.000 0.000) 0.000 6.370 ( 0.000 0.000 0.000) 0.000 6.406 ( 0.000 0.000 0.000) 0.000 6.443 ( 0.000 0.000 0.000) 0.000 6.557 ( 0.000 0.000 0.000) 0.000 7.211 ( 0.000 0.000 0.000) 0.000 7.219 ( 0.000 0.000 0.000) 0.000 7.254 ( 0.000 0.000 0.000) 0.000 7.410 ( 0.000 0.000 0.000) 0.000 7.528 ( 0.000 0.000 0.000) 0.000 7.801 ( 0.000 0.000 0.000) 0.000 8.013 ( 0.000 0.000 0.000) 0.000 8.095 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.525 ( 0.000 0.000 0.000) 0.000 8.639 ( 0.000 0.000 0.000) 0.000 8.848 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/84) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.387 ( 18.901 0.000 4.032) 19.327 0.396 ( 19.302 0.000 5.691) 20.123 0.711 ( 33.936 0.000 4.011) 34.172 1.310 ( 5.843 0.000 2.865) 6.508 1.448 ( 7.256 0.000 2.953) 7.834 1.536 ( 6.629 0.000 -1.947) 6.909 1.646 ( 4.372 0.000 -1.805) 4.730 1.670 ( 6.325 0.000 -1.000) 6.404 1.672 ( -4.545 0.000 -7.646) 8.895 1.745 ( 5.161 0.000 -0.671) 5.204 1.824 ( 0.475 0.000 -0.931) 1.045 1.868 ( -8.157 0.000 1.648) 8.322 2.030 ( -2.862 0.000 2.543) 3.828 2.076 ( 1.494 0.000 1.143) 1.882 2.184 ( -3.237 0.000 -0.344) 3.255 2.202 ( 5.283 0.000 2.949) 6.050 2.296 ( 3.761 0.000 -1.370) 4.002 2.368 ( 5.286 0.000 -5.336) 7.511 2.414 ( 6.792 0.000 5.304) 8.618 2.468 ( -1.504 0.000 -2.079) 2.566 2.591 ( 1.641 0.000 2.649) 3.116 2.657 ( 3.568 0.000 -1.197) 3.764 2.677 ( 1.482 0.000 -1.706) 2.260 2.745 ( 1.372 0.000 0.779) 1.578 2.770 ( 2.908 0.000 0.444) 2.942 2.841 ( 2.208 0.000 -0.683) 2.312 2.878 ( 3.690 0.000 -1.402) 3.947 2.963 ( 0.055 0.000 -0.647) 0.649 3.038 ( 1.010 0.000 0.289) 1.051 3.054 ( -0.777 0.000 2.272) 2.401 3.098 ( -1.886 0.000 -0.724) 2.020 3.268 ( -1.567 0.000 1.473) 2.151 3.302 ( -3.139 0.000 0.207) 3.146 3.334 ( -0.059 0.000 -0.102) 0.118 3.357 ( -4.563 0.000 -1.179) 4.713 3.423 ( -2.480 0.000 0.813) 2.609 5.036 ( 13.398 0.000 0.095) 13.398 5.118 ( 7.676 0.000 0.603) 7.700 5.136 ( 13.213 0.000 0.664) 13.230 5.178 ( 7.110 0.000 -1.814) 7.337 5.237 ( 1.167 0.000 -1.732) 2.089 5.299 ( 7.870 0.000 0.127) 7.871 5.305 ( 3.627 0.000 -0.518) 3.664 5.573 ( 3.360 0.000 0.340) 3.377 5.599 ( 1.095 0.000 1.206) 1.629 5.633 ( 1.984 0.000 0.782) 2.133 5.642 ( 0.628 0.000 2.954) 3.020 5.805 ( 3.560 0.000 4.635) 5.845 5.932 ( -2.356 0.000 1.013) 2.565 5.949 ( -2.663 0.000 2.912) 3.946 6.073 ( 1.462 0.000 -1.578) 2.151 6.127 ( -0.153 0.000 -1.107) 1.118 6.149 ( -0.737 0.000 1.696) 1.849 6.231 ( 0.197 0.000 1.211) 1.227 6.262 ( 5.129 0.000 -7.386) 8.992 6.401 ( 6.754 0.000 14.721) 16.196 6.422 ( 6.174 0.000 -0.506) 6.194 6.484 ( 3.190 0.000 -1.490) 3.520 6.514 ( 8.660 0.000 -0.388) 8.669 6.683 ( 11.087 0.000 -3.218) 11.545 7.270 ( 4.620 0.000 2.729) 5.366 7.272 ( 5.560 0.000 -0.546) 5.587 7.321 ( 6.414 0.000 -3.381) 7.250 7.419 ( 0.923 0.000 -1.045) 1.394 7.545 ( 1.961 0.000 1.364) 2.389 7.858 ( 5.395 0.000 0.732) 5.444 8.048 ( 3.595 0.000 -0.324) 3.610 8.109 ( 1.547 0.000 -0.053) 1.548 8.166 ( 2.368 0.000 -0.297) 2.386 8.528 ( 0.476 0.000 0.598) 0.765 8.686 ( 4.819 0.000 -0.622) 4.859 8.894 ( 4.964 0.000 1.972) 5.342 ======================= Grid point 2 (3/84) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 16.844 0.000 2.752) 17.068 0.763 ( 16.821 0.000 4.682) 17.461 1.303 ( 23.053 0.000 -0.218) 23.054 1.464 ( 8.463 0.000 5.246) 9.957 1.515 ( -2.602 0.000 -0.901) 2.754 1.612 ( 2.464 0.000 -0.498) 2.514 1.615 ( 2.189 0.000 -5.394) 5.821 1.724 ( -5.330 0.000 -0.115) 5.331 1.739 ( 4.095 0.000 -0.983) 4.212 1.774 ( 2.932 0.000 1.282) 3.200 1.896 ( 7.475 0.000 1.089) 7.554 1.927 ( 6.625 0.000 -0.656) 6.658 2.061 ( 3.534 0.000 2.001) 4.061 2.136 ( 4.630 0.000 -1.116) 4.763 2.160 ( 4.125 0.000 -0.839) 4.209 2.242 ( 0.897 0.000 0.787) 1.193 2.393 ( 3.215 0.000 1.331) 3.480 2.439 ( 2.893 0.000 -4.260) 5.150 2.442 ( 1.052 0.000 1.677) 1.979 2.553 ( 3.339 0.000 -0.949) 3.471 2.619 ( 1.653 0.000 0.322) 1.684 2.703 ( 2.087 0.000 0.068) 2.088 2.742 ( -1.206 0.000 -1.359) 1.817 2.770 ( 5.190 0.000 2.794) 5.894 2.813 ( 1.577 0.000 0.408) 1.629 2.867 ( 0.340 0.000 -0.803) 0.872 2.951 ( -2.140 0.000 -2.521) 3.307 2.951 ( 3.482 0.000 -1.185) 3.678 3.056 ( -0.469 0.000 -1.473) 1.546 3.083 ( 3.535 0.000 1.184) 3.728 3.113 ( 5.506 0.000 2.567) 6.075 3.221 ( -3.564 0.000 0.346) 3.581 3.264 ( -2.961 0.000 -1.829) 3.480 3.278 ( 2.324 0.000 0.627) 2.407 3.349 ( 1.152 0.000 0.037) 1.153 3.384 ( -0.808 0.000 0.488) 0.944 5.210 ( 3.472 0.000 -0.574) 3.519 5.254 ( 2.152 0.000 0.129) 2.156 5.275 ( 1.447 0.000 -1.281) 1.933 5.345 ( 13.262 0.000 0.670) 13.279 5.348 ( 5.156 0.000 -0.591) 5.189 5.529 ( 14.578 0.000 -1.199) 14.628 5.534 ( 15.129 0.000 -1.962) 15.256 5.610 ( 0.720 0.000 0.976) 1.213 5.661 ( 7.193 0.000 -0.387) 7.204 5.718 ( 6.452 0.000 1.517) 6.628 5.739 ( 7.899 0.000 2.368) 8.247 5.854 ( 0.144 0.000 0.579) 0.597 5.920 ( 0.516 0.000 1.803) 1.875 5.927 ( 1.817 0.000 -0.243) 1.833 6.107 ( 1.991 0.000 -1.865) 2.728 6.131 ( 0.601 0.000 0.537) 0.806 6.171 ( 2.990 0.000 3.078) 4.291 6.239 ( 0.627 0.000 0.604) 0.871 6.337 ( 3.463 0.000 -4.338) 5.550 6.533 ( 6.725 0.000 -0.639) 6.755 6.590 ( 9.951 0.000 -1.021) 10.004 6.655 ( 12.182 0.000 3.515) 12.680 6.708 ( 10.197 0.000 0.057) 10.197 6.953 ( 14.921 0.000 -0.001) 14.921 7.384 ( 6.143 0.000 2.058) 6.479 7.385 ( 4.683 0.000 -0.515) 4.712 7.443 ( 1.470 0.000 -1.095) 1.833 7.480 ( 9.051 0.000 -3.120) 9.574 7.625 ( 6.230 0.000 1.453) 6.397 7.988 ( 6.364 0.000 1.284) 6.492 8.159 ( 7.508 0.000 -0.371) 7.517 8.166 ( 4.512 0.000 -1.012) 4.624 8.236 ( 4.651 0.000 -0.015) 4.651 8.556 ( 2.419 0.000 1.042) 2.634 8.828 ( 9.317 0.000 -0.613) 9.337 9.043 ( 9.044 0.000 2.753) 9.453 ======================= Grid point 3 (4/84) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.049 ( 12.964 0.000 0.962) 12.999 1.055 ( 11.937 0.000 3.300) 12.385 1.431 ( -2.388 0.000 -4.683) 5.257 1.523 ( -1.123 0.000 1.779) 2.104 1.592 ( 2.064 0.000 5.143) 5.542 1.606 ( -2.861 0.000 -1.741) 3.349 1.665 ( 4.020 0.000 -2.495) 4.731 1.759 ( -0.385 0.000 3.244) 3.267 1.819 ( 11.897 0.000 0.624) 11.914 1.861 ( 4.912 0.000 0.575) 4.945 1.963 ( 1.699 0.000 -3.850) 4.208 2.029 ( 3.494 0.000 -2.011) 4.032 2.140 ( 2.725 0.000 2.310) 3.572 2.205 ( 2.068 0.000 0.383) 2.103 2.267 ( 2.449 0.000 0.040) 2.449 2.276 ( 1.171 0.000 -0.120) 1.177 2.425 ( 1.111 0.000 -0.112) 1.117 2.467 ( 1.969 0.000 -1.105) 2.258 2.484 ( 1.732 0.000 0.567) 1.823 2.629 ( 5.304 0.000 -0.657) 5.344 2.661 ( 1.080 0.000 -1.519) 1.864 2.697 ( -2.810 0.000 1.339) 3.113 2.728 ( 2.080 0.000 -0.252) 2.095 2.810 ( -0.423 0.000 0.633) 0.761 2.846 ( -3.127 0.000 -2.961) 4.306 2.882 ( 4.632 0.000 0.409) 4.650 2.900 ( -0.379 0.000 -0.623) 0.730 3.035 ( 3.327 0.000 2.546) 4.190 3.081 ( 2.629 0.000 -2.406) 3.563 3.161 ( -0.644 0.000 -0.279) 0.701 3.162 ( 3.886 0.000 1.721) 4.250 3.250 ( 6.275 0.000 1.802) 6.528 3.251 ( 1.031 0.000 -2.817) 3.000 3.362 ( 5.071 0.000 0.991) 5.167 3.377 ( 1.424 0.000 0.331) 1.462 3.394 ( 1.374 0.000 -0.003) 1.374 5.259 ( 1.501 0.000 -0.653) 1.637 5.273 ( -0.748 0.000 -0.246) 0.787 5.287 ( 1.432 0.000 -0.430) 1.495 5.402 ( 1.394 0.000 -1.026) 1.731 5.563 ( 8.104 0.000 0.298) 8.110 5.620 ( 1.062 0.000 0.053) 1.063 5.683 ( 4.443 0.000 -0.551) 4.477 5.800 ( 8.328 0.000 0.268) 8.333 5.845 ( 2.181 0.000 2.336) 3.196 5.845 ( 0.305 0.000 -0.717) 0.779 5.882 ( 8.260 0.000 0.635) 8.285 5.902 ( 11.423 0.000 0.826) 11.453 5.953 ( 1.611 0.000 -0.008) 1.611 5.978 ( 2.980 0.000 -0.794) 3.084 6.150 ( 1.193 0.000 -0.812) 1.443 6.181 ( 6.244 0.000 0.912) 6.310 6.236 ( 2.178 0.000 0.880) 2.349 6.263 ( 1.973 0.000 -0.713) 2.098 6.427 ( 6.115 0.000 -2.093) 6.463 6.667 ( 5.887 0.000 -0.700) 5.929 6.783 ( 8.832 0.000 -0.717) 8.861 6.894 ( 7.841 0.000 0.341) 7.849 6.924 ( 14.011 0.000 0.252) 14.014 7.210 ( 9.377 0.000 1.178) 9.450 7.444 ( 1.625 0.000 -0.754) 1.792 7.474 ( 1.575 0.000 -0.340) 1.611 7.503 ( 5.323 0.000 1.167) 5.449 7.645 ( 7.196 0.000 -2.259) 7.542 7.779 ( 8.486 0.000 1.305) 8.586 8.070 ( 1.777 0.000 0.485) 1.842 8.287 ( 6.844 0.000 -1.174) 6.944 8.336 ( 9.763 0.000 -0.311) 9.768 8.339 ( 5.169 0.000 0.442) 5.188 8.613 ( 2.537 0.000 1.142) 2.782 9.034 ( 10.611 0.000 -0.445) 10.620 9.215 ( 7.088 0.000 2.470) 7.506 ======================= Grid point 4 (5/84) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 4.906 0.000 1.466) 5.121 1.245 ( 5.882 0.000 -0.189) 5.885 1.391 ( -1.220 0.000 -1.721) 2.109 1.478 ( -1.827 0.000 1.153) 2.160 1.550 ( -1.974 0.000 -1.801) 2.672 1.586 ( -1.350 0.000 1.670) 2.147 1.722 ( 1.359 0.000 0.276) 1.387 1.756 ( -0.134 0.000 1.835) 1.840 1.958 ( 3.887 0.000 3.222) 5.049 1.990 ( 3.706 0.000 0.996) 3.838 1.991 ( 0.734 0.000 -5.364) 5.414 2.094 ( 4.784 0.000 -4.133) 6.322 2.160 ( 0.134 0.000 2.279) 2.282 2.211 ( -2.474 0.000 2.870) 3.789 2.237 ( -2.894 0.000 -1.965) 3.498 2.257 ( -1.539 0.000 -0.198) 1.552 2.457 ( 2.046 0.000 0.082) 2.048 2.494 ( -1.076 0.000 -0.160) 1.088 2.521 ( 1.900 0.000 -0.725) 2.033 2.641 ( -1.071 0.000 2.623) 2.833 2.690 ( 2.575 0.000 -1.061) 2.785 2.715 ( 0.905 0.000 -1.742) 1.963 2.755 ( -1.168 0.000 1.005) 1.541 2.792 ( -0.316 0.000 -0.589) 0.668 2.830 ( 2.288 0.000 -0.372) 2.318 2.913 ( 0.815 0.000 -0.217) 0.844 2.960 ( 2.238 0.000 -0.224) 2.250 3.049 ( -0.835 0.000 0.624) 1.042 3.108 ( 0.612 0.000 -0.815) 1.020 3.199 ( 2.180 0.000 0.519) 2.241 3.223 ( 1.635 0.000 1.900) 2.507 3.269 ( 0.710 0.000 -2.573) 2.669 3.348 ( 2.827 0.000 0.597) 2.889 3.400 ( 0.738 0.000 0.235) 0.775 3.419 ( 0.789 0.000 0.014) 0.789 3.444 ( 2.356 0.000 0.484) 2.405 5.259 ( -0.473 0.000 -0.036) 0.474 5.273 ( 0.208 0.000 -0.298) 0.364 5.308 ( 0.586 0.000 -0.204) 0.620 5.419 ( 0.440 0.000 -0.476) 0.649 5.639 ( 0.605 0.000 0.167) 0.628 5.672 ( 2.881 0.000 0.185) 2.887 5.748 ( 1.856 0.000 -0.240) 1.871 5.837 ( -0.094 0.000 0.112) 0.146 5.869 ( 0.496 0.000 0.872) 1.004 5.907 ( 2.260 0.000 -0.194) 2.268 5.933 ( 0.261 0.000 -0.069) 0.270 5.984 ( -0.062 0.000 0.092) 0.111 6.056 ( 3.470 0.000 0.383) 3.491 6.056 ( 3.600 0.000 0.378) 3.620 6.165 ( 0.419 0.000 -0.641) 0.766 6.256 ( 0.301 0.000 -0.264) 0.401 6.297 ( 3.391 0.000 1.269) 3.621 6.309 ( 2.027 0.000 -1.457) 2.496 6.540 ( 3.889 0.000 -0.591) 3.933 6.745 ( 1.925 0.000 -0.098) 1.928 6.912 ( 3.591 0.000 -0.259) 3.600 7.003 ( 2.869 0.000 0.199) 2.876 7.167 ( 9.066 0.000 -0.901) 9.110 7.299 ( -0.220 0.000 1.067) 1.089 7.461 ( 0.334 0.000 -0.351) 0.484 7.496 ( 0.551 0.000 0.049) 0.553 7.581 ( 2.156 0.000 0.371) 2.187 7.745 ( 2.712 0.000 -0.837) 2.839 7.936 ( 6.096 0.000 0.834) 6.153 8.068 ( -1.709 0.000 -0.249) 1.727 8.393 ( 3.175 0.000 -0.886) 3.296 8.415 ( 1.962 0.000 0.638) 2.063 8.511 ( 6.764 0.000 -0.432) 6.778 8.632 ( -1.011 0.000 0.844) 1.317 9.210 ( 5.995 0.000 -0.647) 6.029 9.301 ( 1.181 0.000 1.459) 1.877 ======================= Grid point 9 (6/84) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.371 ( 0.000 17.581 0.000) 17.581 0.446 ( 0.000 21.343 0.000) 21.343 0.661 ( 0.000 29.723 0.000) 29.723 1.068 ( 0.000 -13.060 0.000) 13.060 1.296 ( 0.000 -12.435 0.000) 12.435 1.468 ( 0.000 1.862 0.000) 1.862 1.559 ( 0.000 -1.442 0.000) 1.442 1.587 ( 0.000 2.536 0.000) 2.536 1.657 ( 0.000 -8.307 0.000) 8.307 1.733 ( 0.000 2.936 0.000) 2.936 1.826 ( 0.000 -6.770 0.000) 6.770 1.971 ( 0.000 -7.684 0.000) 7.684 2.004 ( 0.000 4.225 0.000) 4.225 2.104 ( 0.000 4.148 0.000) 4.148 2.128 ( 0.000 -4.306 0.000) 4.306 2.203 ( 0.000 3.305 0.000) 3.305 2.266 ( 0.000 -0.562 0.000) 0.562 2.346 ( 0.000 1.053 0.000) 1.053 2.359 ( 0.000 5.179 0.000) 5.179 2.485 ( 0.000 -4.486 0.000) 4.486 2.594 ( 0.000 -1.152 0.000) 1.152 2.618 ( 0.000 2.009 0.000) 2.009 2.666 ( 0.000 1.708 0.000) 1.708 2.675 ( 0.000 0.865 0.000) 0.865 2.756 ( 0.000 1.207 0.000) 1.207 2.806 ( 0.000 -1.049 0.000) 1.049 2.830 ( 0.000 -1.099 0.000) 1.099 3.012 ( 0.000 -6.395 0.000) 6.395 3.063 ( 0.000 1.394 0.000) 1.394 3.075 ( 0.000 3.073 0.000) 3.073 3.128 ( 0.000 -0.412 0.000) 0.412 3.214 ( 0.000 -5.513 0.000) 5.513 3.280 ( 0.000 2.011 0.000) 2.011 3.392 ( 0.000 -1.129 0.000) 1.129 3.452 ( 0.000 2.028 0.000) 2.028 3.463 ( 0.000 0.857 0.000) 0.857 4.898 ( 0.000 0.747 0.000) 0.747 4.952 ( 0.000 -1.561 0.000) 1.561 5.030 ( 0.000 1.917 0.000) 1.917 5.116 ( 0.000 -1.570 0.000) 1.570 5.188 ( 0.000 0.202 0.000) 0.202 5.206 ( 0.000 -0.289 0.000) 0.289 5.245 ( 0.000 0.786 0.000) 0.786 5.266 ( 0.000 -0.200 0.000) 0.200 5.568 ( 0.000 2.424 0.000) 2.424 5.608 ( 0.000 0.869 0.000) 0.869 5.640 ( 0.000 -0.417 0.000) 0.417 5.648 ( 0.000 -0.386 0.000) 0.386 5.911 ( 0.000 0.929 0.000) 0.929 5.962 ( 0.000 -0.826 0.000) 0.826 6.060 ( 0.000 0.166 0.000) 0.166 6.069 ( 0.000 -0.275 0.000) 0.275 6.192 ( 0.000 0.754 0.000) 0.754 6.209 ( 0.000 0.024 0.000) 0.024 6.231 ( 0.000 -0.096 0.000) 0.096 6.232 ( 0.000 -0.792 0.000) 0.792 6.367 ( 0.000 -0.594 0.000) 0.594 6.494 ( 0.000 -4.740 0.000) 4.740 6.532 ( 0.000 5.943 0.000) 5.943 6.868 ( 0.000 -8.430 0.000) 8.430 7.296 ( 0.000 5.604 0.000) 5.604 7.305 ( 0.000 3.889 0.000) 3.889 7.421 ( 0.000 1.093 0.000) 1.093 7.464 ( 0.000 5.973 0.000) 5.973 7.507 ( 0.000 -1.094 0.000) 1.094 7.751 ( 0.000 -4.541 0.000) 4.541 8.110 ( 0.000 1.134 0.000) 1.134 8.130 ( 0.000 -0.547 0.000) 0.547 8.343 ( 0.000 2.295 0.000) 2.295 8.481 ( 0.000 -3.676 0.000) 3.676 8.811 ( 0.000 -0.708 0.000) 0.708 8.833 ( 0.000 -1.191 0.000) 1.191 ======================= Grid point 10 (7/84) ======================= q-point: ( 0.11 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.545 ( 11.299 15.253 -7.675) 20.475 0.598 ( 15.718 12.352 8.201) 21.608 0.941 ( 22.393 18.762 4.954) 29.631 1.158 ( 7.773 -11.935 1.472) 14.318 1.316 ( 3.103 -13.338 -1.373) 13.762 1.519 ( 3.059 0.401 -0.143) 3.089 1.642 ( 5.886 0.861 0.221) 5.953 1.664 ( 5.533 1.534 0.642) 5.778 1.703 ( 4.716 -2.531 -4.056) 6.715 1.758 ( 4.753 -3.435 2.271) 6.288 1.819 ( 1.718 2.438 -2.244) 3.732 1.896 ( -5.433 1.351 0.306) 5.607 2.034 ( 1.324 -1.787 -0.869) 2.388 2.051 ( -2.795 1.525 -1.106) 3.371 2.135 ( 0.413 -3.592 1.521) 3.922 2.177 ( -1.303 -1.594 3.910) 4.419 2.289 ( 1.343 -0.489 0.674) 1.580 2.372 ( 6.744 -2.925 0.902) 7.406 2.409 ( 3.657 3.292 -2.687) 5.607 2.488 ( 0.561 1.117 -1.206) 1.737 2.619 ( -0.419 1.470 1.685) 2.275 2.655 ( 2.456 -2.031 1.011) 3.344 2.671 ( 1.811 -0.017 -1.666) 2.460 2.722 ( 3.903 1.842 -0.182) 4.320 2.782 ( 1.006 0.614 -0.213) 1.198 2.810 ( 2.033 -1.587 -1.753) 3.119 2.888 ( 4.295 -0.369 0.388) 4.328 2.974 ( -1.051 -2.188 -0.105) 2.429 3.035 ( -3.285 0.547 1.279) 3.567 3.060 ( -1.279 -1.584 -1.300) 2.415 3.102 ( 1.453 2.299 0.661) 2.798 3.199 ( -1.198 -4.703 0.058) 4.854 3.272 ( -1.307 1.338 0.713) 2.001 3.357 ( -2.638 -0.402 -0.356) 2.692 3.407 ( -3.337 2.366 -0.693) 4.149 3.430 ( -2.942 0.488 0.531) 3.029 5.047 ( 13.610 0.995 0.141) 13.647 5.106 ( 12.260 -1.091 0.647) 12.325 5.139 ( 8.833 0.338 0.136) 8.841 5.167 ( 6.348 -0.802 -1.228) 6.515 5.242 ( 0.723 0.282 -1.495) 1.684 5.265 ( 3.252 -1.171 0.179) 3.461 5.354 ( 10.222 2.765 0.228) 10.591 5.548 ( 11.181 -6.083 4.232) 13.414 5.603 ( 2.532 1.038 -0.024) 2.737 5.618 ( 3.320 1.589 1.795) 4.095 5.654 ( 1.290 0.173 0.807) 1.532 5.694 ( 7.689 -4.199 1.441) 8.879 5.931 ( 0.803 0.155 0.279) 0.864 5.940 ( -0.951 0.422 0.812) 1.320 6.002 ( -1.986 -0.899 -1.632) 2.723 6.079 ( 0.652 -2.690 0.282) 2.782 6.194 ( -0.055 1.411 0.722) 1.586 6.241 ( 0.814 0.222 1.510) 1.730 6.279 ( 4.639 0.924 -3.369) 5.807 6.311 ( 6.039 -0.947 0.618) 6.144 6.406 ( 4.487 -1.642 1.941) 5.157 6.515 ( 2.985 -3.469 -1.867) 4.943 6.621 ( 8.236 5.426 -0.777) 9.893 6.866 ( 2.608 4.044 1.122) 4.941 7.258 ( -1.097 6.827 1.017) 6.989 7.353 ( 4.677 4.902 1.408) 6.920 7.409 ( 4.038 4.102 -0.255) 5.762 7.434 ( 1.702 2.320 -2.350) 3.715 7.518 ( 1.417 -1.069 0.433) 1.827 7.787 ( 3.534 -6.441 0.243) 7.350 8.119 ( 0.253 1.797 -0.384) 1.855 8.127 ( 1.323 1.256 0.238) 1.840 8.249 ( 1.059 8.134 0.183) 8.205 8.482 ( 0.386 -4.013 0.477) 4.060 8.698 ( 1.817 1.530 -0.139) 2.380 8.857 ( 3.607 -3.334 1.777) 5.223 ======================= Grid point 11 (8/84) ======================= q-point: ( 0.22 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.822 ( 15.306 7.962 -4.312) 17.784 0.902 ( 13.682 9.608 8.068) 18.564 1.293 ( 5.373 -10.004 -4.212) 12.111 1.369 ( 14.575 2.708 1.758) 14.929 1.426 ( 7.285 -8.029 4.183) 11.620 1.607 ( 7.971 2.502 1.978) 8.585 1.663 ( 0.452 2.919 -0.877) 3.081 1.754 ( 1.871 0.789 1.787) 2.705 1.783 ( -2.987 3.894 -0.117) 4.910 1.814 ( 2.679 2.161 -3.205) 4.703 1.917 ( 6.639 0.796 -2.398) 7.103 1.932 ( 7.554 -0.179 1.198) 7.650 2.027 ( -0.174 -3.135 -0.774) 3.234 2.107 ( 4.670 -3.161 -1.873) 5.942 2.148 ( 4.949 -0.383 0.757) 5.021 2.177 ( 2.142 -3.709 1.680) 4.600 2.383 ( 4.814 0.882 2.936) 5.707 2.461 ( 2.174 1.734 -2.797) 3.944 2.493 ( 2.062 0.886 2.556) 3.402 2.518 ( 4.166 -2.032 -2.779) 5.404 2.617 ( 0.622 0.306 1.080) 1.283 2.679 ( 0.146 -3.365 0.366) 3.388 2.710 ( 1.799 -0.254 -0.363) 1.853 2.782 ( 1.049 1.042 0.069) 1.480 2.811 ( 2.288 0.279 -0.275) 2.321 2.850 ( 2.314 -1.249 -1.158) 2.873 2.953 ( 0.811 -0.743 -0.517) 1.216 2.968 ( -1.137 1.076 -0.732) 1.728 2.995 ( 0.448 -3.061 -0.220) 3.102 3.050 ( 1.414 -3.270 -0.449) 3.590 3.153 ( 2.452 0.469 1.893) 3.133 3.199 ( 2.658 0.079 -0.550) 2.715 3.261 ( 0.664 0.608 0.280) 0.942 3.293 ( -2.204 1.362 -0.513) 2.641 3.373 ( 0.055 0.878 -0.294) 0.928 3.381 ( -1.235 -0.329 -0.090) 1.282 5.206 ( 2.422 0.192 -1.250) 2.733 5.260 ( 1.598 -0.534 -1.230) 2.086 5.284 ( 3.375 0.865 0.040) 3.484 5.322 ( 5.322 -1.255 1.261) 5.612 5.363 ( 13.624 1.447 0.041) 13.701 5.475 ( 16.808 -3.286 -0.755) 17.143 5.572 ( 7.994 2.068 -1.224) 8.348 5.610 ( 1.077 0.146 -0.986) 1.467 5.697 ( 8.883 1.546 0.273) 9.020 5.716 ( 5.321 0.376 0.822) 5.397 5.767 ( 9.494 2.081 2.691) 10.085 5.846 ( 3.075 -0.302 1.760) 3.556 5.932 ( 0.720 0.806 -0.585) 1.230 5.945 ( 2.291 2.136 1.160) 3.341 6.052 ( 5.813 -3.987 -0.496) 7.066 6.099 ( 1.595 -2.950 0.230) 3.362 6.205 ( 1.674 2.349 0.946) 3.035 6.263 ( 1.623 1.421 1.417) 2.581 6.342 ( 2.533 0.061 -2.434) 3.514 6.429 ( 5.550 -4.426 -1.553) 7.267 6.570 ( 11.503 -2.265 1.350) 11.802 6.644 ( 9.755 -1.161 -1.454) 9.931 6.819 ( 10.655 5.934 -0.611) 12.212 7.021 ( 11.010 5.866 1.860) 12.613 7.336 ( 6.334 -1.601 -0.275) 6.538 7.448 ( 1.542 0.682 -1.828) 2.487 7.479 ( 7.307 6.169 1.267) 9.646 7.517 ( 3.623 -2.065 1.237) 4.350 7.609 ( 8.051 4.049 -1.825) 9.195 7.878 ( 4.862 -9.548 0.937) 10.755 8.163 ( 3.869 1.235 -0.252) 4.069 8.185 ( 4.719 1.707 -0.514) 5.044 8.350 ( 7.571 6.932 -0.192) 10.267 8.519 ( 3.433 -3.314 1.290) 4.943 8.814 ( 8.654 -0.273 -0.241) 8.661 8.991 ( 8.820 -4.629 2.384) 10.242 ======================= Grid point 12 (9/84) ======================= q-point: ( 0.33 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( 11.183 4.070 -1.684) 12.019 1.145 ( 10.101 6.656 4.802) 13.016 1.357 ( 2.119 -5.499 -4.372) 7.338 1.473 ( 0.394 -5.870 4.010) 7.120 1.566 ( 3.825 2.179 3.364) 5.541 1.659 ( -0.856 2.777 -0.078) 2.907 1.742 ( 0.868 4.914 -2.826) 5.735 1.770 ( 0.729 1.445 3.743) 4.078 1.833 ( 5.776 0.651 -2.237) 6.228 1.849 ( 2.586 -1.602 0.714) 3.125 1.988 ( 5.678 1.789 -4.159) 7.262 2.026 ( 2.862 0.215 -2.388) 3.734 2.109 ( 3.510 -2.489 3.388) 5.476 2.168 ( 1.825 -3.962 0.133) 4.365 2.209 ( 0.948 -3.659 -1.613) 4.110 2.258 ( 2.095 -0.651 0.615) 2.279 2.443 ( 0.225 1.859 0.586) 1.962 2.479 ( -0.719 0.631 -1.541) 1.814 2.535 ( 3.835 2.202 0.092) 4.423 2.574 ( 2.681 -1.987 1.329) 3.592 2.672 ( 1.278 -1.296 -0.269) 1.840 2.693 ( 3.192 -2.917 -0.046) 4.324 2.716 ( 0.138 1.645 0.494) 1.724 2.777 ( -1.550 0.268 -0.119) 1.577 2.865 ( 2.983 -1.363 1.292) 3.526 2.894 ( -0.653 1.129 -1.804) 2.226 2.917 ( 0.719 0.440 -2.156) 2.315 2.995 ( 3.490 -1.679 1.241) 4.067 3.040 ( 3.096 -1.347 -1.110) 3.554 3.073 ( 1.028 -4.571 0.552) 4.718 3.219 ( 1.646 -0.129 -0.604) 1.758 3.257 ( 4.584 1.280 0.995) 4.862 3.287 ( 2.198 2.465 -0.566) 3.350 3.337 ( 4.474 -0.793 0.699) 4.598 3.381 ( 0.941 -1.018 -0.322) 1.423 3.394 ( 1.708 0.416 0.212) 1.771 5.241 ( 1.412 -0.216 -1.314) 1.941 5.280 ( 0.611 -0.361 -1.305) 1.485 5.323 ( 1.066 2.260 0.621) 2.575 5.383 ( 1.449 -1.259 0.509) 1.986 5.576 ( 7.071 1.337 -0.038) 7.197 5.641 ( 2.441 1.789 -0.070) 3.028 5.665 ( 4.026 -1.648 -0.785) 4.421 5.752 ( 8.409 -3.175 -0.079) 8.989 5.813 ( 2.295 -1.300 2.938) 3.948 5.836 ( 3.598 -1.324 0.660) 3.890 5.892 ( 3.972 0.631 -1.592) 4.325 5.909 ( 0.850 -0.075 0.156) 0.868 5.997 ( 7.117 4.478 -0.339) 8.416 6.045 ( 6.620 4.119 0.505) 7.813 6.141 ( 2.080 -1.128 -1.122) 2.619 6.173 ( 6.009 -1.089 0.993) 6.187 6.262 ( 3.638 2.928 0.046) 4.670 6.309 ( 2.511 3.412 0.089) 4.237 6.413 ( 5.110 -1.863 -0.666) 5.480 6.539 ( 5.392 -7.669 -1.807) 9.548 6.817 ( 11.928 0.231 0.712) 11.952 6.870 ( 12.430 -0.117 -0.349) 12.435 7.007 ( 7.618 5.619 -0.614) 9.486 7.221 ( 7.386 3.171 1.902) 8.260 7.433 ( 2.713 -0.364 -0.555) 2.793 7.482 ( 1.779 1.185 -1.278) 2.490 7.619 ( 7.157 -9.070 1.035) 11.600 7.627 ( 6.937 7.662 0.820) 10.368 7.761 ( 6.380 4.917 -1.881) 8.271 7.949 ( 1.688 -10.793 0.882) 10.960 8.259 ( 5.441 1.285 -0.511) 5.614 8.309 ( 6.913 2.220 -0.330) 7.268 8.511 ( 7.837 5.993 -0.987) 9.914 8.605 ( 4.471 -1.164 2.175) 5.106 9.008 ( 10.061 -1.199 0.026) 10.132 9.163 ( 7.135 -4.593 1.946) 8.706 ======================= Grid point 13 (10/84) ======================= q-point: ( 0.44 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( 3.784 1.557 0.757) 4.161 1.292 ( 3.773 3.334 0.164) 5.038 1.389 ( 1.453 -1.437 -2.028) 2.879 1.458 ( -1.092 -2.016 2.029) 3.061 1.599 ( -0.011 6.371 1.316) 6.505 1.631 ( -0.949 2.468 -0.190) 2.651 1.750 ( 0.039 3.129 0.574) 3.182 1.768 ( -0.767 -0.596 1.156) 1.511 1.867 ( 2.112 -2.189 -2.299) 3.812 1.968 ( 4.273 -0.730 0.431) 4.356 2.052 ( 0.190 -0.254 -1.971) 1.997 2.106 ( 4.092 -0.357 -2.368) 4.741 2.139 ( 0.542 -1.989 3.454) 4.023 2.171 ( -1.333 -3.289 0.645) 3.607 2.200 ( -0.241 -3.931 -3.435) 5.226 2.239 ( -2.989 0.630 2.394) 3.881 2.442 ( 0.242 1.172 -0.411) 1.265 2.460 ( -0.558 -1.220 -1.302) 1.869 2.602 ( 1.915 2.666 0.230) 3.291 2.638 ( 1.822 -1.110 1.814) 2.801 2.653 ( 0.200 -0.456 0.116) 0.511 2.712 ( -0.457 -2.001 -1.318) 2.439 2.725 ( -1.230 0.088 0.240) 1.256 2.808 ( 3.209 0.283 -0.446) 3.252 2.866 ( -0.123 1.903 0.006) 1.907 2.883 ( -0.730 -3.061 1.199) 3.368 2.985 ( 3.186 1.756 -1.987) 4.145 3.037 ( 0.377 -0.794 0.588) 1.057 3.094 ( 1.604 -0.497 -0.734) 1.833 3.112 ( 2.027 -3.464 1.192) 4.187 3.233 ( 0.251 0.266 -0.595) 0.699 3.319 ( 0.987 0.559 -0.094) 1.138 3.339 ( 2.101 0.167 0.449) 2.155 3.399 ( 0.908 -1.198 -0.929) 1.767 3.411 ( 2.142 -0.146 0.617) 2.234 3.429 ( 1.118 -0.367 0.621) 1.330 5.264 ( 0.982 0.336 -0.733) 1.271 5.281 ( -0.496 0.835 -0.110) 0.978 5.338 ( 0.436 1.922 -0.010) 1.971 5.398 ( 0.278 -1.555 0.163) 1.588 5.644 ( 1.064 0.836 0.028) 1.353 5.705 ( 2.522 2.615 0.288) 3.645 5.723 ( 1.666 -1.984 -0.387) 2.619 5.813 ( 0.098 -1.024 1.082) 1.493 5.862 ( 1.954 -3.408 -0.410) 3.950 5.883 ( 0.747 -3.127 1.189) 3.427 5.903 ( 0.016 1.018 -0.561) 1.162 5.942 ( 0.918 -1.011 -0.720) 1.544 6.091 ( 2.064 2.902 0.256) 3.571 6.155 ( 3.010 3.984 1.577) 5.236 6.166 ( 0.800 0.778 -1.896) 2.200 6.253 ( 1.531 -0.232 -0.069) 1.550 6.338 ( 2.943 3.318 0.950) 4.536 6.352 ( 1.448 3.558 -1.301) 4.056 6.509 ( 3.226 -2.874 0.008) 4.320 6.618 ( 2.180 -8.264 -0.715) 8.577 7.005 ( 5.992 7.605 0.867) 9.720 7.083 ( 5.360 2.423 -0.717) 5.926 7.109 ( 4.439 -1.225 -0.320) 4.616 7.290 ( -0.192 1.938 0.964) 2.173 7.462 ( 0.601 0.410 -0.316) 0.793 7.504 ( 0.489 1.300 -0.442) 1.457 7.729 ( 2.874 8.498 0.198) 8.973 7.765 ( 5.470 -10.041 1.023) 11.480 7.851 ( 2.999 2.337 -1.487) 4.083 7.941 ( -2.120 -10.860 0.490) 11.076 8.348 ( 2.707 1.619 -0.273) 3.166 8.419 ( 3.287 3.251 -0.120) 4.625 8.632 ( 3.818 2.377 -1.348) 4.695 8.671 ( 1.434 2.923 1.929) 3.784 9.178 ( 6.097 -2.241 -0.185) 6.499 9.246 ( 0.869 -4.255 0.987) 4.454 ======================= Grid point 18 (11/84) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.736 ( 0.000 -16.394 0.000) 16.394 0.736 ( 0.000 16.394 0.000) 16.394 0.897 ( 0.000 -20.295 0.000) 20.295 0.897 ( 0.000 20.295 0.000) 20.295 1.278 ( 0.000 -23.947 0.000) 23.947 1.278 ( 0.000 23.947 0.000) 23.947 1.519 ( 0.000 -2.308 0.000) 2.308 1.519 ( 0.000 2.308 0.000) 2.308 1.697 ( 0.000 -6.540 0.000) 6.540 1.697 ( 0.000 6.540 0.000) 6.540 1.827 ( 0.000 -5.622 0.000) 5.622 1.827 ( 0.000 5.622 0.000) 5.622 2.070 ( 0.000 -1.907 0.000) 1.907 2.070 ( 0.000 1.907 0.000) 1.907 2.205 ( 0.000 -4.579 0.000) 4.579 2.205 ( 0.000 4.579 0.000) 4.579 2.302 ( 0.000 -5.211 0.000) 5.211 2.302 ( 0.000 5.211 0.000) 5.211 2.429 ( 0.000 -1.192 0.000) 1.192 2.429 ( 0.000 1.192 0.000) 1.192 2.593 ( 0.000 -1.333 0.000) 1.333 2.593 ( 0.000 1.333 0.000) 1.333 2.707 ( 0.000 -1.650 0.000) 1.650 2.707 ( 0.000 1.650 0.000) 1.650 2.794 ( 0.000 -2.177 0.000) 2.177 2.794 ( 0.000 2.177 0.000) 2.177 2.856 ( 0.000 -6.951 0.000) 6.951 2.856 ( 0.000 6.952 0.000) 6.952 3.100 ( 0.000 -1.954 0.000) 1.954 3.100 ( 0.000 1.954 0.000) 1.954 3.131 ( 0.000 -2.518 0.000) 2.518 3.131 ( 0.000 2.518 0.000) 2.518 3.341 ( 0.000 -3.178 0.000) 3.178 3.341 ( 0.000 3.178 0.000) 3.178 3.475 ( 0.000 -0.042 0.000) 0.042 3.475 ( 0.000 0.042 0.000) 0.042 4.920 ( 0.000 -1.347 0.000) 1.347 4.920 ( 0.000 1.347 0.000) 1.347 5.074 ( 0.000 -2.189 0.000) 2.189 5.074 ( 0.000 2.189 0.000) 2.189 5.197 ( 0.000 -0.543 0.000) 0.543 5.197 ( 0.000 0.543 0.000) 0.543 5.259 ( 0.000 -0.494 0.000) 0.494 5.259 ( 0.000 0.494 0.000) 0.494 5.620 ( 0.000 -1.953 0.000) 1.953 5.620 ( 0.000 1.953 0.000) 1.953 5.629 ( 0.000 -1.019 0.000) 1.019 5.629 ( 0.000 1.019 0.000) 1.019 5.937 ( 0.000 -1.371 0.000) 1.371 5.937 ( 0.000 1.371 0.000) 1.371 6.064 ( 0.000 -0.175 0.000) 0.175 6.064 ( 0.000 0.175 0.000) 0.175 6.211 ( 0.000 -0.567 0.000) 0.567 6.211 ( 0.000 0.567 0.000) 0.567 6.218 ( 0.000 -0.013 0.000) 0.013 6.218 ( 0.000 0.013 0.000) 0.013 6.401 ( 0.000 -3.449 0.000) 3.449 6.401 ( 0.000 3.449 0.000) 3.449 6.685 ( 0.000 -8.283 0.000) 8.283 6.685 ( 0.000 8.283 0.000) 8.283 7.363 ( 0.000 -0.263 0.000) 0.263 7.363 ( 0.000 0.263 0.000) 0.263 7.455 ( 0.000 -1.973 0.000) 1.973 7.455 ( 0.000 1.973 0.000) 1.973 7.623 ( 0.000 -7.040 0.000) 7.040 7.623 ( 0.000 7.040 0.000) 7.040 8.127 ( 0.000 -0.193 0.000) 0.193 8.127 ( 0.000 0.193 0.000) 0.193 8.400 ( 0.000 -3.329 0.000) 3.329 8.400 ( 0.000 3.329 0.000) 3.329 8.809 ( 0.000 -0.714 0.000) 0.714 8.809 ( 0.000 0.714 0.000) 0.714 ======================= Grid point 20 (12/84) ======================= q-point: ( 0.11 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.862 ( 9.246 -10.996 1.246) 14.421 0.862 ( 9.246 10.996 1.246) 14.421 0.942 ( 6.863 -15.184 -3.705) 17.070 0.942 ( 6.863 15.184 -3.705) 17.070 1.391 ( 9.559 -17.749 4.445) 20.643 1.391 ( 9.559 17.749 4.445) 20.643 1.618 ( 7.412 -1.077 0.138) 7.491 1.618 ( 7.412 1.077 0.138) 7.491 1.711 ( 3.173 -1.625 0.525) 3.604 1.711 ( 3.173 1.625 0.525) 3.604 1.872 ( 3.612 -2.502 -1.868) 4.775 1.872 ( 3.612 2.502 -1.868) 4.775 2.063 ( -1.857 -2.288 -4.343) 5.248 2.063 ( -1.857 2.288 -4.343) 5.248 2.116 ( -5.424 -3.421 5.079) 8.180 2.116 ( -5.424 3.421 5.079) 8.180 2.312 ( 4.927 -2.708 0.475) 5.643 2.312 ( 4.927 2.708 0.475) 5.643 2.477 ( 1.585 -2.367 0.162) 2.853 2.477 ( 1.585 2.367 0.162) 2.853 2.623 ( 1.650 -0.612 0.226) 1.775 2.623 ( 1.650 0.612 0.226) 1.775 2.715 ( 1.206 -2.944 -2.502) 4.048 2.715 ( 1.206 2.944 -2.502) 4.048 2.822 ( 1.819 -2.108 -0.147) 2.788 2.822 ( 1.819 2.108 -0.147) 2.788 2.873 ( 1.939 -2.806 1.501) 3.727 2.873 ( 1.939 2.806 1.501) 3.727 3.050 ( -3.017 -0.435 -0.495) 3.089 3.050 ( -3.017 0.435 -0.495) 3.089 3.136 ( 0.559 -1.602 0.198) 1.708 3.136 ( 0.559 1.602 0.198) 1.708 3.323 ( -1.491 -2.619 0.101) 3.015 3.323 ( -1.491 2.619 0.101) 3.015 3.433 ( -3.538 -0.376 -0.326) 3.573 3.433 ( -3.538 0.376 -0.326) 3.573 5.076 ( 14.032 -1.556 0.314) 14.121 5.076 ( 14.032 1.556 0.314) 14.121 5.150 ( 6.194 -0.698 -0.417) 6.248 5.150 ( 6.194 0.698 -0.417) 6.248 5.249 ( 1.511 -0.488 -0.442) 1.648 5.249 ( 1.511 0.488 -0.442) 1.648 5.427 ( 15.094 -4.382 2.033) 15.848 