----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:11:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.884106520590720 0.000000000000000 0.000000000000000 b 0.000000000000000 5.147474460000001 0.000000000000000 c -7.659699237462315 0.000000000000000 12.080212880459035 Atomic positions (fractional): *1 O 0.23565129320128 0.46406099601691 0.77076544942073 15.999 2 O 0.76434870679872 0.96406099601691 0.72923455057927 15.999 3 O 0.76434870679872 0.53593900398309 0.22923455057927 15.999 4 O 0.23565129320128 0.03593900398309 0.27076544942073 15.999 *5 O 0.22186436939588 0.04104959359795 0.88543732089280 15.999 6 O 0.77813563060411 0.54104959359795 0.61456267910720 15.999 7 O 0.77813563060411 0.95895040640205 0.11456267910720 15.999 8 O 0.22186436939588 0.45895040640205 0.38543732089280 15.999 *9 O 0.04890222642985 0.02813427968518 0.65349421957178 15.999 *10 O 0.41958401271416 0.48426713618567 0.28295960933812 15.999 11 O 0.95109777357015 0.97186572031482 0.34650578042822 15.999 12 O 0.04890222642985 0.47186572031482 0.15349421957178 15.999 13 O 0.41958401271416 0.01573286381433 0.78295960933812 15.999 14 O 0.58041598728584 0.51573286381433 0.71704039066188 15.999 15 O 0.58041598728584 0.98426713618567 0.21704039066188 15.999 16 O 0.95109777357015 0.52813427968518 0.84650578042822 15.999 *17 As 0.76858601294922 0.86517124367057 0.22563757190552 74.922 18 As 0.23141398705078 0.13482875632943 0.77436242809448 74.922 19 As 0.23141398705078 0.36517124367057 0.27436242809448 74.922 20 As 0.76858601294922 0.63482875632943 0.72563757190552 74.922 *21 Hg 0.55006767101099 0.83977229206804 0.37550872032703 200.590 *22 Hg 0.27496122370940 0.65575683578937 0.96163124712669 200.590 23 Hg 0.27496122370940 0.84424316421063 0.46163124712669 200.590 24 Hg 0.72503877629060 0.34424316421063 0.03836875287331 200.590 25 Hg 0.72503877629060 0.15575683578937 0.53836875287331 200.590 26 Hg 0.44993232898901 0.33977229206804 0.12449127967296 200.590 27 Hg 0.44993232898901 0.16022770793196 0.62449127967297 200.590 28 Hg 0.55006767101099 0.66022770793196 0.87550872032703 200.590 *29 Hg 0.03695886058652 0.65025454189738 0.58117712674992 200.590 30 Hg 0.96304113941348 0.15025454189738 0.91882287325008 200.590 31 Hg 0.96304113941348 0.34974545810262 0.41882287325008 200.590 32 Hg 0.03695886058652 0.84974545810262 0.08117712674992 200.590 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.884106520590720 0.000000000000000 0.000000000000000 b 0.000000000000000 5.147474460000001 0.000000000000000 c -7.659699237462315 0.000000000000000 12.080212880459035 Atomic positions (fractional): *1 O 0.23565129320128 0.46406099601691 0.77076544942073 15.999 > 1 2 O 0.76434870679872 0.96406099601691 0.72923455057927 15.999 > 2 3 O 0.76434870679872 0.53593900398309 0.22923455057927 15.999 > 3 4 O 0.23565129320128 0.03593900398309 0.27076544942073 15.999 > 4 *5 O 0.22186436939588 0.04104959359795 0.88543732089280 15.999 > 5 6 O 0.77813563060411 0.54104959359795 0.61456267910720 15.999 > 6 7 O 0.77813563060411 0.95895040640205 0.11456267910720 15.999 > 7 8 O 0.22186436939588 0.45895040640205 0.38543732089280 15.999 > 8 *9 O 0.04890222642985 0.02813427968518 0.65349421957178 15.999 > 9 *10 O 0.41958401271416 0.48426713618567 0.28295960933812 15.999 > 10 11 O 0.95109777357015 0.97186572031482 0.34650578042822 15.999 > 11 12 O 0.04890222642985 0.47186572031482 0.15349421957178 15.999 > 12 13 O 0.41958401271416 