5.427 ( 15.094 4.382 2.033) 15.848 5.636 ( 1.883 -1.505 -0.604) 2.485 5.636 ( 1.883 1.505 -0.604) 2.485 5.653 ( 3.292 -1.237 1.592) 3.860 5.653 ( 3.292 1.237 1.592) 3.860 5.943 ( 0.757 -0.455 -0.013) 0.883 5.943 ( 0.757 0.455 -0.013) 0.883 6.017 ( -2.424 -2.386 -0.075) 3.402 6.017 ( -2.424 2.386 -0.075) 3.402 6.224 ( 0.933 -1.433 1.150) 2.061 6.224 ( 0.933 1.433 1.150) 2.061 6.296 ( 5.079 -0.705 -1.389) 5.313 6.296 ( 5.079 0.705 -1.389) 5.313 6.430 ( 3.871 -3.286 -0.246) 5.084 6.430 ( 3.871 3.286 -0.246) 5.084 6.767 ( 8.110 -7.789 -0.745) 11.269 6.767 ( 8.110 7.789 -0.745) 11.269 7.414 ( 3.301 -1.760 1.460) 4.016 7.414 ( 3.301 1.760 1.460) 4.016 7.446 ( 0.299 -1.224 0.341) 1.305 7.446 ( 0.299 1.224 0.341) 1.305 7.609 ( 0.643 -8.922 -1.225) 9.028 7.609 ( 0.643 8.922 -1.225) 9.028 8.142 ( 1.559 -0.274 -0.110) 1.587 8.142 ( 1.559 0.274 -0.110) 1.587 8.385 ( 0.182 -4.795 0.281) 4.807 8.385 ( 0.182 4.795 0.281) 4.807 8.767 ( 0.657 -4.585 1.026) 4.744 8.767 ( 0.657 4.585 1.026) 4.744 ======================= Grid point 22 (13/84) ======================= q-point: ( 0.22 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( 9.229 -8.743 -4.374) 13.444 1.033 ( 9.229 8.743 -4.374) 13.444 1.150 ( 10.527 -9.062 3.883) 14.423 1.150 ( 10.527 9.062 3.883) 14.423 1.575 ( 6.975 -7.193 3.252) 10.534 1.575 ( 6.975 7.193 3.252) 10.534 1.734 ( 5.146 -3.444 1.433) 6.356 1.734 ( 5.146 3.444 1.433) 6.356 1.834 ( 4.478 -1.229 0.610) 4.684 1.834 ( 4.478 1.229 0.610) 4.684 1.907 ( 0.735 -4.008 -2.970) 5.042 1.907 ( 0.735 4.008 -2.970) 5.042 2.021 ( 2.666 -3.803 -3.022) 5.541 2.021 ( 2.666 3.803 -3.022) 5.541 2.148 ( 4.739 -0.399 1.752) 5.069 2.148 ( 4.739 0.399 1.752) 5.069 2.433 ( 5.547 -3.303 1.681) 6.671 2.433 ( 5.547 3.303 1.681) 6.671 2.500 ( 1.809 -1.428 -0.063) 2.306 2.500 ( 1.809 1.428 -0.063) 2.306 2.627 ( -0.918 -0.914 0.523) 1.397 2.627 ( -0.918 0.914 0.523) 1.397 2.749 ( 2.005 -2.823 -1.772) 3.890 2.749 ( 2.005 2.823 -1.772) 3.890 2.850 ( 0.920 -3.017 -0.083) 3.156 2.850 ( 0.920 3.017 -0.083) 3.156 2.916 ( 1.849 -3.546 0.926) 4.105 2.916 ( 1.849 3.546 0.926) 4.105 3.007 ( -0.995 -1.570 -1.710) 2.525 3.007 ( -0.995 1.570 -1.710) 2.525 3.172 ( 3.074 -1.652 0.724) 3.564 3.172 ( 3.074 1.652 0.724) 3.564 3.301 ( -0.168 -1.110 0.229) 1.146 3.301 ( -0.168 1.110 0.229) 1.146 3.376 ( -1.285 -0.108 -0.854) 1.546 3.376 ( -1.285 0.108 -0.854) 1.546 5.227 ( 1.843 -1.706 -1.918) 3.160 5.227 ( 1.843 1.706 -1.918) 3.160 5.304 ( 4.518 -0.798 1.560) 4.846 5.304 ( 4.518 0.798 1.560) 4.846 5.409 ( 15.116 -2.784 -0.163) 15.371 5.409 ( 15.116 2.784 -0.163) 15.371 5.605 ( 3.776 -0.862 -1.420) 4.125 5.605 ( 3.776 0.862 -1.420) 4.125 5.714 ( 5.502 -0.669 0.083) 5.543 5.714 ( 5.502 0.669 0.083) 5.543 5.822 ( 9.970 -2.409 3.476) 10.830 5.822 ( 9.970 2.409 3.476) 10.830 5.972 ( 3.142 -2.967 -0.814) 4.397 5.972 ( 3.142 2.967 -0.814) 4.397 6.016 ( 3.059 -4.274 0.187) 5.260 6.016 ( 3.059 4.274 0.187) 5.260 6.255 ( 2.482 -2.076 1.093) 3.415 6.255 ( 2.482 2.076 1.093) 3.415 6.360 ( 2.098 -2.210 -1.598) 3.441 6.360 ( 2.098 2.210 -1.598) 3.441 6.585 ( 11.166 -2.725 -0.592) 11.509 6.585 ( 11.166 2.725 -0.592) 11.509 6.975 ( 11.558 -8.004 -0.301) 14.062 6.975 ( 11.558 8.004 -0.301) 14.062 7.433 ( 1.356 -4.494 2.344) 5.247 7.433 ( 1.356 4.494 2.344) 5.247 7.519 ( 4.282 -4.804 -1.515) 6.612 7.519 ( 4.282 4.804 -1.515) 6.612 7.691 ( 6.712 -4.081 -0.452) 7.868 7.691 ( 6.712 4.081 -0.452) 7.868 8.202 ( 4.871 -1.200 -0.280) 5.025 8.202 ( 4.871 1.200 -0.280) 5.025 8.445 ( 5.318 -3.024 0.525) 6.140 8.445 ( 5.318 3.024 0.525) 6.140 8.871 ( 8.427 -5.549 1.261) 10.168 8.871 ( 8.427 5.549 1.261) 10.168 ======================= Grid point 24 (14/84) ======================= q-point: ( 0.33 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 7.352 -4.932 -2.943) 9.329 1.204 ( 7.352 4.932 -2.943) 9.329 1.316 ( 5.760 -6.217 4.637) 9.660 1.316 ( 5.760 6.217 4.637) 9.660 1.677 ( 2.928 -4.404 1.266) 5.438 1.677 ( 2.928 4.404 1.266) 5.438 1.798 ( -1.569 -0.308 0.901) 1.835 1.798 ( -1.569 0.308 0.901) 1.835 1.817 ( 2.810 -2.128 -0.744) 3.603 1.817 ( 2.810 2.128 -0.744) 3.603 2.019 ( 4.675 -2.640 -0.803) 5.429 2.019 ( 4.675 2.640 -0.803) 5.429 2.083 ( 3.070 -3.926 -2.902) 5.767 2.083 ( 3.070 3.926 -2.902) 5.767 2.219 ( 1.323 -2.975 -0.220) 3.263 2.219 ( 1.323 2.975 -0.220) 3.263 2.471 ( -1.323 -0.720 -0.623) 1.630 2.471 ( -1.323 0.720 -0.623) 1.630 2.560 ( 3.335 -1.055 3.187) 4.732 2.560 ( 3.335 1.055 3.187) 4.732 2.647 ( 3.046 -0.705 -0.839) 3.237 2.647 ( 3.046 0.705 -0.839) 3.237 2.769 ( -0.122 -2.376 0.467) 2.425 2.769 ( -0.122 2.376 0.467) 2.425 2.865 ( 0.203 -2.355 0.258) 2.378 2.865 ( 0.203 2.355 0.258) 2.378 2.946 ( 2.537 -3.642 -1.377) 4.648 2.946 ( 2.537 3.642 -1.377) 4.648 3.032 ( 3.225 -0.607 -0.697) 3.355 3.032 ( 3.225 0.607 -0.697) 3.355 3.234 ( 2.584 -1.934 0.216) 3.235 3.234 ( 2.584 1.934 0.216) 3.235 3.330 ( 2.440 -1.529 0.810) 2.991 3.330 ( 2.440 1.529 0.810) 2.991 3.382 ( 1.633 -1.344 -0.735) 2.239 3.382 ( 1.633 1.344 -0.735) 2.239 5.256 ( 1.484 -1.430 -1.926) 2.820 5.256 ( 1.484 1.430 -1.926) 2.820 5.360 ( 1.233 -1.177 1.538) 2.297 5.360 ( 1.233 1.177 1.538) 2.297 5.618 ( 5.354 -2.424 -0.446) 5.894 5.618 ( 5.354 2.424 -0.446) 5.894 5.689 ( 5.306 -2.653 -0.377) 5.944 5.689 ( 5.306 2.653 -0.377) 5.944 5.808 ( 2.640 -0.784 2.128) 3.480 5.808 ( 2.640 0.784 2.128) 3.480 5.905 ( 1.450 -0.438 -1.300) 1.996 5.905 ( 1.450 0.438 -1.300) 1.996 6.086 ( 4.992 -3.053 -0.087) 5.852 6.086 ( 4.992 3.053 -0.087) 5.852 6.132 ( 7.082 -2.602 0.188) 7.547 6.132 ( 7.082 2.602 0.188) 7.547 6.339 ( 5.376 -3.789 0.848) 6.632 6.339 ( 5.376 3.789 0.848) 6.632 6.402 ( 2.727 -4.867 -1.676) 5.826 6.402 ( 2.727 4.867 -1.676) 5.826 6.841 ( 13.563 -1.981 0.087) 13.708 6.841 ( 13.563 1.981 0.087) 13.708 7.178 ( 8.026 -8.931 0.061) 12.008 7.178 ( 8.026 8.931 0.061) 12.008 7.472 ( 2.026 -3.505 1.244) 4.236 7.472 ( 2.026 3.505 1.244) 4.236 7.601 ( 3.590 -10.689 -1.307) 11.351 7.601 ( 3.590 10.689 -1.307) 11.351 7.816 ( 5.116 -0.618 -0.069) 5.154 7.816 ( 5.116 0.618 -0.069) 5.154 8.330 ( 7.285 -2.835 -0.597) 7.840 8.330 ( 7.285 2.835 -0.597) 7.840 8.566 ( 6.090 -2.503 0.943) 6.652 8.566 ( 6.090 2.503 0.943) 6.652 9.050 ( 8.262 -4.998 1.012) 9.709 9.050 ( 8.262 4.998 1.012) 9.709 ======================= Grid point 26 (15/84) ======================= q-point: ( 0.44 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( 2.254 -3.276 -1.189) 4.151 1.299 ( 2.254 3.276 -1.189) 4.151 1.394 ( 2.023 -3.322 2.556) 4.654 1.394 ( 2.023 3.322 2.556) 4.654 1.675 ( -1.355 -2.717 -0.425) 3.065 1.675 ( -1.355 2.717 -0.425) 3.065 1.799 ( 0.765 -3.603 -0.415) 3.707 1.799 ( 0.765 3.604 -0.415) 3.707 1.901 ( 4.456 -4.232 1.059) 6.236 1.901 ( 4.456 4.232 1.059) 6.236 2.045 ( -1.385 -1.149 -0.246) 1.817 2.045 ( -1.385 1.150 -0.246) 1.817 2.100 ( -0.646 -1.122 -1.754) 2.180 2.100 ( -0.646 1.122 -1.754) 2.180 2.226 ( -0.036 -2.263 0.290) 2.282 2.226 ( -0.036 2.263 0.290) 2.282 2.458 ( 0.468 -0.430 -1.017) 1.199 2.458 ( 0.468 0.430 -1.017) 1.199 2.623 ( 2.542 -1.415 2.334) 3.730 2.623 ( 2.542 1.415 2.334) 3.730 2.664 ( -1.175 -0.846 -1.143) 1.845 2.664 ( -1.175 0.846 -1.143) 1.845 2.772 ( 0.085 -4.310 -0.004) 4.311 2.772 ( 0.085 4.310 -0.004) 4.311 2.861 ( 0.062 -1.668 0.399) 1.716 2.861 ( 0.062 1.668 0.399) 1.716 3.012 ( 2.562 -1.262 -0.607) 2.919 3.012 ( 2.562 1.262 -0.607) 2.919 3.093 ( 2.064 -0.553 -0.119) 2.140 3.093 ( 2.064 0.553 -0.119) 2.140 3.267 ( 0.735 -3.335 -0.089) 3.416 3.267 ( 0.735 3.335 -0.089) 3.416 3.364 ( 0.765 -1.825 0.203) 1.989 3.364 ( 0.765 1.825 0.203) 1.989 3.423 ( 1.631 -0.754 0.045) 1.797 3.423 ( 1.631 0.754 0.045) 1.797 5.280 ( 0.794 -0.891 -0.899) 1.494 5.280 ( 0.794 0.891 -0.899) 1.494 5.371 ( 0.032 -1.146 0.713) 1.350 5.371 ( 0.032 1.146 0.713) 1.350 5.677 ( 1.332 -2.095 -0.226) 2.493 5.677 ( 1.332 2.095 -0.226) 2.493 5.773 ( 2.517 -3.520 0.675) 4.380 5.773 ( 2.517 3.520 0.675) 4.380 5.826 ( -0.196 -1.413 0.207) 1.441 5.826 ( -0.196 1.413 0.207) 1.441 5.927 ( 0.633 -0.812 -0.560) 1.172 5.927 ( 0.633 0.812 -0.560) 1.172 6.143 ( 1.175 -1.730 -0.041) 2.092 6.143 ( 1.175 1.731 -0.041) 2.092 6.234 ( 2.636 -1.994 -0.094) 3.307 6.234 ( 2.636 1.994 -0.094) 3.307 6.413 ( 1.732 -2.208 0.065) 2.807 6.413 ( 1.732 2.208 0.065) 2.807 6.470 ( 2.756 -4.083 -0.518) 4.953 6.470 ( 2.756 4.083 -0.518) 4.953 7.067 ( 7.370 -0.373 0.264) 7.384 7.067 ( 7.370 0.373 0.264) 7.384 7.277 ( 1.998 -8.623 0.071) 8.851 7.277 ( 1.998 8.623 0.071) 8.851 7.507 ( 1.160 -5.628 0.435) 5.763 7.507 ( 1.160 5.628 0.435) 5.763 7.640 ( 0.533 -10.414 -0.659) 10.448 7.640 ( 0.533 10.414 -0.659) 10.448 7.886 ( 1.825 -1.711 -0.009) 2.502 7.886 ( 1.825 1.711 -0.009) 2.502 8.447 ( 3.541 -4.445 -0.404) 5.697 8.447 ( 3.541 4.445 -0.404) 5.697 8.661 ( 2.716 -3.753 0.598) 4.671 8.661 ( 2.716 3.753 0.598) 4.671 9.169 ( 3.207 -2.103 0.366) 3.852 9.169 ( 3.207 2.103 0.366) 3.852 ======================= Grid point 45 (16/84) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.379 ( 1.427 0.000 17.947) 18.004 0.481 ( 2.666 0.000 22.419) 22.577 0.684 ( 6.242 0.000 31.414) 32.028 1.269 ( 2.850 0.000 1.823) 3.383 1.364 ( 2.084 0.000 0.920) 2.279 1.432 ( 0.014 0.000 -1.810) 1.810 1.516 ( -0.799 0.000 -5.308) 5.368 1.601 ( -3.834 0.000 -1.671) 4.182 1.603 ( -3.465 0.000 -7.863) 8.593 1.630 ( -0.525 0.000 -4.549) 4.580 1.854 ( -3.733 0.000 -5.471) 6.623 1.909 ( -5.111 0.000 -6.537) 8.298 2.039 ( 4.471 0.000 -5.201) 6.858 2.099 ( 6.974 0.000 5.709) 9.012 2.130 ( 0.544 0.000 1.567) 1.659 2.192 ( 0.875 0.000 -0.114) 0.883 2.325 ( -5.234 0.000 4.173) 6.694 2.342 ( 4.414 0.000 1.795) 4.764 2.356 ( -3.836 0.000 2.470) 4.562 2.588 ( 1.380 0.000 3.909) 4.146 2.598 ( 1.513 0.000 2.154) 2.632 2.622 ( -3.608 0.000 0.470) 3.638 2.687 ( -2.504 0.000 1.374) 2.856 2.734 ( -0.355 0.000 -0.516) 0.627 2.744 ( -0.341 0.000 2.302) 2.327 2.782 ( -0.004 0.000 -2.435) 2.435 2.869 ( -0.024 0.000 2.346) 2.346 2.965 ( 0.226 0.000 -0.209) 0.308 3.039 ( -0.411 0.000 0.727) 0.835 3.046 ( 2.773 0.000 -2.821) 3.956 3.136 ( -0.267 0.000 0.309) 0.408 3.290 ( 3.477 0.000 0.932) 3.600 3.325 ( -0.195 0.000 -1.246) 1.261 3.383 ( 0.096 0.000 3.664) 3.665 3.397 ( -0.822 0.000 -1.060) 1.342 3.467 ( 0.743 0.000 1.330) 1.524 4.901 ( 0.323 0.000 1.024) 1.074 4.973 ( -0.359 0.000 -0.370) 0.515 4.990 ( 0.311 0.000 -0.957) 1.006 5.132 ( -2.072 0.000 -0.692) 2.185 5.203 ( 2.169 0.000 -0.441) 2.213 5.223 ( -1.837 0.000 -0.667) 1.955 5.246 ( 21.681 0.000 -2.320) 21.804 5.271 ( 0.061 0.000 -0.029) 0.068 5.571 ( 0.166 0.000 2.769) 2.774 5.638 ( 0.714 0.000 1.811) 1.946 5.662 ( -0.229 0.000 0.906) 0.934 5.724 ( 4.659 0.000 0.633) 4.702 5.934 ( -5.367 0.000 -0.207) 5.371 5.945 ( 3.355 0.000 -2.777) 4.355 5.974 ( 1.233 0.000 0.306) 1.270 6.054 ( -0.882 0.000 -0.648) 1.094 6.108 ( -1.917 0.000 -1.627) 2.515 6.163 ( 0.032 0.000 -1.877) 1.878 6.186 ( 0.902 0.000 -3.341) 3.461 6.358 ( 2.164 0.000 4.111) 4.646 6.464 ( 0.629 0.000 8.792) 8.814 6.470 ( 0.068 0.000 -6.410) 6.411 6.482 ( -1.671 0.000 5.767) 6.004 6.937 ( 2.159 0.000 3.878) 4.438 7.144 ( 0.945 0.000 -5.080) 5.167 7.200 ( -0.398 0.000 -1.521) 1.572 7.277 ( -1.481 0.000 0.231) 1.499 7.468 ( 1.678 0.000 -4.252) 4.571 7.636 ( 0.465 0.000 4.606) 4.629 7.791 ( 0.415 0.000 -4.357) 4.377 7.974 ( -0.208 0.000 -3.711) 3.716 8.159 ( 0.553 0.000 1.515) 1.613 8.431 ( 0.606 0.000 -6.593) 6.621 8.467 ( 2.643 0.000 5.465) 6.070 8.636 ( 0.162 0.000 -4.616) 4.619 8.814 ( 1.713 0.000 -1.001) 1.984 ======================= Grid point 46 (17/84) ======================= q-point: ( 0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.612 ( 15.352 0.000 12.305) 19.675 0.656 ( 11.518 0.000 17.459) 20.916 1.027 ( 21.556 0.000 22.125) 30.890 1.367 ( 5.916 0.000 1.228) 6.042 1.491 ( 4.344 0.000 -0.917) 4.440 1.501 ( -0.454 0.000 -5.190) 5.210 1.525 ( 4.844 0.000 0.721) 4.897 1.579 ( 2.861 0.000 -4.206) 5.086 1.598 ( 8.152 0.000 -5.089) 9.610 1.705 ( 8.473 0.000 -2.634) 8.873 1.718 ( -1.390 0.000 -6.272) 6.424 1.876 ( -1.509 0.000 -3.733) 4.026 2.062 ( -3.164 0.000 0.591) 3.219 2.099 ( -1.833 0.000 1.775) 2.552 2.177 ( 4.472 0.000 -5.570) 7.143 2.202 ( -1.808 0.000 1.622) 2.429 2.291 ( -0.651 0.000 0.830) 1.055 2.345 ( 6.311 0.000 4.801) 7.930 2.455 ( 3.734 0.000 1.354) 3.972 2.537 ( -0.232 0.000 4.237) 4.243 2.657 ( 1.879 0.000 -0.184) 1.888 2.666 ( -0.722 0.000 3.747) 3.816 2.691 ( 4.718 0.000 1.019) 4.826 2.745 ( 2.674 0.000 1.582) 3.107 2.773 ( 3.399 0.000 0.118) 3.401 2.805 ( 2.272 0.000 -1.860) 2.936 2.882 ( 0.482 0.000 0.623) 0.788 2.962 ( -0.660 0.000 0.120) 0.671 3.045 ( 1.336 0.000 0.108) 1.340 3.078 ( 1.409 0.000 -0.831) 1.636 3.095 ( -1.700 0.000 1.587) 2.326 3.280 ( -2.435 0.000 -0.033) 2.435 3.316 ( -2.011 0.000 -2.136) 2.933 3.329 ( -3.579 0.000 -0.924) 3.697 3.339 ( -4.197 0.000 2.979) 5.147 3.445 ( -2.554 0.000 1.340) 2.884 5.045 ( 12.322 0.000 0.635) 12.339 5.129 ( 13.961 0.000 -1.129) 14.006 5.134 ( 12.515 0.000 -0.666) 12.532 5.136 ( 2.289 0.000 -0.569) 2.359 5.219 ( 1.734 0.000 0.064) 1.735 5.288 ( 2.299 0.000 -1.069) 2.535 5.290 ( 6.546 0.000 -0.688) 6.582 5.571 ( 4.797 0.000 -4.014) 6.255 5.608 ( 2.597 0.000 2.429) 3.556 5.666 ( 1.431 0.000 0.396) 1.485 5.669 ( 3.458 0.000 2.750) 4.418 5.841 ( -0.097 0.000 -1.251) 1.255 5.950 ( 0.828 0.000 -0.797) 1.149 5.984 ( -4.286 0.000 -1.133) 4.433 5.998 ( 10.091 0.000 -6.033) 11.757 6.008 ( 3.188 0.000 -2.151) 3.845 6.114 ( 1.323 0.000 -0.508) 1.417 6.203 ( 2.747 0.000 -0.633) 2.819 6.217 ( 1.953 0.000 -1.976) 2.779 6.392 ( 0.834 0.000 -2.980) 3.094 6.495 ( 3.874 0.000 6.729) 7.764 6.517 ( 6.431 0.000 -0.360) 6.441 6.573 ( 7.902 0.000 5.947) 9.890 6.938 ( 2.143 0.000 11.649) 11.845 7.222 ( 6.985 0.000 -5.504) 8.893 7.242 ( 5.358 0.000 -1.547) 5.577 7.306 ( 3.923 0.000 0.294) 3.934 7.490 ( -0.323 0.000 2.789) 2.808 7.581 ( -1.060 0.000 4.851) 4.966 7.797 ( 4.043 0.000 -6.493) 7.649 8.002 ( 3.410 0.000 -4.040) 5.287 8.167 ( 0.124 0.000 2.661) 2.664 8.274 ( -3.584 0.000 11.219) 11.778 8.450 ( 1.872 0.000 -6.321) 6.593 8.662 ( 3.354 0.000 -4.319) 5.468 8.900 ( 6.757 0.000 -0.463) 6.772 ======================= Grid point 47 (18/84) ======================= q-point: ( 0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.910 ( 12.146 0.000 11.328) 16.609 0.920 ( 14.241 0.000 8.734) 16.706 1.359 ( 3.278 0.000 1.854) 3.766 1.477 ( 5.489 0.000 -4.557) 7.134 1.491 ( 7.626 0.000 4.465) 8.837 1.606 ( 6.661 0.000 4.380) 7.972 1.614 ( 4.738 0.000 -2.157) 5.206 1.679 ( 6.753 0.000 -3.513) 7.613 1.742 ( 4.284 0.000 -3.595) 5.592 1.780 ( -1.877 0.000 5.347) 5.667 1.874 ( 5.218 0.000 -4.695) 7.019 1.891 ( 6.941 0.000 -0.995) 7.012 2.068 ( 4.189 0.000 -0.311) 4.200 2.099 ( 3.764 0.000 -1.244) 3.964 2.197 ( 3.603 0.000 2.491) 4.380 2.243 ( 1.599 0.000 -1.276) 2.046 2.351 ( 6.711 0.000 -2.573) 7.187 2.452 ( 2.892 0.000 3.296) 4.385 2.454 ( -2.972 0.000 0.327) 2.990 2.560 ( 1.796 0.000 1.258) 2.193 2.664 ( 0.406 0.000 3.498) 3.522 2.717 ( -0.335 0.000 -0.399) 0.521 2.720 ( 3.842 0.000 -0.387) 3.862 2.805 ( -0.436 0.000 -0.589) 0.733 2.831 ( 2.209 0.000 2.330) 3.211 2.861 ( 2.224 0.000 1.334) 2.594 2.938 ( -1.550 0.000 0.399) 1.601 2.947 ( 7.635 0.000 0.647) 7.662 3.030 ( -2.204 0.000 -0.778) 2.337 3.096 ( 3.742 0.000 -0.158) 3.745 3.157 ( 2.446 0.000 1.243) 2.744 3.225 ( -2.963 0.000 -1.378) 3.268 3.248 ( -2.761 0.000 2.389) 3.651 3.280 ( 2.693 0.000 -0.315) 2.711 3.326 ( 0.634 0.000 -2.152) 2.244 3.401 ( -1.135 0.000 1.025) 1.529 5.197 ( 3.213 0.000 -0.748) 3.299 5.227 ( 2.599 0.000 -2.228) 3.423 5.260 ( 2.368 0.000 -0.352) 2.394 5.331 ( 4.760 0.000 -0.497) 4.786 5.365 ( 11.892 0.000 1.353) 11.968 5.483 ( 11.676 0.000 -2.358) 11.912 5.511 ( 14.541 0.000 -0.607) 14.554 5.638 ( 4.803 0.000 0.537) 4.832 5.680 ( 7.422 0.000 1.824) 7.643 5.735 ( 5.334 0.000 -0.084) 5.335 5.808 ( 8.715 0.000 3.839) 9.523 5.853 ( 1.353 0.000 -1.031) 1.701 5.923 ( -1.305 0.000 -1.482) 1.975 5.944 ( 0.199 0.000 1.874) 1.884 6.075 ( 4.092 0.000 -1.080) 4.232 6.130 ( 0.342 0.000 -0.402) 0.528 6.166 ( 5.691 0.000 -5.008) 7.580 6.244 ( 0.901 0.000 0.140) 0.912 6.264 ( 4.573 0.000 0.098) 4.574 6.460 ( 6.201 0.000 -5.095) 8.025 6.634 ( 8.917 0.000 5.103) 10.274 6.696 ( 11.056 0.000 1.438) 11.149 6.762 ( 9.981 0.000 5.181) 11.245 7.097 ( 11.064 0.000 9.583) 14.637 7.375 ( 6.476 0.000 0.506) 6.496 7.384 ( 8.505 0.000 -4.172) 9.473 7.415 ( 6.923 0.000 -0.871) 6.977 7.496 ( 1.276 0.000 5.087) 5.245 7.626 ( 4.489 0.000 -0.286) 4.498 7.915 ( 6.986 0.000 -8.266) 10.823 8.106 ( 7.388 0.000 -4.557) 8.680 8.192 ( 2.690 0.000 3.195) 4.177 8.309 ( 4.096 0.000 7.038) 8.143 8.498 ( 3.443 0.000 -5.751) 6.703 8.779 ( 8.618 0.000 -5.192) 10.061 9.064 ( 9.048 0.000 -0.550) 9.065 ======================= Grid point 48 (19/84) ======================= q-point: ( 0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 9.545 0.000 6.536) 11.568 1.177 ( 10.647 0.000 6.960) 12.720 1.362 ( 0.468 0.000 -0.959) 1.067 1.566 ( -0.453 0.000 3.131) 3.164 1.570 ( 3.279 0.000 -3.270) 4.631 1.639 ( -5.365 0.000 2.930) 6.113 1.710 ( 1.631 0.000 0.566) 1.726 1.788 ( 4.732 0.000 -4.344) 6.423 1.809 ( 3.346 0.000 2.385) 4.109 1.828 ( 8.692 0.000 0.381) 8.701 1.941 ( 1.412 0.000 1.562) 2.106 1.952 ( 2.219 0.000 -5.135) 5.594 2.153 ( 1.949 0.000 -1.040) 2.209 2.218 ( 5.930 0.000 -0.711) 5.972 2.261 ( 0.635 0.000 0.998) 1.183 2.313 ( 0.376 0.000 3.016) 3.040 2.396 ( 2.927 0.000 -3.522) 4.579 2.464 ( -0.724 0.000 1.857) 1.993 2.485 ( 4.338 0.000 -0.079) 4.339 2.628 ( 4.027 0.000 0.233) 4.034 2.673 ( 0.849 0.000 2.094) 2.260 2.743 ( 3.400 0.000 2.630) 4.298 2.755 ( -1.378 0.000 1.715) 2.200 2.798 ( 1.573 0.000 -1.309) 2.046 2.845 ( -0.569 0.000 2.719) 2.778 2.846 ( -2.041 0.000 0.226) 2.054 2.955 ( 2.722 0.000 2.363) 3.604 3.022 ( 1.473 0.000 -2.276) 2.711 3.094 ( 3.035 0.000 2.291) 3.803 3.154 ( 1.036 0.000 -0.683) 1.241 3.174 ( 3.008 0.000 -2.546) 3.940 3.219 ( 2.310 0.000 1.803) 2.931 3.270 ( 3.975 0.000 0.309) 3.987 3.341 ( 1.107 0.000 -2.844) 3.052 3.378 ( 5.093 0.000 0.386) 5.108 3.410 ( 1.375 0.000 0.682) 1.535 5.248 ( 1.893 0.000 -0.665) 2.006 5.261 ( 1.495 0.000 -1.930) 2.441 5.279 ( 0.043 0.000 0.768) 0.769 5.388 ( 1.975 0.000 -0.186) 1.983 5.576 ( 8.101 0.000 1.329) 8.209 5.601 ( 2.443 0.000 -1.613) 2.927 5.663 ( 4.646 0.000 -1.302) 4.825 5.799 ( 7.514 0.000 -0.585) 7.537 5.815 ( 1.578 0.000 -1.832) 2.418 5.862 ( 1.743 0.000 -0.724) 1.888 5.926 ( 6.643 0.000 0.277) 6.649 5.949 ( -0.017 0.000 2.163) 2.163 5.958 ( 3.116 0.000 -0.383) 3.140 5.970 ( 10.618 0.000 4.366) 11.481 6.135 ( 0.914 0.000 -0.493) 1.039 6.190 ( 6.584 0.000 -0.467) 6.601 6.242 ( 2.858 0.000 -0.669) 2.935 6.269 ( 2.170 0.000 1.729) 2.775 6.392 ( 7.490 0.000 -0.866) 7.540 6.596 ( 6.881 0.000 -5.187) 8.618 6.821 ( 8.658 0.000 4.288) 9.662 6.944 ( 13.081 0.000 1.955) 13.226 6.947 ( 7.485 0.000 4.867) 8.928 7.302 ( 7.190 0.000 5.604) 9.116 7.465 ( 2.740 0.000 4.536) 5.300 7.512 ( 4.940 0.000 -0.176) 4.943 7.541 ( 2.275 0.000 5.822) 6.251 7.577 ( 8.343 0.000 -4.239) 9.358 7.754 ( 8.029 0.000 -3.330) 8.692 8.012 ( 2.683 0.000 -7.203) 7.686 8.276 ( 9.466 0.000 -5.347) 10.872 8.282 ( 5.733 0.000 1.859) 6.027 8.407 ( 4.553 0.000 5.965) 7.504 8.564 ( 2.969 0.000 -5.388) 6.152 8.971 ( 10.228 0.000 -6.039) 11.878 9.222 ( 6.110 0.000 -1.802) 6.370 ======================= Grid point 49 (20/84) ======================= q-point: ( 0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.288 ( 5.022 0.000 3.703) 6.240 1.331 ( 3.046 0.000 7.332) 7.940 1.395 ( 2.726 0.000 2.220) 3.515 1.522 ( -4.519 0.000 2.932) 5.387 1.553 ( -0.066 0.000 2.059) 2.060 1.575 ( -2.575 0.000 -1.532) 2.996 1.704 ( -1.036 0.000 -2.404) 2.618 1.799 ( -2.513 0.000 2.260) 3.379 1.878 ( 3.280 0.000 -4.550) 5.610 1.971 ( 0.192 0.000 -4.505) 4.509 1.995 ( 7.281 0.000 -3.400) 8.035 2.033 ( 5.443 0.000 3.968) 6.736 2.119 ( -3.202 0.000 -4.433) 5.469 2.248 ( -0.131 0.000 -0.717) 0.729 2.268 ( -1.582 0.000 2.967) 3.363 2.286 ( -0.816 0.000 3.638) 3.729 2.454 ( -0.787 0.000 -1.633) 1.813 2.498 ( 4.408 0.000 -0.573) 4.445 2.520 ( 1.294 0.000 4.094) 4.293 2.653 ( -2.608 0.000 -1.634) 3.077 2.718 ( 2.064 0.000 3.157) 3.772 2.730 ( -0.142 0.000 1.393) 1.400 2.804 ( 0.464 0.000 2.732) 2.772 2.810 ( 0.327 0.000 1.756) 1.786 2.845 ( 1.374 0.000 2.467) 2.824 2.878 ( 3.499 0.000 0.214) 3.506 3.007 ( 1.840 0.000 2.322) 2.963 3.046 ( -0.323 0.000 -1.426) 1.462 3.081 ( 0.111 0.000 -0.591) 0.601 3.198 ( 0.269 0.000 -2.326) 2.342 3.208 ( 1.109 0.000 -0.052) 1.110 3.290 ( 3.227 0.000 2.193) 3.902 3.340 ( 1.822 0.000 -1.186) 2.174 3.360 ( 0.648 0.000 -2.817) 2.890 3.433 ( 0.539 0.000 0.370) 0.654 3.447 ( 1.553 0.000 -0.088) 1.556 5.274 ( -0.286 0.000 1.459) 1.486 5.275 ( 0.985 0.000 0.050) 0.986 5.285 ( 0.949 0.000 -1.785) 2.021 5.420 ( 1.224 0.000 0.382) 1.282 5.630 ( 0.633 0.000 -0.943) 1.136 5.678 ( 2.171 0.000 0.306) 2.193 5.739 ( 2.631 0.000 -0.266) 2.644 5.818 ( -0.064 0.000 -1.927) 1.928 5.860 ( -0.770 0.000 -1.585) 1.762 5.902 ( 2.654 0.000 -0.699) 2.744 5.942 ( -0.370 0.000 0.516) 0.635 5.977 ( -0.154 0.000 -0.772) 0.787 6.035 ( 2.817 0.000 -0.683) 2.898 6.086 ( 0.960 0.000 1.668) 1.924 6.180 ( 2.005 0.000 2.117) 2.916 6.286 ( 3.216 0.000 -0.587) 3.269 6.288 ( 1.484 0.000 1.913) 2.421 6.340 ( 3.032 0.000 2.890) 4.189 6.521 ( 4.678 0.000 -1.097) 4.805 6.693 ( 2.667 0.000 -4.346) 5.099 6.955 ( 3.912 0.000 4.474) 5.943 7.049 ( 2.220 0.000 4.311) 4.849 7.179 ( 9.267 0.000 1.949) 9.470 7.356 ( -2.064 0.000 3.069) 3.698 7.507 ( 1.139 0.000 5.935) 6.043 7.578 ( 1.457 0.000 -0.626) 1.586 7.581 ( 1.053 0.000 7.779) 7.850 7.707 ( 4.500 0.000 -2.837) 5.320 7.899 ( 5.177 0.000 -4.410) 6.801 8.015 ( -1.085 0.000 -5.654) 5.757 8.390 ( 4.189 0.000 1.936) 4.615 8.442 ( 6.726 0.000 -6.183) 9.136 8.470 ( 0.844 0.000 4.578) 4.655 8.580 ( -1.422 0.000 -5.538) 5.718 9.139 ( 6.378 0.000 -6.183) 8.883 9.278 ( -0.639 0.000 -3.743) 3.798 ======================= Grid point 50 (21/84) ======================= q-point: (-0.44 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( -7.762 0.000 5.298) 9.398 1.300 ( -5.381 0.000 4.729) 7.164 1.435 ( -0.341 0.000 1.044) 1.098 1.503 ( 3.557 0.000 4.338) 5.610 1.514 ( -1.718 0.000 -3.907) 4.269 1.621 ( 5.017 0.000 5.006) 7.087 1.676 ( -1.479 0.000 -3.454) 3.758 1.755 ( -1.618 0.000 1.604) 2.278 1.880 ( -2.751 0.000 -4.546) 5.313 1.945 ( -3.107 0.000 -3.353) 4.571 2.079 ( 0.718 0.000 -4.228) 4.288 2.086 ( 0.147 0.000 3.024) 3.027 2.097 ( 0.370 0.000 -2.436) 2.464 2.249 ( -1.589 0.000 4.953) 5.202 2.263 ( 1.085 0.000 0.210) 1.106 2.277 ( 1.777 0.000 0.961) 2.020 2.432 ( -0.795 0.000 -1.768) 1.938 2.516 ( -4.021 0.000 -0.068) 4.022 2.545 ( -0.107 0.000 4.394) 4.395 2.626 ( 2.691 0.000 0.449) 2.729 2.719 ( -1.861 0.000 -2.349) 2.997 2.726 ( -1.194 0.000 1.678) 2.059 2.785 ( -1.824 0.000 3.247) 3.725 2.837 ( 2.559 0.000 3.265) 4.148 2.852 ( -1.530 0.000 1.853) 2.403 2.906 ( -1.052 0.000 1.864) 2.140 3.018 ( -1.174 0.000 3.036) 3.255 3.027 ( -1.097 0.000 -1.611) 1.949 3.100 ( 1.072 0.000 -0.903) 1.402 3.185 ( -1.521 0.000 -1.154) 1.909 3.194 ( -1.636 0.000 -0.246) 1.654 3.317 ( -3.838 0.000 -2.039) 4.346 3.326 ( -0.246 0.000 1.964) 1.980 3.356 ( -0.344 0.000 -2.910) 2.931 3.426 ( -1.197 0.000 -0.059) 1.199 3.434 ( -2.871 0.000 -0.198) 2.878 5.275 ( 0.317 0.000 1.355) 1.392 5.287 ( 0.113 0.000 0.543) 0.555 5.293 ( -0.017 0.000 -1.301) 1.301 5.433 ( -0.090 0.000 0.437) 0.446 5.627 ( -0.741 0.000 -0.802) 1.092 5.667 ( -3.227 0.000 -0.427) 3.255 5.750 ( -1.567 0.000 0.249) 1.586 5.813 ( -0.425 0.000 -2.191) 2.232 5.835 ( -1.620 0.000 -2.075) 2.633 5.903 ( -2.268 0.000 -1.051) 2.500 5.946 ( 0.663 0.000 0.735) 0.990 5.971 ( -0.397 0.000 -1.088) 1.158 6.033 ( -2.903 0.000 -0.028) 2.903 6.071 ( -2.487 0.000 1.160) 2.745 6.193 ( -0.381 0.000 1.760) 1.801 6.286 ( -3.582 0.000 0.350) 3.599 6.290 ( -1.652 0.000 1.676) 2.353 6.352 ( -2.101 0.000 2.925) 3.602 6.549 ( -2.207 0.000 0.235) 2.219 6.690 ( -2.326 0.000 -4.952) 5.471 6.968 ( -3.033 0.000 5.348) 6.148 7.040 ( -3.294 0.000 3.790) 5.021 7.209 ( -9.502 0.000 3.104) 9.997 7.306 ( -0.141 0.000 0.647) 0.662 7.519 ( -0.361 0.000 5.883) 5.894 7.562 ( -3.051 0.000 -1.481) 3.391 7.594 ( -0.254 0.000 9.283) 9.287 7.741 ( -1.001 0.000 -1.289) 1.632 7.869 ( -6.661 0.000 -5.427) 8.592 8.023 ( 1.043 0.000 -5.243) 5.346 8.431 ( -1.348 0.000 4.424) 4.625 8.442 ( -2.927 0.000 2.820) 4.064 8.461 ( -6.213 0.000 -5.138) 8.062 8.544 ( 0.283 0.000 -7.361) 7.366 9.172 ( -5.556 0.000 -4.262) 7.003 9.214 ( -2.381 0.000 -6.934) 7.331 ======================= Grid point 51 (22/84) ======================= q-point: (-0.33 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -12.596 0.000 4.959) 13.537 1.106 ( -13.237 0.000 6.107) 14.578 1.436 ( 0.952 0.000 -2.478) 2.654 1.475 ( -3.393 0.000 -5.097) 6.123 1.593 ( 4.109 0.000 6.229) 7.462 1.649 ( -0.725 0.000 -5.492) 5.540 1.698 ( -0.367 0.000 6.192) 6.203 1.738 ( -0.531 0.000 3.037) 3.083 1.812 ( -9.222 0.000 0.176) 9.224 1.818 ( -2.033 0.000 -3.245) 3.829 2.024 ( -5.125 0.000 -2.291) 5.614 2.028 ( -5.325 0.000 2.281) 5.793 2.087 ( -3.910 0.000 -2.650) 4.724 2.228 ( -1.770 0.000 1.979) 2.655 2.258 ( -2.326 0.000 -1.181) 2.609 2.292 ( -0.636 0.000 1.164) 1.326 2.419 ( -0.877 0.000 -0.382) 0.956 2.434 ( -3.541 0.000 -1.663) 3.913 2.519 ( -1.694 0.000 2.832) 3.300 2.644 ( -3.499 0.000 -1.430) 3.780 2.695 ( 1.954 0.000 0.543) 2.028 2.705 ( -2.607 0.000 1.852) 3.198 2.744 ( -0.295 0.000 1.012) 1.055 2.820 ( -1.425 0.000 2.051) 2.497 2.853 ( -1.767 0.000 1.683) 2.440 2.921 ( 1.991 0.000 3.130) 3.709 2.975 ( -1.407 0.000 3.934) 4.178 2.986 ( -1.932 0.000 -1.964) 2.755 3.114 ( -0.502 0.000 0.545) 0.741 3.136 ( -3.271 0.000 -0.629) 3.330 3.177 ( -0.292 0.000 0.421) 0.512 3.206 ( -5.644 0.000 -1.398) 5.814 3.289 ( -2.261 0.000 0.503) 2.317 3.346 ( -5.330 0.000 -0.179) 5.333 3.350 ( -0.526 0.000 -1.451) 1.543 3.391 ( -1.948 0.000 -0.839) 2.121 5.273 ( -1.718 0.000 0.259) 1.737 5.276 ( -0.969 0.000 -1.050) 1.429 5.292 ( 0.443 0.000 1.216) 1.294 5.414 ( -2.034 0.000 -0.187) 2.043 5.554 ( -8.021 0.000 -0.329) 8.028 5.606 ( -1.171 0.000 -0.933) 1.497 5.688 ( -4.472 0.000 0.079) 4.473 5.770 ( -5.400 0.000 -2.709) 6.042 5.792 ( -2.712 0.000 -2.276) 3.541 5.843 ( -2.153 0.000 -0.576) 2.228 5.903 ( -8.769 0.000 0.542) 8.786 5.926 ( -6.150 0.000 1.787) 6.405 5.972 ( 0.335 0.000 3.315) 3.331 5.975 ( -7.090 0.000 -0.623) 7.117 6.166 ( -3.569 0.000 0.608) 3.621 6.176 ( -4.391 0.000 0.617) 4.434 6.220 ( -5.340 0.000 -0.426) 5.357 6.285 ( -3.687 0.000 1.544) 3.998 6.452 ( -6.513 0.000 -0.414) 6.526 6.605 ( -5.627 0.000 -5.812) 8.090 6.855 ( -8.208 0.000 6.363) 10.385 6.931 ( -7.712 0.000 3.897) 8.641 6.949 ( -15.365 0.000 3.093) 15.674 7.234 ( -7.154 0.000 1.780) 7.372 7.463 ( -6.376 0.000 -2.598) 6.885 7.498 ( -2.401 0.000 4.941) 5.493 7.582 ( -1.835 0.000 10.091) 10.257 7.668 ( -6.064 0.000 -0.187) 6.067 7.701 ( -8.605 0.000 -5.920) 10.445 7.994 ( -3.543 0.000 -7.106) 7.940 8.290 ( -9.240 0.000 -4.650) 10.344 8.326 ( -6.608 0.000 2.575) 7.092 8.397 ( -3.679 0.000 6.734) 7.673 8.515 ( -2.533 0.000 -7.805) 8.206 8.987 ( -10.537 0.000 -5.883) 12.068 9.129 ( -6.496 0.000 -5.067) 8.239 ======================= Grid point 52 (23/84) ======================= q-point: (-0.22 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.797 ( -15.011 0.000 8.003) 17.011 0.820 ( -15.222 0.000 9.055) 17.712 1.367 ( -6.087 0.000 -3.845) 7.200 1.385 ( -23.842 0.000 6.272) 24.653 1.460 ( -0.146 0.000 -2.704) 2.708 1.630 ( -1.307 0.000 -6.886) 7.009 1.678 ( 2.573 0.000 0.830) 2.703 1.737 ( -1.405 0.000 3.606) 3.870 1.781 ( 2.014 0.000 7.153) 7.431 1.782 ( -2.446 0.000 1.202) 2.725 1.850 ( -11.055 0.000 -2.394) 11.312 1.902 ( -6.362 0.000 -2.896) 6.990 1.993 ( -3.596 0.000 -3.756) 5.200 2.103 ( -7.662 0.000 -4.360) 8.816 2.230 ( -5.031 0.000 4.665) 6.861 2.239 ( -1.232 0.000 0.380) 1.289 2.371 ( -1.924 0.000 -3.981) 4.422 2.387 ( -1.796 0.000 0.559) 1.881 2.487 ( -3.406 0.000 0.283) 3.417 2.593 ( -2.077 0.000 1.430) 2.522 2.645 ( -2.172 0.000 1.953) 2.921 2.710 ( -0.358 0.000 -0.290) 0.461 2.742 ( -1.285 0.000 0.164) 1.296 2.799 ( -0.854 0.000 4.506) 4.586 2.822 ( -2.100 0.000 2.211) 3.049 2.892 ( -1.925 0.000 1.609) 2.509 2.988 ( 0.100 0.000 2.200) 2.202 3.006 ( -0.338 0.000 1.427) 1.467 3.064 ( -2.667 0.000 -0.133) 2.671 3.068 ( -3.849 0.000 -1.681) 4.200 3.080 ( -2.780 0.000 0.298) 2.796 3.221 ( 1.371 0.000 -0.112) 1.376 3.271 ( 0.037 0.000 1.133) 1.134 3.285 ( 2.284 0.000 0.009) 2.284 3.336 ( -0.547 0.000 -1.223) 1.339 3.371 ( 0.652 0.000 -0.777) 1.014 5.217 ( -3.858 0.000 -0.095) 3.860 5.239 ( -2.848 0.000 -1.275) 3.120 5.294 ( -1.558 0.000 0.646) 1.687 5.340 ( -5.593 0.000 -1.224) 5.725 5.343 ( -12.648 0.000 0.825) 12.675 5.528 ( -11.683 0.000 -1.684) 11.804 5.542 ( -12.444 0.000 -0.220) 12.446 5.619 ( -4.836 0.000 -1.870) 5.185 5.694 ( -6.239 0.000 1.150) 6.344 5.700 ( -8.729 0.000 1.868) 8.926 5.733 ( -8.791 0.000 2.906) 9.259 5.833 ( -0.924 0.000 -1.584) 1.834 5.870 ( -1.899 0.000 -2.486) 3.128 5.946 ( -4.477 0.000 1.381) 4.685 6.102 ( -2.363 0.000 -1.398) 2.746 6.117 ( -2.810 0.000 -1.051) 3.001 6.129 ( -0.967 0.000 -0.744) 1.220 6.233 ( -1.871 0.000 0.545) 1.949 6.311 ( -7.517 0.000 -6.337) 9.832 6.483 ( -5.276 0.000 -2.796) 5.971 6.657 ( -13.087 0.000 3.212) 13.475 6.679 ( -9.337 0.000 7.559) 12.013 6.755 ( -9.827 0.000 4.214) 10.692 7.056 ( -9.852 0.000 6.127) 11.602 7.321 ( -7.232 0.000 -3.763) 8.152 7.410 ( -6.975 0.000 1.993) 7.254 7.518 ( -8.398 0.000 0.356) 8.405 7.528 ( -4.005 0.000 1.913) 4.438 7.577 ( -2.632 0.000 2.608) 3.705 7.887 ( -5.840 0.000 -7.573) 9.563 8.120 ( -6.994 0.000 -4.035) 8.074 8.209 ( -4.794 0.000 2.377) 5.350 8.322 ( -3.776 0.000 8.730) 9.512 8.456 ( -2.168 0.000 -7.720) 8.019 8.788 ( -8.342 0.000 -6.225) 10.409 8.972 ( -8.070 0.000 -2.879) 8.569 ======================= Grid point 53 (24/84) ======================= q-point: (-0.11 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( -12.192 0.000 14.250) 18.754 0.556 ( -10.836 0.000 16.211) 19.499 0.873 ( -24.313 0.000 17.096) 29.722 1.269 ( -2.854 0.000 -1.041) 3.038 1.415 ( -4.694 0.000 -0.466) 4.717 1.539 ( -8.931 0.000 -2.152) 9.187 1.596 ( -5.752 0.000 -5.029) 7.640 1.669 ( -2.880 0.000 -7.719) 8.239 1.689 ( -5.176 0.000 0.185) 5.179 1.722 ( -6.527 0.000 -2.351) 6.938 1.809 ( 2.229 0.000 -3.275) 3.961 1.908 ( 6.569 0.000 6.339) 9.129 2.003 ( 6.037 0.000 1.245) 6.164 2.007 ( -1.333 0.000 -4.468) 4.663 2.140 ( -8.985 0.000 -3.221) 9.545 2.204 ( 1.436 0.000 0.312) 1.470 2.324 ( -2.521 0.000 -1.998) 3.217 2.359 ( -0.743 0.000 3.539) 3.616 2.418 ( -2.642 0.000 1.297) 2.943 2.556 ( -0.783 0.000 5.076) 5.136 2.599 ( -2.441 0.000 2.376) 3.406 2.698 ( -1.401 0.000 -0.792) 1.609 2.720 ( -0.374 0.000 0.844) 0.923 2.770 ( -2.901 0.000 5.353) 6.088 2.771 ( -2.710 0.000 1.196) 2.962 2.831 ( -4.457 0.000 -1.141) 4.601 2.920 ( -4.392 0.000 1.765) 4.734 2.967 ( -0.967 0.000 -0.550) 1.112 3.013 ( -0.853 0.000 -1.051) 1.354 3.048 ( -0.433 0.000 0.881) 0.981 3.108 ( 2.547 0.000 0.017) 2.547 3.242 ( 1.513 0.000 -0.203) 1.526 3.328 ( -0.071 0.000 -1.075) 1.077 3.334 ( 3.825 0.000 3.134) 4.945 3.358 ( 3.961 0.000 -0.946) 4.072 3.420 ( 3.346 0.000 0.677) 3.414 5.045 ( -13.458 0.000 0.974) 13.494 5.110 ( -7.845 0.000 -0.298) 7.851 5.113 ( -10.435 0.000 -1.178) 10.501 5.202 ( -6.281 0.000 0.336) 6.290 5.269 ( -2.337 0.000 0.915) 2.510 5.274 ( -9.331 0.000 -2.416) 9.638 5.314 ( -5.857 0.000 0.536) 5.881 5.399 ( -17.748 0.000 -11.234) 21.005 5.604 ( -3.691 0.000 2.916) 4.704 5.636 ( -1.163 0.000 1.086) 1.591 5.643 ( 0.701 0.000 2.238) 2.345 5.751 ( -5.041 0.000 -0.247) 5.047 5.884 ( 2.618 0.000 -2.937) 3.935 5.917 ( 2.256 0.000 -0.426) 2.296 6.064 ( -1.089 0.000 -1.541) 1.887 6.069 ( -5.348 0.000 -3.036) 6.149 6.128 ( 0.301 0.000 -1.850) 1.874 6.182 ( -2.440 0.000 -2.406) 3.427 6.199 ( -1.562 0.000 -1.041) 1.878 6.391 ( -5.014 0.000 2.937) 5.811 6.485 ( -3.026 0.000 -2.152) 3.713 6.520 ( -6.637 0.000 8.705) 10.946 6.576 ( -7.644 0.000 4.808) 9.030 6.910 ( -3.819 0.000 10.106) 10.803 7.191 ( -4.913 0.000 -4.547) 6.695 7.265 ( -6.229 0.000 -0.882) 6.291 7.362 ( -6.637 0.000 0.409) 6.650 7.467 ( -1.629 0.000 -3.233) 3.620 7.571 ( 1.744 0.000 8.681) 8.855 7.790 ( -2.624 0.000 -5.084) 5.721 8.013 ( -3.490 0.000 -3.660) 5.057 8.152 ( -0.939 0.000 2.117) 2.316 8.289 ( 1.127 0.000 11.485) 11.540 8.430 ( -0.063 0.000 -7.207) 7.207 8.665 ( -3.323 0.000 -5.849) 6.727 8.840 ( -4.290 0.000 -1.160) 4.444 ======================= Grid point 54 (25/84) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.366 ( 0.797 9.154 12.443) 15.468 0.547 ( 2.989 11.838 12.317) 17.342 1.039 ( 2.629 18.872 21.459) 28.698 1.096 ( 2.677 -11.276 2.778) 11.917 1.229 ( -2.136 -17.044 -4.984) 17.885 1.452 ( 0.394 1.296 -2.931) 3.229 1.477 ( 1.805 -0.939 -5.360) 5.733 1.533 ( -0.578 2.693 -2.377) 3.638 1.662 ( -3.337 5.218 -1.505) 6.374 1.752 ( -0.765 2.476 -2.874) 3.870 1.803 ( -3.967 -8.804 -1.004) 9.708 1.904 ( 1.614 1.816 -5.979) 6.454 1.963 ( 0.208 -5.853 -0.042) 5.857 2.079 ( -1.404 -0.447 -0.467) 1.546 2.157 ( 4.815 -3.596 2.199) 6.399 2.228 ( 5.378 2.618 0.053) 5.982 2.282 ( -1.703 3.700 1.968) 4.524 2.363 ( -2.064 2.192 2.290) 3.783 2.411 ( -1.761 1.369 2.698) 3.501 2.542 ( -0.131 -3.613 3.579) 5.087 2.600 ( -0.880 -0.204 1.288) 1.574 2.649 ( -0.919 0.122 0.958) 1.333 2.691 ( 0.801 2.734 1.148) 3.071 2.714 ( -0.503 -0.815 4.052) 4.164 2.764 ( -1.541 0.356 -1.890) 2.465 2.769 ( -0.374 0.836 0.506) 1.047 2.853 ( 0.521 -1.196 1.641) 2.097 2.984 ( 0.896 -4.401 -2.061) 4.941 3.023 ( 0.133 3.118 -2.560) 4.036 3.092 ( -0.461 2.535 1.326) 2.898 3.120 ( 0.051 -1.227 -0.405) 1.293 3.231 ( 0.287 -5.711 0.762) 5.768 3.296 ( 1.381 0.879 1.387) 2.146 3.369 ( -0.092 -0.625 -0.909) 1.107 3.459 ( -0.625 2.102 0.145) 2.198 3.485 ( 0.488 0.972 1.296) 1.692 4.906 ( 0.339 0.519 0.800) 1.012 4.948 ( 0.052 -1.347 -0.278) 1.376 5.020 ( 0.124 1.898 -0.926) 2.115 5.111 ( -0.657 -1.888 -0.969) 2.221 5.196 ( 5.025 -0.487 -0.026) 5.048 5.205 ( 3.549 -0.856 -0.115) 3.653 5.240 ( 1.324 0.606 -0.578) 1.567 5.267 ( 0.125 -0.393 -0.168) 0.445 5.604 ( 0.580 2.278 3.129) 3.914 5.644 ( -0.371 0.552 1.298) 1.459 5.678 ( 2.062 0.175 2.381) 3.154 5.684 ( -0.410 -0.989 3.555) 3.712 5.915 ( -0.944 0.443 0.079) 1.046 5.960 ( 1.434 -0.909 -0.162) 1.705 6.031 ( 0.364 2.071 -3.700) 4.256 6.054 ( -0.827 -0.005 -0.839) 1.178 6.130 ( -0.472 0.802 -3.225) 3.356 6.158 ( -0.595 1.141 -3.699) 3.916 6.181 ( 1.152 -1.174 -3.343) 3.726 6.282 ( -0.165 -5.084 0.047) 5.087 6.398 ( 1.015 1.325 4.828) 5.108 6.522 ( -1.632 -0.999 4.307) 4.712 6.574 ( -0.657 5.652 4.285) 7.123 6.871 ( -0.111 -5.850 1.291) 5.991 7.202 ( 1.411 4.732 -5.811) 7.626 7.261 ( 0.395 4.002 -3.467) 5.309 7.351 ( -0.272 4.398 -2.192) 4.922 7.448 ( 1.570 -1.689 -3.846) 4.485 7.620 ( -0.948 0.512 6.218) 6.311 7.736 ( -0.352 -3.520 -1.618) 3.890 8.087 ( -0.006 6.129 -3.699) 7.159 8.150 ( 0.362 -0.522 1.594) 1.716 8.316 ( 0.402 -2.993 -0.900) 3.151 8.468 ( 0.601 -3.608 -1.980) 4.159 8.700 ( 1.044 3.047 -6.336) 7.107 8.801 ( 1.832 -1.574 -2.213) 3.275 ======================= Grid point 55 (26/84) ======================= q-point: ( 0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.553 ( 13.806 4.477 10.656) 18.005 0.793 ( 15.751 8.020 11.026) 20.833 1.162 ( 1.402 -13.165 -0.205) 13.241 1.221 ( 12.918 9.439 14.068) 21.304 1.294 ( 10.529 -9.904 2.146) 14.614 1.527 ( 4.210 2.286 -1.338) 4.974 1.592 ( 7.379 0.003 -5.551) 9.233 1.600 ( 6.789 -0.757 -5.118) 8.536 1.628 ( 1.198 4.599 -1.741) 5.061 1.748 ( 2.050 3.865 -4.196) 6.062 1.759 ( 2.520 1.331 -1.671) 3.303 1.893 ( -1.500 1.308 -3.754) 4.249 1.980 ( 0.969 -7.704 1.050) 7.836 2.036 ( -1.950 -1.863 -0.148) 2.701 2.187 ( -2.674 -1.337 2.650) 3.995 2.252 ( 0.150 1.779 2.220) 2.848 2.339 ( 0.012 1.922 0.467) 1.978 2.358 ( 6.800 2.673 2.053) 7.589 2.410 ( 3.687 -1.619 1.747) 4.389 2.535 ( 0.496 0.408 3.951) 4.002 2.643 ( 1.415 -0.928 -0.530) 1.773 2.669 ( 1.683 -0.509 2.793) 3.300 2.705 ( 0.954 0.524 -0.958) 1.450 2.724 ( 1.015 -1.623 3.665) 4.135 2.759 ( 2.347 -1.223 -1.532) 3.058 2.813 ( 3.267 2.771 1.840) 4.662 2.894 ( 2.800 -0.274 0.071) 2.814 2.973 ( -0.807 -0.268 0.176) 0.868 3.022 ( 0.397 -1.209 -1.467) 1.943 3.050 ( -3.617 -1.685 -0.455) 4.016 3.127 ( 2.281 1.689 1.432) 3.180 3.217 ( -1.620 -4.998 1.071) 5.362 3.277 ( -2.460 0.311 0.294) 2.497 3.328 ( -3.213 0.149 -2.045) 3.812 3.400 ( -4.131 1.999 0.020) 4.589 3.450 ( -3.266 0.019 1.016) 3.420 5.053 ( 12.520 0.777 0.364) 12.549 5.104 ( 13.029 -1.409 -1.296) 13.169 5.136 ( 5.194 0.132 0.464) 5.216 5.144 ( 8.298 0.133 -0.999) 8.359 5.229 ( 2.294 0.818 0.158) 2.441 5.269 ( 3.621 -0.855 0.177) 3.725 5.328 ( 7.787 2.578 -2.272) 8.511 5.503 ( 8.512 -4.910 -4.330) 10.738 5.642 ( 1.756 1.844 2.181) 3.353 5.663 ( 3.602 0.509 1.786) 4.053 5.697 ( 2.740 1.323 3.275) 4.471 5.777 ( 6.579 -3.908 2.747) 8.130 5.923 ( 3.304 -0.255 -0.794) 3.408 5.954 ( -1.074 -0.400 0.322) 1.190 5.989 ( -3.655 0.401 0.269) 3.686 6.058 ( 2.222 -1.520 -2.899) 3.956 6.152 ( 2.255 3.506 -4.631) 6.231 6.179 ( 1.808 -0.291 -2.807) 3.351 6.237 ( 3.597 -0.173 -1.746) 4.003 6.302 ( 1.819 -4.751 -2.572) 5.700 6.471 ( 5.917 -0.317 4.885) 7.679 6.542 ( 3.852 0.054 5.075) 6.372 6.650 ( 7.568 4.919 4.100) 9.914 6.920 ( 5.488 -3.772 2.789) 7.220 7.233 ( 2.731 4.517 -2.711) 5.933 7.327 ( 6.109 3.961 -3.765) 8.196 7.385 ( 4.339 5.467 -1.863) 7.225 7.479 ( 0.754 -0.967 1.844) 2.214 7.574 ( -1.514 0.843 6.346) 6.579 7.743 ( 2.617 -4.565 -4.152) 6.703 8.094 ( 1.578 6.160 -3.556) 7.286 8.162 ( 0.881 -0.173 2.409) 2.571 8.268 ( -0.987 -0.044 2.653) 2.831 8.450 ( 0.429 -1.867 -2.770) 3.368 8.667 ( 1.418 1.880 -3.465) 4.190 8.858 ( 5.269 -3.728 -1.016) 6.534 ======================= Grid point 56 (27/84) ======================= q-point: ( 0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.852 ( 14.451 1.816 7.425) 16.348 1.080 ( 11.955 8.078 8.023) 16.509 1.216 ( 3.931 -10.605 -1.061) 11.360 1.469 ( 8.800 -3.498 2.726) 9.854 1.512 ( 9.048 -0.954 3.134) 9.623 1.603 ( 3.282 1.729 -1.733) 4.094 1.645 ( 4.757 3.473 -0.748) 5.937 1.720 ( 2.872 -1.298 -3.703) 4.862 1.736 ( 5.976 4.995 -2.210) 8.096 1.808 ( -0.513 2.982 1.940) 3.594 1.869 ( 6.035 -1.626 -1.234) 6.371 1.882 ( 2.788 1.062 -4.205) 5.156 2.047 ( 5.841 -3.281 1.572) 6.882 2.062 ( 5.320 -2.754 -1.639) 6.211 2.165 ( 0.942 -1.745 1.049) 2.243 2.254 ( 1.041 -2.045 4.296) 4.870 2.391 ( 4.339 3.736 -2.817) 6.381 2.446 ( 2.143 2.731 0.344) 3.488 2.494 ( 2.267 0.102 2.712) 3.536 2.571 ( 2.948 1.260 3.325) 4.619 2.664 ( 0.934 0.165 0.889) 1.300 2.687 ( 0.512 -0.898 1.079) 1.494 2.724 ( 0.459 -1.927 3.444) 3.973 2.751 ( 2.128 -0.729 -2.566) 3.412 2.821 ( 3.043 -2.664 1.271) 4.239 2.878 ( 2.141 1.711 2.509) 3.716 2.943 ( 2.176 -1.729 -0.679) 2.861 2.954 ( -1.559 1.409 -0.215) 2.112 2.988 ( -0.785 -1.929 -0.054) 2.084 3.060 ( 2.396 -3.931 1.040) 4.720 3.182 ( -0.016 -0.739 -0.821) 1.105 3.198 ( 2.606 1.625 1.339) 3.350 3.250 ( 0.105 -0.818 -0.659) 1.056 3.283 ( 0.676 1.164 -0.567) 1.460 3.341 ( -1.175 0.670 -1.786) 2.240 3.396 ( -1.370 -0.761 0.678) 1.708 5.179 ( 2.111 -0.580 -1.372) 2.584 5.215 ( 2.745 -1.417 -1.990) 3.675 5.292 ( 3.336 2.265 0.168) 4.036 5.339 ( 5.133 0.346 0.660) 5.187 5.376 ( 12.755 1.236 0.927) 12.848 5.464 ( 14.811 -1.617 -0.527) 14.909 5.528 ( 10.263 1.132 -2.286) 10.575 5.587 ( 3.482 -2.410 -1.217) 4.406 5.721 ( 7.078 1.294 0.987) 7.263 5.746 ( 5.662 0.828 1.746) 5.983 5.837 ( 8.679 2.331 3.559) 9.666 5.858 ( 2.300 0.996 -0.376) 2.535 5.928 ( -1.178 0.555 -0.429) 1.371 5.959 ( 1.241 1.581 0.561) 2.087 6.044 ( 6.664 -2.656 -0.555) 7.196 6.093 ( 1.508 -3.077 -0.740) 3.506 6.209 ( 2.576 1.069 0.085) 2.791 6.219 ( 3.519 2.052 -5.427) 6.785 6.302 ( 3.756 0.141 0.164) 3.762 6.365 ( 4.850 -5.337 -4.232) 8.362 6.643 ( 10.866 -1.176 5.055) 12.041 6.687 ( 9.810 0.966 4.871) 10.995 6.840 ( 10.180 5.083 3.256) 11.835 7.089 ( 10.091 -1.228 3.227) 10.666 7.334 ( 6.949 1.105 0.048) 7.037 7.452 ( 4.924 1.771 -1.192) 5.367 7.490 ( 4.206 1.096 1.575) 4.623 7.527 ( 6.654 4.416 -0.511) 8.003 7.602 ( 3.490 1.348 3.090) 4.852 7.834 ( 5.895 -6.782 -5.394) 10.481 8.161 ( 5.087 3.385 -1.946) 6.413 8.208 ( 3.897 1.795 2.478) 4.955 8.319 ( 4.982 0.673 -0.588) 5.062 8.498 ( 4.274 -1.057 -2.904) 5.274 8.769 ( 8.332 0.674 -4.350) 9.423 9.003 ( 8.531 -5.422 -1.086) 10.166 ======================= Grid point 57 (28/84) ======================= q-point: ( 0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.106 ( 9.988 0.684 4.499) 10.975 1.276 ( 6.515 2.015 0.744) 6.860 1.299 ( 4.996 -0.715 4.780) 6.951 1.561 ( 0.288 -1.752 1.210) 2.149 1.619 ( -1.016 -0.632 -0.917) 1.508 1.665 ( 1.023 3.149 0.036) 3.312 1.691 ( 5.396 -2.505 1.496) 6.135 1.743 ( 1.125 2.067 -3.269) 4.028 1.821 ( 2.873 1.443 -0.649) 3.280 1.851 ( 1.481 1.374 0.767) 2.161 1.912 ( 3.057 -1.494 -4.616) 5.735 1.986 ( 6.090 1.694 1.296) 6.453 2.138 ( 1.411 0.217 -2.255) 2.669 2.184 ( 3.886 -6.014 0.539) 7.180 2.207 ( 1.367 -3.942 2.251) 4.740 2.269 ( 1.321 -1.299 1.178) 2.195 2.463 ( 2.166 2.473 -0.207) 3.294 2.476 ( -1.094 1.686 1.610) 2.575 2.525 ( 3.847 3.964 0.993) 5.612 2.644 ( 2.480 -1.060 3.510) 4.426 2.674 ( 1.344 2.254 -0.748) 2.729 2.704 ( 1.033 -2.601 1.494) 3.173 2.742 ( 1.468 -0.909 2.166) 2.770 2.786 ( 0.436 0.184 -0.120) 0.488 2.868 ( 0.595 1.178 -0.389) 1.376 2.891 ( -0.184 1.222 2.111) 2.445 2.909 ( 1.618 -2.769 1.553) 3.563 3.010 ( 2.650 -0.143 -1.228) 2.924 3.035 ( 3.639 -3.573 2.213) 5.560 3.085 ( 1.090 -4.325 0.392) 4.477 3.208 ( 1.597 0.583 -0.659) 1.824 3.255 ( 3.334 3.092 -1.403) 4.759 3.276 ( 3.441 -0.429 0.111) 3.469 3.336 ( 0.970 0.471 -2.035) 2.303 3.364 ( 4.311 -1.036 0.361) 4.448 3.406 ( 1.819 -0.818 0.259) 2.011 5.220 ( 2.138 -0.686 -0.803) 2.385 5.253 ( 1.564 -1.381 -0.911) 2.276 5.326 ( 0.608 3.216 -0.316) 3.288 5.395 ( 1.366 0.281 0.608) 1.522 5.580 ( 6.191 0.734 0.282) 6.240 5.625 ( 4.916 1.721 -0.821) 5.273 5.648 ( 4.312 -1.137 -0.993) 4.568 5.752 ( 8.368 -3.407 -0.101) 9.036 5.817 ( 1.147 0.283 -2.067) 2.381 5.869 ( 2.246 -1.609 -1.632) 3.209 5.887 ( 1.908 0.339 2.206) 2.936 5.928 ( 1.691 -0.945 3.444) 3.952 6.023 ( 7.029 3.418 1.556) 7.969 6.027 ( 6.615 4.135 -0.995) 7.865 6.127 ( 2.230 -0.838 -0.033) 2.383 6.166 ( 5.267 -2.036 -1.306) 5.796 6.277 ( 4.333 1.196 -0.549) 4.529 6.285 ( 3.604 3.543 -0.253) 5.060 6.406 ( 6.051 0.020 0.301) 6.058 6.481 ( 6.677 -7.510 -3.424) 10.616 6.885 ( 11.463 1.886 5.045) 12.665 6.910 ( 11.946 0.780 3.776) 12.552 7.022 ( 7.135 4.689 2.627) 8.933 7.264 ( 6.139 -1.715 1.668) 6.589 7.458 ( 4.188 1.556 3.287) 5.546 7.507 ( 2.198 -0.358 2.766) 3.551 7.614 ( 7.268 -2.486 -0.520) 7.699 7.663 ( 6.672 1.952 0.341) 6.961 7.705 ( 5.505 5.049 -1.343) 7.589 7.925 ( 2.922 -6.665 -3.782) 8.202 8.276 ( 6.145 0.830 1.012) 6.283 8.320 ( 6.642 3.977 0.965) 7.802 8.436 ( 6.300 0.770 -4.214) 7.618 8.590 ( 4.281 1.063 -3.299) 5.508 8.955 ( 9.761 -0.332 -5.326) 11.125 9.156 ( 6.065 -5.742 -2.430) 8.698 ======================= Grid point 58 (29/84) ======================= q-point: ( 0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.234 ( 2.324 -0.876 2.015) 3.198 1.354 ( 3.183 -3.312 0.072) 4.594 1.407 ( 3.209 2.946 5.618) 7.109 1.501 ( -4.307 -1.456 1.766) 4.878 1.592 ( -0.456 3.118 -1.679) 3.570 1.651 ( -1.498 3.997 0.795) 4.341 1.739 ( -0.892 4.687 0.259) 4.778 1.797 ( -0.021 -3.945 0.266) 3.954 1.850 ( 3.687 0.758 1.004) 3.895 1.920 ( 4.333 0.748 -2.925) 5.281 1.955 ( 2.021 -1.881 -6.263) 6.845 2.084 ( -2.432 -2.377 -3.004) 4.537 2.127 ( 4.154 -1.922 0.496) 4.604 2.171 ( -1.904 -3.729 -0.026) 4.187 2.222 ( 0.565 -0.398 2.688) 2.775 2.317 ( 0.226 0.739 4.042) 4.115 2.458 ( -0.310 2.143 1.673) 2.736 2.502 ( 2.162 -0.922 4.512) 5.087 2.581 ( 1.659 3.803 -1.571) 4.437 2.647 ( -2.200 -0.557 -0.928) 2.452 2.701 ( 1.343 -2.209 3.561) 4.400 2.732 ( 1.042 -0.072 2.940) 3.120 2.766 ( -1.238 -0.104 2.454) 2.750 2.796 ( 2.250 -1.080 -0.792) 2.618 2.861 ( 0.210 1.252 -0.567) 1.390 2.897 ( -0.725 -2.137 1.208) 2.560 2.990 ( 4.430 0.577 2.060) 4.920 3.052 ( 0.779 0.030 -0.781) 1.103 3.069 ( 1.027 -0.750 0.400) 1.333 3.123 ( 0.932 -3.121 -0.215) 3.264 3.237 ( 1.276 0.503 0.539) 1.473 3.301 ( 1.471 -0.309 -1.291) 1.981 3.341 ( 1.056 0.488 -0.441) 1.245 3.358 ( 1.699 0.164 -2.430) 2.969 3.423 ( 1.245 -0.613 0.468) 1.464 3.440 ( 0.932 -0.752 0.122) 1.204 5.259 ( 1.780 -0.123 0.143) 1.790 5.277 ( 0.824 -0.240 -0.169) 0.875 5.327 ( -0.235 2.759 -0.597) 2.832 5.411 ( 0.259 -0.884 0.606) 1.102 5.637 ( 1.066 0.897 -0.614) 1.523 5.702 ( 1.994 0.636 -0.767) 2.229 5.725 ( 2.372 0.096 0.707) 2.477 5.806 ( -0.732 -0.316 -1.512) 1.710 5.862 ( 1.559 -2.962 -0.494) 3.383 5.871 ( 0.700 -1.762 -1.123) 2.203 5.911 ( 0.035 -0.109 0.365) 0.383 5.952 ( 0.625 -0.802 1.123) 1.515 6.103 ( 1.694 3.034 -2.760) 4.437 6.114 ( 1.484 2.519 1.821) 3.444 6.178 ( 1.638 0.106 0.582) 1.742 6.256 ( 3.137 -1.266 0.422) 3.409 6.334 ( 2.096 2.678 -0.504) 3.438 6.375 ( 3.224 2.789 2.377) 4.880 6.506 ( 3.171 -1.614 -0.084) 3.559 6.590 ( 3.679 -6.810 -1.887) 7.967 7.053 ( 4.528 7.553 3.271) 9.394 7.106 ( 2.802 3.581 2.850) 5.366 7.141 ( 7.599 -2.192 3.560) 8.673 7.312 ( -1.276 -1.587 1.367) 2.453 7.503 ( 0.608 1.007 4.828) 4.969 7.549 ( 1.516 0.401 3.397) 3.742 7.737 ( 3.466 3.430 0.966) 4.971 7.767 ( 2.483 -2.418 -1.851) 3.929 7.794 ( 3.998 -1.319 -2.378) 4.835 7.943 ( -0.295 -3.985 -0.931) 4.103 8.380 ( 3.322 0.842 3.083) 4.610 8.433 ( 3.713 4.035 0.555) 5.512 8.537 ( 3.732 0.590 -6.319) 7.363 8.632 ( -0.119 2.711 -5.005) 5.693 9.113 ( 5.814 -1.760 -5.987) 8.529 9.214 ( -0.306 -5.232 -4.044) 6.619 ======================= Grid point 59 (30/84) ======================= q-point: (-0.44 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( -5.117 -0.468 0.484) 5.162 1.380 ( -4.160 0.662 4.640) 6.267 1.411 ( 0.025 -5.088 -2.495) 5.667 1.444 ( -1.958 -0.438 2.532) 3.230 1.600 ( 0.742 4.751 1.485) 5.033 1.638 ( 0.744 2.377 1.404) 2.859 1.710 ( -1.961 4.184 -1.038) 4.736 1.783 ( -0.029 1.172 0.783) 1.410 1.884 ( -2.572 0.509 -2.549) 3.656 1.913 ( -1.623 -1.358 -2.801) 3.510 2.021 ( 1.717 -2.459 -3.502) 4.611 2.063 ( 1.842 -3.113 -3.640) 5.131 2.143 ( -1.469 -1.742 1.788) 2.897 2.187 ( 1.446 -3.996 1.687) 4.573 2.246 ( 1.151 2.038 1.826) 2.968 2.289 ( -2.282 0.821 5.199) 5.737 2.470 ( 0.807 3.579 0.702) 3.735 2.530 ( -0.590 -0.384 3.961) 4.023 2.555 ( -3.109 1.338 -0.974) 3.522 2.633 ( 0.244 -1.440 0.139) 1.467 2.701 ( -1.571 -0.107 3.084) 3.463 2.741 ( 0.147 0.498 0.670) 0.848 2.752 ( -0.158 -2.282 2.871) 3.671 2.804 ( -2.172 -0.305 -0.800) 2.335 2.870 ( 0.933 -1.071 1.199) 1.859 2.881 ( -0.287 -1.663 1.209) 2.076 3.027 ( -3.132 -0.511 -0.876) 3.292 3.041 ( -0.075 0.838 1.830) 2.015 3.075 ( -0.499 -0.586 -0.276) 0.818 3.111 ( -1.603 -2.037 0.731) 2.693 3.249 ( -0.242 1.126 0.217) 1.172 3.308 ( -1.081 -1.499 -0.555) 1.930 3.324 ( -2.422 0.991 -1.058) 2.822 3.369 ( -0.564 0.433 -2.347) 2.453 3.417 ( -1.353 -0.571 -0.196) 1.482 3.427 ( -2.356 -0.547 0.453) 2.461 5.283 ( -0.089 0.528 0.659) 0.849 5.290 ( 1.031 0.651 0.921) 1.528 5.318 ( -0.673 1.681 -1.440) 2.314 5.406 ( -0.799 -2.165 0.424) 2.346 5.638 ( -0.809 1.238 -0.364) 1.523 5.694 ( -2.766 1.897 -0.909) 3.475 5.733 ( -1.126 -1.439 0.392) 1.869 5.789 ( -1.132 -0.425 -0.765) 1.431 5.843 ( -1.696 -2.396 -1.514) 3.303 5.873 ( -2.070 -2.126 -0.691) 3.047 5.913 ( -0.071 0.462 -0.167) 0.496 5.959 ( 0.060 -0.681 0.560) 0.883 6.097 ( -1.871 2.288 -1.147) 3.171 6.112 ( -2.001 3.933 0.510) 4.442 6.189 ( -0.336 -0.186 0.415) 0.565 6.260 ( -2.972 -1.222 0.646) 3.278 6.334 ( -2.417 2.568 0.125) 3.529 6.392 ( -1.845 3.275 2.487) 4.507 6.506 ( -3.375 -3.555 -0.008) 4.902 6.612 ( -1.359 -5.555 -1.562) 5.928 7.038 ( -5.498 5.550 4.094) 8.820 7.118 ( -2.406 5.588 1.997) 6.403 7.152 ( -7.659 -3.131 4.323) 9.336 7.285 ( -0.694 -0.701 0.701) 1.210 7.501 ( -1.104 -0.355 3.886) 4.055 7.568 ( -0.039 1.411 3.535) 3.807 7.728 ( -5.584 -7.378 -1.802) 9.427 7.742 ( -2.888 7.487 2.198) 8.320 7.827 ( -0.944 -0.119 -3.605) 3.729 7.946 ( 0.129 -3.831 0.520) 3.869 8.388 ( -2.848 1.044 2.913) 4.205 8.444 ( -2.873 2.650 2.245) 4.507 8.553 ( -2.447 0.797 -8.627) 9.002 8.589 ( -2.580 3.209 -4.573) 6.153 9.129 ( -6.123 -3.240 -4.784) 8.419 9.167 ( -1.510 -3.702 -6.490) 7.623 ======================= Grid point 60 (31/84) ======================= q-point: (-0.33 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.046 ( -10.414 2.596 -0.278) 10.736 1.225 ( -11.129 5.194 6.587) 13.936 1.367 ( -2.321 -6.302 -3.251) 7.461 1.435 ( -1.775 -3.656 -0.598) 4.108 1.595 ( -1.696 0.301 5.186) 5.464 1.654 ( -0.090 -0.106 0.073) 0.157 1.677 ( -0.820 1.749 -3.090) 3.644 1.783 ( -5.816 0.977 -2.453) 6.387 1.798 ( -0.138 2.529 0.920) 2.695 1.877 ( -2.457 2.162 0.583) 3.325 1.994 ( -4.572 -1.702 -3.112) 5.787 2.045 ( -2.290 -2.477 -0.179) 3.378 2.108 ( -3.888 3.477 2.390) 5.737 2.191 ( -1.799 -2.517 0.752) 3.184 2.227 ( -2.933 -1.314 -1.104) 3.398 2.258 ( -2.583 -1.713 3.497) 4.672 2.445 ( -2.584 2.249 -1.875) 3.905 2.482 ( -3.783 2.043 0.369) 4.315 2.533 ( 0.093 1.079 2.215) 2.465 2.610 ( -0.854 -3.127 2.143) 3.886 2.692 ( -0.692 -0.431 0.717) 1.085 2.708 ( -4.948 1.026 0.612) 5.090 2.730 ( -0.897 -1.987 2.539) 3.347 2.788 ( 2.105 -0.296 0.893) 2.306 2.855 ( -1.561 -1.329 1.253) 2.403 2.929 ( 2.905 -1.649 0.833) 3.442 2.944 ( -3.705 -1.319 -0.285) 3.943 3.002 ( -2.516 1.830 1.627) 3.511 3.050 ( -3.184 -3.449 0.580) 4.730 3.087 ( 0.148 -1.532 2.059) 2.571 3.210 ( -5.114 0.681 -1.715) 5.437 3.254 ( -1.208 2.740 0.552) 3.045 3.279 ( -2.203 -1.270 -0.513) 2.594 3.324 ( -4.186 -0.330 -0.893) 4.293 3.375 ( -1.669 0.685 -0.230) 1.819 3.390 ( -1.087 0.054 -0.853) 1.383 5.271 ( -1.233 0.558 1.307) 1.881 5.293 ( -1.650 0.920 -1.774) 2.591 5.304 ( -0.001 0.710 0.489) 0.862 5.376 ( -2.455 -2.815 -0.168) 3.739 5.581 ( -6.717 1.968 0.336) 7.008 5.624 ( -2.624 1.606 -1.225) 3.311 5.683 ( -3.819 -0.642 0.731) 3.941 5.748 ( -5.269 -1.897 -0.920) 5.675 5.776 ( -3.547 -1.172 -0.708) 3.802 5.819 ( -2.901 -2.290 -1.015) 3.833 5.879 ( -4.298 1.740 -1.947) 5.029 5.941 ( -2.919 -1.319 1.595) 3.578 6.016 ( -5.813 2.977 -0.269) 6.536 6.037 ( -5.584 4.899 2.015) 7.696 6.148 ( -5.814 -1.934 -0.894) 6.192 6.167 ( -3.233 -0.470 1.153) 3.464 6.254 ( -4.864 1.999 -0.523) 5.284 6.313 ( -5.534 3.132 1.070) 6.448 6.402 ( -5.636 -3.898 -1.832) 7.094 6.539 ( -5.406 -5.112 -2.111) 7.734 6.870 ( -11.617 1.298 5.550) 12.940 6.931 ( -11.387 0.516 5.205) 12.531 7.031 ( -7.473 5.910 2.244) 9.788 7.213 ( -6.695 -0.511 0.987) 6.787 7.458 ( -3.954 -0.978 1.926) 4.505 7.541 ( -2.938 2.538 0.741) 3.953 7.578 ( -7.983 -7.340 -2.028) 11.032 7.658 ( -5.204 6.235 5.800) 9.980 7.759 ( -5.415 3.442 -2.242) 6.797 7.914 ( -3.448 -5.243 -2.008) 6.589 8.287 ( -6.635 0.784 0.204) 6.685 8.342 ( -6.514 1.842 3.150) 7.466 8.448 ( -6.236 1.960 -6.443) 9.178 8.528 ( -3.690 0.755 -3.335) 5.030 8.956 ( -9.707 -1.753 -5.460) 11.274 9.080 ( -6.715 -4.235 -5.267) 9.527 ======================= Grid point 61 (32/84) ======================= q-point: (-0.22 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.800 ( -13.912 5.999 0.497) 15.158 0.980 ( -13.496 8.809 9.087) 18.502 1.298 ( -5.718 -10.580 -2.141) 12.215 1.353 ( -4.930 -3.466 -2.662) 6.588 1.465 ( -16.633 3.584 7.879) 18.751 1.619 ( -3.132 -2.945 0.044) 4.300 1.639 ( -2.777 -0.787 -3.071) 4.214 1.668 ( -0.458 0.595 -1.688) 1.847 1.793 ( -2.345 0.807 0.368) 2.507 1.832 ( -1.458 0.726 -0.999) 1.911 1.905 ( -3.339 2.731 1.241) 4.488 1.950 ( -9.332 4.646 0.077) 10.425 2.027 ( -1.361 1.256 -2.002) 2.727 2.099 ( -7.406 -0.577 -3.726) 8.310 2.122 ( -3.596 -4.943 0.216) 6.117 2.198 ( -3.302 -4.658 2.031) 6.061 2.372 ( -4.538 1.324 1.774) 5.049 2.434 ( -1.260 0.492 -1.009) 1.687 2.523 ( -2.012 2.448 0.841) 3.279 2.584 ( -2.472 -0.993 2.400) 3.586 2.628 ( -1.363 -0.154 1.851) 2.304 2.694 ( -0.758 -2.056 2.106) 3.040 2.718 ( -0.305 0.477 0.988) 1.139 2.799 ( -1.256 0.635 1.583) 2.118 2.827 ( -1.377 -0.616 1.661) 2.244 2.892 ( -2.443 -2.269 1.744) 3.762 2.959 ( -1.603 -2.714 -0.093) 3.153 2.981 ( 0.219 1.741 0.217) 1.768 2.990 ( -1.283 -4.437 0.481) 4.644 3.076 ( -2.236 -0.086 0.935) 2.425 3.130 ( -1.301 1.439 -0.021) 1.940 3.217 ( -2.556 -1.911 0.950) 3.330 3.234 ( -0.657 1.147 -1.758) 2.200 3.299 ( 1.957 -0.226 -0.293) 1.991 3.367 ( 1.300 1.620 -0.093) 2.079 3.385 ( 1.061 1.036 -0.270) 1.507 5.223 ( -3.894 0.648 -0.367) 3.965 5.250 ( -2.834 0.955 -0.913) 3.127 5.287 ( -2.679 -1.081 -1.024) 3.065 5.297 ( -5.944 -1.689 0.256) 6.185 5.383 ( -11.833 1.885 1.481) 12.073 5.486 ( -14.027 -2.621 -0.019) 14.269 5.567 ( -9.690 1.185 -1.358) 9.856 5.615 ( -5.483 -0.497 -2.165) 5.916 5.691 ( -6.677 1.259 1.058) 6.876 5.718 ( -5.203 1.704 0.382) 5.488 5.774 ( -8.292 0.895 2.885) 8.825 5.795 ( -5.063 -2.064 -2.519) 6.020 5.919 ( -2.885 3.646 -1.005) 4.757 5.956 ( -3.269 1.215 1.389) 3.754 6.058 ( -3.387 -2.847 -0.297) 4.435 6.086 ( -2.899 -1.881 -0.584) 3.505 6.181 ( -2.000 1.360 -0.645) 2.503 6.224 ( -2.902 0.144 -1.450) 3.247 6.302 ( -4.448 -0.253 -4.866) 6.598 6.422 ( -5.411 -4.211 -2.455) 7.282 6.628 ( -11.684 1.037 6.215) 13.275 6.732 ( -9.159 0.578 6.417) 11.199 6.850 ( -10.262 6.502 2.983) 12.509 7.047 ( -8.956 0.174 3.234) 9.524 7.334 ( -7.662 -0.810 -0.821) 7.749 7.425 ( -6.721 0.329 -3.382) 7.531 7.479 ( -3.516 0.192 -1.101) 3.689 7.562 ( -5.549 1.472 4.463) 7.271 7.636 ( -5.271 4.751 2.777) 7.620 7.824 ( -4.636 -4.686 -3.333) 7.386 8.160 ( -5.299 2.429 -2.602) 6.383 8.227 ( -4.958 1.504 2.622) 5.807 8.327 ( -4.987 0.483 -0.527) 5.038 8.453 ( -2.972 -0.943 -3.754) 4.880 8.769 ( -7.862 -0.537 -5.240) 9.463 8.923 ( -7.789 -4.279 -3.166) 9.434 ======================= Grid point 62 (33/84) ======================= q-point: (-0.11 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.520 ( -13.402 8.217 5.182) 16.552 0.706 ( -14.701 10.638 8.576) 20.071 1.116 ( -12.297 15.264 14.614) 24.450 1.152 ( -7.873 -10.511 2.779) 13.423 1.282 ( -2.857 -10.840 -3.797) 11.836 1.531 ( -6.064 -1.401 -7.142) 9.473 1.550 ( -6.830 -2.290 0.009) 7.204 1.607 ( -5.041 0.327 -3.795) 6.318 1.730 ( -2.517 2.095 -0.786) 3.368 1.784 ( -3.099 -0.409 1.080) 3.307 1.852 ( -3.119 -3.581 1.318) 4.928 1.859 ( 1.669 2.733 -2.369) 3.983 1.986 ( -1.821 -1.323 -3.828) 4.441 2.037 ( 4.567 0.967 -0.431) 4.688 2.130 ( -3.246 -0.113 0.001) 3.248 2.145 ( 2.643 -2.667 0.458) 3.783 2.301 ( -1.604 0.228 1.113) 1.966 2.384 ( -2.548 -0.330 2.168) 3.362 2.472 ( -3.681 2.551 2.611) 5.184 2.551 ( -0.932 -1.003 3.109) 3.397 2.613 ( -0.614 0.571 2.213) 2.367 2.674 ( -0.287 1.220 1.238) 1.762 2.709 ( -1.667 0.098 1.464) 2.221 2.753 ( -3.348 -0.562 2.952) 4.499 2.790 ( -2.076 0.703 0.103) 2.195 2.825 ( -3.756 -0.795 0.276) 3.849 2.896 ( -4.029 -2.049 1.178) 4.671 2.964 ( -0.248 -4.262 -1.473) 4.516 3.000 ( 1.619 2.569 -1.342) 3.320 3.081 ( 1.664 -1.207 0.978) 2.277 3.105 ( -0.458 2.256 0.408) 2.338 3.214 ( 0.944 -4.445 0.807) 4.616 3.255 ( 2.157 1.032 -0.123) 2.394 3.342 ( 2.153 -0.911 -1.496) 2.776 3.423 ( 3.333 2.206 0.643) 4.048 3.436 ( 3.406 1.413 1.010) 3.823 5.052 ( -13.496 0.705 0.728) 13.534 5.097 ( -11.528 -0.959 -0.095) 11.568 5.123 ( -7.595 0.763 -1.164) 7.722 5.181 ( -6.094 -1.555 -0.084) 6.290 5.259 ( -5.759 -0.373 -0.791) 5.825 5.274 ( -2.906 -0.206 1.004) 3.082 5.326 ( -9.121 0.836 -1.586) 9.295 5.372 ( -16.628 -1.598 -7.637) 18.368 5.626 ( -2.838 1.524 2.409) 4.022 5.648 ( -0.611 0.302 1.967) 2.082 5.661 ( -1.307 1.892 1.906) 2.987 5.725 ( -3.421 -1.331 2.388) 4.379 5.909 ( 1.147 1.381 -1.733) 2.495 5.927 ( 1.145 0.976 -0.502) 1.586 6.027 ( -0.512 -1.411 0.011) 1.501 6.054 ( -0.559 -1.727 -1.874) 2.609 6.160 ( -0.777 -0.251 -1.404) 1.624 6.182 ( -1.354 1.025 -4.246) 4.573 6.215 ( -3.619 1.276 -3.375) 5.110 6.331 ( -3.863 -4.255 -1.795) 6.021 6.445 ( -6.552 1.942 5.929) 9.047 6.588 ( -5.511 -0.643 5.741) 7.984 6.663 ( -7.945 6.339 3.688) 10.812 6.910 ( -4.399 -1.364 3.774) 5.955 7.211 ( -3.275 2.828 -2.987) 5.258 7.306 ( -4.452 3.342 -3.248) 6.445 7.403 ( -4.259 2.182 -2.133) 5.239 7.456 ( -2.918 -0.874 -1.927) 3.604 7.600 ( 0.570 3.004 8.376) 8.916 7.752 ( -1.997 -3.125 -2.291) 4.360 8.093 ( -0.996 5.556 -4.119) 6.988 8.157 ( -1.942 0.664 1.953) 2.833 8.273 ( 0.037 -0.776 3.457) 3.543 8.428 ( 1.088 -1.768 -3.747) 4.283 8.664 ( -1.615 0.924 -4.355) 4.736 8.804 ( -3.203 -3.131 -1.819) 4.834 ======================= Grid point 63 (34/84) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 2.118 -20.535 -0.914) 20.664 0.748 ( 2.118 20.535 -0.914) 20.664 0.841 ( -1.846 -15.225 3.160) 15.658 0.841 ( -1.846 15.225 3.160) 15.658 1.421 ( 2.730 -9.585 3.053) 10.424 1.421 ( 2.730 9.585 3.053) 10.424 1.496 ( -1.245 -6.914 0.795) 7.070 1.496 ( -1.245 6.914 0.795) 7.070 1.704 ( 0.446 -4.169 1.348) 4.404 1.704 ( 0.446 4.169 1.348) 4.404 1.806 ( -1.229 -5.583 -1.820) 5.999 1.806 ( -1.229 5.583 -1.820) 5.999 1.983 ( -0.099 -4.494 -3.127) 5.476 1.983 ( -0.099 4.494 -3.127) 5.476 2.207 ( 1.167 -4.216 -0.018) 4.374 2.207 ( 1.167 4.216 -0.018) 4.374 2.363 ( 1.579 -2.791 2.563) 4.105 2.363 ( 1.579 2.791 2.563) 4.105 2.462 ( -0.618 -3.011 2.958) 4.266 2.462 ( -0.618 3.011 2.958) 4.266 2.622 ( -1.735 -1.879 0.754) 2.667 2.622 ( -1.735 1.879 0.754) 2.667 2.710 ( -1.540 -0.527 1.495) 2.210 2.710 ( -1.540 0.527 1.495) 2.210 2.804 ( -0.172 -1.593 0.745) 1.767 2.804 ( -0.172 1.593 0.745) 1.767 2.860 ( 1.655 -5.753 0.586) 6.015 2.860 ( 1.655 5.753 0.586) 6.015 3.084 ( -0.423 -2.278 -1.985) 3.050 3.084 ( -0.423 2.278 -1.985) 3.050 3.139 ( 0.151 -2.716 1.092) 2.931 3.139 ( 0.151 2.716 1.092) 2.931 3.335 ( 0.459 -2.235 0.121) 2.285 3.335 ( 0.459 2.235 0.121) 2.285 3.488 ( -0.284 -0.717 0.551) 0.948 3.488 ( -0.284 0.717 0.551) 0.948 4.923 ( 0.267 -1.017 0.248) 1.080 4.923 ( 0.267 1.017 0.248) 1.080 5.065 ( 0.147 -2.256 -1.032) 2.485 5.065 ( 0.147 2.256 -1.032) 2.485 5.195 ( 2.268 -0.277 -0.056) 2.285 5.195 ( 2.268 0.277 -0.056) 2.285 5.255 ( 0.150 -0.678 -0.438) 0.821 5.255 ( 0.150 0.678 -0.438) 0.821 5.641 ( 0.558 -1.072 2.180) 2.493 5.641 ( 0.558 1.072 2.180) 2.493 5.680 ( -0.068 -0.887 3.539) 3.650 5.680 ( -0.068 0.887 3.539) 3.650 5.935 ( 0.100 -1.267 -0.216) 1.289 5.935 ( 0.100 1.267 -0.216) 1.289 6.051 ( -0.275 -0.336 -1.459) 1.522 6.051 ( -0.275 0.336 -1.459) 1.522 6.144 ( 0.875 -1.433 -3.166) 3.584 6.144 ( 0.875 1.433 -3.166) 3.584 6.205 ( -0.539 -2.592 -3.879) 4.697 6.205 ( -0.539 2.592 -3.879) 4.697 6.459 ( -0.571 -3.618 6.537) 7.493 6.459 ( -0.571 3.618 6.537) 7.493 6.720 ( -0.985 -7.549 2.809) 8.114 6.720 ( -0.985 7.549 2.809) 8.114 7.292 ( 0.920 -2.136 -6.014) 6.448 7.292 ( 0.920 2.136 -6.014) 6.448 7.410 ( 1.109 -1.640 -3.042) 3.630 7.410 ( 1.109 1.640 -3.042) 3.630 7.664 ( -1.209 -3.032 2.725) 4.252 7.664 ( -1.209 3.032 2.725) 4.252 8.147 ( -0.097 -0.061 1.228) 1.234 8.147 ( -0.097 0.061 1.228) 1.234 8.356 ( 0.435 -5.650 -3.960) 6.913 8.356 ( 0.435 5.650 -3.960) 6.913 8.754 ( 1.344 -2.451 -3.994) 4.875 8.754 ( 1.344 2.451 -3.994) 4.875 ======================= Grid point 65 (35/84) ======================= q-point: ( 0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.815 ( 5.831 -17.062 0.128) 18.031 0.815 ( 5.831 17.062 0.128) 18.031 1.002 ( 13.672 -11.603 6.673) 19.134 1.002 ( 13.672 11.603 6.673) 19.134 1.514 ( 4.748 -8.272 1.928) 9.731 1.514 ( 4.748 8.272 1.928) 9.731 1.575 ( 8.512 -0.563 -4.398) 9.598 1.575 ( 8.512 0.563 -4.398) 9.598 1.720 ( 2.609 -4.498 1.250) 5.348 1.720 ( 2.609 4.498 1.250) 5.348 1.814 ( 1.902 -4.169 -2.151) 5.062 1.814 ( 1.902 4.169 -2.151) 5.062 1.981 ( -0.297 -3.921 -1.060) 4.073 1.981 ( -0.297 3.921 -1.060) 4.073 2.205 ( -2.149 -3.795 3.032) 5.311 2.205 ( -2.149 3.795 3.032) 5.312 2.356 ( 2.422 -1.720 2.562) 3.923 2.356 ( 2.422 1.720 2.562) 3.923 2.503 ( 2.438 -4.834 1.828) 5.714 2.503 ( 2.438 4.834 1.828) 5.714 2.644 ( 2.673 -1.514 -1.526) 3.430 2.644 ( 2.673 1.514 -1.526) 3.430 2.697 ( -0.020 -0.177 3.798) 3.802 2.697 ( -0.020 0.177 3.798) 3.802 2.817 ( 0.891 -3.964 -0.543) 4.099 2.817 ( 0.891 3.964 -0.543) 4.099 2.907 ( 2.969 -3.616 1.704) 4.979 2.907 ( 2.969 3.616 1.704) 4.979 3.029 ( -3.453 -0.812 -1.501) 3.852 3.029 ( -3.453 0.812 -1.501) 3.852 3.151 ( 1.009 -1.342 1.014) 1.962 3.151 ( 1.009 1.342 1.014) 1.962 3.307 ( -2.538 -1.834 -1.011) 3.291 3.307 ( -2.538 1.834 -1.011) 3.291 3.435 ( -4.144 -1.327 0.111) 4.352 3.435 ( -4.144 1.327 0.111) 4.352 5.075 ( 12.864 -1.267 -0.408) 12.933 5.075 ( 12.864 1.267 -0.408) 12.933 5.141 ( 5.740 -0.286 -0.222) 5.752 5.141 ( 5.740 0.286 -0.222) 5.752 5.249 ( 3.227 -1.012 0.332) 3.398 5.249 ( 3.227 1.012 0.332) 3.398 5.401 ( 10.931 -4.290 -3.226) 12.178 5.401 ( 10.931 4.290 -3.226) 12.178 5.666 ( 2.091 -0.626 2.316) 3.182 5.666 ( 2.091 0.626 2.316) 3.182 5.726 ( 5.355 -1.592 4.421) 7.124 5.726 ( 5.355 1.592 4.421) 7.124 5.938 ( 0.364 -1.124 -0.399) 1.247 5.938 ( 0.364 1.124 -0.399) 1.247 6.012 ( -1.576 -1.959 -0.820) 2.644 6.012 ( -1.576 1.959 -0.820) 2.644 6.191 ( 2.300 -1.504 -3.115) 4.154 6.191 ( 2.300 1.504 -3.115) 4.154 6.233 ( 3.154 -2.137 -4.166) 5.645 6.233 ( 3.154 2.138 -4.166) 5.645 6.502 ( 4.644 -2.473 6.710) 8.526 6.502 ( 4.644 2.473 6.710) 8.526 6.786 ( 7.333 -7.318 2.325) 10.617 6.786 ( 7.333 7.318 2.325) 10.617 7.343 ( 4.135 -3.246 -5.324) 7.482 7.343 ( 4.135 3.246 -5.324) 7.482 7.456 ( 3.563 -1.350 -0.974) 3.933 7.456 ( 3.563 1.350 -0.974) 3.933 7.638 ( -0.565 -4.594 2.676) 5.346 7.638 ( -0.565 4.594 2.676) 5.346 8.162 ( 1.353 -0.666 1.527) 2.147 8.162 ( 1.353 0.666 1.527) 2.147 8.341 ( 0.263 -6.727 -3.968) 7.814 8.341 ( 0.263 6.727 -3.968) 7.814 8.756 ( 1.960 -5.393 -1.749) 5.998 8.756 ( 1.960 5.393 -1.749) 5.998 ======================= Grid point 67 (36/84) ======================= q-point: ( 0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.988 ( 10.245 -9.850 1.954) 14.345 0.988 ( 10.245 9.850 1.954) 14.345 1.264 ( 10.991 -9.645 5.865) 15.755 1.264 ( 10.991 9.645 5.865) 15.755 1.598 ( 3.207 -2.621 -2.831) 5.017 1.598 ( 3.207 2.621 -2.831) 5.017 1.710 ( 4.393 -1.762 -4.826) 6.760 1.710 ( 4.393 1.762 -4.826) 6.760 1.801 ( 3.855 -4.509 -0.485) 5.952 1.801 ( 3.855 4.509 -0.485) 5.952 1.909 ( 6.289 -6.033 2.166) 8.980 1.909 ( 6.289 6.033 2.166) 8.980 1.980 ( 1.888 -5.524 -0.408) 5.852 1.980 ( 1.888 5.524 -0.408) 5.852 2.187 ( 1.056 -3.142 2.237) 3.999 2.187 ( 1.056 3.142 2.237) 3.999 2.448 ( 4.527 -2.445 0.908) 5.225 2.448 ( 4.527 2.445 0.908) 5.225 2.553 ( 2.690 -3.807 3.130) 5.615 2.553 ( 2.690 3.807 3.130) 5.615 2.683 ( -0.426 -0.338 1.613) 1.703 2.683 ( -0.426 0.338 1.613) 1.703 2.709 ( 2.708 -2.388 0.854) 3.710 2.709 ( 2.708 2.388 0.854) 3.710 2.843 ( 1.679 -4.449 -0.535) 4.785 2.843 ( 1.679 4.449 -0.535) 4.785 2.948 ( 0.087 -3.505 1.482) 3.806 2.948 ( 0.087 3.505 1.482) 3.806 2.983 ( -0.107 -1.285 -0.148) 1.298 2.983 ( -0.107 1.285 -0.148) 1.298 3.193 ( 2.759 -1.491 1.028) 3.300 3.193 ( 2.759 1.491 1.028) 3.300 3.275 ( 0.391 -1.830 -2.547) 3.160 3.275 ( 0.391 1.830 -2.547) 3.160 3.367 ( -1.829 -1.705 -0.063) 2.502 3.367 ( -1.829 1.705 -0.063) 2.502 5.185 ( 2.031 -1.071 -1.808) 2.922 5.185 ( 2.031 1.071 -1.808) 2.922 5.330 ( 4.983 -1.204 1.049) 5.233 5.330 ( 4.983 1.204 1.049) 5.233 5.419 ( 14.424 -2.407 0.747) 14.642 5.419 ( 14.424 2.407 0.747) 14.642 5.551 ( 5.555 -1.186 -3.049) 6.447 5.551 ( 5.555 1.186 -3.049) 6.447 5.742 ( 5.455 -0.890 1.451) 5.714 5.742 ( 5.455 0.890 1.451) 5.714 5.875 ( 5.123 -0.590 1.865) 5.484 5.875 ( 5.123 0.590 1.865) 5.484 5.971 ( 4.923 -3.663 0.410) 6.150 5.971 ( 4.923 3.663 0.410) 6.150 6.014 ( 2.302 -3.585 -0.462) 4.286 6.014 ( 2.302 3.585 -0.462) 4.286 6.241 ( 3.479 -2.643 -2.349) 4.960 6.241 ( 3.479 2.643 -2.349) 4.960 6.295 ( 3.270 -2.726 -2.976) 5.194 6.295 ( 3.270 2.726 -2.976) 5.194 6.661 ( 10.631 -2.091 6.579) 12.675 6.661 ( 10.631 2.091 6.579) 12.675 6.982 ( 10.831 -7.493 1.123) 13.218 6.982 ( 10.831 7.493 1.123) 13.218 7.429 ( 4.596 -3.960 -2.350) 6.506 7.429 ( 4.596 3.960 -2.350) 6.506 7.526 ( 2.959 -3.490 1.607) 4.850 7.526 ( 2.959 3.490 1.607) 4.850 7.698 ( 6.239 -5.148 0.613) 8.112 7.698 ( 6.239 5.148 0.613) 8.112 8.213 ( 4.179 -2.029 1.232) 4.806 8.213 ( 4.179 2.029 1.232) 4.806 8.401 ( 5.596 -6.842 -4.313) 9.835 8.401 ( 5.596 6.842 -4.313) 9.835 8.861 ( 7.795 -6.967 -2.085) 10.661 8.861 ( 7.795 6.967 -2.085) 10.661 ======================= Grid point 69 (37/84) ======================= q-point: ( 0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.174 ( 7.469 -5.104 1.188) 9.124 1.174 ( 7.469 5.104 1.188) 9.124 1.433 ( 5.147 -7.470 5.484) 10.600 1.433 ( 5.147 7.470 5.484) 10.600 1.627 ( 0.472 -1.822 -5.119) 5.454 1.627 ( 0.472 1.822 -5.119) 5.454 1.767 ( 2.200 -3.818 -2.293) 4.967 1.767 ( 2.200 3.818 -2.293) 4.967 1.854 ( 2.260 -1.927 0.279) 2.983 1.854 ( 2.260 1.927 0.279) 2.983 1.965 ( 1.605 -6.512 0.108) 6.707 1.965 ( 1.605 6.512 0.108) 6.707 2.088 ( 3.707 -2.842 0.272) 4.679 2.088 ( 3.707 2.842 0.272) 4.679 2.222 ( 2.696 -3.403 1.481) 4.587 2.222 ( 2.696 3.403 1.481) 4.587 2.490 ( -0.458 -1.240 2.210) 2.575 2.490 ( -0.458 1.240 2.210) 2.575 2.617 ( 3.073 -2.721 1.217) 4.281 2.617 ( 3.073 2.721 1.217) 4.281 2.673 ( 0.156 -1.160 2.778) 3.014 2.673 ( 0.156 1.160 2.778) 3.014 2.769 ( 2.079 -2.188 -0.175) 3.023 2.769 ( 2.079 2.188 -0.175) 3.023 2.865 ( 0.339 -1.510 -0.558) 1.645 2.865 ( 0.339 1.510 -0.558) 1.645 2.953 ( 1.945 -4.105 2.890) 5.384 2.953 ( 1.945 4.105 2.890) 5.384 3.023 ( 3.349 -0.951 -0.344) 3.499 3.023 ( 3.349 0.951 -0.344) 3.499 3.237 ( 1.812 -2.154 -0.174) 2.820 3.237 ( 1.812 2.154 -0.174) 2.820 3.319 ( 2.826 -2.329 -1.800) 4.081 3.319 ( 2.826 2.329 -1.800) 4.081 3.375 ( 2.360 -1.754 0.144) 2.944 3.375 ( 2.360 1.754 0.144) 2.944 5.225 ( 2.181 -1.001 -0.937) 2.576 5.225 ( 2.181 1.001 -0.937) 2.576 5.382 ( 0.828 -1.702 0.502) 1.958 5.382 ( 0.828 1.702 0.502) 1.959 5.609 ( 4.727 -1.781 -0.475) 5.074 5.609 ( 4.727 1.781 -0.475) 5.074 5.681 ( 7.289 -2.998 -0.292) 7.887 5.681 ( 7.289 2.998 -0.292) 7.887 5.831 ( 1.441 -1.218 -1.322) 2.304 5.831 ( 1.441 1.218 -1.322) 2.304 5.909 ( 1.243 -1.004 2.559) 3.017 5.909 ( 1.243 1.004 2.559) 3.017 6.089 ( 4.310 -1.991 0.212) 4.753 6.089 ( 4.310 1.991 0.212) 4.753 6.112 ( 6.587 -2.716 -1.447) 7.270 6.112 ( 6.587 2.716 -1.447) 7.270 6.330 ( 4.622 -3.296 -2.390) 6.159 6.330 ( 4.622 3.296 -2.390) 6.159 6.376 ( 5.724 -2.131 0.565) 6.134 6.376 ( 5.724 2.131 0.565) 6.134 6.908 ( 12.681 -1.300 5.544) 13.901 6.908 ( 12.681 1.300 5.544) 13.901 7.170 ( 7.249 -7.821 -0.202) 10.666 7.170 ( 7.249 7.821 -0.202) 10.666 7.512 ( 3.572 -1.269 2.150) 4.358 7.512 ( 3.572 1.269 2.150) 4.358 7.588 ( 3.164 -7.863 0.078) 8.476 7.588 ( 3.164 7.863 0.078) 8.476 7.827 ( 5.584 -3.862 0.722) 6.828 7.827 ( 5.584 3.862 0.722) 6.828 8.330 ( 6.924 -3.434 0.451) 7.742 8.330 ( 6.924 3.434 0.451) 7.742 8.522 ( 5.953 -6.976 -4.768) 10.336 8.522 ( 5.953 6.976 -4.768) 10.336 9.018 ( 7.230 -6.050 -3.730) 10.138 9.018 ( 7.230 6.050 -3.730) 10.138 ======================= Grid point 71 (38/84) ======================= q-point: ( 0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 2.330 -3.793 -0.457) 4.475 1.271 ( 2.330 3.793 -0.457) 4.475 1.460 ( -1.881 -2.336 2.866) 4.148 1.460 ( -1.881 2.336 2.866) 4.148 1.644 ( 1.435 -3.109 -1.888) 3.910 1.644 ( 1.435 3.109 -1.888) 3.910 1.802 ( 1.576 -2.995 -0.230) 3.392 1.802 ( 1.576 2.995 -0.230) 3.392 1.917 ( 3.737 -1.551 -0.789) 4.122 1.917 ( 3.737 1.551 -0.789) 4.122 1.973 ( -1.971 -6.688 -3.097) 7.630 1.973 ( -1.971 6.688 -3.097) 7.630 2.083 ( -0.532 -1.972 0.723) 2.167 2.083 ( -0.532 1.972 0.723) 2.167 2.294 ( 2.091 -3.309 4.190) 5.734 2.294 ( 2.091 3.309 4.190) 5.734 2.490 ( 1.319 -0.541 3.387) 3.675 2.490 ( 1.319 0.541 3.387) 3.675 2.634 ( -1.222 -1.012 -1.088) 1.924 2.634 ( -1.222 1.012 -1.088) 1.924 2.690 ( 0.725 -2.292 3.322) 4.100 2.690 ( 0.725 2.292 3.322) 4.100 2.791 ( 0.441 -1.873 1.142) 2.237 2.791 ( 0.441 1.873 1.142) 2.237 2.858 ( -0.631 -0.617 -0.479) 1.004 2.858 ( -0.631 0.617 -0.479) 1.004 3.015 ( 2.576 -2.119 0.818) 3.434 3.015 ( 2.576 2.119 0.818) 3.434 3.087 ( 2.389 -1.375 0.042) 2.756 3.087 ( 2.389 1.375 0.042) 2.756 3.264 ( 0.862 -2.281 -0.375) 2.467 3.264 ( 0.862 2.281 -0.375) 2.467 3.357 ( 1.027 -0.673 -0.853) 1.496 3.357 ( 1.027 0.673 -0.853) 1.496 3.422 ( 1.344 -0.637 -0.112) 1.491 3.422 ( 1.344 0.637 -0.112) 1.491 5.266 ( 1.935 -0.623 -0.196) 2.043 5.266 ( 1.935 0.623 -0.196) 2.043 5.381 ( -0.735 -2.016 0.095) 2.147 5.381 ( -0.735 2.016 0.095) 2.147 5.669 ( 1.669 -1.979 -0.454) 2.629 5.669 ( 1.669 1.979 -0.454) 2.629 5.781 ( 1.676 -3.372 -0.034) 3.766 5.781 ( 1.676 3.372 -0.034) 3.766 5.825 ( -0.065 -1.457 -0.486) 1.537 5.825 ( -0.065 1.457 -0.486) 1.537 5.933 ( 0.652 -1.098 0.746) 1.479 5.933 ( 0.652 1.098 0.746) 1.479 6.138 ( 1.079 -0.802 -0.550) 1.453 6.138 ( 1.079 0.802 -0.550) 1.453 6.215 ( 2.912 -2.731 -0.868) 4.086 6.215 ( 2.912 2.731 -0.868) 4.086 6.400 ( 2.265 -2.565 -0.776) 3.508 6.400 ( 2.265 2.565 -0.776) 3.508 6.485 ( 3.648 -2.121 1.484) 4.473 6.485 ( 3.648 2.121 1.484) 4.473 7.117 ( 6.370 -0.314 4.019) 7.538 7.117 ( 6.370 0.314 4.019) 7.538 7.254 ( 1.398 -6.814 -1.054) 7.036 7.254 ( 1.398 6.814 -1.054) 7.036 7.564 ( 0.738 -5.223 4.382) 6.857 7.564 ( 0.738 5.223 4.382) 6.858 7.637 ( 1.947 -7.294 -0.202) 7.552 7.637 ( 1.947 7.294 -0.202) 7.552 7.905 ( 2.112 -3.091 1.848) 4.175 7.905 ( 2.112 3.091 1.848) 4.175 8.453 ( 4.359 -4.569 0.450) 6.331 8.453 ( 4.359 4.569 0.450) 6.331 8.598 ( 1.512 -6.030 -5.925) 8.588 8.598 ( 1.512 6.030 -5.925) 8.588 9.115 ( 2.426 -2.775 -5.211) 6.383 9.115 ( 2.426 2.775 -5.211) 6.383 ======================= Grid point 73 (39/84) ======================= q-point: (-0.44 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( -2.148 -6.181 -2.457) 6.990 1.271 ( -2.149 6.181 -2.457) 6.990 1.405 ( -3.430 -1.790 2.607) 4.665 1.405 ( -3.430 1.790 2.607) 4.665 1.666 ( 0.641 -1.244 -0.767) 1.596 1.666 ( 0.641 1.244 -0.767) 1.596 1.829 ( 0.473 -1.816 1.979) 2.727 1.829 ( 0.473 1.816 1.979) 2.727 1.867 ( -5.370 -2.822 -2.683) 6.634 1.867 ( -5.370 2.822 -2.683) 6.634 1.989 ( 1.846 -1.439 -3.678) 4.359 1.989 ( 1.846 1.439 -3.678) 4.359 2.123 ( 3.377 -1.500 1.687) 4.062 2.123 ( 3.377 1.500 1.687) 4.062 2.299 ( -1.438 -1.371 4.812) 5.206 2.299 ( -1.438 1.371 4.812) 5.206 2.522 ( 0.566 -0.583 4.118) 4.198 2.522 ( 0.566 0.583 4.118) 4.198 2.584 ( -3.419 -1.796 -1.562) 4.166 2.584 ( -3.419 1.796 -1.562) 4.166 2.700 ( 0.586 -0.742 2.845) 2.998 2.700 ( 0.586 0.742 2.845) 2.998 2.795 ( -1.450 -4.213 1.532) 4.712 2.795 ( -1.450 4.213 1.532) 4.712 2.845 ( 0.307 -2.320 -0.869) 2.496 2.845 ( 0.307 2.320 -0.869) 2.496 3.021 ( -2.047 -0.856 -0.638) 2.309 3.021 ( -2.047 0.856 -0.638) 2.309 3.099 ( -1.089 -0.855 1.278) 1.884 3.099 ( -1.089 0.855 1.278) 1.884 3.269 ( -0.624 -1.637 -0.080) 1.753 3.269 ( -0.624 1.637 -0.080) 1.753 3.355 ( -1.256 -1.479 -0.473) 1.997 3.355 ( -1.256 1.479 -0.473) 1.997 3.416 ( -1.558 -0.369 -0.664) 1.733 3.416 ( -1.558 0.369 -0.664) 1.733 5.295 ( 0.800 -0.353 0.516) 1.016 5.295 ( 0.800 0.353 0.516) 1.016 5.358 ( -1.454 -2.087 -0.485) 2.589 5.358 ( -1.454 2.087 -0.485) 2.589 5.678 ( -0.801 -2.250 -0.118) 2.391 5.678 ( -0.801 2.250 -0.118) 2.391 5.758 ( -2.300 -2.879 -0.615) 3.736 5.758 ( -2.300 2.879 -0.615) 3.736 5.826 ( -1.340 -1.854 0.064) 2.289 5.826 ( -1.340 1.855 0.064) 2.289 5.940 ( -0.011 -1.250 -0.007) 1.250 5.940 ( -0.011 1.250 -0.007) 1.250 6.138 ( -1.039 -1.327 -0.405) 1.733 6.138 ( -1.039 1.327 -0.405) 1.733 6.221 ( -2.269 -2.589 -0.716) 3.516 6.221 ( -2.269 2.589 -0.716) 3.516 6.400 ( -2.385 -3.518 -0.622) 4.295 6.400 ( -2.385 3.518 -0.622) 4.295 6.500 ( -2.252 -4.473 1.870) 5.346 6.500 ( -2.252 4.473 1.870) 5.346 7.110 ( -6.989 -1.347 4.029) 8.179 7.110 ( -6.989 1.347 4.029) 8.179 7.254 ( -1.415 -5.053 -0.865) 5.318 7.254 ( -1.415 5.053 -0.865) 5.318 7.536 ( -3.215 -5.019 2.473) 6.454 7.536 ( -3.215 5.019 2.473) 6.454 7.666 ( 0.127 -7.084 1.041) 7.161 7.666 ( 0.127 7.084 1.041) 7.161 7.912 ( -1.595 -3.357 2.829) 4.670 7.912 ( -1.595 3.357 2.829) 4.670 8.466 ( -3.517 -4.457 0.340) 5.688 8.466 ( -3.517 4.457 0.340) 5.688 8.576 ( -2.632 -4.357 -6.185) 8.010 8.576 ( -2.632 4.357 -6.185) 8.010 9.100 ( -3.448 -1.484 -5.874) 6.971 9.100 ( -3.448 1.484 -5.874) 6.971 ======================= Grid point 75 (40/84) ======================= q-point: (-0.33 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( -6.313 -8.988 -3.488) 11.524 1.183 ( -6.313 8.988 -3.488) 11.524 1.325 ( -5.335 -4.718 3.862) 8.102 1.325 ( -5.335 4.718 3.862) 8.102 1.644 ( -3.403 -1.824 -1.115) 4.019 1.644 ( -3.403 1.824 -1.115) 4.019 1.753 ( -3.377 -4.477 -1.312) 5.760 1.753 ( -3.377 4.477 -1.312) 5.760 1.861 ( 0.165 -2.900 1.614) 3.323 1.861 ( 0.165 2.900 1.614) 3.323 1.985 ( -1.606 -1.170 -2.582) 3.258 1.985 ( -1.606 1.170 -2.582) 3.258 2.159 ( -1.314 -1.259 0.908) 2.034 2.159 ( -1.314 1.259 0.908) 2.034 2.235 ( -5.694 -1.335 3.024) 6.584 2.235 ( -5.694 1.335 3.024) 6.584 2.483 ( -4.368 -1.173 0.219) 4.528 2.483 ( -4.368 1.173 0.219) 4.528 2.556 ( 1.251 -1.487 2.243) 2.968 2.556 ( 1.251 1.487 2.243) 2.968 2.694 ( -3.051 -1.629 3.564) 4.966 2.694 ( -3.051 1.629 3.564) 4.966 2.756 ( 0.126 -2.946 -0.621) 3.014 2.756 ( 0.126 2.946 -0.621) 3.014 2.861 ( -0.026 -3.122 0.000) 3.122 2.861 ( -0.026 3.122 0.000) 3.122 2.963 ( -2.596 -2.555 -0.496) 3.676 2.963 ( -2.596 2.555 -0.496) 3.676 3.067 ( -1.770 -1.601 2.836) 3.707 3.067 ( -1.770 1.601 2.836) 3.707 3.230 ( -3.175 -1.665 -0.321) 3.600 3.230 ( -3.175 1.665 -0.321) 3.600 3.309 ( -2.705 -1.434 -0.986) 3.217 3.309 ( -2.705 1.434 -0.986) 3.217 3.387 ( -0.927 -0.526 -0.384) 1.133 3.387 ( -0.927 0.526 -0.384) 1.133 5.294 ( -0.995 -1.084 1.258) 1.936 5.294 ( -0.995 1.084 1.258) 1.936 5.324 ( -2.032 -1.556 -1.503) 2.968 5.324 ( -2.032 1.556 -1.503) 2.968 5.627 ( -5.244 -1.998 0.158) 5.613 5.627 ( -5.244 1.998 0.158) 5.613 5.694 ( -4.280 -2.408 0.256) 4.918 5.694 ( -4.280 2.408 0.256) 4.918 5.781 ( -2.269 -1.289 -0.701) 2.702 5.781 ( -2.269 1.289 -0.701) 2.702 5.915 ( -3.484 -1.348 -0.955) 3.856 5.915 ( -3.484 1.348 -0.955) 3.856 6.080 ( -5.187 -2.433 -0.388) 5.743 6.080 ( -5.187 2.433 -0.388) 5.743 6.136 ( -5.394 -2.172 1.001) 5.901 6.136 ( -5.394 2.172 1.001) 5.901 6.307 ( -6.405 -3.275 -1.680) 7.387 6.307 ( -6.405 3.275 -1.680) 7.387 6.422 ( -4.533 -5.432 0.201) 7.078 6.422 ( -4.533 5.432 0.201) 7.078 6.911 ( -11.955 -2.100 6.108) 13.588 6.911 ( -11.955 2.100 6.108) 13.588 7.170 ( -7.024 -5.680 -0.003) 9.033 7.170 ( -7.024 5.680 -0.003) 9.033 7.460 ( -4.387 -2.234 0.052) 4.923 7.460 ( -4.387 2.234 0.052) 4.923 7.629 ( -3.666 -6.096 0.344) 7.122 7.629 ( -3.666 6.096 0.344) 7.122 7.847 ( -5.057 -3.761 3.256) 7.094 7.847 ( -5.057 3.761 3.256) 7.094 8.341 ( -7.550 -3.134 -0.901) 8.224 8.341 ( -7.550 3.134 -0.901) 8.224 8.495 ( -5.061 -3.785 -4.347) 7.670 8.495 ( -5.061 3.785 -4.347) 7.670 8.979 ( -7.728 -4.134 -5.258) 10.221 8.979 ( -7.728 4.134 -5.258) 10.221 ======================= Grid point 77 (41/84) ======================= q-point: (-0.22 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.023 ( -9.352 -12.846 -3.158) 16.201 1.023 ( -9.352 12.846 -3.158) 16.201 1.183 ( -9.319 -9.324 4.441) 13.910 1.183 ( -9.319 9.324 4.441) 13.910 1.553 ( -5.444 -3.803 1.129) 6.736 1.553 ( -5.444 3.803 1.129) 6.736 1.694 ( -3.395 -2.052 -2.633) 4.761 1.694 ( -3.395 2.052 -2.633) 4.761 1.792 ( -6.488 -4.020 -0.343) 7.640 1.792 ( -6.488 4.020 -0.343) 7.640 1.976 ( 0.150 -3.929 1.759) 4.307 1.976 ( 0.150 3.929 1.759) 4.307 2.053 ( -7.265 -2.708 -0.832) 7.798 2.053 ( -7.265 2.708 -0.832) 7.798 2.116 ( -4.543 -2.659 -0.397) 5.279 2.116 ( -4.543 2.659 -0.397) 5.279 2.406 ( -3.341 -2.247 0.666) 4.081 2.406 ( -3.341 2.247 0.666) 4.081 2.555 ( -2.335 -1.325 3.471) 4.388 2.555 ( -2.335 1.325 3.471) 4.388 2.661 ( 0.300 -2.208 2.980) 3.721 2.661 ( 0.300 2.208 2.980) 3.721 2.763 ( -0.114 -3.569 -0.389) 3.592 2.763 ( -0.114 3.569 -0.389) 3.592 2.844 ( -0.997 -3.277 -0.223) 3.433 2.844 ( -0.997 3.277 -0.223) 3.433 2.918 ( -2.813 -0.653 0.729) 2.979 2.918 ( -2.813 0.653 0.729) 2.979 3.046 ( -0.564 -2.588 1.859) 3.236 3.046 ( -0.564 2.588 1.859) 3.236 3.165 ( -2.428 -2.223 -0.032) 3.292 3.165 ( -2.428 2.223 -0.032) 3.292 3.278 ( 0.031 -1.750 -1.764) 2.485 3.278 ( 0.031 1.750 -1.764) 2.485 3.391 ( 1.749 -0.582 0.487) 1.906 3.391 ( 1.749 0.582 0.487) 1.906 5.248 ( -4.429 -1.710 -0.888) 4.830 5.248 ( -4.429 1.710 -0.888) 4.830 5.273 ( -2.895 -1.077 -0.151) 3.093 5.273 ( -2.895 1.077 -0.151) 3.093 5.429 ( -13.784 -2.496 1.365) 14.075 5.429 ( -13.784 2.496 1.365) 14.075 5.594 ( -7.373 -1.298 -2.187) 7.800 5.594 ( -7.373 1.298 -2.187) 7.800 5.737 ( -3.374 -2.306 0.241) 4.094 5.737 ( -3.374 2.306 0.241) 4.094 5.762 ( -8.789 -1.724 -0.321) 8.962 5.762 ( -8.789 1.724 -0.321) 8.962 5.992 ( -4.390 -1.503 0.194) 4.644 5.992 ( -4.390 1.503 0.194) 4.644 6.022 ( -3.301 -3.219 1.312) 4.794 6.022 ( -3.301 3.219 1.312) 4.794 6.204 ( -2.930 -1.522 -2.526) 4.157 6.204 ( -2.930 1.522 -2.526) 4.157 6.342 ( -3.577 -3.319 -2.905) 5.679 6.342 ( -3.577 3.319 -2.905) 5.679 6.686 ( -10.627 -3.518 7.792) 13.639 6.686 ( -10.627 3.518 7.792) 13.639 6.992 ( -10.124 -6.044 1.458) 11.881 6.992 ( -10.124 6.044 1.458) 11.881 7.371 ( -4.053 -3.999 -2.936) 6.406 7.371 ( -4.053 3.999 -2.936) 6.406 7.537 ( -5.357 -3.496 -0.865) 6.455 7.537 ( -5.357 3.496 -0.865) 6.455 7.737 ( -5.188 -4.069 3.986) 7.705 7.737 ( -5.188 4.069 3.986) 7.705 8.215 ( -4.461 -2.644 -0.101) 5.187 8.215 ( -4.461 2.644 -0.101) 5.187 8.385 ( -4.954 -4.711 -4.084) 7.963 8.385 ( -4.954 4.711 -4.084) 7.963 8.817 ( -7.305 -4.747 -3.494) 9.386 8.817 ( -7.305 4.747 -3.494) 9.386 ======================= Grid point 79 (42/84) ======================= q-point: (-0.11 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( -9.017 -17.067 -1.056) 19.331 0.827 ( -9.017 17.067 -1.056) 19.331 0.981 ( -10.171 -14.523 1.324) 17.780 0.981 ( -10.171 14.523 1.324) 17.780 1.438 ( -4.629 -10.141 4.435) 11.998 1.438 ( -4.629 10.141 4.435) 11.998 1.600 ( -7.169 -6.556 -0.672) 9.738 1.600 ( -7.169 6.556 -0.672) 9.738 1.693 ( -1.151 -5.432 0.391) 5.566 1.693 ( -1.151 5.432 0.391) 5.566 1.876 ( -5.418 -2.536 -1.897) 6.276 1.876 ( -5.418 2.536 -1.897) 6.276 2.000 ( -1.420 -2.758 -2.854) 4.215 2.000 ( -1.420 2.758 -2.854) 4.215 2.136 ( 5.514 -2.025 1.097) 5.976 2.136 ( 5.514 2.025 1.097) 5.976 2.338 ( -2.503 -3.313 2.423) 4.807 2.338 ( -2.503 3.313 2.423) 4.807 2.510 ( -2.608 -2.147 2.888) 4.445 2.510 ( -2.608 2.147 2.888) 4.445 2.662 ( -0.890 -3.102 2.975) 4.389 2.662 ( -0.890 3.102 2.975) 4.389 2.745 ( -1.866 -0.857 0.244) 2.068 2.745 ( -1.866 0.857 0.244) 2.068 2.830 ( -0.235 -2.493 0.755) 2.615 2.830 ( -0.235 2.493 0.755) 2.615 2.851 ( -2.987 -1.668 -0.337) 3.437 2.851 ( -2.987 1.668 -0.337) 3.437 3.052 ( 1.604 -1.865 -0.382) 2.489 3.052 ( 1.604 1.865 -0.382) 2.489 3.144 ( -0.351 -2.052 0.857) 2.252 3.144 ( -0.351 2.052 0.857) 2.252 3.302 ( 2.115 -2.560 -1.319) 3.573 3.302 ( 2.115 2.560 -1.319) 3.573 3.450 ( 3.276 -0.419 0.822) 3.403 3.450 ( 3.276 0.419 0.822) 3.403 5.073 ( -13.246 -1.190 0.259) 13.301 5.073 ( -13.246 1.190 0.259) 13.301 5.147 ( -6.479 -1.498 -0.732) 6.690 5.147 ( -6.479 1.498 -0.732) 6.690 5.263 ( -3.484 -0.601 0.373) 3.555 5.263 ( -3.484 0.601 0.373) 3.555 5.345 ( -12.935 -1.003 -3.938) 13.558 5.345 ( -12.935 1.003 -3.938) 13.558 5.647 ( -1.841 -0.478 1.192) 2.244 5.647 ( -1.841 0.478 1.192) 2.244 5.700 ( -1.996 -1.441 3.779) 4.510 5.700 ( -1.996 1.441 3.779) 4.510 5.936 ( -0.596 -0.700 -0.663) 1.134 5.936 ( -0.596 0.700 -0.663) 1.134 6.017 ( 1.552 -0.870 -0.420) 1.828 6.017 ( 1.552 0.870 -0.420) 1.828 6.166 ( -1.286 -1.027 -2.848) 3.289 6.166 ( -1.286 1.027 -2.848) 3.289 6.264 ( -4.093 -2.570 -4.170) 6.383 6.264 ( -4.093 2.570 -4.170) 6.383 6.519 ( -6.238 -4.301 7.677) 10.787 6.519 ( -6.238 4.301 7.677) 10.787 6.809 ( -7.611 -6.906 2.700) 10.626 6.809 ( -7.611 6.906 2.700) 10.626 7.310 ( -1.739 -3.938 -5.978) 7.367 7.310 ( -1.739 3.938 -5.978) 7.367 7.434 ( -3.752 -1.358 -1.902) 4.420 7.434 ( -3.752 1.358 -1.902) 4.420 7.678 ( -1.186 -3.692 4.167) 5.692 7.678 ( -1.186 3.692 4.167) 5.692 8.163 ( -1.407 -1.356 1.050) 2.218 8.163 ( -1.407 1.356 1.050) 2.218 8.329 ( 0.478 -6.080 -4.289) 7.456 8.329 ( 0.478 6.080 -4.289) 7.456 8.724 ( -0.966 -4.004 -2.476) 4.806 8.724 ( -0.966 4.004 -2.476) 4.806 ======================= Grid point 90 (43/84) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( 0.679 0.000 16.400) 16.414 0.916 ( 2.203 0.000 18.846) 18.975 1.257 ( 5.496 0.000 20.601) 21.322 1.286 ( 3.940 0.000 -4.429) 5.928 1.353 ( -1.312 0.000 -1.965) 2.363 1.385 ( 1.641 0.000 1.172) 2.016 1.405 ( -0.895 0.000 -4.017) 4.115 1.430 ( -1.591 0.000 -6.658) 6.845 1.563 ( -0.862 0.000 0.781) 1.164 1.612 ( -2.918 0.000 1.288) 3.189 1.714 ( 0.435 0.000 -9.972) 9.982 1.738 ( -6.049 0.000 -6.449) 8.842 1.915 ( 1.005 0.000 -5.228) 5.324 2.104 ( -3.053 0.000 -5.703) 6.469 2.226 ( 4.865 0.000 3.624) 6.067 2.235 ( 3.607 0.000 5.622) 6.680 2.368 ( 3.757 0.000 1.046) 3.900 2.391 ( -4.532 0.000 0.878) 4.616 2.434 ( -3.233 0.000 5.477) 6.361 2.623 ( -1.043 0.000 -0.252) 1.073 2.626 ( 2.535 0.000 -0.191) 2.543 2.656 ( -4.045 0.000 -2.704) 4.865 2.702 ( -0.848 0.000 1.557) 1.773 2.703 ( 4.211 0.000 2.274) 4.786 2.768 ( -1.280 0.000 0.984) 1.614 2.814 ( -1.491 0.000 2.866) 3.231 2.907 ( 0.110 0.000 0.895) 0.902 2.953 ( 0.060 0.000 -0.908) 0.910 3.012 ( 1.074 0.000 -0.726) 1.296 3.042 ( -0.298 0.000 -0.726) 0.784 3.147 ( 0.055 0.000 1.686) 1.687 3.279 ( -0.186 0.000 -2.991) 2.996 3.318 ( 1.180 0.000 1.541) 1.941 3.374 ( -1.020 0.000 -1.186) 1.564 3.461 ( -0.292 0.000 3.301) 3.314 3.498 ( 0.952 0.000 1.272) 1.588 4.928 ( 0.322 0.000 1.299) 1.339 4.965 ( 0.254 0.000 -1.249) 1.275 4.971 ( -0.936 0.000 0.576) 1.099 5.084 ( 0.525 0.000 -3.582) 3.620 5.205 ( 3.109 0.000 0.718) 3.191 5.213 ( -1.747 0.000 -0.307) 1.774 5.218 ( 6.841 0.000 -0.366) 6.851 5.260 ( -1.587 0.000 -0.971) 1.861 5.626 ( 0.466 0.000 1.939) 1.994 5.666 ( -0.789 0.000 -0.450) 0.908 5.692 ( 0.865 0.000 3.020) 3.141 5.738 ( 1.413 0.000 0.469) 1.488 5.899 ( 2.998 0.000 -1.156) 3.213 5.924 ( -3.621 0.000 -0.800) 3.708 5.985 ( 2.837 0.000 0.822) 2.953 6.030 ( -0.588 0.000 -1.313) 1.438 6.087 ( -1.767 0.000 -0.408) 1.814 6.112 ( -1.089 0.000 -2.604) 2.822 6.124 ( 1.421 0.000 -1.748) 2.253 6.294 ( -0.982 0.000 -7.474) 7.539 6.507 ( 1.101 0.000 7.143) 7.228 6.606 ( -0.635 0.000 5.165) 5.203 6.702 ( -0.915 0.000 13.454) 13.485 7.020 ( 0.802 0.000 3.543) 3.633 7.040 ( 0.050 0.000 -4.069) 4.070 7.130 ( -0.055 0.000 -4.949) 4.949 7.253 ( -1.150 0.000 -2.433) 2.691 7.335 ( 2.709 0.000 -9.162) 9.554 7.672 ( -0.334 0.000 0.294) 0.444 7.831 ( -1.598 0.000 8.590) 8.737 7.867 ( -0.167 0.000 -6.214) 6.216 8.204 ( 0.694 0.000 2.969) 3.049 8.275 ( 1.545 0.000 -8.854) 8.988 8.451 ( 0.860 0.000 -10.157) 10.194 8.605 ( -0.557 0.000 7.166) 7.187 8.807 ( 1.481 0.000 -1.224) 1.921 ======================= Grid point 91 (44/84) ======================= q-point: ( 0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.881 ( 10.234 0.000 12.940) 16.498 1.014 ( 5.756 0.000 15.631) 16.657 1.354 ( 1.373 0.000 0.090) 1.376 1.362 ( -2.460 0.000 -5.183) 5.737 1.404 ( 8.135 0.000 -10.205) 13.051 1.460 ( 10.880 0.000 12.597) 16.645 1.504 ( 6.932 0.000 -0.961) 6.999 1.563 ( 5.779 0.000 0.463) 5.798 1.570 ( 12.344 0.000 3.920) 12.951 1.600 ( -2.463 0.000 -4.569) 5.191 1.698 ( 8.563 0.000 3.570) 9.278 1.733 ( 1.884 0.000 -8.117) 8.333 2.022 ( 7.914 0.000 -4.543) 9.125 2.040 ( -1.891 0.000 -3.679) 4.136 2.190 ( -5.747 0.000 1.507) 5.941 2.241 ( -1.315 0.000 2.074) 2.455 2.338 ( -1.574 0.000 3.604) 3.933 2.443 ( 3.632 0.000 4.023) 5.421 2.471 ( 3.013 0.000 -0.056) 3.014 2.585 ( -1.501 0.000 0.563) 1.603 2.625 ( 0.641 0.000 -3.528) 3.585 2.657 ( 1.085 0.000 -1.341) 1.725 2.747 ( 3.761 0.000 2.380) 4.451 2.787 ( 2.622 0.000 1.703) 3.126 2.820 ( 6.215 0.000 2.999) 6.901 2.830 ( 2.876 0.000 4.855) 5.643 2.890 ( -1.405 0.000 1.016) 1.734 2.946 ( -0.741 0.000 -1.743) 1.894 3.036 ( 0.619 0.000 -3.092) 3.153 3.038 ( 0.575 0.000 -0.808) 0.992 3.148 ( 1.281 0.000 3.122) 3.375 3.264 ( -1.504 0.000 -2.938) 3.301 3.286 ( -3.467 0.000 0.770) 