0.01573286381433 0.78295960933812 15.999 > 13 14 O 0.58041598728584 0.51573286381433 0.71704039066188 15.999 > 14 15 O 0.58041598728584 0.98426713618567 0.21704039066188 15.999 > 15 16 O 0.95109777357015 0.52813427968518 0.84650578042822 15.999 > 16 *17 As 0.76858601294922 0.86517124367057 0.22563757190552 74.922 > 17 18 As 0.23141398705078 0.13482875632943 0.77436242809448 74.922 > 18 19 As 0.23141398705078 0.36517124367057 0.27436242809448 74.922 > 19 20 As 0.76858601294922 0.63482875632943 0.72563757190552 74.922 > 20 *21 Hg 0.55006767101099 0.83977229206804 0.37550872032703 200.590 > 21 *22 Hg 0.27496122370940 0.65575683578937 0.96163124712669 200.590 > 22 23 Hg 0.27496122370940 0.84424316421063 0.46163124712669 200.590 > 23 24 Hg 0.72503877629060 0.34424316421063 0.03836875287331 200.590 > 24 25 Hg 0.72503877629060 0.15575683578937 0.53836875287331 200.590 > 25 26 Hg 0.44993232898901 0.33977229206804 0.12449127967296 200.590 > 26 27 Hg 0.44993232898901 0.16022770793196 0.62449127967297 200.590 > 27 28 Hg 0.55006767101099 0.66022770793196 0.87550872032703 200.590 > 28 *29 Hg 0.03695886058652 0.65025454189738 0.58117712674992 200.590 > 29 30 Hg 0.96304113941348 0.15025454189738 0.91882287325008 200.590 > 30 31 Hg 0.96304113941348 0.34974545810262 0.41882287325008 200.590 > 31 32 Hg 0.03695886058652 0.84974545810262 0.08117712674992 200.590 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 17.768213041181440 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294948920000001 0.000000000000000 c -7.659699237462315 0.000000000000000 12.080212880459035 Atomic positions (fractional): *1 O 0.11782564660064 0.23203049800845 0.77076544942073 15.999 > 1 2 O 0.61782564660064 0.23203049800845 0.77076544942073 15.999 > 1 3 O 0.11782564660064 0.73203049800845 0.77076544942073 15.999 > 1 4 O 0.61782564660064 0.73203049800845 0.77076544942073 15.999 > 1 5 O 0.38217435339936 0.48203049800845 0.72923455057927 15.999 > 2 6 O 0.88217435339936 0.48203049800845 0.72923455057927 15.999 > 2 7 O 0.38217435339936 0.98203049800845 0.72923455057927 15.999 > 2 8 O 0.88217435339936 0.98203049800845 0.72923455057927 15.999 > 2 9 O 0.38217435339936 0.26796950199155 0.22923455057927 15.999 > 3 10 O 0.88217435339936 0.26796950199155 0.22923455057927 15.999 > 3 11 O 0.38217435339936 0.76796950199155 0.22923455057927 15.999 > 3 12 O 0.88217435339936 0.76796950199155 0.22923455057927 15.999 > 3 13 O 0.11782564660064 0.01796950199155 0.27076544942073 15.999 > 4 14 O 0.61782564660064 0.01796950199155 0.27076544942073 15.999 > 4 15 O 0.11782564660064 0.51796950199155 0.27076544942073 15.999 > 4 16 O 0.61782564660064 0.51796950199155 0.27076544942073 15.999 > 4 *17 O 0.11093218469794 0.02052479679897 0.88543732089280 15.999 > 5 18 O 0.61093218469794 0.02052479679897 0.88543732089280 15.999 > 5 19 O 0.11093218469794 0.52052479679897 0.88543732089280 15.999 > 5 20 O 0.61093218469794 0.52052479679897 0.88543732089280 15.999 > 5 21 O 0.38906781530206 0.27052479679897 0.61456267910720 15.999 > 6 22 O 0.88906781530206 0.27052479679897 0.61456267910720 15.999 > 6 23 O 0.38906781530206 0.77052479679897 0.61456267910720 15.999 > 6 24 O 0.88906781530206 0.77052479679897 0.61456267910720 15.999 > 6 25 O 0.38906781530206 0.47947520320103 0.11456267910720 15.999 > 7 26 O 0.88906781530206 0.47947520320103 0.11456267910720 15.999 > 7 27 O 0.38906781530206 0.97947520320103 0.11456267910720 15.999 > 7 28 O 0.88906781530206 