3.552 3.306 ( -4.242 0.000 -1.088) 4.379 3.404 ( -4.949 0.000 2.787) 5.680 3.471 ( -3.085 0.000 0.814) 3.190 5.063 ( 9.446 0.000 1.089) 9.509 5.095 ( 7.873 0.000 -1.409) 7.998 5.110 ( 14.428 0.000 -0.293) 14.431 5.147 ( 8.583 0.000 -0.081) 8.584 5.219 ( 1.780 0.000 -0.554) 1.865 5.267 ( 4.310 0.000 -0.687) 4.365 5.279 ( 5.135 0.000 -0.325) 5.145 5.457 ( 10.857 0.000 -5.750) 12.286 5.652 ( 1.340 0.000 1.513) 2.021 5.663 ( 1.071 0.000 -0.400) 1.144 5.740 ( 4.804 0.000 3.451) 5.915 5.781 ( 1.512 0.000 -3.096) 3.446 5.908 ( 3.217 0.000 -1.171) 3.423 5.926 ( -1.989 0.000 -2.262) 3.012 5.989 ( 1.200 0.000 -1.095) 1.625 5.992 ( 0.615 0.000 0.634) 0.883 6.115 ( 1.844 0.000 1.186) 2.192 6.174 ( 5.046 0.000 -1.462) 5.254 6.182 ( 3.860 0.000 -1.142) 4.026 6.282 ( 0.757 0.000 -6.518) 6.562 6.585 ( 6.033 0.000 5.425) 8.114 6.652 ( 4.495 0.000 6.868) 8.208 6.754 ( 5.318 0.000 11.178) 12.378 7.089 ( 5.845 0.000 4.689) 7.494 7.105 ( 6.591 0.000 -4.955) 8.246 7.189 ( 6.476 0.000 -3.615) 7.417 7.288 ( 4.332 0.000 -1.874) 4.720 7.436 ( 7.498 0.000 -8.970) 11.691 7.675 ( 0.688 0.000 -0.234) 0.727 7.763 ( -4.550 0.000 10.029) 11.013 7.889 ( 2.953 0.000 -6.461) 7.103 8.228 ( 1.484 0.000 3.561) 3.858 8.298 ( 1.789 0.000 -8.418) 8.606 8.491 ( 4.015 0.000 -10.406) 11.154 8.518 ( -4.644 0.000 11.012) 11.951 8.877 ( 5.680 0.000 -2.594) 6.245 ======================= Grid point 92 (45/84) ======================= q-point: ( 0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.101 ( 10.384 0.000 8.297) 13.292 1.147 ( 6.246 0.000 9.591) 11.446 1.342 ( 1.026 0.000 -1.237) 1.607 1.428 ( 5.723 0.000 1.562) 5.933 1.532 ( 5.136 0.000 -9.753) 11.023 1.557 ( 2.743 0.000 -2.591) 3.773 1.627 ( 6.893 0.000 -0.080) 6.893 1.664 ( 4.730 0.000 4.332) 6.414 1.739 ( 2.763 0.000 -5.027) 5.736 1.774 ( 10.151 0.000 1.947) 10.336 1.881 ( 8.023 0.000 1.967) 8.261 1.883 ( 8.622 0.000 4.329) 9.648 2.067 ( 4.673 0.000 -0.080) 4.674 2.096 ( 0.763 0.000 -0.118) 0.772 2.197 ( 6.999 0.000 -2.057) 7.295 2.237 ( 1.832 0.000 1.648) 2.465 2.351 ( 3.700 0.000 2.453) 4.439 2.436 ( -4.359 0.000 -2.359) 4.957 2.491 ( 0.239 0.000 -0.011) 0.239 2.589 ( 1.625 0.000 0.648) 1.749 2.662 ( 2.130 0.000 -3.992) 4.525 2.681 ( 0.612 0.000 -0.287) 0.676 2.809 ( 2.826 0.000 7.120) 7.661 2.830 ( 0.799 0.000 3.423) 3.515 2.882 ( 1.663 0.000 3.222) 3.626 2.919 ( -1.339 0.000 0.143) 1.347 2.932 ( 3.659 0.000 1.634) 4.007 2.950 ( 6.382 0.000 -0.532) 6.404 3.026 ( 0.420 0.000 -0.112) 0.435 3.069 ( 2.028 0.000 -2.372) 3.120 3.169 ( -1.609 0.000 0.356) 1.648 3.216 ( -0.560 0.000 -0.068) 0.564 3.268 ( -0.285 0.000 -3.060) 3.074 3.273 ( 3.546 0.000 -0.101) 3.547 3.309 ( -3.398 0.000 2.762) 4.379 3.415 ( -1.737 0.000 -0.008) 1.737 5.180 ( 3.134 0.000 -0.571) 3.185 5.185 ( 2.612 0.000 -1.505) 3.015 5.258 ( 3.277 0.000 0.404) 3.302 5.331 ( 4.193 0.000 0.276) 4.203 5.402 ( 12.724 0.000 2.100) 12.896 5.444 ( 10.759 0.000 -1.431) 10.854 5.497 ( 12.598 0.000 -0.705) 12.618 5.618 ( 7.646 0.000 -2.459) 8.032 5.718 ( 4.037 0.000 -0.900) 4.136 5.721 ( 8.023 0.000 1.519) 8.166 5.808 ( 2.555 0.000 -2.864) 3.838 5.874 ( 6.506 0.000 1.947) 6.791 5.887 ( 0.272 0.000 -1.271) 1.300 5.975 ( 2.735 0.000 0.150) 2.739 6.058 ( 5.330 0.000 -0.186) 5.333 6.080 ( 6.974 0.000 -2.223) 7.320 6.139 ( 0.784 0.000 2.154) 2.292 6.247 ( 2.725 0.000 -0.085) 2.727 6.263 ( 4.518 0.000 -0.903) 4.607 6.342 ( 5.765 0.000 -5.839) 8.205 6.758 ( 10.981 0.000 4.360) 11.815 6.784 ( 7.885 0.000 8.373) 11.501 6.917 ( 9.346 0.000 9.223) 13.131 7.242 ( 8.226 0.000 4.364) 9.312 7.272 ( 9.982 0.000 -5.446) 11.371 7.369 ( 11.001 0.000 -2.489) 11.279 7.395 ( 5.906 0.000 -1.433) 6.078 7.588 ( 7.456 0.000 -3.168) 8.101 7.703 ( 1.920 0.000 -1.554) 2.470 7.720 ( 0.282 0.000 7.557) 7.562 7.977 ( 6.390 0.000 -7.523) 9.870 8.276 ( 3.284 0.000 4.875) 5.878 8.344 ( 3.497 0.000 -8.916) 9.577 8.510 ( 2.328 0.000 11.439) 11.674 8.606 ( 8.337 0.000 -10.465) 13.380 9.012 ( 7.391 0.000 -5.051) 8.952 ======================= Grid point 93 (46/84) ======================= q-point: ( 0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 5.261 0.000 4.967) 7.236 1.294 ( 8.439 0.000 3.824) 9.265 1.403 ( 4.787 0.000 4.256) 6.406 1.547 ( 4.648 0.000 1.699) 4.949 1.607 ( 3.379 0.000 -7.160) 7.918 1.612 ( 0.944 0.000 -0.145) 0.955 1.697 ( -1.581 0.000 2.664) 3.098 1.735 ( 3.788 0.000 -0.260) 3.797 1.780 ( 2.762 0.000 -7.176) 7.689 1.899 ( 1.048 0.000 2.465) 2.679 1.902 ( -1.210 0.000 2.993) 3.228 1.997 ( 5.536 0.000 3.999) 6.829 2.116 ( -2.484 0.000 -1.936) 3.149 2.209 ( 4.534 0.000 0.488) 4.560 2.294 ( 3.777 0.000 0.780) 3.857 2.332 ( 4.256 0.000 -0.687) 4.311 2.386 ( 2.311 0.000 2.055) 3.092 2.441 ( 0.328 0.000 -1.270) 1.312 2.516 ( 5.872 0.000 0.592) 5.902 2.627 ( 1.433 0.000 -0.218) 1.449 2.686 ( 1.001 0.000 -0.011) 1.001 2.689 ( 0.769 0.000 -4.999) 5.058 2.846 ( 2.681 0.000 3.794) 4.646 2.864 ( 1.689 0.000 6.518) 6.733 2.883 ( -1.681 0.000 1.255) 2.098 2.930 ( 1.290 0.000 6.052) 6.188 2.984 ( 1.307 0.000 -1.447) 1.950 2.989 ( 2.040 0.000 1.574) 2.577 3.108 ( 2.323 0.000 -3.576) 4.264 3.123 ( -1.816 0.000 -1.200) 2.177 3.146 ( 5.942 0.000 1.854) 6.224 3.249 ( 2.158 0.000 -1.023) 2.388 3.275 ( 0.950 0.000 0.211) 0.973 3.282 ( 2.138 0.000 -1.326) 2.516 3.376 ( 4.648 0.000 -0.493) 4.674 3.414 ( 1.244 0.000 -0.335) 1.289 5.223 ( 1.651 0.000 -1.283) 2.091 5.231 ( 2.111 0.000 -0.710) 2.228 5.306 ( 1.244 0.000 1.868) 2.245 5.387 ( 2.054 0.000 -0.286) 2.073 5.570 ( 3.412 0.000 -1.042) 3.568 5.614 ( 5.771 0.000 1.201) 5.894 5.636 ( 6.757 0.000 -0.309) 6.764 5.756 ( 2.833 0.000 -2.681) 3.901 5.788 ( 4.969 0.000 -1.416) 5.166 5.824 ( 0.462 0.000 -2.255) 2.302 5.887 ( 3.913 0.000 -1.977) 4.384 5.948 ( 1.405 0.000 -1.344) 1.944 6.029 ( 2.569 0.000 3.090) 4.019 6.054 ( 11.117 0.000 3.351) 11.611 6.140 ( 2.936 0.000 1.019) 3.107 6.204 ( 5.053 0.000 3.023) 5.888 6.212 ( 5.957 0.000 -1.759) 6.211 6.313 ( 4.667 0.000 1.983) 5.070 6.373 ( 6.311 0.000 -1.941) 6.603 6.480 ( 7.761 0.000 -5.361) 9.432 6.957 ( 8.210 0.000 8.369) 11.724 7.006 ( 12.726 0.000 3.707) 13.255 7.094 ( 6.842 0.000 8.903) 11.228 7.377 ( 4.340 0.000 2.054) 4.802 7.471 ( 9.808 0.000 -5.415) 11.204 7.501 ( 4.658 0.000 -0.825) 4.731 7.588 ( 10.042 0.000 -1.176) 10.111 7.706 ( 4.513 0.000 9.939) 10.915 7.734 ( 1.433 0.000 4.794) 5.003 7.784 ( 4.381 0.000 -9.492) 10.454 8.121 ( 8.198 0.000 -9.267) 12.373 8.372 ( 5.794 0.000 6.415) 8.645 8.408 ( 2.877 0.000 -9.409) 9.839 8.583 ( 3.047 0.000 10.547) 10.978 8.789 ( 10.212 0.000 -10.704) 14.794 9.128 ( 4.003 0.000 -7.627) 8.613 ======================= Grid point 94 (47/84) ======================= q-point: ( 0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.358 ( 3.383 0.000 2.483) 4.196 1.430 ( 3.821 0.000 1.935) 4.283 1.509 ( 4.163 0.000 6.435) 7.664 1.571 ( -1.920 0.000 0.937) 2.137 1.589 ( -5.742 0.000 3.607) 6.781 1.633 ( 1.637 0.000 4.899) 5.165 1.654 ( 0.816 0.000 -1.029) 1.313 1.788 ( 1.062 0.000 -2.560) 2.772 1.833 ( 2.362 0.000 -6.988) 7.376 1.862 ( -3.020 0.000 2.013) 3.630 1.939 ( 3.463 0.000 -2.495) 4.268 2.018 ( -3.665 0.000 -5.225) 6.382 2.119 ( 4.364 0.000 4.082) 5.975 2.234 ( 0.228 0.000 -0.609) 0.650 2.312 ( -2.376 0.000 1.186) 2.655 2.342 ( 0.152 0.000 0.879) 0.892 2.428 ( -0.302 0.000 0.272) 0.406 2.515 ( 5.706 0.000 1.651) 5.940 2.617 ( 2.932 0.000 3.674) 4.700 2.628 ( -1.686 0.000 -0.334) 1.719 2.681 ( -0.476 0.000 -3.708) 3.739 2.733 ( 2.340 0.000 -1.813) 2.960 2.863 ( 0.252 0.000 2.150) 2.165 2.883 ( -0.289 0.000 4.090) 4.100 2.935 ( -0.496 0.000 4.973) 4.998 2.950 ( 4.743 0.000 4.951) 6.857 3.020 ( 0.804 0.000 0.616) 1.013 3.025 ( 1.579 0.000 -0.450) 1.641 3.085 ( -0.867 0.000 0.663) 1.092 3.152 ( 2.025 0.000 -2.556) 3.261 3.200 ( -0.135 0.000 -0.290) 0.320 3.279 ( 1.161 0.000 -3.200) 3.404 3.312 ( 0.994 0.000 -1.241) 1.590 3.326 ( 1.502 0.000 -0.721) 1.666 3.438 ( 0.624 0.000 0.373) 0.727 3.442 ( 1.781 0.000 -0.361) 1.818 5.249 ( 1.015 0.000 -1.196) 1.569 5.265 ( 1.349 0.000 -0.897) 1.620 5.317 ( 0.038 0.000 2.584) 2.584 5.417 ( 1.036 0.000 -1.020) 1.454 5.613 ( 1.078 0.000 -0.327) 1.127 5.667 ( 1.040 0.000 -1.508) 1.832 5.756 ( 3.281 0.000 1.663) 3.678 5.770 ( 0.136 0.000 -2.088) 2.092 5.819 ( -0.612 0.000 -1.908) 2.004 5.873 ( 2.464 0.000 -1.998) 3.173 5.924 ( 0.704 0.000 -1.324) 1.500 5.950 ( -0.462 0.000 -1.661) 1.724 6.073 ( 1.252 0.000 2.879) 3.140 6.115 ( -0.082 0.000 1.075) 1.078 6.231 ( 1.363 0.000 2.431) 2.787 6.298 ( 2.452 0.000 -0.866) 2.601 6.304 ( 4.213 0.000 2.578) 4.939 6.414 ( 3.814 0.000 4.143) 5.631 6.481 ( 4.125 0.000 -3.483) 5.399 6.599 ( 3.453 0.000 -4.053) 5.324 7.097 ( 4.632 0.000 8.761) 9.910 7.182 ( 1.165 0.000 8.068) 8.151 7.225 ( 8.013 0.000 2.092) 8.281 7.403 ( -2.040 0.000 1.647) 2.622 7.556 ( 0.981 0.000 -1.412) 1.719 7.635 ( 6.033 0.000 -3.444) 6.947 7.712 ( 1.691 0.000 7.396) 7.587 7.745 ( -1.035 0.000 -2.436) 2.647 7.807 ( 4.732 0.000 4.232) 6.349 7.853 ( 3.093 0.000 -1.946) 3.654 8.262 ( 6.033 0.000 -10.814) 12.384 8.417 ( -1.654 0.000 -9.810) 9.948 8.500 ( 5.937 0.000 8.538) 10.400 8.614 ( -1.131 0.000 9.239) 9.308 8.963 ( 7.361 0.000 -10.278) 12.642 9.135 ( -2.904 0.000 -10.064) 10.475 ======================= Grid point 95 (48/84) ======================= q-point: (-0.44 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( -0.989 0.000 2.450) 2.642 1.406 ( -6.301 0.000 4.921) 7.995 1.443 ( -5.182 0.000 1.407) 5.370 1.487 ( -5.892 0.000 2.954) 6.591 1.618 ( 5.170 0.000 5.658) 7.664 1.638 ( -2.388 0.000 0.216) 2.398 1.752 ( 6.475 0.000 7.069) 9.586 1.763 ( -1.774 0.000 -4.356) 4.703 1.794 ( -3.165 0.000 -0.383) 3.188 1.846 ( -0.857 0.000 -5.846) 5.909 1.989 ( 1.709 0.000 -3.996) 4.346 2.018 ( 2.264 0.000 -4.534) 5.068 2.156 ( -0.353 0.000 3.070) 3.090 2.249 ( 0.458 0.000 -1.787) 1.845 2.289 ( -0.430 0.000 0.793) 0.902 2.321 ( -1.562 0.000 1.107) 1.915 2.436 ( 0.798 0.000 2.673) 2.790 2.538 ( -3.894 0.000 1.659) 4.233 2.593 ( -0.516 0.000 -4.220) 4.251 2.633 ( -1.940 0.000 3.115) 3.670 2.690 ( 1.201 0.000 1.290) 1.763 2.730 ( -1.981 0.000 -1.886) 2.735 2.842 ( -3.774 0.000 1.556) 4.082 2.899 ( 2.841 0.000 2.009) 3.480 2.925 ( -0.987 0.000 4.861) 4.960 2.981 ( -1.335 0.000 4.275) 4.478 3.001 ( -2.445 0.000 0.317) 2.465 3.047 ( -0.025 0.000 -0.187) 0.189 3.094 ( 1.148 0.000 0.271) 1.179 3.171 ( -0.298 0.000 -0.937) 0.983 3.185 ( -0.905 0.000 -0.528) 1.048 3.282 ( -3.284 0.000 -0.741) 3.366 3.290 ( 0.224 0.000 -3.288) 3.296 3.333 ( -0.675 0.000 -1.323) 1.486 3.424 ( -2.104 0.000 0.155) 2.110 3.439 ( -2.227 0.000 0.488) 2.280 5.258 ( -0.064 0.000 -1.297) 1.298 5.278 ( -0.130 0.000 -1.403) 1.409 5.321 ( 0.273 0.000 2.570) 2.585 5.425 ( -0.274 0.000 -1.391) 1.418 5.616 ( -0.669 0.000 -0.013) 0.669 5.650 ( -2.756 0.000 -1.281) 3.040 5.765 ( -0.707 0.000 -1.688) 1.830 5.766 ( -1.861 0.000 0.848) 2.045 5.794 ( -1.825 0.000 -1.141) 2.153 5.870 ( -2.191 0.000 -1.890) 2.893 5.935 ( 0.088 0.000 -1.178) 1.181 5.941 ( -0.429 0.000 -1.664) 1.719 6.080 ( -0.655 0.000 3.095) 3.163 6.094 ( -2.403 0.000 1.057) 2.625 6.231 ( -1.214 0.000 1.862) 2.223 6.301 ( -2.123 0.000 -0.543) 2.192 6.313 ( -3.183 0.000 2.299) 3.927 6.430 ( -2.911 0.000 4.304) 5.196 6.517 ( -0.287 0.000 -4.619) 4.628 6.582 ( -5.101 0.000 -4.072) 6.527 7.139 ( -1.280 0.000 10.391) 10.470 7.153 ( -4.440 0.000 6.847) 8.161 7.279 ( -7.226 0.000 2.798) 7.749 7.323 ( -1.556 0.000 1.440) 2.120 7.526 ( -3.914 0.000 -1.406) 4.159 7.676 ( -5.313 0.000 -7.905) 9.525 7.694 ( 0.030 0.000 -2.937) 2.937 7.697 ( -3.136 0.000 8.138) 8.721 7.860 ( 0.138 0.000 -2.670) 2.674 7.894 ( 0.287 0.000 9.389) 9.393 8.303 ( -4.226 0.000 -9.973) 10.831 8.345 ( -1.484 0.000 -11.257) 11.355 8.544 ( -5.817 0.000 7.316) 9.347 8.600 ( 2.360 0.000 11.396) 11.638 9.001 ( -8.781 0.000 -12.037) 14.900 9.047 ( 1.100 0.000 -8.808) 8.876 ======================= Grid point 96 (49/84) ======================= q-point: (-0.33 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( -10.149 0.000 9.314) 13.776 1.274 ( -10.155 0.000 8.987) 13.560 1.387 ( -1.640 0.000 -2.220) 2.760 1.393 ( -4.331 0.000 -2.282) 4.896 1.566 ( -4.073 0.000 -2.425) 4.740 1.691 ( 1.306 0.000 2.979) 3.253 1.739 ( 0.810 0.000 -2.166) 2.312 1.771 ( -6.117 0.000 -2.564) 6.632 1.783 ( 0.515 0.000 -0.934) 1.067 1.864 ( 3.380 0.000 5.702) 6.628 1.982 ( -3.401 0.000 -0.262) 3.411 2.009 ( -2.569 0.000 -3.000) 3.950 2.101 ( -8.290 0.000 3.805) 9.121 2.199 ( -6.956 0.000 -3.267) 7.685 2.276 ( -2.023 0.000 1.120) 2.313 2.293 ( 2.181 0.000 -0.222) 2.193 2.442 ( -2.242 0.000 1.904) 2.941 2.449 ( -5.582 0.000 2.278) 6.028 2.555 ( -3.365 0.000 1.034) 3.520 2.566 ( -1.305 0.000 -5.029) 5.196 2.698 ( -1.668 0.000 -2.463) 2.975 2.704 ( 0.396 0.000 0.149) 0.424 2.781 ( -1.444 0.000 2.560) 2.939 2.906 ( -0.915 0.000 5.437) 5.514 2.923 ( -1.939 0.000 3.085) 3.644 2.959 ( 0.042 0.000 -0.447) 0.449 2.975 ( 1.328 0.000 2.233) 2.598 3.018 ( -2.143 0.000 0.288) 2.163 3.108 ( -0.741 0.000 -2.248) 2.367 3.136 ( -3.015 0.000 -0.123) 3.018 3.142 ( -3.460 0.000 -0.294) 3.473 3.234 ( -0.604 0.000 2.258) 2.337 3.283 ( -1.099 0.000 -0.518) 1.214 3.304 ( -1.350 0.000 -3.562) 3.809 3.363 ( -4.688 0.000 1.605) 4.955 3.367 ( -2.678 0.000 -0.939) 2.838 5.246 ( -1.098 0.000 -1.444) 1.814 5.256 ( -1.997 0.000 -1.811) 2.696 5.328 ( 0.080 0.000 2.022) 2.023 5.396 ( -2.698 0.000 -1.438) 3.057 5.555 ( -6.741 0.000 0.305) 6.748 5.591 ( -1.856 0.000 -0.344) 1.888 5.693 ( -5.404 0.000 0.521) 5.429 5.711 ( -5.837 0.000 -2.370) 6.299 5.755 ( -1.955 0.000 -1.167) 2.277 5.816 ( -1.761 0.000 -1.790) 2.511 5.900 ( -4.492 0.000 -0.137) 4.494 5.908 ( -3.660 0.000 -2.364) 4.357 6.006 ( -6.836 0.000 2.621) 7.321 6.059 ( -1.795 0.000 3.431) 3.873 6.175 ( -4.965 0.000 0.200) 4.969 6.210 ( -6.059 0.000 3.024) 6.772 6.215 ( -6.042 0.000 -0.418) 6.056 6.331 ( -5.569 0.000 2.749) 6.210 6.399 ( -11.504 0.000 -3.986) 12.175 6.472 ( -3.703 0.000 -6.602) 7.570 7.024 ( -8.600 0.000 6.087) 10.537 7.047 ( -14.297 0.000 5.668) 15.379 7.067 ( -6.606 0.000 11.662) 13.403 7.266 ( -5.110 0.000 1.291) 5.271 7.408 ( -7.384 0.000 -1.778) 7.595 7.536 ( -7.816 0.000 -8.241) 11.358 7.613 ( -5.624 0.000 2.257) 6.060 7.635 ( -5.480 0.000 -2.842) 6.173 7.817 ( -3.575 0.000 -3.863) 5.263 7.873 ( -2.899 0.000 13.765) 14.067 8.147 ( -8.312 0.000 -8.875) 12.160 8.310 ( -2.196 0.000 -11.609) 11.815 8.405 ( -7.726 0.000 5.570) 9.524 8.615 ( -1.778 0.000 13.344) 13.462 8.788 ( -10.648 0.000 -11.945) 16.002 9.009 ( -4.083 0.000 -7.271) 8.339 ======================= Grid point 97 (50/84) ======================= q-point: (-0.22 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.033 ( -10.445 0.000 13.016) 16.689 1.068 ( -10.293 0.000 13.282) 16.804 1.301 ( -4.037 0.000 -2.635) 4.821 1.369 ( -0.048 0.000 -3.845) 3.845 1.495 ( -2.837 0.000 -4.885) 5.649 1.559 ( -14.322 0.000 5.379) 15.299 1.683 ( -3.426 0.000 0.471) 3.458 1.738 ( -4.219 0.000 -4.510) 6.175 1.784 ( 0.176 0.000 -0.950) 0.966 1.807 ( -9.112 0.000 -2.511) 9.451 1.852 ( -15.021 0.000 2.778) 15.276 1.907 ( -4.694 0.000 -2.823) 5.477 1.972 ( 0.688 0.000 2.688) 2.774 2.053 ( -1.805 0.000 5.018) 5.333 2.224 ( -5.341 0.000 -2.408) 5.859 2.284 ( -7.826 0.000 -1.863) 8.044 2.341 ( -0.203 0.000 3.120) 3.126 2.388 ( -0.162 0.000 -0.394) 0.426 2.510 ( -2.922 0.000 2.432) 3.802 2.573 ( 2.336 0.000 -3.242) 3.996 2.655 ( -1.584 0.000 -1.510) 2.188 2.702 ( -1.263 0.000 -0.246) 1.287 2.774 ( -0.438 0.000 3.292) 3.321 2.876 ( -3.144 0.000 1.679) 3.564 2.907 ( -0.012 0.000 4.719) 4.719 2.935 ( -4.137 0.000 2.809) 5.000 3.001 ( -2.251 0.000 -1.243) 2.571 3.020 ( 2.182 0.000 -2.164) 3.074 3.030 ( -2.987 0.000 -0.130) 2.990 3.062 ( -2.839 0.000 -1.131) 3.056 3.084 ( -3.527 0.000 1.645) 3.892 3.225 ( -0.447 0.000 0.694) 0.825 3.260 ( 0.816 0.000 -2.801) 2.918 3.295 ( -0.035 0.000 -1.791) 1.791 3.329 ( 2.352 0.000 3.564) 4.270 3.363 ( 2.653 0.000 -0.113) 2.655 5.198 ( -3.602 0.000 -1.570) 3.930 5.206 ( -3.194 0.000 -1.599) 3.571 5.311 ( -5.538 0.000 -1.392) 5.710 5.315 ( -2.728 0.000 1.227) 2.991 5.376 ( -10.978 0.000 2.067) 11.171 5.495 ( -10.571 0.000 -1.186) 10.637 5.533 ( -11.438 0.000 -4.577) 12.320 5.534 ( -11.347 0.000 -0.096) 11.347 5.708 ( -2.872 0.000 0.555) 2.925 5.745 ( -7.969 0.000 0.607) 7.992 5.780 ( -7.281 0.000 -0.828) 7.327 5.804 ( -0.464 0.000 -0.001) 0.464 5.863 ( -5.222 0.000 3.203) 6.126 5.967 ( -6.896 0.000 0.203) 6.899 6.076 ( -3.931 0.000 -1.261) 4.129 6.115 ( -4.120 0.000 -1.689) 4.452 6.120 ( -2.590 0.000 1.453) 2.970 6.208 ( -5.123 0.000 -0.973) 5.214 6.251 ( -3.258 0.000 0.861) 3.370 6.387 ( -3.719 0.000 -6.505) 7.493 6.766 ( -13.394 0.000 6.928) 15.079 6.842 ( -9.521 0.000 4.026) 10.337 6.914 ( -8.973 0.000 13.550) 16.251 7.145 ( -6.410 0.000 2.308) 6.813 7.249 ( -8.084 0.000 -2.172) 8.370 7.362 ( -8.840 0.000 -6.749) 11.122 7.481 ( -7.160 0.000 -3.957) 8.180 7.492 ( -8.121 0.000 -2.800) 8.590 7.740 ( -3.411 0.000 -1.318) 3.656 7.825 ( -2.256 0.000 13.556) 13.743 7.995 ( -5.973 0.000 -7.764) 9.796 8.259 ( -1.508 0.000 -11.236) 11.337 8.273 ( -5.436 0.000 4.258) 6.905 8.569 ( -3.088 0.000 13.731) 14.074 8.593 ( -7.605 0.000 -10.532) 12.991 8.902 ( -5.325 0.000 -5.074) 7.355 ======================= Grid point 98 (51/84) ======================= q-point: (-0.11 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.841 ( -9.743 0.000 15.274) 18.116 0.923 ( -4.690 0.000 17.346) 17.969 1.252 ( -0.400 0.000 -1.445) 1.499 1.274 ( -9.016 0.000 17.085) 19.318 1.397 ( -0.142 0.000 -3.216) 3.219 1.430 ( -3.844 0.000 -5.431) 6.653 1.521 ( -9.129 0.000 -2.991) 9.606 1.536 ( -12.044 0.000 -2.062) 12.219 1.631 ( -6.644 0.000 -2.387) 7.059 1.703 ( -0.640 0.000 -6.053) 6.087 1.727 ( -5.953 0.000 1.214) 6.075 1.815 ( -2.715 0.000 -8.230) 8.666 2.039 ( -9.160 0.000 -5.832) 10.859 2.070 ( 7.873 0.000 4.013) 8.837 2.129 ( 4.217 0.000 8.630) 9.605 2.162 ( -3.328 0.000 -3.762) 5.023 2.341 ( 0.038 0.000 2.449) 2.449 2.422 ( 1.508 0.000 2.350) 2.792 2.472 ( -0.890 0.000 3.370) 3.486 2.621 ( -1.607 0.000 -1.098) 1.946 2.629 ( 3.024 0.000 -1.569) 3.407 2.657 ( -2.523 0.000 -0.130) 2.527 2.749 ( -2.796 0.000 3.057) 4.143 2.778 ( -6.359 0.000 -0.990) 6.435 2.838 ( -5.334 0.000 2.374) 5.839 2.869 ( -3.721 0.000 3.158) 4.880 2.931 ( -3.339 0.000 -0.827) 3.440 2.953 ( -0.579 0.000 -0.703) 0.911 3.011 ( -1.416 0.000 0.055) 1.417 3.044 ( -0.030 0.000 -1.594) 1.594 3.116 ( 2.915 0.000 1.926) 3.494 3.260 ( 3.275 0.000 1.434) 3.575 3.280 ( 0.272 0.000 -3.152) 3.163 3.336 ( 4.004 0.000 -1.138) 4.163 3.411 ( 4.262 0.000 3.637) 5.603 3.440 ( 4.090 0.000 0.854) 4.179 5.078 ( -12.947 0.000 2.160) 13.126 5.092 ( -9.252 0.000 -0.799) 9.286 5.101 ( -7.804 0.000 -0.611) 7.828 5.189 ( -11.280 0.000 -2.642) 11.585 5.203 ( -7.571 0.000 -2.064) 7.848 5.276 ( -3.658 0.000 0.021) 3.658 5.279 ( -9.406 0.000 -1.778) 9.572 5.330 ( -6.559 0.000 1.004) 6.636 5.651 ( -3.136 0.000 1.196) 3.356 5.676 ( -0.666 0.000 0.439) 0.798 5.684 ( -1.002 0.000 2.836) 3.008 5.762 ( -3.415 0.000 1.149) 3.603 5.845 ( 1.876 0.000 -0.303) 1.901 5.914 ( 2.128 0.000 -0.030) 2.128 6.014 ( -4.981 0.000 -2.640) 5.637 6.026 ( -0.827 0.000 -1.738) 1.924 6.098 ( -0.075 0.000 0.238) 0.250 6.165 ( -1.916 0.000 -0.172) 1.924 6.180 ( -4.152 0.000 -0.957) 4.261 6.327 ( -1.884 0.000 -6.709) 6.968 6.557 ( -7.282 0.000 7.472) 10.433 6.677 ( -6.646 0.000 3.836) 7.673 6.765 ( -6.308 0.000 14.225) 15.561 7.044 ( -3.450 0.000 3.458) 4.885 7.103 ( -5.742 0.000 -2.941) 6.452 7.199 ( -6.276 0.000 -5.583) 8.399 7.337 ( -6.564 0.000 -2.766) 7.123 7.355 ( -4.052 0.000 -7.420) 8.455 7.690 ( -1.593 0.000 0.102) 1.596 7.819 ( 0.627 0.000 11.586) 11.603 7.902 ( -2.886 0.000 -6.696) 7.292 8.206 ( -1.585 0.000 3.408) 3.759 8.249 ( 1.323 0.000 -10.459) 10.542 8.479 ( -3.108 0.000 -9.437) 9.936 8.552 ( 1.328 0.000 12.341) 12.412 8.818 ( -2.438 0.000 -2.542) 3.522 ======================= Grid point 99 (52/84) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.746 ( -1.007 -1.200 18.359) 18.426 0.849 ( 6.114 2.231 16.384) 17.629 1.147 ( 2.136 -14.999 0.383) 15.155 1.181 ( 0.426 -9.623 3.161) 10.138 1.311 ( 0.960 -0.202 -8.209) 8.267 1.336 ( 0.182 0.822 -0.412) 0.938 1.394 ( -0.753 -0.634 -3.567) 3.700 1.501 ( -2.078 1.064 -3.438) 4.155 1.631 ( -0.393 5.501 1.164) 5.637 1.653 ( -1.889 5.759 0.223) 6.065 1.781 ( -3.186 3.538 -0.332) 4.772 1.814 ( 1.398 6.002 -1.884) 6.444 1.964 ( -0.554 1.384 -1.289) 1.971 2.092 ( -1.535 -1.512 -0.837) 2.312 2.216 ( 3.601 -0.842 2.957) 4.735 2.244 ( 7.764 -2.682 3.300) 8.852 2.314 ( -0.848 2.467 0.508) 2.658 2.387 ( -3.302 -0.924 -1.060) 3.589 2.469 ( -3.127 0.902 3.498) 4.777 2.590 ( 1.761 -1.285 1.601) 2.705 2.626 ( -3.316 -0.503 0.153) 3.357 2.644 ( 1.467 -3.681 -2.684) 4.786 2.707 ( -1.834 2.536 0.198) 3.136 2.712 ( -0.011 1.461 0.813) 1.671 2.798 ( 0.437 2.662 2.018) 3.369 2.812 ( -0.662 -0.305 2.506) 2.610 2.896 ( 0.303 -1.055 1.804) 2.112 2.956 ( 1.842 -2.586 -0.123) 3.177 2.985 ( -0.250 1.560 -0.716) 1.734 3.070 ( -1.374 -0.201 -2.573) 2.924 3.145 ( 0.436 0.354 1.765) 1.852 3.219 ( 0.101 -4.055 -1.676) 4.389 3.337 ( 0.845 0.687 2.054) 2.325 3.367 ( -0.108 0.049 0.452) 0.467 3.461 ( -0.639 0.424 0.517) 0.925 3.503 ( 0.146 -0.252 0.133) 0.320 4.928 ( 0.210 0.068 1.131) 1.153 4.945 ( -0.260 -0.855 0.152) 0.907 4.996 ( 0.093 1.505 -0.968) 1.792 5.068 ( 0.771 -1.418 -2.923) 3.339 5.202 ( 1.357 -0.179 0.441) 1.439 5.207 ( 4.122 -0.329 0.685) 4.192 5.226 ( 0.290 0.616 -0.673) 0.957 5.255 ( -1.175 -0.491 -0.923) 1.573 5.659 ( -1.089 0.595 0.740) 1.445 5.676 ( 0.744 3.266 2.533) 4.199 5.715 ( 3.148 -0.050 0.574) 3.200 5.736 ( -0.888 0.830 1.424) 1.872 5.906 ( 1.041 0.715 -0.567) 1.384 5.941 ( -0.875 0.996 -1.615) 2.089 5.980 ( 1.397 -0.057 0.071) 1.400 6.025 ( -1.050 -0.558 -1.588) 1.983 6.090 ( -0.334 0.240 -0.855) 0.949 6.103 ( -0.904 -0.218 -1.621) 1.869 6.119 ( 0.861 -0.555 -2.094) 2.332 6.221 ( -0.545 -5.302 -4.432) 6.932 6.546 ( 0.210 3.361 7.702) 8.406 6.645 ( -1.226 2.146 4.736) 5.342 6.715 ( -0.742 1.101 9.926) 10.014 6.912 ( -0.440 -5.864 1.637) 6.104 7.117 ( 0.879 3.178 -1.815) 3.764 7.164 ( 0.496 2.448 -5.135) 5.711 7.278 ( -0.068 1.741 -4.729) 5.039 7.330 ( 1.997 -0.382 -7.867) 8.125 7.691 ( -0.838 1.604 1.835) 2.577 7.778 ( -1.590 -2.360 4.757) 5.543 7.979 ( 0.271 7.105 -4.454) 8.390 8.173 ( 0.981 -2.292 -1.252) 2.790 8.274 ( 0.407 -0.231 -2.679) 2.720 8.395 ( 0.586 -4.426 -5.125) 6.797 8.632 ( 0.016 2.020 1.328) 2.418 8.765 ( 1.478 -3.479 -1.933) 4.245 ======================= Grid point 100 (53/84) ======================= q-point: ( 0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.855 ( 8.929 -0.257 14.909) 17.380 1.048 ( 10.249 2.889 12.712) 16.583 1.172 ( 2.714 -10.744 2.949) 11.467 1.303 ( 6.383 -7.094 -1.354) 9.638 1.381 ( 5.023 -1.875 -5.100) 7.400 1.428 ( 9.735 -0.529 -5.183) 11.042 1.494 ( 7.840 -2.205 -6.082) 10.165 1.498 ( 3.401 -4.745 -5.006) 7.691 1.659 ( 5.184 4.430 1.249) 6.932 1.677 ( 4.431 7.227 5.887) 10.321 1.738 ( -0.010 5.333 -1.117) 5.448 1.856 ( 3.369 7.297 2.602) 8.448 1.993 ( 2.206 -2.743 -0.694) 3.587 2.060 ( -1.479 -1.833 0.466) 2.400 2.226 ( -4.480 1.225 -0.070) 4.645 2.254 ( 1.674 4.959 0.221) 5.238 2.322 ( -1.763 -1.860 -1.455) 2.947 2.436 ( 8.106 -0.933 3.093) 8.726 2.462 ( 0.863 -0.519 2.890) 3.060 2.586 ( -0.040 0.979 1.255) 1.592 2.636 ( 1.308 -0.669 0.198) 1.483 2.684 ( 0.237 4.233 -2.541) 4.943 2.708 ( 3.282 -4.928 1.509) 6.110 2.765 ( 5.416 -0.739 2.187) 5.887 2.802 ( -0.265 0.690 3.645) 3.719 2.846 ( 2.339 -0.550 0.903) 2.567 2.905 ( 1.088 0.907 1.592) 2.131 2.968 ( -1.014 1.514 -1.168) 2.164 3.010 ( 2.990 -2.072 -0.221) 3.644 3.022 ( -2.090 -1.740 -1.324) 3.025 3.151 ( 0.410 0.167 0.683) 0.814 3.216 ( 0.157 -3.483 -1.262) 3.708 3.295 ( -5.293 0.709 -0.587) 5.372 3.298 ( -4.200 -0.268 1.116) 4.354 3.410 ( -4.070 0.537 1.067) 4.242 3.462 ( -3.463 -1.027 0.043) 3.612 5.064 ( 9.460 0.149 0.653) 9.483 5.080 ( 9.423 -0.705 -0.422) 9.459 5.126 ( 11.706 0.699 -0.685) 11.747 5.143 ( 8.656 -0.317 -0.233) 8.665 5.232 ( 2.649 1.122 -0.270) 2.889 5.266 ( 4.493 -0.093 -0.777) 4.561 5.288 ( 6.292 1.063 -0.711) 6.420 5.412 ( 10.049 -3.543 -4.126) 11.426 5.650 ( 0.958 1.522 -0.220) 1.811 5.714 ( 1.257 1.283 1.453) 2.310 5.762 ( 5.067 1.871 2.717) 6.046 5.788 ( 3.382 1.192 -1.115) 3.755 5.910 ( 2.282 0.299 -0.706) 2.408 5.934 ( -2.729 0.529 -2.192) 3.540 5.978 ( -1.143 -0.631 -1.036) 1.667 5.992 ( 3.133 -0.506 -1.220) 3.400 6.106 ( 1.649 -0.610 -0.108) 1.761 6.154 ( 3.551 -0.297 -0.074) 3.564 6.194 ( 4.811 -0.475 -2.227) 5.322 6.228 ( 1.843 -3.655 -3.543) 5.414 6.604 ( 5.157 2.148 6.809) 8.808 6.677 ( 4.089 1.183 6.444) 7.723 6.781 ( 6.440 2.197 8.235) 10.683 6.975 ( 6.485 -5.892 2.033) 8.995 7.181 ( 5.603 2.963 -1.125) 6.438 7.231 ( 6.322 2.832 -4.864) 8.465 7.324 ( 4.795 2.765 -3.930) 6.788 7.420 ( 7.150 -1.358 -8.120) 10.904 7.684 ( 0.116 0.888 1.897) 2.098 7.742 ( -2.255 -1.382 7.175) 7.647 7.978 ( 1.117 7.073 -5.909) 9.283 8.204 ( 2.202 -2.164 -0.453) 3.121 8.280 ( 0.871 -1.026 -1.905) 2.333 8.401 ( 1.164 -5.188 -2.689) 5.959 8.605 ( -0.386 4.763 0.691) 4.828 8.824 ( 4.874 -4.559 -2.748) 7.218 ======================= Grid point 101 (54/84) ======================= q-point: ( 0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.064 ( 10.211 -0.426 10.702) 14.798 1.201 ( 5.016 -0.299 4.358) 6.652 1.285 ( 7.040 -1.002 4.947) 8.662 1.405 ( 5.425 -3.452 -4.946) 8.112 1.466 ( 4.612 -1.999 -5.574) 7.506 1.551 ( 4.142 -0.684 -2.508) 4.890 1.637 ( 6.855 0.389 -4.345) 8.125 1.667 ( 8.037 -4.953 -0.929) 9.487 1.777 ( 3.000 5.993 3.548) 7.583 1.787 ( 6.230 3.558 -1.848) 7.409 1.844 ( 6.303 -3.096 2.385) 7.416 1.926 ( 3.228 2.110 4.868) 6.210 2.045 ( 3.677 -0.983 -0.467) 3.835 2.074 ( 4.951 -2.397 0.535) 5.526 2.192 ( 1.412 -0.817 1.619) 2.298 2.297 ( -0.743 -1.678 -0.404) 1.879 2.334 ( 5.839 5.277 -2.845) 8.369 2.466 ( 0.512 3.505 1.995) 4.065 2.547 ( 1.590 2.561 1.248) 3.263 2.612 ( 2.564 1.881 1.136) 3.377 2.650 ( 0.499 -0.451 -1.158) 1.339 2.702 ( 1.184 2.077 -1.838) 3.016 2.753 ( 0.809 -4.150 3.578) 5.539 2.813 ( 1.383 -0.505 4.987) 5.200 2.866 ( 2.624 -4.427 2.139) 5.574 2.911 ( 3.470 -1.836 -0.323) 3.939 2.940 ( 1.876 2.239 1.568) 3.315 2.953 ( 1.010 1.416 0.393) 1.783 2.994 ( 0.608 -2.154 0.349) 2.265 3.084 ( 3.024 -1.501 0.856) 3.483 3.142 ( -0.817 -0.032 -2.054) 2.211 3.211 ( -1.494 -0.132 -0.608) 1.618 3.244 ( -0.734 -0.892 -1.222) 1.682 3.260 ( 4.055 -1.700 -0.481) 4.423 3.333 ( -2.667 1.535 1.120) 3.275 3.401 ( -1.799 -1.217 -0.098) 2.174 5.153 ( 2.521 -0.483 -0.907) 2.722 5.198 ( 3.740 -1.544 0.367) 4.063 5.280 ( 2.329 3.187 -1.167) 4.116 5.354 ( 5.040 1.086 0.698) 5.203 5.404 ( 13.193 0.508 1.751) 13.318 5.448 ( 11.618 0.147 -0.817) 11.647 5.492 ( 11.794 -0.327 -1.148) 11.854 5.560 ( 7.302 -3.843 -1.495) 8.386 5.713 ( 4.833 1.056 -1.075) 5.063 5.767 ( 4.606 0.168 -0.295) 4.619 5.840 ( 3.139 3.677 -1.887) 5.190 5.888 ( 2.129 0.541 -1.248) 2.526 5.914 ( 5.549 2.838 1.904) 6.517 5.969 ( 2.019 -0.125 0.234) 2.036 6.032 ( 6.912 -1.870 0.280) 7.166 6.070 ( 4.277 -1.407 -1.557) 4.764 6.150 ( 2.797 0.062 -0.276) 2.812 6.223 ( 4.405 0.352 0.479) 4.445 6.278 ( 4.606 -4.421 -3.140) 7.115 6.296 ( 4.676 0.637 -1.158) 4.859 6.768 ( 10.695 1.431 6.252) 12.470 6.813 ( 8.647 1.622 6.752) 11.090 6.955 ( 9.437 2.839 7.416) 12.334 7.142 ( 9.080 -5.361 1.657) 10.674 7.331 ( 8.837 1.803 0.085) 9.020 7.382 ( 8.579 0.841 -4.542) 9.744 7.442 ( 6.767 3.829 -3.372) 8.475 7.571 ( 7.524 -1.907 -4.326) 8.886 7.706 ( 2.032 0.706 1.487) 2.615 7.733 ( 1.762 0.913 6.756) 7.041 8.038 ( 5.265 5.529 -7.935) 11.011 8.266 ( 4.280 -1.712 -0.357) 4.623 8.317 ( 2.973 -1.000 -0.765) 3.229 8.464 ( 4.974 -4.433 0.929) 6.727 8.662 ( 5.935 5.026 -3.292) 8.445 8.945 ( 6.946 -5.780 -4.766) 10.216 ======================= Grid point 102 (55/84) ======================= q-point: ( 0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 6.902 -1.416 7.309) 10.152 1.288 ( 3.679 -1.074 1.902) 4.279 1.421 ( 6.276 2.243 3.896) 7.720 1.508 ( 4.617 -1.699 -2.721) 5.622 1.546 ( 3.107 -2.388 -6.047) 7.206 1.616 ( 0.995 -2.510 -0.414) 2.731 1.734 ( 2.899 0.125 -0.352) 2.923 1.756 ( 2.937 -1.140 -2.032) 3.749 1.793 ( -0.320 4.576 -1.983) 4.997 1.845 ( -0.128 -2.621 3.350) 4.255 1.890 ( 1.461 0.497 1.570) 2.202 2.047 ( 6.549 2.083 2.865) 7.445 2.091 ( -1.233 -1.394 -1.232) 2.232 2.187 ( 3.671 -3.457 0.471) 5.065 2.254 ( -0.801 -1.716 1.496) 2.414 2.293 ( 5.882 -0.795 1.170) 6.050 2.459 ( 5.700 5.579 0.383) 7.985 2.514 ( 1.388 0.905 1.166) 2.027 2.553 ( 1.480 6.274 0.501) 6.466 2.648 ( 0.613 0.312 -0.279) 0.742 2.679 ( 2.869 1.045 -1.126) 3.255 2.716 ( 0.448 1.005 -1.392) 1.775 2.769 ( 1.739 -3.857 3.196) 5.302 2.841 ( 0.216 -3.166 3.940) 5.059 2.874 ( -0.782 -0.840 0.625) 1.307 2.920 ( 1.124 -2.735 0.878) 3.084 2.990 ( 2.848 2.811 5.163) 6.532 2.997 ( 0.826 -0.546 -0.151) 1.002 3.064 ( 3.983 -2.351 -0.679) 4.675 3.102 ( -0.380 -2.334 2.029) 3.116 3.176 ( 3.647 2.049 -2.143) 4.700 3.235 ( 2.712 -1.436 -0.348) 3.088 3.263 ( 2.409 0.203 -2.182) 3.257 3.300 ( 1.096 0.844 -0.176) 1.395 3.370 ( 4.440 -0.551 -0.349) 4.487 3.401 ( 1.362 -1.109 -0.480) 1.821 5.205 ( 2.739 -0.093 -0.518) 2.789 5.255 ( 2.169 -1.252 1.040) 2.712 5.311 ( 0.898 2.897 -0.951) 3.178 5.405 ( 0.974 0.558 0.214) 1.142 5.576 ( 3.993 0.691 -0.503) 4.084 5.620 ( 4.386 -0.174 -0.688) 4.443 5.638 ( 8.311 0.893 1.159) 8.438 5.739 ( 6.638 -2.056 -1.123) 7.040 5.774 ( 2.050 -0.147 -1.624) 2.620 5.830 ( 0.892 -0.875 -1.661) 2.078 5.879 ( 1.624 0.728 -2.616) 3.164 5.943 ( 0.789 -0.878 -2.914) 3.144 6.044 ( 4.016 1.748 3.290) 5.478 6.080 ( 9.038 2.118 2.526) 9.620 6.134 ( 3.620 -0.904 0.384) 3.750 6.174 ( 5.313 -2.079 2.391) 6.186 6.228 ( 5.512 1.163 -1.217) 5.763 6.332 ( 5.919 2.362 2.482) 6.839 6.399 ( 5.587 0.995 -1.661) 5.913 6.409 ( 8.258 -5.350 -3.178) 10.341 7.002 ( 9.137 2.949 5.839) 11.237 7.013 ( 12.305 1.029 5.686) 13.594 7.126 ( 6.464 2.537 7.193) 9.998 7.298 ( 5.681 -4.687 1.459) 7.508 7.492 ( 6.721 0.579 -0.371) 6.756 7.555 ( 7.398 -0.243 -5.007) 8.936 7.564 ( 6.454 1.666 0.482) 6.683 7.687 ( 4.383 -2.703 2.529) 5.737 7.762 ( 3.251 2.843 2.046) 4.779 7.823 ( 5.760 3.302 0.901) 6.700 8.158 ( 6.921 3.736 -10.167) 12.854 8.365 ( 4.561 -3.046 -6.420) 8.444 8.395 ( 5.152 1.728 5.248) 7.555 8.569 ( 4.452 -2.453 4.150) 6.562 8.807 ( 8.205 2.575 -7.515) 11.421 9.059 ( 4.143 -5.989 -7.087) 10.162 ======================= Grid point 103 (56/84) ======================= q-point: ( 0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( 0.240 -3.036 4.769) 5.659 1.357 ( 2.474 -4.175 0.563) 4.886 1.525 ( 2.092 -0.076 3.995) 4.510 1.536 ( -3.606 -1.501 3.213) 5.058 1.580 ( 0.662 0.153 0.256) 0.726 1.612 ( 4.304 -0.460 -2.369) 4.935 1.758 ( -1.649 3.246 -1.389) 3.897 1.788 ( 1.489 1.029 -0.611) 1.910 1.812 ( 1.942 -1.615 -5.771) 6.299 1.876 ( -1.638 1.597 1.324) 2.643 1.902 ( 4.144 -0.834 0.091) 4.229 1.997 ( -4.887 -1.926 -4.201) 6.726 2.173 ( 3.888 -1.413 2.456) 4.811 2.205 ( 0.288 0.169 3.712) 3.727 2.263 ( 1.020 1.172 1.100) 1.904 2.381 ( 1.705 0.599 1.698) 2.480 2.485 ( -2.180 4.043 0.377) 4.608 2.553 ( 2.910 2.649 0.241) 3.943 2.598 ( 1.691 0.129 2.545) 3.058 2.652 ( -0.487 0.214 1.346) 1.447 2.705 ( 0.369 1.596 -2.138) 2.694 2.755 ( 2.153 2.136 -1.060) 3.213 2.813 ( 1.114 -4.553 1.898) 5.056 2.833 ( 0.224 -2.389 3.993) 4.658 2.891 ( 0.900 -1.791 2.939) 3.557 2.927 ( -0.383 -3.171 1.816) 3.674 3.006 ( 0.667 -1.812 -1.739) 2.598 3.060 ( 0.661 1.111 2.072) 2.442 3.082 ( 1.606 -0.278 0.122) 1.634 3.129 ( 1.358 0.575 1.573) 2.156 3.228 ( 1.440 0.733 -1.014) 1.908 3.275 ( 1.340 -0.788 -2.504) 2.947 3.308 ( 1.587 0.164 -0.555) 1.689 3.333 ( 1.140 1.410 -0.720) 1.951 3.424 ( 0.546 -1.093 -0.568) 1.348 3.436 ( 1.640 -0.866 -0.250) 1.872 5.255 ( 2.105 0.666 -0.310) 2.229 5.286 ( 0.954 0.626 0.501) 1.247 5.320 ( 0.132 1.209 0.334) 1.261 5.409 ( -0.229 -0.925 -0.832) 1.266 5.626 ( 1.356 1.247 -0.171) 1.851 5.678 ( 1.493 0.454 -1.458) 2.136 5.738 ( 0.897 -0.196 0.209) 0.941 5.788 ( 2.162 0.956 0.532) 2.424 5.828 ( -0.452 -0.672 -2.078) 2.231 5.856 ( 2.988 -1.409 -1.167) 3.503 5.887 ( -0.502 -1.082 -1.707) 2.082 5.941 ( -0.195 -1.097 -2.532) 2.766 6.098 ( 1.265 1.869 2.074) 3.065 6.148 ( 0.782 2.665 0.701) 2.864 6.200 ( 1.423 -2.502 1.962) 3.483 6.267 ( 2.642 -2.054 -0.126) 3.349 6.338 ( 3.841 2.452 1.730) 4.874 6.435 ( 3.459 1.332 3.295) 4.960 6.492 ( 3.236 0.414 -2.180) 3.924 6.544 ( 4.318 -3.730 -2.152) 6.098 7.151 ( 4.926 4.093 6.177) 8.898 7.206 ( 0.862 1.919 6.445) 6.780 7.221 ( 7.175 -0.079 3.591) 8.024 7.352 ( -0.469 -3.353 1.950) 3.907 7.589 ( 2.630 0.741 1.521) 3.127 7.616 ( 0.904 0.582 0.065) 1.077 7.698 ( 4.269 -2.569 -1.034) 5.089 7.736 ( -0.245 -2.645 -2.876) 3.916 7.838 ( 3.876 4.494 6.810) 9.033 7.922 ( 3.630 5.083 1.634) 6.457 8.270 ( 4.581 1.292 -12.171) 13.069 8.397 ( -0.710 -1.871 -9.048) 9.266 8.521 ( 5.824 1.893 6.935) 9.252 8.617 ( -0.391 -0.303 6.529) 6.548 8.947 ( 5.858 -0.825 -9.366) 11.078 9.076 ( -2.096 -4.960 -9.199) 10.659 ======================= Grid point 104 (57/84) ======================= q-point: (-0.44 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -5.237 -4.440 5.334) 8.694 1.368 ( -1.859 -5.603 -0.554) 5.929 1.447 ( -2.990 0.237 1.919) 3.561 1.496 ( -4.358 -0.579 2.738) 5.180 1.639 ( 2.491 1.202 2.179) 3.521 1.689 ( 0.980 0.725 1.300) 1.782 1.732 ( 0.243 1.156 2.833) 3.069 1.763 ( -2.733 0.607 -4.111) 4.973 1.806 ( -2.266 1.204 -1.539) 2.992 1.851 ( 0.064 0.737 -3.372) 3.452 1.962 ( 2.171 -1.547 -2.399) 3.587 1.986 ( 2.851 -2.780 -3.173) 5.091 2.185 ( -1.048 -0.533 1.525) 1.926 2.250 ( 1.765 -0.869 4.341) 4.766 2.276 ( -0.245 2.582 1.025) 2.789 2.358 ( -3.340 2.098 -0.577) 3.987 2.465 ( -0.355 3.344 2.095) 3.962 2.569 ( -0.705 1.167 -0.138) 1.370 2.593 ( -2.569 1.446 1.228) 3.194 2.643 ( -0.497 -1.079 1.175) 1.671 2.723 ( 1.274 2.357 0.179) 2.685 2.741 ( -2.993 1.718 -0.710) 3.523 2.814 ( -2.068 -2.299 1.609) 3.486 2.846 ( 0.574 -2.857 4.804) 5.619 2.900 ( 0.514 -2.193 1.199) 2.552 2.924 ( 0.147 -4.088 2.924) 5.028 2.984 ( -2.930 -1.610 -2.065) 3.929 3.043 ( -1.285 -2.957 -1.237) 3.454 3.103 ( -0.448 2.452 1.883) 3.124 3.147 ( 0.023 0.179 2.149) 2.157 3.231 ( -1.150 1.542 -1.509) 2.445 3.288 ( -0.429 -0.148 -2.609) 2.648 3.312 ( -1.576 0.383 0.247) 1.641 3.325 ( -0.666 1.680 -1.162) 2.149 3.411 ( -1.911 -1.145 -0.126) 2.232 3.429 ( -2.142 -1.095 -0.271) 2.421 5.273 ( -0.438 1.345 -1.112) 1.799 5.298 ( 0.147 1.665 -0.649) 1.793 5.321 ( 0.011 -0.162 1.833) 1.840 5.400 ( -0.639 -2.120 -1.051) 2.451 5.634 ( -0.514 1.585 0.079) 1.668 5.668 ( -2.367 1.453 -1.509) 3.161 5.737 ( -0.591 -0.975 0.440) 1.223 5.793 ( -1.952 0.876 0.768) 2.274 5.806 ( -1.678 0.095 -2.180) 2.752 5.850 ( -2.240 -1.832 -0.757) 2.991 5.885 ( -0.524 -1.012 -1.790) 2.122 5.940 ( -0.089 -1.424 -2.555) 2.926 6.102 ( -0.913 1.880 2.160) 3.005 6.139 ( -1.791 3.289 0.780) 3.825 6.206 ( -0.830 -2.140 1.533) 2.760 6.268 ( -2.539 -2.169 -0.342) 3.357 6.347 ( -2.750 2.221 1.761) 3.949 6.446 ( -2.930 0.762 2.591) 3.984 6.503 ( -2.479 -1.276 -1.602) 3.216 6.554 ( -3.122 -1.598 -3.139) 4.707 7.166 ( -4.882 1.508 7.169) 8.803 7.194 ( -1.961 4.006 5.809) 7.324 7.249 ( -5.609 -2.033 3.864) 7.108 7.320 ( -1.394 -0.463 2.542) 2.936 7.573 ( -3.782 2.023 -0.546) 4.324 7.617 ( -1.283 -1.737 4.234) 4.754 7.666 ( -6.004 -1.321 -3.428) 7.039 7.725 ( -1.388 -1.655 -4.880) 5.336 7.894 ( 0.570 3.621 8.736) 9.474 7.954 ( -0.893 4.962 2.468) 5.613 8.300 ( -1.983 -0.645 -12.436) 12.609 8.326 ( -4.133 -1.327 -10.489) 11.352 8.558 ( -5.186 1.350 6.787) 8.648 8.610 ( 1.482 0.522 8.478) 8.622 8.966 ( -7.447 -2.547 -10.637) 13.233 9.007 ( 0.397 -3.261 -8.466) 9.081 ======================= Grid point 105 (58/84) ======================= q-point: (-0.33 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.129 ( -9.429 -2.929 7.549) 12.429 1.306 ( -3.469 -6.041 -1.290) 7.084 1.360 ( -7.717 1.733 5.624) 9.705 1.415 ( -3.463 0.771 -1.084) 3.710 1.611 ( -5.388 4.330 -2.459) 7.336 1.662 ( -1.314 -1.735 1.992) 2.951 1.693 ( -1.418 -2.963 -0.813) 3.384 1.748 ( -2.616 -2.735 -0.634) 3.838 1.820 ( 1.637 3.045 -0.157) 3.461 1.872 ( 2.818 2.408 0.381) 3.726 1.968 ( -3.711 -1.373 0.987) 4.078 2.005 ( -0.099 -2.536 -2.578) 3.618 2.137 ( -4.809 0.068 -0.351) 4.823 2.190 ( -7.900 1.548 0.336) 8.057 2.227 ( -5.470 -0.740 0.530) 5.545 2.314 ( -1.943 0.335 0.989) 2.206 2.445 ( -1.455 2.443 3.376) 4.414 2.516 ( -5.107 2.211 1.029) 5.660 2.560 ( 0.326 1.075 0.680) 1.313 2.610 ( -2.556 2.128 -1.906) 3.833 2.694 ( -0.696 0.118 -1.521) 1.677 2.711 ( -2.483 1.350 0.839) 2.948 2.795 ( 0.684 -0.111 2.666) 2.754 2.836 ( -1.056 -3.624 3.746) 5.318 2.889 ( -2.426 -3.229 -0.544) 4.076 2.937 ( -0.405 -1.390 2.058) 2.516 2.954 ( 2.282 -2.401 1.961) 3.850 3.005 ( -2.201 -3.051 -1.104) 3.921 3.086 ( -2.093 0.917 1.713) 2.856 3.132 ( -0.549 0.281 1.387) 1.517 3.165 ( -5.143 1.453 -2.015) 5.712 3.251 ( -2.413 0.204 -0.701) 2.521 3.281 ( -1.340 -1.042 -0.458) 1.758 3.301 ( -2.938 0.378 -1.041) 3.140 3.359 ( -1.616 0.366 -0.838) 1.857 3.378 ( -2.147 0.251 -0.008) 2.162 5.243 ( -2.264 0.610 -2.368) 3.332 5.287 ( -1.088 1.880 0.279) 2.190 5.314 ( -1.346 -1.183 -0.162) 1.799 5.379 ( -1.619 -1.518 0.638) 2.309 5.583 ( -6.234 2.171 -0.290) 6.607 5.605 ( -2.754 1.094 -0.471) 3.001 5.696 ( -4.518 0.170 0.832) 4.598 5.714 ( -6.476 0.145 -2.085) 6.804 5.760 ( -1.897 0.392 -0.810) 2.100 5.803 ( -1.961 -1.922 -0.563) 2.803 5.848 ( -3.260 -0.921 -0.583) 3.437 5.904 ( -4.193 -1.421 -3.310) 5.528 6.061 ( -4.379 0.910 2.499) 5.124 6.078 ( -3.992 4.180 1.889) 6.081 6.144 ( -6.107 -2.816 0.223) 6.728 6.182 ( -5.220 -0.092 0.550) 5.249 6.266 ( -4.353 0.978 1.980) 4.881 6.331 ( -7.923 1.256 -0.800) 8.062 6.380 ( -8.644 -2.025 0.970) 8.930 6.451 ( -5.973 -1.381 -5.980) 8.564 7.017 ( -10.917 0.194 7.436) 13.211 7.051 ( -9.892 1.150 4.848) 11.076 7.136 ( -6.851 3.617 8.086) 11.199 7.250 ( -5.919 -0.894 2.490) 6.483 7.464 ( -6.772 2.488 -1.504) 7.370 7.507 ( -8.920 -1.572 -4.033) 9.915 7.562 ( -4.484 -1.341 2.032) 5.103 7.648 ( -5.636 -1.288 -6.331) 8.573 7.866 ( -3.823 3.971 4.066) 6.850 7.900 ( -3.921 2.739 7.812) 9.160 8.159 ( -7.848 0.801 -10.702) 13.295 8.270 ( -2.772 -3.541 -10.851) 11.746 8.431 ( -7.217 2.476 5.453) 9.378 8.594 ( -3.827 -2.502 8.112) 9.312 8.791 ( -8.324 1.125 -8.402) 11.881 8.959 ( -4.333 -4.260 -6.764) 9.093 ======================= Grid point 106 (59/84) ======================= q-point: (-0.22 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.935 ( -9.990 -1.850 11.096) 15.045 1.177 ( -11.171 4.785 9.394) 15.360 1.237 ( -3.497 -10.180 -2.114) 10.970 1.320 ( -5.472 0.156 -1.563) 5.693 1.511 ( -4.806 2.476 -5.200) 7.502 1.572 ( -8.972 -2.395 0.704) 9.313 1.643 ( -4.522 -3.787 0.361) 5.910 1.687 ( -2.221 0.198 -0.123) 2.233 1.794 ( -8.452 1.139 3.401) 9.181 1.842 ( -2.434 4.141 -3.357) 5.860 1.904 ( -7.355 1.126 -3.040) 8.037 1.956 ( -6.090 2.749 2.754) 7.227 1.990 ( -0.678 0.910 -0.233) 1.159 2.060 ( -3.778 0.992 3.285) 5.103 2.116 ( -3.422 -4.680 -1.280) 5.937 2.230 ( -4.877 -4.429 0.929) 6.653 2.398 ( -5.576 4.067 -0.797) 6.947 2.454 ( 0.258 1.176 2.735) 2.988 2.539 ( -1.526 4.087 1.638) 4.660 2.591 ( -0.518 1.300 -1.434) 2.003 2.659 ( -0.502 0.650 0.189) 0.843 2.720 ( 0.555 1.305 -0.365) 1.464 2.764 ( -2.844 -1.282 3.785) 4.905 2.843 ( -0.351 -2.822 0.479) 2.884 2.859 ( -0.956 -3.441 1.878) 4.035 2.922 ( -2.101 -1.458 1.884) 3.177 2.956 ( -2.905 -3.794 -1.107) 4.905 2.986 ( -1.621 -3.178 2.224) 4.204 3.028 ( -2.314 2.099 1.547) 3.486 3.063 ( -2.325 1.565 -1.633) 3.244 3.136 ( -0.562 1.577 -0.074) 1.676 3.196 ( -1.735 -1.998 -1.608) 3.096 3.235 ( -0.708 -1.375 -0.052) 1.547 3.272 ( 0.424 -0.934 -1.544) 1.854 3.373 ( 1.995 1.385 0.223) 2.440 3.380 ( 3.027 1.608 0.223) 3.435 5.183 ( -3.542 0.141 -2.285) 4.218 5.248 ( -3.877 2.198 -0.016) 4.456 5.258 ( -3.548 -2.522 -1.325) 4.550 5.324 ( -5.340 -0.510 1.915) 5.696 5.412 ( -10.260 2.173 1.198) 10.556 5.478 ( -11.449 -1.283 -0.487) 11.531 5.521 ( -12.371 0.081 -3.350) 12.816 5.547 ( -11.647 -0.136 -2.302) 11.873 5.716 ( -4.246 0.279 -0.178) 4.259 5.746 ( -2.681 1.284 1.947) 3.553 5.761 ( -5.215 -1.364 -0.271) 5.397 5.807 ( -2.001 -0.301 -0.050) 2.024 5.920 ( -6.371 3.807 1.494) 7.571 5.979 ( -6.223 1.660 0.643) 6.472 6.047 ( -2.938 -2.576 -0.193) 3.912 6.077 ( -4.710 -0.661 -0.555) 4.788 6.177 ( -5.102 -0.255 -2.368) 5.631 6.200 ( -3.224 2.837 1.270) 4.478 6.254 ( -3.720 -1.243 1.138) 4.084 6.331 ( -5.029 -3.750 -5.794) 8.539 6.784 ( -11.642 2.272 7.842) 14.220 6.867 ( -8.968 1.248 4.428) 10.079 6.971 ( -9.879 3.649 9.247) 14.014 7.110 ( -7.653 -2.307 2.318) 8.323 7.302 ( -8.788 2.625 -1.469) 9.288 7.342 ( -7.192 -0.913 -4.336) 8.448 7.449 ( -6.482 -0.652 -2.326) 6.918 7.507 ( -7.586 -0.408 -6.076) 9.728 7.777 ( -4.233 3.037 1.136) 5.332 7.837 ( -2.932 0.853 11.099) 11.511 8.020 ( -4.783 2.450 -8.916) 10.411 8.208 ( -2.245 -3.759 -9.154) 10.147 8.308 ( -4.876 2.388 3.336) 6.372 8.490 ( -5.959 -4.907 2.544) 8.128 8.655 ( -4.750 3.636 -0.841) 6.040 8.852 ( -5.241 -4.308 -4.520) 8.152 ======================= Grid point 107 (60/84) ======================= q-point: (-0.11 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.791 ( -4.456 -2.912 17.036) 17.849 0.928 ( -13.283 4.610 12.276) 18.665 1.163 ( -3.499 -13.069 -0.122) 13.530 1.224 ( -3.754 -5.653 -0.493) 6.804 1.375 ( -6.138 1.404 -0.182) 6.299 1.403 ( -6.966 -1.823 -3.978) 8.227 1.530 ( -10.499 1.853 0.386) 10.668 1.576 ( -3.532 4.622 2.247) 6.236 1.657 ( -4.597 -0.757 -6.464) 7.968 1.734 ( -5.919 5.516 -2.113) 8.362 1.791 ( 0.004 2.594 -1.853) 3.187 1.857 ( -4.654 3.018 -1.681) 5.797 2.006 ( -1.277 -3.163 3.002) 4.544 2.085 ( 5.727 -0.606 3.923) 6.968 2.134 ( 3.740 2.643 1.291) 4.758 2.139 ( -3.431 -3.179 -0.933) 4.770 2.322 ( -1.385 1.372 0.469) 2.005 2.434 ( -1.988 -1.494 2.304) 3.390 2.530 ( -1.298 4.016 3.020) 5.190 2.573 ( -0.181 -0.856 -0.790) 1.179 2.655 ( -1.333 -0.686 -0.496) 1.579 2.692 ( -1.532 2.874 0.169) 3.261 2.730 ( -1.901 0.320 1.238) 2.291 2.770 ( -5.061 -1.314 0.074) 5.229 2.822 ( -2.883 -0.483 2.823) 4.064 2.863 ( -3.695 -0.921 1.746) 4.189 2.910 ( -1.719 -2.254 -1.188) 3.074 2.936 ( -0.760 -2.818 1.239) 3.171 2.986 ( -0.468 1.344 -0.489) 1.505 3.076 ( 0.644 -0.656 -1.697) 1.930 3.126 ( 0.735 1.441 1.564) 2.250 3.207 ( 1.270 -2.938 -1.277) 3.446 3.277 ( 3.704 -1.292 1.462) 4.187 3.313 ( 3.760 -0.171 -0.867) 3.862 3.433 ( 2.973 0.924 0.400) 3.139 3.456 ( 3.845 0.845 0.512) 3.970 5.078 ( -11.319 0.157 1.497) 11.418 5.096 ( -10.215 0.504 -0.650) 10.248 5.103 ( -10.093 -0.087 0.018) 10.093 5.165 ( -8.335 -1.919 -1.714) 8.723 5.212 ( -7.530 1.084 -2.151) 7.906 5.271 ( -8.365 -0.839 -1.364) 8.517 5.290 ( -5.316 0.990 -0.238) 5.412 5.323 ( -6.793 -0.551 0.434) 6.830 5.672 ( -0.650 0.457 0.024) 0.795 5.679 ( -1.242 -0.208 2.337) 2.655 5.709 ( -2.367 3.408 2.045) 4.626 5.769 ( -2.468 0.415 1.624) 2.983 5.876 ( 0.700 2.410 -0.599) 2.580 5.921 ( 1.461 0.759 -0.217) 1.661 5.997 ( -2.930 -1.197 -1.646) 3.567 6.017 ( -0.393 -0.863 -1.766) 2.004 6.109 ( -1.557 0.693 -1.570) 2.317 6.152 ( -3.043 -0.380 0.243) 3.076 6.185 ( -3.827 -0.197 -0.794) 3.914 6.253 ( -2.449 -5.146 -4.617) 7.334 6.600 ( -6.667 3.868 8.044) 11.141 6.716 ( -6.070 2.067 3.810) 7.458 6.793 ( -7.601 2.017 10.061) 12.770 6.976 ( -5.516 -4.504 1.857) 7.359 7.157 ( -4.888 2.747 -1.420) 5.784 7.215 ( -4.807 1.263 -4.749) 6.874 7.330 ( -4.503 0.175 -4.955) 6.698 7.367 ( -5.079 0.344 -6.016) 7.881 7.716 ( -2.039 2.193 1.600) 3.395 7.802 ( -1.513 -1.270 7.644) 7.895 7.968 ( 0.066 5.474 -5.677) 7.887 8.173 ( -0.823 -2.507 -4.021) 4.810 8.263 ( 0.175 0.847 -1.465) 1.702 8.403 ( -2.208 -4.999 -1.585) 5.690 8.607 ( 0.105 3.328 2.894) 4.411 8.771 ( -2.198 -3.902 -2.438) 5.099 ======================= Grid point 108 (61/84) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 1.479 -11.178 10.135) 15.161 0.838 ( 1.479 11.178 10.135) 15.161 0.986 ( 2.721 -8.569 8.707) 12.516 0.986 ( 2.721 8.569 8.707) 12.516 1.320 ( 1.190 -1.107 -7.847) 8.014 1.320 ( 1.190 1.107 -7.847) 8.014 1.430 ( -4.046 -3.871 -9.218) 10.785 1.430 ( -4.046 3.871 -9.218) 10.785 1.762 ( -2.352 -1.802 -0.539) 3.011 1.762 ( -2.352 1.802 -0.539) 3.011 1.840 ( 2.282 -5.779 7.843) 10.005 1.840 ( 2.282 5.779 7.843) 10.005 2.002 ( -0.226 -6.165 2.732) 6.747 2.002 ( -0.226 6.165 2.732) 6.747 2.211 ( 3.380 -3.092 1.001) 4.689 2.211 ( 3.380 3.092 1.001) 4.689 2.374 ( -0.067 -1.576 -1.414) 2.119 2.374 ( -0.067 1.576 -1.414) 2.119 2.513 ( -0.948 -4.514 0.702) 4.666 2.513 ( -0.948 4.514 0.702) 4.666 2.612 ( -2.141 -0.557 0.492) 2.266 2.612 ( -2.141 0.557 0.492) 2.266 2.746 ( -0.777 -1.389 -0.170) 1.601 2.746 ( -0.777 1.389 -0.170) 1.601 2.830 ( 0.055 -2.656 1.854) 3.240 2.830 ( 0.055 2.656 1.854) 3.240 2.890 ( 1.764 -3.101 2.517) 4.366 2.890 ( 1.764 3.101 2.517) 4.366 3.028 ( -0.651 -2.534 -3.128) 4.078 3.028 ( -0.651 2.534 -3.128) 4.078 3.161 ( -0.082 -1.163 0.711) 1.366 3.161 ( -0.082 1.163 0.711) 1.366 3.358 ( 0.646 -1.132 1.879) 2.286 3.358 ( 0.646 1.132 1.879) 2.286 3.482 ( -0.648 -1.403 -1.015) 1.849 3.482 ( -0.648 1.403 -1.015) 1.849 4.932 ( -0.015 -0.367 0.700) 0.790 4.932 ( -0.015 0.367 0.700) 0.790 5.032 ( 0.645 -1.795 -1.859) 2.663 5.032 ( 0.645 1.795 -1.859) 2.663 5.201 ( 2.245 -0.154 0.694) 2.355 5.201 ( 2.245 0.154 0.694) 2.355 5.241 ( -0.728 -0.769 -0.842) 1.353 5.241 ( -0.728 0.769 -0.842) 1.353 5.683 ( 0.728 -1.473 1.510) 2.232 5.683 ( 0.728 1.473 1.510) 2.232 5.740 ( 0.244 -1.302 1.409) 1.934 5.740 ( 0.244 1.303 1.409) 1.934 5.931 ( 0.566 -1.429 0.133) 1.543 5.931 ( 0.566 1.429 0.133) 1.543 6.004 ( -1.146 -1.494 -2.344) 3.006 6.004 ( -1.146 1.494 -2.344) 3.006 6.100 ( 1.547 -0.761 -1.103) 2.047 6.100 ( 1.547 0.761 -1.103) 2.047 6.128 ( -1.137 -2.630 -2.583) 3.858 6.128 ( -1.137 2.630 -2.583) 3.858 6.625 ( -1.081 -3.359 7.731) 8.498 6.625 ( -1.081 3.359 7.731) 8.498 6.789 ( -0.657 -5.358 3.708) 6.549 6.789 ( -0.657 5.358 3.708) 6.549 7.174 ( 1.063 -1.760 -4.147) 4.628 7.174 ( 1.063 1.760 -4.147) 4.628 7.314 ( 0.981 -1.372 -6.318) 6.539 7.314 ( 0.981 1.372 -6.318) 6.539 7.732 ( -1.476 -2.092 3.863) 4.634 7.732 ( -1.476 2.092 3.863) 4.634 8.112 ( 0.913 -4.282 -5.446) 6.987 8.112 ( 0.913 4.282 -5.446) 6.987 8.298 ( -0.036 -3.473 -0.130) 3.475 8.298 ( -0.037 3.473 -0.130) 3.475 8.687 ( 0.972 -3.324 -2.153) 4.078 8.687 ( 0.972 3.324 -2.153) 4.078 ======================= Grid point 110 (62/84) ======================= q-point: ( 0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 7.296 -8.490 10.401) 15.280 0.942 ( 7.296 8.490 10.401) 15.280 1.151 ( 10.446 -6.005 6.357) 13.623 1.151 ( 10.446 6.005 6.357) 13.623 1.397 ( 3.436 -3.354 -9.510) 10.654 1.397 ( 3.436 3.354 -9.510) 10.654 1.448 ( 9.329 -1.624 -6.706) 11.604 1.448 ( 9.329 1.624 -6.706) 11.604 1.737 ( 1.066 -2.275 -0.021) 2.512 1.737 ( 1.066 2.275 -0.021) 2.512 1.878 ( 1.456 -6.768 6.128) 9.245 1.878 ( 1.456 6.768 6.128) 9.245 1.999 ( -0.503 -4.853 1.128) 5.007 1.999 ( -0.503 4.853 1.128) 5.007 2.250 ( -1.117 -3.031 0.641) 3.293 2.250 ( -1.117 3.031 0.641) 3.293 2.375 ( 3.261 -3.508 -0.314) 4.800 2.375 ( 3.261 3.508 -0.314) 4.800 2.546 ( 3.322 -6.928 1.895) 7.913 2.546 ( 3.322 6.928 1.895) 7.913 2.624 ( 2.340 -1.830 1.017) 3.140 2.624 ( 2.340 1.830 1.017) 3.140 2.774 ( 2.870 -1.683 0.757) 3.412 2.774 ( 2.870 1.683 0.757) 3.412 2.811 ( -1.810 -3.373 1.343) 4.057 2.811 ( -1.810 3.373 1.343) 4.057 2.938 ( 2.403 -3.430 1.196) 4.356 2.938 ( 2.403 3.431 1.195) 4.356 2.995 ( -1.383 -0.887 -1.542) 2.254 2.995 ( -1.383 0.887 -1.542) 2.254 3.163 ( 0.675 -1.362 0.021) 1.521 3.163 ( 0.675 1.362 0.021) 1.521 3.301 ( -5.154 -0.328 0.343) 5.176 3.301 ( -5.154 0.328 0.343) 5.176 3.431 ( -3.617 -1.496 -0.243) 3.922 3.431 ( -3.617 1.496 -0.243) 3.922 5.069 ( 9.492 -0.343 0.130) 9.499 5.069 ( 9.492 0.343 0.130) 9.499 5.136 ( 9.389 -0.322 -0.509) 9.408 5.136 ( 9.389 0.322 -0.509) 9.408 5.255 ( 4.302 -0.882 0.019) 4.392 5.255 ( 4.302 0.882 0.019) 4.392 5.335 ( 8.407 -3.266 -2.521) 9.365 5.335 ( 8.407 3.266 -2.521) 9.365 5.695 ( 1.090 -2.129 0.323) 2.414 5.695 ( 1.090 2.129 0.323) 2.414 5.801 ( 5.396 -0.964 1.987) 5.830 5.801 ( 5.396 0.964 1.987) 5.830 5.931 ( -0.838 -1.257 -0.254) 1.532 5.931 ( -0.838 1.257 -0.254) 1.532 5.972 ( 0.519 -0.515 -2.157) 2.278 5.972 ( 0.519 0.515 -2.157) 2.278 6.121 ( 1.208 -2.270 -2.491) 3.580 6.121 ( 1.208 2.270 -2.491) 3.580 6.187 ( 4.849 -1.008 -0.555) 4.983 6.187 ( 4.849 1.008 -0.555) 4.983 6.661 ( 4.328 -2.483 7.334) 8.871 6.661 ( 4.328 2.483 7.334) 8.871 6.857 ( 6.823 -4.929 4.305) 9.454 6.857 ( 6.823 4.929 4.305) 9.454 7.241 ( 5.585 -1.978 -3.817) 7.048 7.241 ( 5.585 1.978 -3.817) 7.048 7.382 ( 6.022 -2.308 -6.116) 8.888 7.382 ( 6.022 2.308 -6.116) 8.888 7.711 ( -0.709 -1.498 4.531) 4.825 7.711 ( -0.709 1.498 4.531) 4.825 8.129 ( 1.555 -5.625 -5.952) 8.336 8.129 ( 1.555 5.625 -5.952) 8.336 8.296 ( 0.759 -3.398 1.218) 3.689 8.296 ( 0.759 3.398 1.218) 3.689 8.712 ( 2.514 -5.408 -2.165) 6.345 8.712 ( 2.514 5.408 -2.165) 6.345 ======================= Grid point 112 (63/84) ======================= q-point: ( 0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 8.257 -4.690 8.450) 12.711 1.112 ( 8.257 4.690 8.450) 12.711 1.325 ( 7.332 -2.802 -2.694) 8.299 1.325 ( 7.332 2.802 -2.694) 8.299 1.505 ( 5.992 -3.980 -2.676) 7.675 1.505 ( 5.992 3.980 -2.676) 7.675 1.622 ( 6.647 -2.009 -2.353) 7.332 1.622 ( 6.647 2.009 -2.353) 7.332 1.794 ( 2.901 -0.554 -0.284) 2.968 1.794 ( 2.901 0.554 -0.284) 2.968 1.954 ( 5.781 -5.081 1.032) 7.765 1.954 ( 5.781 5.081 1.032) 7.765 2.000 ( 1.759 -2.099 2.150) 3.482 2.000 ( 1.759 2.099 2.150) 3.482 2.226 ( 0.101 -3.048 0.586) 3.106 2.226 ( 0.101 3.048 0.586) 3.106 2.466 ( 4.418 -3.954 0.602) 5.959 2.466 ( 4.418 3.954 0.602) 5.959 2.616 ( 3.095 -3.875 2.859) 5.725 2.616 ( 3.095 3.875 2.859) 5.725 2.666 ( 1.068 -3.397 0.002) 3.561 2.666 ( 1.068 3.397 0.002) 3.561 2.764 ( -1.184 -3.019 0.477) 3.278 2.764 ( -1.184 3.019 0.477) 3.278 2.851 ( 2.767 -2.984 1.820) 4.458 2.851 ( 2.767 2.984 1.820) 4.458 2.955 ( 1.436 -0.574 -0.143) 1.553 2.955 ( 1.436 0.574 -0.143) 1.553 3.014 ( 1.529 -2.906 2.341) 4.033 3.014 ( 1.529 2.906 2.341) 4.033 3.192 ( 1.295 -2.841 -2.198) 3.818 3.192 ( 1.295 2.841 -2.198) 3.818 3.230 ( 0.123 -0.480 -0.455) 0.673 3.230 ( 0.123 0.480 -0.455) 0.673 3.368 ( -1.930 -1.756 0.292) 2.625 3.368 ( -1.930 1.756 0.292) 2.625 5.162 ( 2.843 -1.276 -0.286) 3.129 5.162 ( 2.843 1.276 -0.286) 3.129 5.345 ( 3.996 -2.043 0.115) 4.489 5.345 ( 3.996 2.043 0.115) 4.489 5.434 ( 14.521 -1.735 0.776) 14.644 5.434 ( 14.521 1.736 0.776) 14.644 5.497 ( 7.703 -1.384 -1.844) 8.041 5.497 ( 7.703 1.384 -1.844) 8.041 5.745 ( 3.627 -1.629 -0.830) 4.062 5.745 ( 3.627 1.629 -0.830) 4.062 5.893 ( 1.805 -0.465 -2.105) 2.811 5.893 ( 1.805 0.465 -2.105) 2.811 5.978 ( 6.774 -2.990 1.897) 7.644 5.978 ( 6.774 2.990 1.897) 7.644 6.013 ( 3.735 -3.785 0.209) 5.322 6.013 ( 3.735 3.785 0.209) 5.322 6.171 ( 4.175 -2.736 -2.623) 5.639 6.171 ( 4.175 2.736 -2.623) 5.639 6.280 ( 4.782 -1.930 0.165) 5.159 6.280 ( 4.782 1.930 0.165) 5.159 6.811 ( 9.933 -1.834 6.984) 12.280 6.811 ( 9.933 1.834 6.984) 12.280 7.033 ( 9.462 -4.652 3.879) 11.235 7.033 ( 9.462 4.652 3.879) 11.235 7.371 ( 7.398 -1.760 -2.551) 8.021 7.371 ( 7.398 1.760 -2.551) 8.021 7.517 ( 6.854 -2.925 -3.795) 8.362 7.517 ( 6.854 2.925 -3.795) 8.362 7.732 ( 3.055 -1.174 3.699) 4.939 7.732 ( 3.055 1.174 3.699) 4.939 8.179 ( 4.080 -6.257 -6.675) 10.017 8.179 ( 4.080 6.257 -6.675) 10.017 8.354 ( 4.856 -4.380 2.267) 6.921 8.354 ( 4.856 4.380 2.267) 6.921 8.798 ( 5.941 -7.297 -3.633) 10.086 8.798 ( 5.941 7.297 -3.633) 10.086 ======================= Grid point 114 (64/84) ======================= q-point: ( 0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.248 ( 4.410 -1.742 4.553) 6.574 1.248 ( 4.410 1.742 4.553) 6.574 1.470 ( 7.375 -1.603 -3.529) 8.331 1.470 ( 7.375 1.603 -3.529) 8.331 1.560 ( -0.492 -2.525 0.383) 2.601 1.560 ( -0.492 2.525 0.383) 2.601 1.716 ( 3.729 -1.091 -0.746) 3.957 1.716 ( 3.729 1.091 -0.746) 3.957 1.834 ( 1.531 -0.510 -1.792) 2.412 1.834 ( 1.531 0.510 -1.792) 2.412 1.987 ( -0.773 -6.513 -0.149) 6.560 1.987 ( -0.773 6.513 -0.149) 6.560 2.109 ( 4.473 -3.267 2.724) 6.173 2.109 ( 4.473 3.267 2.724) 6.173 2.270 ( 4.165 -1.858 2.205) 5.066 2.270 ( 4.165 1.858 2.205) 5.066 2.536 ( 2.211 -1.107 1.713) 3.008 2.536 ( 2.211 1.107 1.713) 3.008 2.642 ( -0.395 -1.193 0.618) 1.400 2.642 ( -0.395 1.193 0.618) 1.400 2.698 ( 2.510 -2.362 0.574) 3.494 2.698 ( 2.510 2.362 0.574) 3.494 2.769 ( 1.398 -2.905 -0.036) 3.224 2.769 ( 1.398 2.905 -0.036) 3.224 2.866 ( -0.131 -1.502 0.968) 1.791 2.866 ( -0.131 1.502 0.968) 1.791 3.011 ( 0.585 -2.102 -0.495) 2.237 3.011 ( 0.585 2.102 -0.495) 2.237 3.048 ( 4.011 -2.315 4.811) 6.678 3.048 ( 4.011 2.315 4.811) 6.678 3.212 ( 1.700 -1.022 -2.247) 2.998 3.212 ( 1.700 1.022 -2.247) 2.998 3.287 ( 3.482 -1.789 -0.899) 4.017 3.287 ( 3.482 1.789 -0.899) 4.017 3.375 ( 2.172 -1.119 -0.262) 2.457 3.375 ( 2.172 1.119 -0.262) 2.457 5.219 ( 2.931 -1.395 0.381) 3.268 5.219 ( 2.931 1.395 0.381) 3.268 5.382 ( 0.325 -2.697 -0.433) 2.751 5.382 ( 0.325 2.697 -0.433) 2.751 5.600 ( 4.449 -1.325 -0.304) 4.652 5.600 ( 4.449 1.325 -0.304) 4.652 5.681 ( 8.452 -2.756 0.379) 8.898 5.681 ( 8.452 2.756 0.379) 8.898 5.794 ( 0.915 -1.730 -1.505) 2.469 5.794 ( 0.915 1.730 -1.505) 2.469 5.914 ( 0.485 -1.762 -3.198) 3.683 5.914 ( 0.485 1.762 -3.198) 3.683 6.093 ( 3.935 -2.429 1.163) 4.769 6.093 ( 3.935 2.429 1.163) 4.769 6.129 ( 6.234 -2.074 2.120) 6.904 6.129 ( 6.234 2.074 2.120) 6.904 6.288 ( 7.259 -4.575 -0.545) 8.598 6.288 ( 7.259 4.575 -0.545) 8.598 6.391 ( 6.298 -1.802 -0.117) 6.552 6.391 ( 6.298 1.802 -0.117) 6.552 7.035 ( 10.933 -0.492 5.816) 12.393 7.035 ( 10.933 0.492 5.816) 12.393 7.200 ( 6.336 -4.419 3.313) 8.406 7.200 ( 6.336 4.419 3.313) 8.406 7.516 ( 6.814 -1.582 -1.362) 7.127 7.516 ( 6.814 1.582 -1.362) 7.127 7.621 ( 3.684 -2.761 1.610) 4.877 7.621 ( 3.684 2.761 1.610) 4.877 7.835 ( 6.270 -2.561 0.740) 6.813 7.835 ( 6.270 2.561 0.740) 6.813 8.270 ( 5.034 -5.626 -8.271) 11.198 8.270 ( 5.034 5.626 -8.271) 11.198 8.473 ( 6.210 -5.285 3.029) 8.699 8.473 ( 6.210 5.285 3.029) 8.699 8.912 ( 5.138 -6.826 -6.013) 10.447 8.912 ( 5.138 6.826 -6.013) 10.447 ======================= Grid point 116 (65/84) ======================= q-point: ( 0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 0.026 -1.290 2.086) 2.453 1.293 ( 0.026 1.290 2.086) 2.453 1.516 ( -2.596 -0.378 2.909) 3.917 1.516 ( -2.596 0.378 2.909) 3.917 1.599 ( 4.847 -1.277 -2.461) 5.584 1.599 ( 4.847 1.277 -2.461) 5.584 1.771 ( 1.581 -1.757 -2.706) 3.593 1.771 ( 1.581 1.758 -2.706) 3.593 1.864 ( 1.967 -3.116 -2.541) 4.476 1.864 ( 1.967 3.116 -2.541) 4.476 1.940 ( -3.335 -3.506 -1.120) 4.967 1.940 ( -3.335 3.506 -1.120) 4.967 2.164 ( 1.867 -1.753 6.223) 6.730 2.164 ( 1.867 1.753 6.223) 6.730 2.352 ( 2.556 -3.616 0.655) 4.477 2.352 ( 2.556 3.616 0.654) 4.477 2.560 ( 0.469 -2.794 2.738) 3.940 2.560 ( 0.469 2.794 2.738) 3.940 2.629 ( -0.867 -1.966 0.619) 2.236 2.629 ( -0.867 1.966 0.619) 2.236 2.736 ( 1.275 -2.568 0.649) 2.940 2.736 ( 1.275 2.568 0.649) 2.940 2.807 ( 1.733 -1.083 0.638) 2.141 2.807 ( 1.733 1.083 0.638) 2.141 2.865 ( -0.451 -1.149 1.699) 2.100 2.865 ( -0.451 1.149 1.699) 2.100 3.006 ( -0.355 -2.071 -2.034) 2.925 3.006 ( -0.355 2.071 -2.034) 2.925 3.128 ( 2.582 -1.591 3.504) 4.634 3.128 ( 2.582 1.591 3.504) 4.634 3.244 ( 1.415 -1.311 -1.573) 2.489 3.244 ( 1.415 1.311 -1.573) 2.489 3.341 ( 1.752 -1.380 -0.425) 2.271 3.341 ( 1.752 1.380 -0.425) 2.271 3.413 ( 0.829 -0.709 -0.845) 1.380 3.413 ( 0.829 0.709 -0.845) 1.380 5.274 ( 2.385 -1.038 0.892) 2.749 5.274 ( 2.385 1.038 0.892) 2.749 5.371 ( -1.128 -2.583 -0.947) 2.973 5.371 ( -1.128 2.583 -0.947) 2.973 5.661 ( 1.801 -1.707 -0.247) 2.494 5.661 ( 1.801 1.707 -0.247) 2.494 5.772 ( 0.066 -2.801 -0.580) 2.861 5.772 ( 0.066 2.801 -0.580) 2.861 5.819 ( 2.543 -1.737 0.167) 3.084 5.819 ( 2.543 1.737 0.167) 3.084 5.909 ( -0.404 -1.768 -3.284) 3.752 5.909 ( -0.404 1.769 -3.284) 3.752 6.144 ( 1.382 -2.475 1.587) 3.249 6.144 ( 1.382 2.475 1.587) 3.249 6.211 ( 