0.97947520320103 0.11456267910720 15.999 > 7 29 O 0.11093218469794 0.22947520320103 0.38543732089280 15.999 > 8 30 O 0.61093218469794 0.22947520320103 0.38543732089280 15.999 > 8 31 O 0.11093218469794 0.72947520320103 0.38543732089280 15.999 > 8 32 O 0.61093218469794 0.72947520320103 0.38543732089280 15.999 > 8 *33 O 0.02445111321493 0.01406713984259 0.65349421957178 15.999 > 9 34 O 0.52445111321493 0.01406713984259 0.65349421957178 15.999 > 9 35 O 0.02445111321493 0.51406713984259 0.65349421957178 15.999 > 9 36 O 0.52445111321493 0.51406713984259 0.65349421957178 15.999 > 9 *37 O 0.20979200635708 0.24213356809284 0.28295960933812 15.999 > 10 38 O 0.70979200635708 0.24213356809284 0.28295960933812 15.999 > 10 39 O 0.20979200635708 0.74213356809284 0.28295960933812 15.999 > 10 40 O 0.70979200635708 0.74213356809284 0.28295960933812 15.999 > 10 41 O 0.47554888678507 0.48593286015741 0.34650578042822 15.999 > 11 42 O 0.97554888678507 0.48593286015741 0.34650578042822 15.999 > 11 43 O 0.47554888678507 0.98593286015741 0.34650578042822 15.999 > 11 44 O 0.97554888678507 0.98593286015741 0.34650578042822 15.999 > 11 45 O 0.02445111321493 0.23593286015741 0.15349421957178 15.999 > 12 46 O 0.52445111321493 0.23593286015741 0.15349421957178 15.999 > 12 47 O 0.02445111321493 0.73593286015741 0.15349421957178 15.999 > 12 48 O 0.52445111321493 0.73593286015741 0.15349421957178 15.999 > 12 49 O 0.20979200635708 0.00786643190716 0.78295960933812 15.999 > 13 50 O 0.70979200635708 0.00786643190716 0.78295960933812 15.999 > 13 51 O 0.20979200635708 0.50786643190716 0.78295960933812 15.999 > 13 52 O 0.70979200635708 0.50786643190716 0.78295960933812 15.999 > 13 53 O 0.29020799364292 0.25786643190716 0.71704039066188 15.999 > 14 54 O 0.79020799364292 0.25786643190716 0.71704039066188 15.999 > 14 55 O 0.29020799364292 0.75786643190716 0.71704039066188 15.999 > 14 56 O 0.79020799364292 0.75786643190716 0.71704039066188 15.999 > 14 57 O 0.29020799364292 0.49213356809284 0.21704039066188 15.999 > 15 58 O 0.79020799364292 0.49213356809284 0.21704039066188 15.999 > 15 59 O 0.29020799364292 0.99213356809284 0.21704039066188 15.999 > 15 60 O 0.79020799364292 0.99213356809284 0.21704039066188 15.999 > 15 61 O 0.47554888678507 0.26406713984259 0.84650578042822 15.999 > 16 62 O 0.97554888678507 0.26406713984259 0.84650578042822 15.999 > 16 63 O 0.47554888678507 0.76406713984259 0.84650578042822 15.999 > 16 64 O 0.97554888678507 0.76406713984259 0.84650578042822 15.999 > 16 *65 As 0.38429300647461 0.43258562183529 0.22563757190552 74.922 > 17 66 As 0.88429300647461 0.43258562183529 0.22563757190552 74.922 > 17 67 As 0.38429300647461 0.93258562183529 0.22563757190552 74.922 > 17 68 As 0.88429300647461 0.93258562183529 0.22563757190552 74.922 > 17 69 As 0.11570699352539 0.06741437816471 0.77436242809448 74.922 > 18 70 As 0.61570699352539 0.06741437816471 0.77436242809448 74.922 > 18 71 As 0.11570699352539 0.56741437816471 0.77436242809448 74.922 > 18 72 As 0.61570699352539 0.56741437816471 0.77436242809448 74.922 > 18 73 As 0.11570699352539 0.18258562183529 0.27436242809448 74.922 > 19 74 As 0.61570699352539 0.18258562183529 0.27436242809448 74.922 > 19 75 As 0.11570699352539 0.68258562183529 0.27436242809448 74.922 > 19 76 As 0.61570699352539 0.68258562183529 0.27436242809448 74.922 > 19 77 As 0.38429300647461 0.31741437816471 0.72563757190552 74.922 > 20 78 As 0.88429300647461 0.31741437816471 0.72563757190552 74.922 > 20 79 As 0.38429300647461 0.81741437816471 0.72563757190552 74.922 > 20 80 As 0.88429300647461 0.81741437816471 0.72563757190552 74.922 > 20 *81 Hg 0.27503383550549 0.41988614603402 0.37550872032703 200.590 > 21 82 Hg 0.77503383550549 0.41988614603402 0.37550872032703 200.590 > 21 83 Hg 0.27503383550549 0.91988614603402 0.37550872032703 200.590 > 21 84 Hg 0.77503383550549 0.91988614603402 0.37550872032703 200.590 > 21 *85 Hg 0.13748061185470 0.32787841789468 0.96163124712669 200.590 > 22 86 Hg 0.63748061185470 0.32787841789468 0.96163124712669 200.590 > 22 87 Hg 0.13748061185470 0.82787841789468 0.96163124712669 200.590 > 22 88 Hg 0.63748061185470 0.82787841789468 0.96163124712669 200.590 > 22 89 Hg 0.13748061185470 0.42212158210532 0.46163124712669 200.590 > 23 90 Hg 0.63748061185470 0.42212158210532 0.46163124712669 200.590 > 23 91 Hg 0.13748061185470 0.92212158210532 0.46163124712669 200.590 > 23 92 Hg 0.63748061185470 0.92212158210532 0.46163124712669 200.590 > 23 93 Hg 0.36251938814530 0.17212158210532 0.03836875287331 200.590 > 24 94 Hg 0.86251938814530 0.17212158210532 0.03836875287331 200.590 > 24 95 Hg 0.36251938814530 0.67212158210532 0.03836875287331 200.590 > 24 96 Hg 0.86251938814530 0.67212158210532 0.03836875287331 200.590 > 24 97 Hg 0.36251938814530 0.07787841789468 0.53836875287331 200.590 > 25 98 Hg 0.86251938814530 0.07787841789468 0.53836875287331 200.590 > 25 99 Hg 0.36251938814530 0.57787841789468 0.53836875287331 200.590 > 25 100 Hg 0.86251938814530 0.57787841789468 0.53836875287331 200.590 > 25 101 Hg 0.22496616449451 0.16988614603402 0.12449127967296 200.590 > 26 102 Hg 0.72496616449451 0.16988614603402 0.12449127967296 200.590 > 26 103 Hg 0.22496616449451 0.66988614603402 0.12449127967296 200.590 > 26 104 Hg 0.72496616449451 0.66988614603402 0.12449127967296 200.590 > 26 105 Hg 0.22496616449451 0.08011385396598 0.62449127967297 200.590 > 27 106 Hg 0.72496616449451 0.08011385396598 0.62449127967297 200.590 > 27 107 Hg 0.22496616449451 0.58011385396598 0.62449127967297 200.590 > 27 108 Hg 0.72496616449451 0.58011385396598 0.62449127967297 200.590 > 27 109 Hg 0.27503383550549 0.33011385396598 0.87550872032703 200.590 > 28 110 Hg 0.77503383550549 0.33011385396598 0.87550872032703 200.590 > 28 111 Hg 0.27503383550549 0.83011385396598 0.87550872032703 200.590 > 28 112 Hg 0.77503383550549 0.83011385396598 0.87550872032703 200.590 > 28 *113 Hg 0.01847943029326 0.32512727094869 0.58117712674992 200.590 > 29 114 Hg 0.51847943029326 0.32512727094869 0.58117712674992 200.590 > 29 115 Hg 0.01847943029326 0.82512727094869 0.58117712674992 200.590 > 29 116 Hg 0.51847943029326 0.82512727094869 0.58117712674992 200.590 > 29 117 Hg 0.48152056970674 0.07512727094869 0.91882287325008 200.590 > 30 118 Hg 0.98152056970674 0.07512727094869 0.91882287325008 200.590 > 30 119 Hg 0.48152056970674 0.57512727094869 0.91882287325008 200.590 > 30 120 Hg 0.98152056970674 0.57512727094869 0.91882287325008 200.590 > 30 121 Hg 0.48152056970674 0.17487272905131 0.41882287325008 200.590 > 31 122 Hg 0.98152056970674 0.17487272905131 0.41882287325008 200.590 > 31 123 Hg 0.48152056970674 0.67487272905131 0.41882287325008 200.590 > 31 124 Hg 0.98152056970674 0.67487272905131 0.41882287325008 200.590 > 31 125 Hg 0.01847943029326 0.42487272905131 0.08117712674992 200.590 > 32 126 Hg 0.51847943029326 0.42487272905131 0.08117712674992 200.590 > 32 127 Hg 0.01847943029326 0.92487272905131 