1.866 -3.046 -0.044) 3.572 6.211 ( 1.866 3.046 -0.044) 3.572 6.407 ( 3.349 -3.650 1.790) 5.268 6.407 ( 3.349 3.650 1.790) 5.268 6.502 ( 3.968 -1.068 -0.469) 4.136 6.502 ( 3.968 1.068 -0.469) 4.136 7.211 ( 5.448 -0.962 4.496) 7.129 7.211 ( 5.448 0.962 4.496) 7.129 7.275 ( 0.972 -4.012 2.925) 5.060 7.275 ( 0.972 4.012 2.925) 5.060 7.614 ( 2.272 -1.941 -0.314) 3.005 7.614 ( 2.272 1.941 -0.314) 3.005 7.671 ( 1.321 -2.035 3.993) 4.673 7.671 ( 1.321 2.035 3.993) 4.673 7.946 ( 4.225 -3.445 1.776) 5.734 7.946 ( 4.225 3.445 1.776) 5.734 8.334 ( 1.436 -3.939 -11.699) 12.427 8.334 ( 1.436 3.939 -11.699) 12.427 8.578 ( 3.416 -3.087 5.298) 7.019 8.578 ( 3.416 3.087 5.298) 7.019 8.972 ( 1.107 -3.644 -8.152) 8.998 8.972 ( 1.107 3.645 -8.152) 8.998 ======================= Grid point 118 (66/84) ======================= q-point: (-0.44 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.259 ( -3.467 -3.123 1.657) 4.952 1.259 ( -3.467 3.123 1.657) 4.952 1.465 ( -2.838 -1.504 2.851) 4.295 1.465 ( -2.838 1.504 2.851) 4.295 1.659 ( 1.271 -1.612 0.471) 2.106 1.659 ( 1.271 1.612 0.471) 2.106 1.775 ( -1.600 -1.664 -5.655) 6.108 1.775 ( -1.600 1.664 -5.655) 6.108 1.852 ( -0.988 -1.738 -0.776) 2.145 1.852 ( -0.988 1.738 -0.776) 2.145 1.938 ( 2.033 -1.094 -0.898) 2.478 1.938 ( 2.033 1.094 -0.898) 2.478 2.196 ( 0.324 -2.238 4.959) 5.450 2.196 ( 0.324 2.238 4.959) 5.450 2.360 ( -1.246 -2.390 0.136) 2.698 2.360 ( -1.246 2.390 0.136) 2.698 2.559 ( -1.423 -4.395 0.788) 4.687 2.559 ( -1.423 4.395 0.788) 4.687 2.607 ( -1.153 -0.980 2.592) 3.002 2.607 ( -1.153 0.980 2.592) 3.002 2.753 ( 0.003 -1.063 0.463) 1.159 2.753 ( 0.003 1.063 0.463) 1.159 2.833 ( -1.699 -3.441 3.524) 5.210 2.833 ( -1.699 3.441 3.524) 5.210 2.842 ( 0.920 -2.476 0.292) 2.658 2.842 ( 0.920 2.476 0.292) 2.658 2.980 ( -2.217 -1.630 -2.648) 3.819 2.980 ( -2.217 1.630 -2.648) 3.819 3.147 ( -0.557 -1.028 2.580) 2.833 3.147 ( -0.557 1.028 2.580) 2.833 3.256 ( -0.509 -1.427 -1.290) 1.990 3.256 ( -0.509 1.427 -1.290) 1.990 3.348 ( -1.325 -0.940 -0.231) 1.641 3.348 ( -1.325 0.940 -0.231) 1.641 3.398 ( -1.719 -1.033 -0.906) 2.201 3.398 ( -1.719 1.033 -0.906) 2.201 5.304 ( 0.022 -1.251 0.302) 1.287 5.304 ( 0.022 1.251 0.302) 1.287 5.347 ( -0.813 -2.597 -0.538) 2.774 5.347 ( -0.814 2.597 -0.538) 2.774 5.672 ( -0.773 -1.514 -0.450) 1.759 5.672 ( -0.773 1.515 -0.450) 1.759 5.753 ( -1.343 -2.732 0.324) 3.062 5.753 ( -1.343 2.733 0.324) 3.062 5.823 ( -2.174 -1.312 -0.291) 2.556 5.823 ( -2.174 1.312 -0.291) 2.556 5.902 ( -0.433 -1.806 -3.243) 3.737 5.902 ( -0.433 1.806 -3.243) 3.737 6.152 ( -0.938 -2.604 1.762) 3.281 6.152 ( -0.938 2.604 1.762) 3.281 6.210 ( -1.749 -3.105 -0.534) 3.604 6.210 ( -1.749 3.105 -0.534) 3.604 6.407 ( -3.322 -3.211 1.476) 4.850 6.407 ( -3.322 3.211 1.476) 4.850 6.520 ( -2.515 -1.872 -0.617) 3.195 6.520 ( -2.515 1.872 -0.617) 3.195 7.204 ( -5.787 -1.965 4.236) 7.436 7.204 ( -5.787 1.965 4.236) 7.436 7.284 ( -0.865 -3.302 3.491) 4.882 7.284 ( -0.865 3.302 3.491) 4.882 7.592 ( -4.080 -1.616 2.995) 5.312 7.592 ( -4.080 1.616 2.995) 5.312 7.672 ( -1.858 -2.394 -0.208) 3.038 7.672 ( -1.858 2.394 -0.208) 3.038 7.990 ( -0.307 -2.904 4.105) 5.038 7.990 ( -0.307 2.904 4.105) 5.038 8.297 ( -3.909 -1.091 -13.404) 14.005 8.297 ( -3.909 1.091 -13.404) 14.005 8.597 ( -2.193 -1.853 6.230) 6.860 8.597 ( -2.193 1.853 6.230) 6.860 8.946 ( -2.846 -1.453 -8.463) 9.046 8.946 ( -2.846 1.453 -8.463) 9.046 ======================= Grid point 120 (67/84) ======================= q-point: (-0.33 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.160 ( -6.539 -5.569 2.014) 8.822 1.160 ( -6.539 5.569 2.014) 8.822 1.398 ( -4.474 -1.824 2.626) 5.499 1.398 ( -4.474 1.824 2.626) 5.499 1.644 ( -2.809 -0.627 1.402) 3.202 1.644 ( -2.809 0.627 1.402) 3.202 1.705 ( -4.021 -3.061 -3.774) 6.307 1.705 ( -4.021 3.061 -3.774) 6.307 1.887 ( 3.218 -2.177 -1.636) 4.215 1.887 ( 3.218 2.177 -1.636) 4.215 1.944 ( -1.541 -1.338 0.769) 2.182 1.944 ( -1.541 1.338 0.769) 2.182 2.155 ( -5.076 -2.065 -0.011) 5.480 2.155 ( -5.076 2.065 -0.011) 5.480 2.295 ( -6.508 -2.813 1.443) 7.235 2.295 ( -6.508 2.813 1.443) 7.235 2.506 ( -3.011 -2.430 2.111) 4.408 2.506 ( -3.011 2.430 2.111) 4.408 2.603 ( 0.908 -2.668 1.891) 3.394 2.603 ( 0.908 2.668 1.891) 3.394 2.722 ( -2.736 -2.593 -1.255) 3.973 2.722 ( -2.736 2.593 -1.255) 3.973 2.786 ( -1.780 -1.351 2.855) 3.626 2.786 ( -1.780 1.351 2.855) 3.626 2.879 ( 0.432 -2.716 1.577) 3.170 2.879 ( 0.432 2.716 1.577) 3.170 2.941 ( -0.277 -1.581 -0.616) 1.719 2.941 ( -0.277 1.581 -0.616) 1.719 3.124 ( -1.819 -1.404 2.023) 3.062 3.124 ( -1.819 1.404 2.023) 3.062 3.211 ( -3.675 -2.726 -1.722) 4.889 3.211 ( -3.675 2.726 -1.722) 4.889 3.290 ( -3.531 -0.974 -0.807) 3.751 3.290 ( -3.531 0.974 -0.808) 3.751 3.374 ( -0.329 -0.624 -0.575) 0.910 3.374 ( -0.329 0.624 -0.575) 0.910 5.272 ( -2.610 -1.859 -1.949) 3.750 5.272 ( -2.610 1.859 -1.949) 3.750 5.338 ( -0.806 -2.167 1.540) 2.778 5.338 ( -0.806 2.167 1.540) 2.778 5.618 ( -5.007 -0.496 -0.860) 5.104 5.618 ( -5.007 0.496 -0.860) 5.104 5.705 ( -5.071 -0.875 0.463) 5.167 5.705 ( -5.071 0.875 0.463) 5.167 5.769 ( -1.736 -0.663 -0.195) 1.868 5.769 ( -1.736 0.663 -0.195) 1.868 5.865 ( -3.452 -1.780 -3.043) 4.934 5.865 ( -3.452 1.780 -3.043) 4.934 6.090 ( -5.478 -2.051 1.048) 5.942 6.090 ( -5.478 2.051 1.048) 5.942 6.156 ( -3.617 -2.582 0.686) 4.497 6.156 ( -3.617 2.582 0.686) 4.497 6.297 ( -6.760 -2.741 0.954) 7.357 6.297 ( -6.760 2.741 0.954) 7.357 6.407 ( -7.712 -2.829 -1.759) 8.401 6.407 ( -7.712 2.829 -1.759) 8.401 7.043 ( -9.899 -1.598 5.316) 11.349 7.043 ( -9.899 1.598 5.316) 11.349 7.213 ( -6.450 -3.173 4.298) 8.376 7.213 ( -6.450 3.173 4.298) 8.376 7.476 ( -7.287 -1.276 1.649) 7.580 7.476 ( -7.287 1.276 1.649) 7.580 7.598 ( -5.107 -2.910 -2.873) 6.543 7.598 ( -5.107 2.910 -2.873) 6.543 7.937 ( -4.949 -1.010 4.863) 7.011 7.937 ( -4.949 1.010 4.863) 7.011 8.189 ( -5.066 -2.869 -11.809) 13.167 8.189 ( -5.066 2.869 -11.809) 13.167 8.510 ( -6.352 -4.602 4.619) 9.103 8.510 ( -6.352 4.602 4.619) 9.103 8.856 ( -5.284 -4.675 -5.877) 9.182 8.856 ( -5.284 4.675 -5.877) 9.182 ======================= Grid point 122 (68/84) ======================= q-point: (-0.22 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.013 ( -7.916 -8.778 3.277) 12.266 1.013 ( -7.916 8.778 3.277) 12.266 1.273 ( -8.725 -4.161 3.857) 10.408 1.273 ( -8.725 4.161 3.857) 10.408 1.549 ( -7.762 -1.029 -2.378) 8.183 1.549 ( -7.762 1.029 -2.378) 8.183 1.629 ( -1.934 -4.616 -2.096) 5.426 1.629 ( -1.934 4.616 -2.096) 5.426 1.866 ( -5.638 -4.080 4.523) 8.300 1.866 ( -5.638 4.080 4.523) 8.300 1.937 ( -2.436 -3.379 -4.408) 6.065 1.937 ( -2.436 3.379 -4.408) 6.065 2.029 ( -3.281 -2.719 0.161) 4.264 2.029 ( -3.281 2.719 0.161) 4.264 2.143 ( -5.933 -4.787 2.048) 7.894 2.143 ( -5.933 4.787 2.048) 7.894 2.449 ( -3.346 -1.417 2.280) 4.290 2.449 ( -3.346 1.417 2.280) 4.290 2.617 ( -1.290 -0.717 2.401) 2.819 2.617 ( -1.290 0.717 2.401) 2.819 2.689 ( 0.498 -4.505 -0.771) 4.598 2.689 ( 0.498 4.505 -0.771) 4.598 2.768 ( -0.339 -1.893 1.262) 2.300 2.768 ( -0.339 1.893 1.262) 2.300 2.857 ( -1.618 -2.476 1.104) 3.158 2.857 ( -1.618 2.476 1.104) 3.158 2.935 ( -2.391 -1.300 1.022) 2.907 2.935 ( -2.391 1.300 1.022) 2.907 3.074 ( -3.220 -1.044 0.604) 3.439 3.074 ( -3.220 1.044 0.604) 3.439 3.156 ( -0.483 -1.219 -1.276) 1.830 3.156 ( -0.483 1.219 -1.276) 1.830 3.242 ( -0.412 -1.455 -1.185) 1.921 3.242 ( -0.412 1.455 -1.185) 1.921 3.394 ( 2.436 -0.376 -0.271) 2.480 3.394 ( 2.436 0.376 -0.271) 2.480 5.207 ( -3.801 -1.917 -2.114) 4.753 5.207 ( -3.801 1.917 -2.114) 4.753 5.297 ( -4.111 -1.961 1.659) 4.848 5.297 ( -4.111 1.961 1.659) 4.848 5.449 ( -11.999 -1.467 0.457) 12.097 5.449 ( -11.999 1.467 0.457) 12.097 5.533 ( -12.220 -0.870 -3.096) 12.636 5.533 ( -12.220 0.870 -3.096) 12.636 5.732 ( -4.073 -1.247 0.219) 4.265 5.732 ( -4.073 1.247 0.219) 4.265 5.783 ( -1.500 -1.747 0.844) 2.452 5.783 ( -1.500 1.747 0.844) 2.452 5.986 ( -4.260 -2.565 0.059) 4.973 5.986 ( -4.260 2.565 0.059) 4.973 6.046 ( -6.203 -2.666 0.272) 6.757 6.046 ( -6.203 2.666 0.272) 6.757 6.191 ( -3.614 -2.529 0.732) 4.471 6.191 ( -3.614 2.529 0.732) 4.471 6.270 ( -5.196 -2.746 -3.028) 6.611 6.270 ( -5.196 2.746 -3.028) 6.611 6.848 ( -9.521 -2.879 6.358) 11.805 6.848 ( -9.521 2.880 6.358) 11.805 7.049 ( -9.715 -3.632 4.161) 11.176 7.049 ( -9.715 3.632 4.161) 11.176 7.327 ( -7.212 -1.182 -0.904) 7.364 7.327 ( -7.212 1.182 -0.904) 7.364 7.476 ( -6.573 -2.208 -4.610) 8.326 7.476 ( -6.573 2.208 -4.610) 8.326 7.835 ( -4.852 -1.621 4.853) 7.051 7.835 ( -4.852 1.621 4.853) 7.051 8.106 ( -2.145 -5.289 -9.139) 10.775 8.106 ( -2.145 5.289 -9.139) 10.775 8.383 ( -5.959 -4.681 3.176) 8.216 8.383 ( -5.959 4.681 3.176) 8.216 8.747 ( -4.810 -4.996 -2.773) 7.468 8.747 ( -4.810 4.996 -2.773) 7.468 ======================= Grid point 124 (69/84) ======================= q-point: (-0.11 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( -5.393 -10.828 6.920) 13.936 0.877 ( -5.393 10.828 6.920) 13.936 1.069 ( -10.261 -7.870 6.467) 14.459 1.069 ( -10.261 7.870 6.467) 14.459 1.389 ( -6.447 -1.185 -6.421) 9.175 1.389 ( -6.447 1.185 -6.421) 9.175 1.561 ( -6.777 -4.087 -5.326) 9.540 1.561 ( -6.777 4.087 -5.326) 9.540 1.770 ( -0.688 -6.324 1.523) 6.541 1.770 ( -0.688 6.324 1.523) 6.541 1.845 ( -3.540 -4.051 3.193) 6.257 1.845 ( -3.540 4.051 3.193) 6.257 2.013 ( -1.025 -3.797 3.033) 4.967 2.013 ( -1.025 3.797 3.033) 4.967 2.139 ( 3.688 -2.589 0.088) 4.507 2.139 ( 3.688 2.589 0.088) 4.507 2.382 ( -2.389 -3.412 1.100) 4.308 2.382 ( -2.389 3.412 1.100) 4.308 2.566 ( -3.481 -1.999 1.872) 4.429 2.566 ( -3.481 1.999 1.872) 4.429 2.683 ( -2.792 -4.078 -0.418) 4.960 2.683 ( -2.792 4.078 -0.418) 4.960 2.767 ( 0.042 -1.701 0.894) 1.922 2.767 ( 0.042 1.701 0.894) 1.922 2.833 ( -1.051 -3.413 0.006) 3.571 2.833 ( -1.051 3.413 0.007) 3.571 2.875 ( -1.490 -2.186 2.462) 3.614 2.875 ( -1.490 2.186 2.462) 3.614 3.030 ( -0.534 -2.512 -1.716) 3.088 3.030 ( -0.534 2.512 -1.716) 3.088 3.159 ( 0.180 -1.649 0.309) 1.688 3.159 ( 0.180 1.649 0.309) 1.688 3.290 ( 4.441 -1.647 0.285) 4.745 3.290 ( 4.441 1.647 0.285) 4.745 3.454 ( 2.934 -0.855 -0.459) 3.091 3.454 ( 2.934 0.855 -0.459) 3.091 5.088 ( -11.960 -0.692 1.058) 12.026 5.088 ( -11.960 0.692 1.058) 12.026 5.124 ( -8.183 -1.722 -1.403) 8.479 5.124 ( -8.183 1.722 -1.403) 8.479 5.243 ( -6.934 -1.614 -1.307) 7.238 5.243 ( -6.934 1.614 -1.307) 7.238 5.309 ( -6.669 -0.746 -0.189) 6.714 5.309 ( -6.669 0.746 -0.189) 6.714 5.677 ( -0.907 -0.078 1.183) 1.493 5.677 ( -0.907 0.078 1.182) 1.493 5.764 ( -1.712 -1.248 2.025) 2.931 5.764 ( -1.712 1.248 2.025) 2.931 5.925 ( -0.753 -1.536 -0.119) 1.715 5.925 ( -0.753 1.536 -0.119) 1.715 5.991 ( 0.099 -1.269 -1.672) 2.101 5.991 ( 0.099 1.269 -1.672) 2.101 6.132 ( -2.661 -1.831 -1.317) 3.488 6.132 ( -2.661 1.831 -1.317) 3.488 6.184 ( -3.711 -1.128 -2.065) 4.394 6.184 ( -3.711 1.128 -2.065) 4.394 6.692 ( -6.241 -3.879 7.418) 10.442 6.692 ( -6.241 3.879 7.418) 10.442 6.872 ( -7.399 -4.983 3.389) 9.543 6.872 ( -7.399 4.983 3.389) 9.543 7.208 ( -4.102 -1.931 -2.985) 5.428 7.208 ( -4.102 1.931 -2.985) 5.428 7.355 ( -4.425 -1.488 -5.524) 7.233 7.355 ( -4.425 1.488 -5.524) 7.233 7.766 ( -2.507 -2.181 4.173) 5.334 7.766 ( -2.507 2.181 4.173) 5.334 8.094 ( 1.130 -5.267 -7.132) 8.938 8.094 ( 1.130 5.267 -7.132) 8.938 8.304 ( -1.761 -3.583 1.899) 4.421 8.304 ( -1.761 3.583 1.899) 4.421 8.682 ( -1.189 -3.938 -1.298) 4.314 8.682 ( -1.189 3.938 -1.298) 4.314 ======================= Grid point 135 (70/84) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 0.950 0.000 -12.424) 12.460 1.048 ( -0.950 0.000 12.424) 12.460 1.253 ( 0.470 0.000 -9.133) 9.145 1.253 ( -0.470 0.000 9.133) 9.145 1.363 ( -0.706 0.000 -0.276) 0.757 1.363 ( 0.706 0.000 0.276) 0.757 1.430 ( 0.839 0.000 -7.076) 7.126 1.430 ( -0.839 0.000 7.076) 7.126 1.613 ( 3.179 0.000 -2.259) 3.900 1.613 ( -3.179 0.000 2.259) 3.900 1.652 ( -3.322 0.000 -1.296) 3.566 1.652 ( 3.322 0.000 1.296) 3.566 1.925 ( -2.759 0.000 -8.537) 8.972 1.925 ( 2.759 0.000 8.537) 8.972 2.284 ( -2.155 0.000 -0.979) 2.367 2.284 ( 2.155 0.000 0.979) 2.367 2.391 ( -3.176 0.000 -0.797) 3.274 2.391 ( 3.176 0.000 0.797) 3.274 2.548 ( 0.474 0.000 -5.419) 5.439 2.548 ( -0.474 0.000 5.419) 5.439 2.621 ( -1.803 0.000 -0.265) 1.823 2.621 ( 1.803 0.000 0.265) 1.823 2.729 ( 1.407 0.000 -0.575) 1.520 2.729 ( -1.407 0.000 0.575) 1.520 2.821 ( 0.431 0.000 -2.550) 2.587 2.821 ( -0.431 0.000 2.550) 2.587 2.928 ( -0.464 0.000 -1.347) 1.424 2.928 ( 0.464 0.000 1.347) 1.424 3.013 ( 0.436 0.000 -1.350) 1.418 3.013 ( -0.436 0.000 1.350) 1.418 3.209 ( -0.267 0.000 -3.563) 3.573 3.209 ( 0.267 0.000 3.563) 3.573 3.348 ( -0.835 0.000 -1.341) 1.580 3.348 ( 0.835 0.000 1.341) 1.580 3.505 ( 0.763 0.000 -0.819) 1.120 3.505 ( -0.763 0.000 0.819) 1.120 4.945 ( 0.117 0.000 -0.647) 0.657 4.945 ( -0.117 0.000 0.647) 0.657 5.011 ( 1.138 0.000 -3.060) 3.265 5.011 ( -1.138 0.000 3.060) 3.265 5.210 ( -1.456 0.000 0.022) 1.456 5.210 ( 1.456 0.000 -0.022) 1.456 5.234 ( -3.936 0.000 -1.397) 4.176 5.234 ( 3.936 0.000 1.397) 4.176 5.652 ( -0.782 0.000 -0.794) 1.115 5.652 ( 0.782 0.000 0.794) 1.115 5.736 ( -0.569 0.000 -0.925) 1.086 5.736 ( 0.569 0.000 0.925) 1.086 5.901 ( -2.496 0.000 -1.105) 2.730 5.901 ( 2.496 0.000 1.105) 2.730 6.006 ( -2.523 0.000 -1.105) 2.755 6.006 ( 2.523 0.000 1.105) 2.755 6.079 ( -0.999 0.000 -0.269) 1.035 6.079 ( 0.999 0.000 0.269) 1.035 6.158 ( -0.895 0.000 -4.901) 4.982 6.158 ( 0.895 0.000 4.901) 4.982 6.633 ( 0.201 0.000 -3.404) 3.410 6.633 ( -0.201 0.000 3.404) 3.410 6.979 ( 1.691 0.000 -10.477) 10.612 6.979 ( -1.691 0.000 10.477) 10.612 7.029 ( 1.408 0.000 -3.886) 4.133 7.029 ( -1.408 0.000 3.886) 4.133 7.200 ( -0.543 0.000 -0.714) 0.897 7.200 ( 0.543 0.000 0.714) 0.897 7.738 ( 0.119 0.000 -5.474) 5.475 7.738 ( -0.119 0.000 5.474) 5.475 8.052 ( 2.542 0.000 -11.741) 12.013 8.052 ( -2.542 0.000 11.741) 12.013 8.289 ( -0.406 0.000 -5.471) 5.487 8.289 ( 0.406 0.000 5.471) 5.487 8.739 ( 1.463 0.000 -5.198) 5.400 8.739 ( -1.463 0.000 5.198) 5.400 ======================= Grid point 137 (71/84) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.112 ( 5.431 0.000 7.088) 8.929 1.145 ( 8.528 0.000 -13.637) 16.084 1.249 ( 0.485 0.000 -6.646) 6.664 1.255 ( 0.186 0.000 7.889) 7.891 1.416 ( 3.118 0.000 -5.512) 6.333 1.437 ( 4.019 0.000 1.625) 4.335 1.504 ( 9.213 0.000 4.625) 10.309 1.522 ( 7.402 0.000 -1.699) 7.595 1.582 ( 2.502 0.000 1.753) 3.055 1.626 ( 6.828 0.000 -1.375) 6.965 1.738 ( 5.243 0.000 1.998) 5.611 1.778 ( 6.384 0.000 -0.918) 6.450 1.940 ( 5.650 0.000 -0.605) 5.683 2.033 ( 7.150 0.000 5.829) 9.225 2.164 ( -6.294 0.000 -3.118) 7.024 2.254 ( -2.478 0.000 -2.261) 3.354 2.385 ( 0.304 0.000 -0.614) 0.685 2.457 ( -1.114 0.000 -1.240) 1.667 2.532 ( -1.415 0.000 5.233) 5.421 2.542 ( 0.801 0.000 -3.581) 3.670 2.591 ( 0.125 0.000 0.818) 0.828 2.654 ( 2.120 0.000 0.801) 2.266 2.770 ( 5.105 0.000 0.256) 5.111 2.811 ( 5.432 0.000 -1.349) 5.597 2.877 ( 3.804 0.000 2.075) 4.333 2.889 ( 4.782 0.000 -0.898) 4.865 2.917 ( 0.533 0.000 -0.156) 0.556 2.931 ( 0.424 0.000 1.691) 1.743 2.994 ( -1.058 0.000 1.399) 1.754 3.014 ( 0.229 0.000 -1.030) 1.055 3.189 ( -1.434 0.000 -4.102) 4.345 3.213 ( 0.011 0.000 3.109) 3.109 3.286 ( -4.134 0.000 -0.976) 4.247 3.309 ( -3.877 0.000 1.348) 4.105 3.442 ( -4.781 0.000 0.794) 4.847 3.467 ( -3.826 0.000 -1.446) 4.090 5.082 ( 8.253 0.000 0.063) 8.254 5.085 ( 7.518 0.000 0.907) 7.573 5.125 ( 11.623 0.000 -1.956) 11.786 5.128 ( 15.239 0.000 2.094) 15.383 5.200 ( 1.861 0.000 -0.784) 2.019 5.263 ( 6.798 0.000 0.222) 6.802 5.276 ( 4.394 0.000 -0.032) 4.394 5.366 ( 8.843 0.000 -2.853) 9.292 5.660 ( 1.915 0.000 0.073) 1.917 5.671 ( 1.068 0.000 0.551) 1.201 5.729 ( 0.058 0.000 -1.969) 1.970 5.782 ( 4.319 0.000 0.085) 4.320 5.873 ( 0.534 0.000 -2.210) 2.274 5.905 ( -2.856 0.000 0.396) 2.883 5.978 ( 3.040 0.000 0.401) 3.067 6.002 ( 0.701 0.000 0.636) 0.947 6.155 ( 1.254 0.000 -4.449) 4.622 6.162 ( 4.348 0.000 0.450) 4.371 6.164 ( 5.411 0.000 -0.162) 5.414 6.192 ( 1.940 0.000 4.952) 5.319 6.686 ( 5.318 0.000 3.170) 6.191 6.698 ( 6.824 0.000 -3.773) 7.797 6.993 ( 2.668 0.000 9.564) 9.929 7.057 ( 6.888 0.000 -9.848) 12.018 7.083 ( 5.907 0.000 3.941) 7.101 7.119 ( 7.297 0.000 -5.450) 9.108 7.250 ( 5.151 0.000 -0.184) 5.155 7.272 ( 6.252 0.000 0.972) 6.327 7.756 ( 2.151 0.000 -5.634) 6.031 7.757 ( 1.633 0.000 6.506) 6.708 8.003 ( -2.618 0.000 12.397) 12.670 8.080 ( 1.637 0.000 -12.396) 12.504 8.306 ( 2.867 0.000 -6.584) 7.181 8.322 ( 2.495 0.000 5.721) 6.242 8.713 ( -0.801 0.000 7.464) 7.507 8.768 ( 2.695 0.000 -8.017) 8.458 ======================= Grid point 138 (72/84) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.232 ( 5.549 0.000 3.444) 6.531 1.278 ( 2.552 0.000 2.924) 3.881 1.301 ( 6.831 0.000 -10.479) 12.509 1.302 ( 5.770 0.000 -4.898) 7.568 1.476 ( 4.000 0.000 -4.539) 6.050 1.542 ( 6.070 0.000 5.957) 8.505 1.625 ( 4.557 0.000 3.263) 5.605 1.662 ( 5.354 0.000 2.922) 6.099 1.765 ( 12.587 0.000 0.277) 12.590 1.771 ( -0.312 0.000 1.114) 1.157 1.909 ( 7.640 0.000 -2.529) 8.048 1.916 ( 14.292 0.000 -2.079) 14.442 2.052 ( -2.235 0.000 -3.861) 4.461 2.095 ( 6.324 0.000 3.445) 7.202 2.220 ( 8.085 0.000 3.723) 8.901 2.232 ( 1.585 0.000 -3.464) 3.810 2.385 ( -2.792 0.000 -0.891) 2.931 2.398 ( 2.019 0.000 -0.609) 2.109 2.493 ( -2.580 0.000 2.645) 3.695 2.570 ( 2.135 0.000 -2.858) 3.568 2.617 ( 1.181 0.000 0.918) 1.496 2.690 ( 0.794 0.000 0.875) 1.182 2.854 ( -1.012 0.000 -3.714) 3.849 2.890 ( 4.632 0.000 0.183) 4.636 2.923 ( 2.239 0.000 3.694) 4.320 2.957 ( 3.320 0.000 1.833) 3.793 2.988 ( 2.514 0.000 4.796) 5.415 2.995 ( 2.853 0.000 2.714) 3.938 3.004 ( 4.072 0.000 -1.247) 4.259 3.012 ( 0.148 0.000 -2.659) 2.663 3.163 ( -0.003 0.000 -4.517) 4.517 3.194 ( -1.816 0.000 2.413) 3.020 3.239 ( 0.420 0.000 -0.421) 0.595 3.275 ( 1.135 0.000 0.403) 1.204 3.352 ( -3.453 0.000 1.250) 3.672 3.393 ( -2.396 0.000 -2.173) 3.235 5.173 ( 2.736 0.000 0.418) 2.768 5.181 ( 3.139 0.000 0.666) 3.209 5.280 ( 4.804 0.000 1.529) 5.042 5.333 ( 3.252 0.000 -0.340) 3.269 5.417 ( 10.853 0.000 -1.526) 10.960 5.453 ( 13.132 0.000 2.981) 13.466 5.486 ( 11.318 0.000 -0.174) 11.319 5.556 ( 10.007 0.000 -2.510) 10.317 5.714 ( 2.431 0.000 0.134) 2.435 5.736 ( 6.447 0.000 0.486) 6.465 5.764 ( 4.458 0.000 -0.679) 4.510 5.838 ( 1.515 0.000 -2.474) 2.901 5.936 ( 6.355 0.000 3.086) 7.065 5.940 ( 6.006 0.000 -3.190) 6.800 6.061 ( 5.039 0.000 -0.009) 5.039 6.067 ( 5.487 0.000 1.235) 5.624 6.197 ( 3.768 0.000 -5.080) 6.325 6.230 ( 3.520 0.000 0.226) 3.528 6.241 ( 2.692 0.000 5.266) 5.914 6.268 ( 5.221 0.000 -1.098) 5.335 6.848 ( 10.366 0.000 3.177) 10.842 6.886 ( 11.335 0.000 -1.640) 11.453 7.104 ( 7.445 0.000 7.024) 10.235 7.208 ( 8.078 0.000 -10.251) 13.052 7.233 ( 8.155 0.000 3.754) 8.977 7.289 ( 9.659 0.000 -7.170) 12.029 7.379 ( 7.192 0.000 1.623) 7.373 7.425 ( 8.255 0.000 1.241) 8.348 7.817 ( 4.442 0.000 -7.068) 8.347 7.818 ( 4.037 0.000 8.604) 9.505 7.992 ( 0.689 0.000 13.979) 13.996 8.118 ( 3.260 0.000 -13.010) 13.412 8.400 ( 7.161 0.000 -8.222) 10.903 8.402 ( 5.234 0.000 7.477) 9.127 8.743 ( 2.927 0.000 10.028) 10.446 8.840 ( 4.717 0.000 -11.300) 12.245 ======================= Grid point 139 (73/84) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.338 ( 3.240 0.000 2.433) 4.052 1.346 ( 5.828 0.000 1.268) 5.964 1.427 ( 6.401 0.000 -8.766) 10.854 1.443 ( 7.699 0.000 -2.586) 8.122 1.567 ( 5.009 0.000 -4.154) 6.507 1.660 ( 4.662 0.000 6.211) 7.766 1.708 ( 2.558 0.000 3.779) 4.563 1.723 ( -2.349 0.000 0.178) 2.356 1.731 ( 1.626 0.000 -0.596) 1.732 1.918 ( 1.834 0.000 -0.016) 1.834 1.965 ( -2.747 0.000 2.008) 3.403 2.024 ( -0.550 0.000 -2.283) 2.348 2.131 ( 1.992 0.000 3.212) 3.779 2.188 ( 7.373 0.000 -3.575) 8.194 2.297 ( 0.218 0.000 -0.100) 0.240 2.300 ( 3.480 0.000 -1.847) 3.940 2.442 ( 6.635 0.000 2.297) 7.022 2.463 ( 0.071 0.000 3.830) 3.831 2.497 ( 6.564 0.000 -1.958) 6.850 2.598 ( 0.615 0.000 -3.401) 3.457 2.642 ( 1.263 0.000 1.977) 2.346 2.698 ( 0.849 0.000 0.765) 1.143 2.838 ( 0.856 0.000 -2.732) 2.864 2.938 ( 0.570 0.000 2.048) 2.125 2.954 ( -0.220 0.000 -0.663) 0.699 2.961 ( 1.691 0.000 2.999) 3.443 3.019 ( 2.815 0.000 -3.507) 4.497 3.042 ( 0.647 0.000 2.016) 2.117 3.067 ( 1.404 0.000 -3.545) 3.813 3.081 ( 3.006 0.000 5.803) 6.535 3.183 ( 1.633 0.000 -3.388) 3.761 3.213 ( 2.765 0.000 4.257) 5.076 3.273 ( 1.638 0.000 -1.114) 1.981 3.277 ( -0.287 0.000 0.061) 0.293 3.364 ( 3.716 0.000 -0.462) 3.744 3.396 ( 2.611 0.000 -1.310) 2.921 5.220 ( 1.905 0.000 1.060) 2.180 5.226 ( 1.597 0.000 0.334) 1.632 5.353 ( 2.216 0.000 2.492) 3.335 5.368 ( 0.975 0.000 -1.539) 1.822 5.560 ( 4.542 0.000 -0.153) 4.544 5.597 ( 2.707 0.000 -0.962) 2.873 5.672 ( 8.356 0.000 1.898) 8.568 5.711 ( 4.675 0.000 -1.398) 4.880 5.755 ( 2.905 0.000 -1.236) 3.157 5.794 ( 0.577 0.000 -0.218) 0.617 5.872 ( 4.227 0.000 0.703) 4.285 5.912 ( 2.307 0.000 -1.423) 2.710 6.049 ( 4.317 0.000 -1.027) 4.438 6.093 ( 4.511 0.000 0.109) 4.512 6.182 ( 7.495 0.000 2.682) 7.961 6.184 ( 6.154 0.000 -0.812) 6.208 6.296 ( 5.781 0.000 -4.740) 7.476 6.308 ( 4.177 0.000 5.662) 7.035 6.355 ( 8.137 0.000 3.054) 8.692 6.393 ( 7.694 0.000 -3.249) 8.352 7.072 ( 10.902 0.000 1.486) 11.002 7.107 ( 10.173 0.000 2.964) 10.596 7.257 ( 6.078 0.000 3.950) 7.249 7.331 ( 4.595 0.000 -9.273) 10.349 7.400 ( 8.264 0.000 1.695) 8.436 7.464 ( 7.894 0.000 -9.302) 12.200 7.522 ( 6.667 0.000 4.529) 8.060 7.573 ( 6.018 0.000 1.406) 6.180 7.914 ( 5.636 0.000 -9.763) 11.273 7.935 ( 6.799 0.000 11.072) 12.993 8.035 ( 1.875 0.000 14.727) 14.846 8.174 ( 2.677 0.000 -13.159) 13.428 8.546 ( 8.409 0.000 10.391) 13.367 8.566 ( 9.625 0.000 -9.790) 13.729 8.816 ( 2.653 0.000 10.958) 11.274 8.905 ( 1.912 0.000 -13.341) 13.477 ======================= Grid point 140 (74/84) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.401 ( 2.693 0.000 1.798) 3.238 1.428 ( 1.133 0.000 -1.545) 1.916 1.541 ( 5.371 0.000 -3.988) 6.690 1.577 ( 4.664 0.000 -1.977) 5.066 1.659 ( 4.714 0.000 -1.305) 4.891 1.666 ( -1.796 0.000 3.487) 3.922 1.697 ( -1.830 0.000 1.659) 2.470 1.739 ( -1.264 0.000 -0.115) 1.269 1.780 ( 4.317 0.000 1.703) 4.641 1.899 ( -6.096 0.000 -5.910) 8.490 1.916 ( -1.925 0.000 2.749) 3.356 1.928 ( -1.404 0.000 2.588) 2.944 2.195 ( 1.729 0.000 3.151) 3.594 2.211 ( -0.843 0.000 -1.909) 2.087 2.320 ( 0.570 0.000 -1.934) 2.016 2.324 ( -0.431 0.000 0.208) 0.479 2.483 ( 1.257 0.000 4.345) 4.523 2.505 ( -0.231 0.000 -2.928) 2.937 2.606 ( 4.189 0.000 -3.384) 5.385 2.645 ( 0.622 0.000 1.261) 1.406 2.670 ( 3.879 0.000 2.865) 4.823 2.719 ( 0.019 0.000 -0.439) 0.439 2.869 ( 1.918 0.000 -1.276) 2.303 2.916 ( -2.568 0.000 -0.047) 2.568 2.988 ( 2.708 0.000 -1.380) 3.039 3.001 ( 0.922 0.000 2.342) 2.517 3.055 ( 1.094 0.000 1.069) 1.530 3.072 ( -0.174 0.000 -2.071) 2.078 3.083 ( 2.958 0.000 -2.241) 3.711 3.114 ( -0.165 0.000 4.739) 4.742 3.207 ( 1.044 0.000 -3.043) 3.217 3.223 ( -0.842 0.000 2.754) 2.880 3.296 ( 0.978 0.000 -1.639) 1.908 3.302 ( 0.806 0.000 0.680) 1.054 3.433 ( 2.463 0.000 -0.524) 2.518 3.445 ( 1.292 0.000 0.039) 1.293 5.247 ( 0.707 0.000 1.008) 1.231 5.248 ( 0.608 0.000 -0.397) 0.726 5.377 ( 0.237 0.000 2.919) 2.929 5.377 ( 0.278 0.000 -2.580) 2.594 5.622 ( 1.756 0.000 1.097) 2.071 5.632 ( 0.796 0.000 -1.484) 1.684 5.752 ( 0.922 0.000 0.492) 1.046 5.759 ( 0.689 0.000 -0.927) 1.155 5.825 ( 2.579 0.000 -2.473) 3.573 5.826 ( 2.138 0.000 2.218) 3.081 5.915 ( 0.704 0.000 0.528) 0.880 5.924 ( -0.298 0.000 -0.436) 0.528 6.107 ( 1.663 0.000 0.225) 1.678 6.122 ( 0.123 0.000 -0.710) 0.720 6.268 ( 2.371 0.000 -1.674) 2.902 6.276 ( 1.561 0.000 1.724) 2.326 6.387 ( 3.060 0.000 -4.655) 5.571 6.393 ( 2.281 0.000 5.842) 6.272 6.503 ( 4.871 0.000 4.149) 6.399 6.519 ( 3.661 0.000 -4.025) 5.441 7.245 ( 5.837 0.000 -1.279) 5.975 7.267 ( 4.524 0.000 5.220) 6.908 7.330 ( 1.642 0.000 3.815) 4.153 7.367 ( -0.369 0.000 -7.771) 7.780 7.536 ( 4.385 0.000 1.628) 4.678 7.562 ( 2.145 0.000 -6.712) 7.047 7.634 ( 3.613 0.000 5.059) 6.216 7.654 ( 1.848 0.000 -1.011) 2.107 8.011 ( 4.480 0.000 -12.756) 13.520 8.054 ( -0.135 0.000 13.670) 13.670 8.088 ( 5.463 0.000 13.292) 14.371 8.178 ( -1.679 0.000 -13.118) 13.225 8.730 ( 8.285 0.000 12.973) 15.393 8.737 ( 7.502 0.000 -10.771) 13.126 8.834 ( -1.995 0.000 11.157) 11.334 8.876 ( -3.927 0.000 -14.029) 14.568 ======================= Grid point 145 (75/84) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 2.543 0.170 -10.196) 10.510 1.051 ( -2.543 0.170 10.196) 10.510 1.190 ( -1.927 -4.411 -5.088) 7.005 1.190 ( 1.927 -4.411 5.088) 7.005 1.255 ( -2.822 -7.743 -5.061) 9.671 1.255 ( 2.822 -7.743 5.061) 9.671 1.313 ( -1.360 -5.081 -2.954) 6.033 1.313 ( 1.360 -5.081 2.954) 6.033 1.683 ( 1.364 5.112 -1.762) 5.576 1.683 ( -1.364 5.112 1.762) 5.576 1.825 ( -3.190 9.911 0.734) 10.438 1.825 ( 3.190 9.911 -0.734) 10.438 1.986 ( -1.619 3.396 -6.315) 7.350 1.986 ( 1.619 3.396 6.315) 7.350 2.290 ( -1.295 0.312 -2.830) 3.128 2.290 ( 1.295 0.312 2.830) 3.128 2.328 ( -6.522 -3.688 -3.929) 8.460 2.328 ( 6.522 -3.688 3.929) 8.460 2.552 ( 0.387 -1.814 -4.104) 4.504 2.552 ( -0.387 -1.814 4.104) 4.504 2.626 ( -1.196 1.105 -1.340) 2.109 2.626 ( 1.196 1.105 1.340) 2.109 2.717 ( -0.876 -0.034 0.228) 0.906 2.717 ( 0.876 -0.034 -0.228) 0.906 2.830 ( 0.520 0.596 -0.682) 1.044 2.830 ( -0.520 0.596 0.682) 1.044 2.932 ( -0.417 0.587 -2.053) 2.176 2.932 ( 0.417 0.587 2.053) 2.176 3.014 ( -1.114 -1.075 -2.487) 2.930 3.014 ( 1.114 -1.075 2.487) 2.930 3.180 ( -0.316 -1.606 -1.758) 2.402 3.180 ( 0.316 -1.606 1.758) 2.402 3.366 ( -0.580 1.353 -0.714) 1.636 3.366 ( 0.580 1.353 0.714) 1.636 3.487 ( -0.073 -1.478 -1.504) 2.110 3.487 ( 0.073 -1.478 1.504) 2.110 4.945 ( 0.202 -0.028 -0.529) 0.567 4.945 ( -0.202 -0.028 0.529) 0.567 5.008 ( 0.778 -0.166 -2.277) 2.412 5.008 ( -0.778 -0.166 2.277) 2.413 5.212 ( -1.444 0.200 -0.511) 1.545 5.212 ( 1.444 0.200 0.511) 1.545 5.231 ( -3.229 -0.297 -1.247) 3.474 5.231 ( 3.229 -0.297 1.247) 3.474 5.679 ( 0.793 1.866 -0.935) 2.232 5.679 ( -0.793 1.866 0.935) 2.232 5.737 ( -1.670 0.198 -1.112) 2.016 5.737 ( 1.670 0.198 1.112) 2.016 5.914 ( -1.949 1.247 -1.044) 2.538 5.914 ( 1.949 1.247 1.044) 2.538 5.998 ( -2.423 -0.863 -1.147) 2.817 5.998 ( 2.423 -0.863 1.147) 2.817 6.081 ( -1.681 0.270 -0.340) 1.736 6.081 ( 1.681 0.270 0.340) 1.736 6.133 ( -0.920 -1.953 -3.257) 3.907 6.133 ( 0.920 -1.953 3.257) 3.907 6.669 ( 0.212 2.930 -3.036) 4.224 6.669 ( -0.212 2.930 3.036) 4.224 6.900 ( 0.722 -4.334 -4.434) 6.243 6.900 ( -0.722 -4.334 4.434) 6.243 7.106 ( -0.092 4.094 -2.194) 4.646 7.106 ( 0.092 4.094 2.194) 4.646 7.202 ( -0.011 -0.074 -2.395) 2.396 7.202 ( 0.011 -0.074 2.395) 2.396 7.764 ( 0.266 1.977 -4.540) 4.959 7.764 ( -0.266 1.977 4.540) 4.959 8.037 ( 1.858 -1.096 -8.371) 8.645 8.037 ( -1.858 -1.096 8.371) 8.645 8.298 ( -0.124 0.672 -3.629) 3.692 8.298 ( 0.124 0.672 3.629) 3.692 8.703 ( 1.154 -2.748 -3.951) 4.949 8.703 ( -1.154 -2.748 3.951) 4.949 ======================= Grid point 147 (76/84) ======================= q-point: ( 0.11 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 3.667 -1.760 -0.703) 4.128 1.172 ( 2.907 -4.561 -3.439) 6.409 1.177 ( 7.622 1.185 -6.820) 10.296 1.208 ( 1.497 -6.198 -5.532) 8.441 1.289 ( 5.638 -3.740 3.697) 7.711 1.384 ( 9.573 -5.537 -1.089) 11.113 1.418 ( 9.200 -2.442 7.642) 12.207 1.490 ( 12.083 -4.993 3.709) 13.590 1.650 ( 1.448 5.734 -0.228) 5.919 1.704 ( 1.586 5.155 0.601) 5.427 1.828 ( 2.159 5.998 1.067) 6.463 1.901 ( 3.379 7.299 -4.772) 9.352 1.979 ( 2.329 1.760 2.587) 3.901 2.059 ( 3.987 0.576 3.021) 5.035 2.178 ( -4.541 1.157 -3.335) 5.752 2.235 ( -3.045 -2.123 -5.172) 6.366 2.308 ( 0.031 -0.982 1.609) 1.885 2.467 ( 5.155 -1.987 -0.349) 5.535 2.522 ( 0.400 -0.417 2.889) 2.946 2.604 ( -0.663 5.351 -3.268) 6.305 2.620 ( 1.768 1.885 1.839) 3.172 2.666 ( 2.480 0.376 1.746) 3.057 2.738 ( 3.188 -2.558 0.581) 4.128 2.787 ( 5.407 -0.969 -0.155) 5.495 2.856 ( 1.689 -1.557 1.517) 2.753 2.869 ( 2.997 -2.010 0.181) 3.613 2.919 ( 0.046 0.881 -2.869) 3.002 2.945 ( 1.304 1.082 1.531) 2.284 2.983 ( -1.215 -1.667 -0.516) 2.126 3.037 ( 1.535 0.258 1.349) 2.060 3.155 ( -1.406 -2.185 -0.666) 2.682 3.186 ( -0.314 -1.133 -0.373) 1.234 3.295 ( -4.607 -0.016 -0.110) 4.609 3.308 ( -5.329 0.226 -0.015) 5.334 3.435 ( -3.868 -0.396 0.687) 3.949 3.457 ( -3.074 -0.880 -0.113) 3.200 5.072 ( 6.673 0.096 0.631) 6.704 5.101 ( 7.894 0.125 1.106) 7.972 5.120 ( 14.418 -0.360 0.110) 14.423 5.123 ( 13.549 -0.258 -0.904) 13.581 5.210 ( 1.631 1.184 -1.223) 2.358 5.257 ( 6.892 -0.326 0.049) 6.900 5.288 ( 5.344 0.764 0.184) 5.402 5.346 ( 8.077 -1.689 -2.043) 8.501 5.656 ( 0.451 1.222 0.937) 1.605 5.715 ( 0.125 -0.382 -0.987) 1.066 5.745 ( 3.193 3.358 -1.953) 5.028 5.792 ( 3.883 0.708 -0.392) 3.966 5.890 ( 0.621 1.614 -1.188) 2.098 5.913 ( -2.393 0.779 0.205) 2.525 5.974 ( 2.439 -0.475 0.603) 2.557 5.992 ( 0.564 -0.962 0.724) 1.330 6.124 ( 1.430 -1.927 -2.591) 3.532 6.134 ( 3.247 -2.124 2.576) 4.657 6.175 ( 4.744 0.305 -0.201) 4.758 6.187 ( 3.825 -0.309 0.654) 3.893 6.713 ( 5.241 2.418 1.641) 6.001 6.737 ( 6.063 2.795 -0.965) 6.746 6.937 ( 5.190 -3.083 3.496) 6.976 6.991 ( 7.153 -3.905 -1.236) 8.243 7.155 ( 5.471 4.043 -2.216) 7.154 7.179 ( 6.202 3.642 -1.550) 7.357 7.251 ( 5.065 -0.095 -0.189) 5.069 7.273 ( 6.224 -0.185 -0.051) 6.227 7.767 ( 0.997 1.626 2.318) 3.002 7.792 ( 2.221 1.896 -0.189) 2.927 7.996 ( -2.239 -0.262 8.356) 8.655 8.057 ( 1.231 -1.952 -9.679) 9.950 8.310 ( 2.393 0.568 -1.669) 2.972 8.332 ( 2.699 0.377 1.570) 3.146 8.689 ( -0.010 -1.693 5.025) 5.302 8.731 ( 2.507 -3.009 -6.080) 7.232 ======================= Grid point 148 (77/84) ======================= q-point: ( 0.22 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.175 ( 6.326 -3.804 -7.374) 10.434 1.249 ( 4.274 -5.047 -3.927) 7.692 1.258 ( 5.235 -0.231 2.188) 5.678 1.321 ( 5.931 -0.442 0.026) 5.947 1.446 ( 7.749 1.636 -1.984) 8.165 1.553 ( 6.490 -1.750 4.361) 8.013 1.598 ( 7.223 -0.465 2.635) 7.703 1.657 ( 5.721 -2.379 -0.065) 6.196 1.767 ( 2.092 1.456 0.574) 2.612 1.813 ( 9.137 3.072 3.354) 10.207 1.904 ( 7.639 1.204 -1.511) 7.879 1.973 ( 2.260 0.685 -0.940) 2.542 2.050 ( 0.974 0.934 -1.819) 2.265 2.066 ( 5.246 -2.243 2.288) 6.147 2.191 ( -0.245 -1.187 -6.151) 6.269 2.232 ( 5.654 -4.303 -0.031) 7.105 2.347 ( 4.767 6.313 3.099) 8.496 2.501 ( 0.059 1.960 -0.265) 1.979 2.550 ( 0.475 4.424 0.554) 4.484 2.598 ( 0.744 2.780 -3.076) 4.212 2.641 ( 1.025 2.440 1.445) 3.016 2.700 ( 0.656 0.787 1.272) 1.633 2.818 ( 3.535 -5.066 0.299) 6.184 2.852 ( -1.206 -2.827 1.242) 3.315 2.869 ( 0.720 -1.946 -2.593) 3.321 2.937 ( 3.153 -2.730 2.695) 4.966 2.957 ( 4.039 -1.137 -1.025) 4.319 2.991 ( 2.104 -1.724 2.028) 3.393 3.009 ( 3.832 2.189 1.832) 4.779 3.069 ( 1.124 2.631 -1.585) 3.271 3.139 ( 0.112 -2.150 0.811) 2.301 3.172 ( 0.579 -1.131 -1.547) 2.002 3.223 ( -1.411 -0.737 0.082) 1.594 3.264 ( 1.298 -1.180 0.038) 1.755 3.361 ( -2.866 0.810 1.157) 3.195 3.394 ( -2.366 -0.161 -0.595) 2.445 5.150 ( 2.929 -0.024 0.751) 3.024 5.222 ( 4.295 -1.881 1.683) 4.982 5.257 ( 2.658 2.863 -0.751) 3.978 5.357 ( 4.766 0.485 -0.758) 4.850 5.432 ( 10.246 1.240 -0.638) 10.341 5.450 ( 14.039 -0.165 2.481) 14.257 5.478 ( 10.943 -0.487 -0.161) 10.955 5.532 ( 11.157 -2.119 -0.683) 11.377 5.703 ( 3.701 0.662 0.347) 3.775 5.757 ( 4.361 -0.630 -0.115) 4.408 5.786 ( 1.824 2.480 -2.186) 3.776 5.833 ( 0.783 -0.421 -2.781) 2.919 5.950 ( 5.537 1.770 -0.280) 5.820 5.978 ( 7.726 2.656 0.758) 8.205 6.048 ( 4.335 -1.261 -0.348) 4.529 6.056 ( 6.209 -0.897 1.418) 6.432 6.170 ( 3.986 -1.439 -1.347) 4.447 6.209 ( 4.633 -2.092 3.288) 6.055 6.254 ( 3.578 0.878 -1.972) 4.179 6.270 ( 4.616 0.033 0.014) 4.616 6.873 ( 10.111 1.946 2.936) 10.707 6.901 ( 10.008 1.049 -0.690) 10.086 7.093 ( 9.262 -0.518 2.899) 9.719 7.154 ( 8.553 -2.752 -0.762) 9.017 7.295 ( 8.016 3.219 -2.900) 9.112 7.331 ( 8.839 3.008 -3.960) 10.142 7.381 ( 7.472 0.236 0.507) 7.493 7.426 ( 8.547 -0.092 -0.145) 8.549 7.812 ( 3.437 0.885 3.887) 5.264 7.854 ( 4.097 1.447 0.626) 4.390 7.987 ( 0.948 0.170 9.002) 9.053 8.092 ( 3.210 -2.379 -11.432) 12.110 8.398 ( 6.317 0.473 0.133) 6.336 8.417 ( 5.987 0.533 0.587) 6.039 8.726 ( 3.168 -1.010 6.702) 7.482 8.799 ( 4.468 -3.417 -8.924) 10.549 ======================= Grid point 149 (78/84) ======================= q-point: ( 0.33 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.284 ( 4.501 -3.645 -3.491) 6.762 1.342 ( 4.540 -5.460 -4.447) 8.378 1.376 ( 6.330 1.704 0.126) 6.556 1.444 ( 6.565 -0.392 -0.579) 6.603 1.565 ( 4.596 1.042 1.408) 4.919 1.646 ( 2.303 -1.145 2.687) 3.720 1.705 ( 2.800 -0.165 2.364) 3.668 1.724 ( 1.171 -1.113 -2.859) 3.284 1.770 ( 0.607 2.381 0.910) 2.620 1.896 ( -2.611 -2.578 0.635) 3.724 1.944 ( 1.031 -0.472 3.075) 3.278 2.021 ( -1.735 -1.447 -3.064) 3.807 2.122 ( 4.122 0.752 1.295) 4.385 2.193 ( 7.842 -1.513 -0.146) 7.988 2.250 ( 3.506 1.940 -1.256) 4.199 2.325 ( 3.562 -1.156 0.690) 3.808 2.480 ( 6.454 3.751 1.660) 7.647 2.515 ( 0.897 2.832 -0.812) 3.079 2.558 ( 1.704 4.823 0.391) 5.130 2.618 ( 1.709 2.157 -2.483) 3.707 2.659 ( 0.324 0.586 0.822) 1.060 2.718 ( 1.646 1.605 0.466) 2.345 2.846 ( -1.216 -3.609 -0.430) 3.833 2.847 ( 1.422 -1.520 1.377) 2.495 2.883 ( 3.061 -3.932 -0.280) 4.991 2.966 ( 0.753 -2.805 2.233) 3.664 2.986 ( -1.818 -2.629 -1.275) 3.441 3.018 ( 0.945 -1.889 -3.208) 3.841 3.096 ( 3.627 1.501 3.997) 5.602 3.106 ( 2.021 3.301 -0.888) 3.971 3.170 ( 3.065 -1.034 -0.441) 3.264 3.212 ( 2.169 -0.753 0.907) 2.469 3.261 ( 3.398 -0.100 1.368) 3.664 3.297 ( 1.277 0.400 -0.478) 1.421 3.356 ( 2.423 -0.167 -0.460) 2.472 3.389 ( 1.878 -0.710 -0.786) 2.156 5.207 ( 2.747 0.482 0.917) 2.936 5.285 ( 1.305 1.985 1.135) 2.633 5.298 ( 2.262 -1.210 0.175) 2.571 5.398 ( 0.346 0.227 -0.860) 0.954 5.574 ( 4.606 1.286 0.347) 4.795 5.605 ( 3.646 0.424 -0.456) 3.698 5.673 ( 8.113 0.398 1.767) 8.313 5.718 ( 6.223 0.018 -0.914) 6.290 5.755 ( 2.202 0.279 -0.274) 2.237 5.797 ( 0.081 0.226 -1.028) 1.056 5.853 ( 3.588 -1.588 0.948) 4.036 5.875 ( 1.611 -2.338 -2.747) 3.951 6.081 ( 4.815 1.366 0.266) 5.013 6.108 ( 3.828 2.026 -0.266) 4.339 6.145 ( 5.729 -2.123 0.223) 6.113 6.190 ( 5.798 -0.520 -0.057) 5.821 6.291 ( 7.669 0.181 5.134) 9.230 6.333 ( 4.850 1.798 -3.864) 6.457 6.348 ( 8.470 -0.826 0.047) 8.510 6.390 ( 7.250 -0.421 0.822) 7.309 7.084 ( 10.010 0.971 1.679) 10.196 7.111 ( 10.344 0.130 0.737) 10.371 7.258 ( 5.956 0.179 1.522) 6.150 7.297 ( 5.307 -1.817 -1.313) 5.761 7.451 ( 7.730 3.160 -1.276) 8.448 7.508 ( 8.668 3.101 -6.787) 11.437 7.527 ( 6.657 0.665 2.049) 6.997 7.585 ( 6.814 0.673 0.155) 6.849 7.907 ( 5.590 0.127 1.630) 5.824 7.954 ( 5.637 0.449 5.062) 7.589 8.033 ( 2.273 0.660 8.176) 8.512 8.152 ( 2.959 -2.135 -12.072) 12.611 8.548 ( 8.266 0.342 6.772) 10.692 8.569 ( 8.822 0.071 -4.688) 9.991 8.799 ( 2.741 -1.076 7.402) 7.966 8.865 ( 2.185 -3.281 -10.799) 11.495 ======================= Grid point 150 (79/84) ======================= q-point: ( 0.44 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.352 ( 2.639 -3.688 -1.410) 4.749 1.383 ( -0.194 -4.494 0.219) 4.504 1.501 ( 5.701 -0.745 -4.010) 7.010 1.554 ( 2.660 -1.886 -2.184) 3.924 1.639 ( 0.923 -0.798 5.658) 5.788 1.663 ( 2.615 -0.600 3.692) 4.564 1.696 ( -1.927 -0.316 -2.808) 3.420 1.738 ( -1.587 -1.451 0.115) 2.153 1.798 ( 2.803 1.613 1.018) 3.390 1.871 ( -0.207 -1.580 -4.133) 4.429 1.918 ( -3.783 0.579 2.120) 4.375 1.940 ( -2.624 -0.201 0.296) 2.649 2.208 ( 3.418 2.486 -0.019) 4.226 2.257 ( -1.557 3.230 1.100) 3.750 2.307 ( 3.734 -0.064 3.096) 4.851 2.359 ( -0.674 0.069 -3.612) 3.675 2.517 ( 0.101 3.471 3.031) 4.609 2.531 ( -0.518 2.647 -2.807) 3.893 2.620 ( 3.510 1.023 -0.402) 3.678 2.659 ( -0.142 0.656 -1.078) 1.270 2.696 ( 3.981 1.966 2.556) 5.123 2.741 ( -0.138 1.479 -0.782) 1.678 2.845 ( 1.271 -2.194 0.381) 2.564 2.878 ( -0.587 -2.435 0.382) 2.533 2.939 ( 2.009 -3.536 1.173) 4.233 2.954 ( -0.181 -2.529 -2.474) 3.542 2.991 ( 1.174 -4.289 3.073) 5.405 3.011 ( -0.601 -4.179 -3.676) 5.598 3.143 ( 1.673 3.085 -0.493) 3.544 3.152 ( 1.059 2.607 2.420) 3.711 3.216 ( 1.629 0.271 -1.682) 2.357 3.232 ( -0.111 0.091 1.812) 1.818 3.310 ( 1.466 1.256 0.079) 1.933 3.322 ( 0.607 1.682 -0.212) 1.800 3.413 ( 2.372 -1.627 -0.245) 2.887 3.428 ( 1.036 -1.499 -0.409) 1.867 5.257 ( 2.070 1.425 0.463) 2.555 5.286 ( -0.822 2.588 0.111) 2.717 5.345 ( 2.173 -1.779 0.871) 2.940 5.383 ( -1.502 -0.625 -0.845) 1.834 5.637 ( 1.809 1.335 1.166) 2.532 5.648 ( 0.838 1.235 -1.202) 1.916 5.754 ( 1.188 0.262 1.736) 2.119 5.768 ( 0.013 0.494 -2.483) 2.531 5.819 ( 2.883 -0.156 -0.008) 2.887 5.830 ( 2.134 0.097 0.287) 2.155 5.884 ( 0.263 -2.375 -1.788) 2.985 5.888 ( 0.119 -2.481 1.495) 2.899 6.136 ( 1.341 1.818 0.884) 2.426 6.144 ( 0.605 2.175 -0.999) 2.468 6.234 ( 2.728 -2.577 0.117) 3.754 6.253 ( 0.869 -2.025 -0.035) 2.204 6.411 ( 3.189 1.724 0.393) 3.647 6.418 ( 2.550 2.272 0.384) 3.437 6.494 ( 4.856 -0.955 -0.354) 4.962 6.509 ( 3.261 -1.018 0.748) 3.497 7.247 ( 5.779 0.403 0.424) 5.808 7.274 ( 4.807 0.084 1.293) 4.979 7.321 ( 1.018 -0.393 0.386) 1.158 7.349 ( -0.032 -1.240 -1.489) 1.938 7.578 ( 4.285 3.265 1.002) 5.479 7.606 ( 1.754 3.361 -4.109) 5.591 7.652 ( 4.490 1.321 1.463) 4.903 7.677 ( 2.032 1.459 -0.629) 2.579 8.011 ( 4.375 0.191 -5.240) 6.829 8.057 ( -0.250 -0.404 9.945) 9.956 8.081 ( 5.194 0.247 8.592) 10.043 8.163 ( -1.366 -1.473 -11.975) 12.142 8.717 ( 7.421 -0.766 6.810) 10.101 8.729 ( 6.872 -0.747 -3.479) 7.739 8.819 ( -1.655 -1.091 7.263) 7.528 8.849 ( -3.093 -2.121 -11.093) 11.710 ======================= Grid point 155 (80/84) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 0.000 0.000 -0.000) 0.000 1.056 ( 0.000 0.000 0.000) 0.000 1.113 ( 0.000 0.000 0.000) 0.000 1.113 ( -0.000 -0.000 0.000) 0.000 1.180 ( -0.000 0.000 -0.000) 0.000 1.180 ( -0.000 0.000 -0.000) 0.000 1.252 ( -0.000 0.000 -0.000) 0.000 1.252 ( 0.000 0.000 0.000) 0.000 1.752 ( -0.000 -0.000 0.000) 0.000 1.752 ( -0.000 0.000 0.000) 0.000 1.961 ( 0.000 -0.000 -0.000) 0.000 1.961 ( 0.000 0.000 0.000) 0.000 2.008 ( -0.000 0.000 -0.000) 0.000 2.008 ( 0.000 0.000 0.000) 0.000 2.250 ( -0.000 -0.000 -0.000) 0.000 2.250 ( 0.000 0.000 0.000) 0.000 2.335 ( -0.000 -0.000 -0.000) 0.000 2.335 ( -0.000 0.000 0.000) 0.000 2.507 ( -0.000 -0.000 0.000) 0.000 2.507 ( 0.000 0.000 0.000) 0.000 2.640 ( -0.000 0.000 -0.000) 0.000 2.640 ( 0.000 0.000 0.000) 0.000 2.726 ( -0.000 0.000 0.000) 0.000 2.726 ( 0.000 0.000 0.000) 0.000 2.850 ( -0.000 0.000 0.000) 0.000 2.850 ( 0.000 0.000 0.000) 0.000 2.958 ( -0.000 -0.000 -0.000) 0.000 2.958 ( 0.000 0.000 -0.000) 0.000 2.959 ( 0.000 -0.000 0.000) 0.001 2.959 ( -0.000 0.000 0.000) 0.000 3.167 ( -0.000 0.000 0.000) 0.000 3.167 ( 0.000 0.000 0.000) 0.000 3.387 ( -0.000 0.000 -0.000) 0.000 3.387 ( 0.000 0.000 0.000) 0.000 3.464 ( -0.000 0.000 0.000) 0.000 3.464 ( -0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 4.944 ( 0.000 0.000 0.000) 0.000 5.006 ( -0.000 0.000 0.000) 0.000 5.006 ( -0.000 0.000 0.000) 0.000 5.217 ( -0.000 -0.000 0.000) 0.000 5.217 ( 0.000 0.000 0.000) 0.000 5.225 ( -0.000 0.000 0.000) 0.000 5.225 ( -0.000 0.000 0.000) 0.000 5.701 ( 0.000 -0.000 -0.000) 0.000 5.701 ( -0.000 0.000 0.000) 0.000 5.743 ( -0.000 -0.000 0.000) 0.000 5.743 ( -0.000 0.000 0.000) 0.000 5.941 ( -0.000 -0.000 -0.000) 0.000 5.941 ( -0.000 0.000 0.000) 0.000 5.977 ( -0.000 0.000 0.000) 0.000 5.977 ( 0.000 0.000 0.000) 0.000 6.093 ( -0.000 -0.000 0.000) 0.000 6.093 ( -0.000 0.000 0.000) 0.000 6.098 ( -0.000 0.000 0.000) 0.000 6.098 ( 0.000 0.000 0.000) 0.000 6.718 ( -0.000 0.000 0.000) 0.000 6.718 ( 0.000 0.000 0.000) 0.000 6.838 ( 0.000 0.000 0.000) 0.000 6.838 ( -0.000 0.000 0.000) 0.000 7.164 ( -0.000 0.000 -0.000) 0.000 7.164 ( -0.000 0.000 0.000) 0.000 7.192 ( 0.000 -0.000 -0.000) 0.000 7.192 ( -0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 7.792 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 -0.000) 0.000 8.022 ( -0.000 0.000 0.000) 0.000 8.307 ( -0.000 0.000 0.000) 0.000 8.307 ( -0.000 0.000 0.000) 0.000 8.665 ( -0.000 0.000 0.000) 0.000 8.665 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 159 (81/84) ======================= q-point: ( 0.11 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( 1.970 -2.749 -8.711) 9.344 1.075 ( 1.970 2.749 -8.711) 9.344 1.157 ( 5.558 -1.610 2.356) 6.247 1.157 ( 5.558 1.610 2.356) 6.247 1.292 ( 10.532 -2.951 -1.653) 11.062 1.292 ( 10.532 2.951 -1.653) 11.062 1.410 ( 11.399 -1.788 6.693) 13.339 1.410 ( 11.399 1.788 6.693) 13.339 1.749 ( 1.076 -2.108 1.220) 2.663 1.749 ( 1.076 2.108 1.220) 2.663 1.938 ( -0.577 -3.649 -2.368) 4.388 1.938 ( -0.577 3.649 -2.368) 4.388 2.025 ( 0.006 -2.915 2.271) 3.696 2.025 ( 0.006 2.915 2.271) 3.696 2.198 ( -2.780 -2.296 -4.804) 6.007 2.198 ( -2.780 2.296 -4.804) 6.007 2.380 ( 4.232 -5.557 0.711) 7.021 2.380 ( 4.232 5.557 0.711) 7.021 2.575 ( 4.921 -4.734 0.849) 6.881 2.575 ( 4.921 4.734 0.849) 6.881 2.671 ( 2.034 -0.973 1.804) 2.887 2.671 ( 2.034 0.973 1.804) 2.887 2.759 ( 1.894 -2.692 -0.159) 3.295 2.759 ( 1.894 2.692 -0.159) 3.295 2.838 ( -0.226 -0.549 0.275) 0.655 2.838 ( -0.226 0.549 0.275) 0.655 2.934 ( -0.870 -1.791 -2.281) 3.028 2.934 ( -0.870 1.791 -2.281) 3.028 2.990 ( 2.582 -2.927 1.582) 4.211 2.990 ( 2.582 2.927 1.582) 4.211 3.160 ( -0.582 -1.425 -0.068) 1.541 3.160 ( -0.582 1.425 -0.068) 1.541 3.303 ( -6.100 -0.630 -0.466) 6.150 3.303 ( -6.100 0.630 -0.466) 6.150 3.437 ( -2.641 -0.678 0.821) 2.847 3.437 ( -2.641 0.678 0.821) 2.847 5.086 ( 6.891 -1.025 1.305) 7.088 5.086 ( 6.891 1.025 1.305) 7.088 5.119 ( 13.835 -0.091 -1.015) 13.872 5.119 ( 13.835 0.091 -1.015) 13.872 5.242 ( 4.679 -1.318 -0.933) 4.950 5.242 ( 4.679 1.318 -0.933) 4.950 5.309 ( 6.789 -1.409 -0.238) 6.938 5.309 ( 6.789 1.409 -0.238) 6.938 5.691 ( 0.418 -1.575 -0.396) 1.677 5.691 ( 0.418 1.575 -0.396) 1.677 5.795 ( 3.412 -0.855 -1.462) 3.809 5.795 ( 3.412 0.855 -1.462) 3.809 5.928 ( -0.095 -0.634 -0.111) 0.650 5.928 ( -0.095 0.634 -0.111) 0.650 5.965 ( 0.780 -0.666 0.847) 1.330 5.965 ( 0.780 0.666 0.847) 1.330 6.101 ( 1.918 -0.360 0.597) 2.040 6.101 ( 1.918 0.360 0.597) 2.040 6.181 ( 4.818 -0.302 -0.459) 4.849 6.181 ( 4.818 0.302 -0.459) 4.849 6.763 ( 4.749 -1.292 1.378) 5.111 6.763 ( 4.749 1.292 1.378) 5.111 6.919 ( 7.550 -2.017 0.165) 7.816 6.919 ( 7.550 2.017 0.165) 7.816 7.219 ( 5.137 -1.367 -0.806) 5.376 7.219 ( 5.137 1.367 -0.806) 5.376 7.255 ( 6.064 -1.379 -1.054) 6.307 7.255 ( 6.064 1.379 -1.054) 6.307 7.804 ( 1.175 -1.086 2.605) 3.057 7.804 ( 1.175 1.086 2.605) 3.057 8.012 ( -0.427 -1.846 -2.260) 2.949 8.012 ( -0.427 1.846 -2.260) 2.950 8.327 ( 2.454 -0.790 0.464) 2.620 8.327 ( 2.454 0.790 0.464) 2.620 8.677 ( 1.565 -1.178 -0.889) 2.150 8.677 ( 1.565 1.178 -0.889) 2.150 ======================= Grid point 161 (82/84) ======================= q-point: ( 0.22 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 5.519 -2.208 -7.993) 9.961 1.148 ( 5.519 2.208 -7.993) 9.961 1.290 ( 6.857 -2.239 3.317) 7.939 1.290 ( 6.857 2.239 3.317) 7.939 1.501 ( 8.361 -2.660 1.009) 8.832 1.501 ( 8.361 2.660 1.008) 8.832 1.606 ( 7.223 -1.335 0.440) 7.358 1.606 ( 7.223 1.335 0.440) 7.358 1.823 ( 3.446 -3.324 3.474) 5.915 1.823 ( 3.446 3.324 3.474) 5.915 1.946 ( 1.821 -4.061 -1.466) 4.686 1.946 ( 1.821 4.061 -1.466) 4.686 2.038 ( 3.121 -1.510 0.619) 3.522 2.038 ( 3.121 1.510 0.619) 3.522 2.195 ( 3.409 -1.734 -2.891) 4.795 2.195 ( 3.409 1.734 -2.891) 4.795 2.471 ( 4.334 -4.288 -0.100) 6.097 2.471 ( 4.334 4.288 -0.100) 6.097 2.652 ( 1.357 -3.078 -0.145) 3.367 2.652 ( 1.357 3.078 -0.145) 3.367 2.674 ( -0.488 -3.107 0.210) 3.152 2.674 ( -0.487 3.107 0.210) 3.152 2.770 ( 0.386 -2.634 0.973) 2.835 2.770 ( 0.386 2.634 0.973) 2.835 2.872 ( 1.589 -1.977 -0.239) 2.547 2.872 ( 1.589 1.977 -0.239) 2.547 2.955 ( 3.239 -0.923 -0.279) 3.379 2.955 ( 3.239 0.923 -0.279) 3.379 3.063 ( 3.913 -2.478 1.921) 5.014 3.063 ( 3.913 2.478 1.921) 5.014 3.142 ( -0.859 -1.802 -1.271) 2.366 3.142 ( -0.859 1.802 -1.271) 2.366 3.231 ( 0.123 -1.450 0.138) 1.461 3.231 ( 0.123 1.450 0.138) 1.461 3.381 ( -2.283 -0.949 0.823) 2.605 3.381 ( -2.283 0.949 0.823) 2.605 5.172 ( 3.313 -1.952 1.145) 4.012 5.172 ( 3.313 1.952 1.145) 4.012 5.331 ( 3.860 -2.826 -1.353) 4.971 5.331 ( 3.860 2.826 -1.353) 4.971 5.450 ( 13.148 -0.412 0.435) 13.162 5.450 ( 13.148 0.412 0.435) 13.162 5.486 ( 10.843 -1.679 1.024) 11.020 5.486 ( 10.843 1.679 1.024) 11.020 5.733 ( 3.531 -1.585 -0.052) 3.871 5.733 ( 3.531 1.585 -0.052) 3.871 5.821 ( 0.215 -0.878 -3.215) 3.339 5.821 ( 0.215 0.878 -3.215) 3.339 6.002 ( 4.785 -2.559 -0.980) 5.514 6.002 ( 4.785 2.559 -0.980) 5.514 6.031 ( 7.279 -1.598 1.728) 7.650 6.031 ( 7.279 1.598 1.728) 7.650 6.166 ( 4.970 -1.327 1.970) 5.509 6.166 ( 4.970 1.327 1.970) 5.509 6.267 ( 4.278 -0.385 -1.406) 4.520 6.267 ( 4.278 0.385 -1.406) 4.520 6.907 ( 9.227 -0.789 1.167) 9.334 6.907 ( 9.227 0.789 1.167) 9.334 7.104 ( 9.926 -1.697 1.005) 10.120 7.104 ( 9.926 1.697 1.005) 10.120 7.348 ( 7.566 -1.474 -0.734) 7.743 7.348 ( 7.566 1.474 -0.734) 7.743 7.408 ( 8.881 -1.739 -2.447) 9.375 7.408 ( 8.881 1.739 -2.447) 9.375 7.847 ( 2.945 -1.826 5.950) 6.886 7.847 ( 2.945 1.826 5.950) 6.886 8.027 ( 2.484 -3.247 -5.181) 6.600 8.027 ( 2.484 3.247 -5.181) 6.600 8.415 ( 6.179 -0.762 1.382) 6.378 8.415 ( 6.179 0.762 1.382) 6.378 8.732 ( 3.774 -1.999 -1.840) 4.650 8.732 ( 3.774 1.999 -1.840) 4.650 ======================= Grid point 163 (83/84) ======================= q-point: ( 0.33 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.251 ( 4.629 -1.590 -4.972) 6.977 1.251 ( 4.629 1.590 -4.972) 6.977 1.421 ( 6.071 -1.901 0.041) 6.362 1.421 ( 6.071 1.901 0.041) 6.362 1.608 ( 2.686 -2.391 4.043) 5.411 1.608 ( 2.686 2.391 4.043) 5.411 1.702 ( 2.480 -0.275 -2.388) 3.454 1.702 ( 2.480 0.275 -2.388) 3.454 1.823 ( -1.276 -3.174 2.216) 4.076 1.823 ( -1.276 3.174 2.216) 4.076 1.972 ( -0.512 -2.421 -0.927) 2.643 1.972 ( -0.512 2.421 -0.927) 2.643 2.157 ( 6.975 -1.884 0.805) 7.270 2.157 ( 6.975 1.884 0.805) 7.270 2.298 ( 4.581 -1.642 0.684) 4.914 2.298 ( 4.581 1.642 0.684) 4.914 2.545 ( 3.034 -1.422 -1.010) 3.499 2.545 ( 3.034 1.422 -1.010) 3.500 2.632 ( -0.279 -2.884 -0.911) 3.037 2.632 ( -0.279 2.884 -0.911) 3.037 2.706 ( 1.849 -4.283 -0.056) 4.665 2.706 ( 1.849 4.283 -0.056) 4.665 2.794 ( 1.862 -1.273 1.929) 2.968 2.794 ( 1.862 1.273 1.929) 2.968 2.885 ( 0.462 -2.425 0.506) 2.520 2.885 ( 0.462 2.425 0.506) 2.520 2.978 ( -1.348 -1.241 -2.718) 3.278 2.978 ( -1.348 1.241 -2.718) 3.278 3.134 ( 3.458 -1.718 2.296) 4.493 3.134 ( 3.458 1.718 2.296) 4.493 3.174 ( 3.091 -2.391 -0.093) 3.909 3.174 ( 3.091 2.391 -0.093) 3.909 3.279 ( 3.585 -1.483 0.110) 3.881 3.279 ( 3.585 1.483 0.110) 3.881 3.369 ( 0.954 -1.037 -0.114) 1.414 3.369 ( 0.954 1.037 -0.114) 1.414 5.237 ( 3.180 -2.190 1.292) 4.071 5.237 ( 3.180 2.190 1.292) 4.071 5.366 ( 0.213 -2.989 -1.071) 3.182 5.366 ( 0.213 2.989 -1.071) 3.182 5.602 ( 4.636 -0.888 0.519) 4.749 5.602 ( 4.636 0.888 0.519) 4.749 5.696 ( 7.850 -1.581 0.950) 8.063 5.696 ( 7.850 1.581 0.950) 8.063 5.781 ( 0.883 -1.789 -0.222) 2.007 5.781 ( 0.883 1.789 -0.222) 2.007 5.839 ( 1.473 -0.892 -2.049) 2.676 5.839 ( 1.473 0.892 -2.049) 2.676 6.105 ( 4.968 -1.454 -0.188) 5.180 6.105 ( 4.968 1.454 -0.188) 5.180 6.159 ( 4.105 -2.208 0.492) 4.686 6.159 ( 4.105 2.208 0.492) 4.686 6.316 ( 9.018 -1.859 1.362) 9.308 6.316 ( 9.018 1.859 1.362) 9.308 6.370 ( 6.187 -1.472 -0.360) 6.370 6.370 ( 6.187 1.472 -0.360) 6.370 7.105 ( 9.734 -0.790 -0.008) 9.766 7.105 ( 9.734 0.790 -0.008) 9.766 7.269 ( 5.752 -0.903 1.144) 5.934 7.269 ( 5.752 0.904 1.144) 5.934 7.508 ( 8.049 -1.746 0.749) 8.270 7.508 ( 8.049 1.746 0.749) 8.270 7.578 ( 7.726 -1.774 -3.908) 8.838 7.578 ( 7.726 1.774 -3.908) 8.838 7.930 ( 4.677 -1.826 8.311) 9.710 7.930 ( 4.677 1.826 8.311) 9.710 8.087 ( 3.240 -3.588 -6.981) 8.491 8.087 ( 3.240 3.588 -6.981) 8.491 8.562 ( 8.020 -0.745 2.334) 8.386 8.562 ( 8.020 0.745 2.334) 8.386 8.801 ( 2.677 -1.836 -2.687) 4.214 8.801 ( 2.677 1.836 -2.687) 4.214 ======================= Grid point 165 (84/84) ======================= q-point: ( 0.44 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 2.84e-04 2.84e-04 2.84e-04 2.84e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 4.63e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.309 ( 1.473 -0.838 -1.525) 2.279 1.309 ( 1.473 0.838 -1.525) 2.279 1.516 ( 2.730 -1.473 -2.235) 3.824 1.516 ( 2.730 1.473 -2.235) 3.824 1.641 ( 1.633 -0.900 5.970) 6.255 1.641 ( 1.633 0.900 5.970) 6.255 1.700 ( -2.260 -1.242 -3.079) 4.016 1.700 ( -2.260 1.242 -3.079) 4.016 1.836 ( 2.490 -1.819 -0.093) 3.085 1.836 ( 2.490 1.819 -0.093) 3.085 1.931 ( -2.940 -0.507 0.101) 2.985 1.931 ( -2.940 0.507 0.101) 2.985 2.273 ( 4.313 -2.798 1.267) 5.295 2.273 ( 4.313 2.798 1.267) 5.295 2.329 ( -0.977 -2.694 -0.379) 2.891 2.329 ( -0.977 2.694 -0.379) 2.891 2.586 ( 1.039 -0.585 -0.592) 1.331 2.586 ( 1.039 0.585 -0.592) 1.331 2.636 ( 0.105 -1.804 -0.298) 1.832 2.636 ( 0.104 1.804 -0.298) 1.832 2.742 ( 1.401 -1.902 0.487) 2.412 2.742 ( 1.401 1.902 0.487) 2.412 2.827 ( 0.694 -1.929 1.353) 2.456 2.827 ( 0.694 1.929 1.353) 2.456 2.907 ( 1.404 -0.860 0.230) 1.663 2.907 ( 1.404 0.860 0.230) 1.663 2.947 ( -0.834 -0.906 -2.034) 2.378 2.947 ( -0.834 0.906 -2.034) 2.378 3.184 ( 1.220 -0.499 0.069) 1.320 3.184 ( 1.220 0.499 0.069) 1.320 3.221 ( 1.316 -0.772 0.928) 1.786 3.221 ( 1.316 0.772 0.928) 1.786 3.341 ( 2.022 -0.981 0.384) 2.280 3.341 ( 2.022 0.982 0.384) 2.280 3.393 ( 0.830 -0.958 -0.671) 1.434 3.393 ( 0.830 0.958 -0.671) 1.434 5.297 ( 2.557 -2.043 1.016) 3.427 5.297 ( 2.557 2.043 1.016) 3.427 5.350 ( -1.537 -2.358 -0.879) 2.949 5.350 ( -1.537 2.358 -0.879) 2.949 5.662 ( 1.532 -0.422 0.359) 1.630 5.662 ( 1.532 0.422 0.359) 1.630 5.766 ( 0.227 -0.765 -0.279) 0.845 5.766 ( 0.227 0.765 -0.279) 0.845 5.825 ( 2.864 -0.727 -0.474) 2.993 5.825 ( 2.864 0.727 -0.474) 2.993 5.852 ( -0.082 -0.327 0.116) 0.356 5.852 ( -0.082 0.327 0.116) 0.357 6.177 ( 2.031 -1.854 0.575) 2.809 6.177 ( 2.031 1.854 0.575) 2.809 6.202 ( 0.692 -2.256 -0.439) 2.400 6.202 ( 0.692 2.256 -0.439) 2.400 6.451 ( 3.450 -1.183 -1.038) 3.792 6.451 ( 3.450 1.183 -1.038) 3.792 6.477 ( 3.484 -1.313 1.569) 4.040 6.477 ( 3.484 1.313 1.569) 4.040 7.263 ( 5.547 -0.900 -0.499) 5.641 7.263 ( 5.547 0.900 -0.499) 5.641 7.326 ( 0.119 -0.802 0.655) 1.043 7.326 ( 0.119 0.802 0.655) 1.043 7.638 ( 4.000 -1.415 2.019) 4.699 7.638 ( 4.000 1.415 2.019) 4.699 7.682 ( 2.654 -1.302 -3.442) 4.537 7.682 ( 2.655 1.302 -3.442) 4.537 8.028 ( 3.728 -1.471 6.996) 8.062 8.028 ( 3.728 1.471 6.996) 8.062 8.118 ( 0.185 -2.482 -6.123) 6.609 8.118 ( 0.185 2.482 -6.123) 6.609 8.713 ( 6.205 -0.470 2.714) 6.789 8.713 ( 6.205 0.470 2.713) 6.789 8.811 ( -1.621 -0.832 -2.842) 3.376 8.811 ( -1.621 0.832 -2.842) 3.376 =================== 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 3/15552 10.0 100.944 74.269 91.091 0.000 17.746 0.000 3/15552 20.0 26.006 18.855 21.738 0.000 3.440 0.000 3/15552 30.0 12.844 9.062 10.081 0.000 1.597 0.000 3/15552 40.0 8.239 5.719 6.266 0.000 1.012 0.000 3/15552 50.0 5.897 4.059 4.412 0.000 0.729 0.000 3/15552 60.0 4.493 3.073 3.327 0.000 0.561 0.000 3/15552 70.0 3.583 2.434 2.632 0.000 0.451 0.000 3/15552 80.0 2.959 1.997 2.160 0.000 0.375 0.000 3/15552 90.0 2.513 1.685 1.825 0.000 0.320 0.000 3/15552 100.0 2.182 1.454 1.578 0.000 0.279 0.000 3/15552 110.0 1.928 1.278 1.389 0.000 0.247 0.000 3/15552 120.0 1.728 1.139 1.241 0.000 0.221 0.000 3/15552 130.0 1.566 1.028 1.121 0.000 0.200 0.000 3/15552 140.0 1.433 0.937 1.024 0.000 0.183 0.000 3/15552 150.0 1.321 0.861 0.942 0.000 0.169 0.000 3/15552 160.0 1.226 0.796 0.873 0.000 0.156 0.000 3/15552 170.0 1.145 0.741 0.814 0.000 0.146 0.000 3/15552 180.0 1.073 0.694 0.762 0.000 0.137 0.000 3/15552 190.0 1.011 0.652 0.717 0.000 0.129 0.000 3/15552 200.0 0.955 0.615 0.677 0.000 0.121 0.000 3/15552 210.0 0.906 0.582 0.642 0.000 0.115 0.000 3/15552 220.0 0.861 0.553 0.610 0.000 0.109 0.000 3/15552 230.0 0.821 0.526 0.581 0.000 0.104 0.000 3/15552 240.0 0.785 0.502 0.555 0.000 0.099 0.000 3/15552 250.0 0.751 0.480 0.531 0.000 0.095 0.000 3/15552 260.0 0.721 0.460 0.509 0.000 0.091 0.000 3/15552 270.0 0.693 0.442 0.489 0.000 0.088 0.000 3/15552 280.0 0.667 0.425 0.471 0.000 0.084 0.000 3/15552 290.0 0.643 0.410 0.454 0.000 0.081 0.000 3/15552 300.0 0.621 0.395 0.438 0.000 0.078 0.000 3/15552 310.0 0.600 0.382 0.423 0.000 0.076 0.000 3/15552 320.0 0.581 0.369 0.410 0.000 0.073 0.000 3/15552 330.0 0.562 0.357 0.397 0.000 0.071 0.000 3/15552 340.0 0.545 0.346 0.385 0.000 0.069 0.000 3/15552 350.0 0.529 0.336 0.373 0.000 0.067 0.000 3/15552 360.0 0.514 0.326 0.363 0.000 0.065 0.000 3/15552 370.0 0.500 0.317 0.352 0.000 0.063 0.000 3/15552 380.0 0.486 0.309 0.343 0.000 0.061 0.000 3/15552 390.0 0.474 0.300 0.334 0.000 0.060 0.000 3/15552 400.0 0.462 0.293 0.325 0.000 0.058 0.000 3/15552 410.0 0.450 0.285 0.317 0.000 0.057 0.000 3/15552 420.0 0.439 0.278 0.309 0.000 0.055 0.000 3/15552 430.0 0.429 0.272 0.302 0.000 0.054 0.000 3/15552 440.0 0.419 0.265 0.295 0.000 0.053 0.000 3/15552 450.0 0.409 0.259 0.288 0.000 0.051 0.000 3/15552 460.0 0.400 0.253 0.282 0.000 0.050 0.000 3/15552 470.0 0.392 0.248 0.276 0.000 0.049 0.000 3/15552 480.0 0.384 0.243 0.270 0.000 0.048 0.000 3/15552 490.0 0.376 0.238 0.264 0.000 0.047 0.000 3/15552 500.0 0.368 0.233 0.259 0.000 0.046 0.000 3/15552 510.0 0.361 0.228 0.254 0.000 0.045 0.000 3/15552 520.0 0.354 0.224 0.249 0.000 0.044 0.000 3/15552 530.0 0.347 0.219 0.244 0.000 0.044 0.000 3/15552 540.0 0.340 0.215 0.240 0.000 0.043 0.000 3/15552 550.0 0.334 0.211 0.235 0.000 0.042 0.000 3/15552 560.0 0.328 0.207 0.231 0.000 0.041 0.000 3/15552 570.0 0.322 0.204 0.227 0.000 0.040 0.000 3/15552 580.0 0.317 0.200 0.223 0.000 0.040 0.000 3/15552 590.0 0.311 0.197 0.219 0.000 0.039 0.000 3/15552 600.0 0.306 0.193 0.215 0.000 0.038 0.000 3/15552 610.0 0.301 0.190 0.212 0.000 0.038 0.000 3/15552 620.0 0.296 0.187 0.208 0.000 0.037 0.000 3/15552 630.0 0.291 0.184 0.205 0.000 0.037 0.000 3/15552 640.0 0.287 0.181 0.202 0.000 0.036 0.000 3/15552 650.0 0.282 0.178 0.199 0.000 0.035 0.000 3/15552 660.0 0.278 0.176 0.196 0.000 0.035 0.000 3/15552 670.0 0.274 0.173 0.193 0.000 0.034 0.000 3/15552 680.0 0.270 0.170 0.190 0.000 0.034 0.000 3/15552 690.0 0.266 0.168 0.187 0.000 0.033 0.000 3/15552 700.0 0.262 0.165 0.184 0.000 0.033 0.000 3/15552 710.0 0.258 0.163 0.182 0.000 0.032 0.000 3/15552 720.0 0.255 0.161 0.179 0.000 0.032 0.000 3/15552 730.0 0.251 0.159 0.177 0.000 0.031 0.000 3/15552 740.0 0.248 0.156 0.174 0.000 0.031 0.000 3/15552 750.0 0.245 0.154 0.172 0.000 0.031 0.000 3/15552 760.0 0.241 0.152 0.170 0.000 0.030 0.000 3/15552 770.0 0.238 0.150 0.168 0.000 0.030 0.000 3/15552 780.0 0.235 0.148 0.165 0.000 0.029 0.000 3/15552 790.0 0.232 0.146 0.163 0.000 0.029 0.000 3/15552 800.0 0.229 0.145 0.161 0.000 0.029 0.000 3/15552 810.0 0.226 0.143 0.159 0.000 0.028 0.000 3/15552 820.0 0.224 0.141 0.157 0.000 0.028 0.000 3/15552 830.0 0.221 0.139 0.155 0.000 0.028 0.000 3/15552 840.0 0.218 0.138 0.154 0.000 0.027 0.000 3/15552 850.0 0.216 0.136 0.152 0.000 0.027 0.000 3/15552 860.0 0.213 0.134 0.150 0.000 0.027 0.000 3/15552 870.0 0.211 0.133 0.148 0.000 0.026 0.000 3/15552 880.0 0.208 0.131 0.147 0.000 0.026 0.000 3/15552 890.0 0.206 0.130 0.145 0.000 0.026 0.000 3/15552 900.0 0.204 0.128 0.143 0.000 0.026 0.000 3/15552 910.0 0.201 0.127 0.142 0.000 0.025 0.000 3/15552 920.0 0.199 0.126 0.140 0.000 0.025 0.000 3/15552 930.0 0.197 0.124 0.139 0.000 0.025 0.000 3/15552 940.0 0.195 0.123 0.137 0.000 0.024 0.000 3/15552 950.0 0.193 0.122 0.136 0.000 0.024 0.000 3/15552 960.0 0.191 0.120 0.134 0.000 0.024 0.000 3/15552 970.0 0.189 0.119 0.133 0.000 0.024 0.000 3/15552 980.0 0.187 0.118 0.132 0.000 0.023 0.000 3/15552 990.0 0.185 0.117 0.130 0.000 0.023 0.000 3/15552 1000.0 0.183 0.116 0.129 0.000 0.023 0.000 3/15552 Thermal conductivity related properties were written into "kappa-m946.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 18:51:50]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|