0.08117712674992 200.590 > 32 128 Hg 0.51847943029326 0.92487272905131 0.08117712674992 200.590 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6147674 0.0000000 0.0146261 0.0000000 5.9642944 0.0000000 0.0146260 0.0000000 6.9533980 -------------------------- Born effective charges -------------------------- 1 O -1.4305447 -0.2329617 -0.1989659 -0.2075628 -2.8286759 -0.0357189 -0.2775442 -0.0312449 -2.7112353 2 O -1.4305447 0.2329617 -0.1989659 0.2075628 -2.8286759 0.0357189 -0.2775442 0.0312449 -2.7112353 3 O -1.4305447 -0.2329617 -0.1989659 -0.2075628 -2.8286759 -0.0357189 -0.2775442 -0.0312449 -2.7112353 4 O -1.4305447 0.2329617 -0.1989659 0.2075628 -2.8286759 0.0357189 -0.2775442 0.0312449 -2.7112353 5 O -1.9266483 -0.2771936 0.8387695 -0.3537577 -2.2749556 0.7881551 1.0727940 0.9483848 -2.5840650 6 O -1.9266483 0.2771936 0.8387695 0.3537577 -2.2749556 -0.7881551 1.0727940 -0.9483848 -2.5840650 7 O -1.9266483 -0.2771936 0.8387695 -0.3537577 -2.2749556 0.7881551 1.0727940 0.9483848 -2.5840650 8 O -1.9266483 0.2771936 0.8387695 0.3537577 -2.2749556 -0.7881551 1.0727940 -0.9483848 -2.5840650 9 O -1.5690449 -0.0958113 -0.6552852 -0.0033815 -2.3318179 -0.8430106 -0.8061180 -1.0463609 -2.9653297 10 O -2.5520612 -0.5231688 0.1345166 -0.9207026 -2.2335760 -0.6042565 -0.1514641 -0.8450487 -2.0787991 11 O -1.5690449 -0.0958113 -0.6552852 -0.0033815 -2.3318179 -0.8430106 -0.8061180 -1.0463609 -2.9653297 12 O -1.5690449 0.0958113 -0.6552852 0.0033815 -2.3318179 0.8430106 -0.8061180 1.0463609 -2.9653297 13 O -2.5520612 0.5231688 0.1345166 0.9207026 -2.2335760 0.6042565 -0.1514641 0.8450487 -2.0787991 14 O -2.5520612 -0.5231688 0.1345166 -0.9207026 -2.2335760 -0.6042565 -0.1514641 -0.8450487 -2.0787991 15 O -2.5520612 0.5231688 0.1345166 0.9207026 -2.2335760 0.6042565 -0.1514641 0.8450487 -2.0787991 16 O -1.5690449 0.0958113 -0.6552852 0.0033815 -2.3318179 0.8430106 -0.8061180 1.0463609 -2.9653297 17 As 3.6840972 0.3449112 -0.2799171 0.1230721 3.7774223 0.2449243 0.1413612 0.4030288 4.3529492 18 As 3.6840972 0.3449112 -0.2799171 0.1230721 3.7774223 0.2449243 0.1413612 0.4030288 4.3529492 19 As 3.6840972 -0.3449112 -0.2799171 -0.1230721 3.7774223 -0.2449243 0.1413612 -0.4030288 4.3529492 20 As 3.6840972 -0.3449112 -0.2799171 -0.1230721 3.7774223 -0.2449243 0.1413612 -0.4030288 4.3529492 21 Hg 1.2454888 0.3695338 0.0547555 0.1427040 1.8737724 0.0754615 0.1675531 0.3412344 2.1116929 22 Hg 1.4211311 0.0515134 0.2493674 0.0165254 1.9915205 0.0246880 0.1174848 -0.4438531 1.8102212 23 Hg 1.4211311 -0.0515134 0.2493674 -0.0165254 1.9915205 -0.0246880 0.1174848 0.4438531 1.8102212 24 Hg 1.4211311 0.0515134 0.2493674 0.0165254 1.9915205 0.0246880 0.1174848 -0.4438531 1.8102212 25 Hg 1.4211311 -0.0515134 0.2493674 -0.0165254 1.9915205 -0.0246880 0.1174848 0.4438531 1.8102212 26 Hg 1.2454888 -0.3695338 0.0547555 -0.1427040 1.8737724 -0.0754615 0.1675531 -0.3412344 2.1116929 27 Hg 1.2454888 0.3695338 0.0547555 0.1427040 1.8737724 0.0754615 0.1675531 0.3412344 2.1116929 28 Hg 1.2454888 -0.3695338 0.0547555 -0.1427040 1.8737724 -0.0754615 0.1675531 -0.3412344 2.1116929 29 Hg 1.1275822 -0.1714905 -0.1432409 -0.1388802 2.0263102 -0.1663197 -0.2640668 0.1958231 2.0645658 30 Hg 1.1275822 0.1714905 -0.1432409 0.1388802 2.0263102 0.1663197 -0.2640668 -0.1958231 2.0645658 31 Hg 1.1275822 -0.1714905 -0.1432409 -0.1388802 2.0263102 -0.1663197 -0.2640668 0.1958231 2.0645658 32 Hg 1.1275822 0.1714905 -0.1432409 0.1388802 2.0263102 0.1663197 -0.2640668 -0.1958231 2.0645658 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.019 Solver_block: 100 / 960 - Time: 2.457 Solver_block: 200 / 960 - Time: 3.080 Solver_block: 300 / 960 - Time: 3.501 Solver_block: 400 / 960 - Time: 2.295 Solver_block: 500 / 960 - Time: 2.631 Solver_block: 600 / 960 - Time: 1.977 Solver_block: 700 / 960 - Time: 2.551 Solver_block: 800 / 960 - Time: 2.856 Solver_block: 900 / 960 - Time: 2.170 Solver_block: 960 / 960 - Time: 2.113 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 26.721 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4752 Number of blocks in projector: 4752 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 560 Use submatrix version of eigh solver. (1) Block: 560 / 560 (2) Block: 250 / 560 (2) 242 eigenvectors found. (2) Block: 500 / 560 (2) 243 eigenvectors found. (2) Block: 560 / 560 (2) 52 eigenvectors found. (2) Complementary block size: 23 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 552 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4752, 4681), data: False |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (560, 552), data: False |-- (560, 552), data: False |-- (560, 15), data: (560, 23) @ (23, 15) |-- (60, 52), data: True |-- (250, 243), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 11), data: (524, 27) @ (27, 11) |-- (274, 261), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (zz) 0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:13:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:13:21]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.884106520590720 0.000000000000000 0.000000000000000 b 0.000000000000000 5.147474460000001 0.000000000000000 c -7.659699237462315 0.000000000000000 12.080212880459035 Atomic positions (fractional): 1 O 0.23565129320128 0.46406099601691 0.77076544942073 15.999 2 O 0.76434870679872 0.96406099601691 0.72923455057927 15.999 3 O 0.76434870679872 0.53593900398309 0.22923455057927 15.999 4 O 0.23565129320128 0.03593900398309 0.27076544942073 15.999 5 O 0.22186436939588 0.04104959359795 0.88543732089280 15.999 6 O 0.77813563060411 0.54104959359795 0.61456267910720 15.999 7 O 0.77813563060411 0.95895040640205 0.11456267910720 15.999 8 O 0.22186436939588 0.45895040640205 0.38543732089280 15.999 9 O 0.04890222642985 0.02813427968518 0.65349421957178 15.999 10 O 0.41958401271416 0.48426713618567 0.28295960933812 15.999 11 O 0.95109777357015 0.97186572031482 0.34650578042822 15.999 12 O 0.04890222642985 0.47186572031482 0.15349421957178 15.999 13 O 0.41958401271416 0.01573286381433 0.78295960933812 15.999 14 O 0.58041598728584 0.51573286381433 0.71704039066188 15.999 15 O 0.58041598728584 0.98426713618567 0.21704039066188 15.999 16 O 0.95109777357015 0.52813427968518 0.84650578042822 15.999 17 As 0.76858601294922 0.86517124367057 0.22563757190552 74.922 18 As 0.23141398705078 0.13482875632943 0.77436242809448 74.922 19 As 0.23141398705078 0.36517124367057 0.27436242809448 74.922 20 As 0.76858601294922 0.63482875632943 0.72563757190552 74.922 21 Hg 0.55006767101099 0.83977229206804 0.37550872032703 200.590 22 Hg 0.27496122370940 0.65575683578937 0.96163124712669 200.590 23 Hg 0.27496122370940 0.84424316421063 0.46163124712669 200.590 24 Hg 0.72503877629060 0.34424316421063 0.03836875287331 200.590 25 Hg 0.72503877629060 0.15575683578937 0.53836875287331 200.590 26 Hg 0.44993232898901 0.33977229206804 0.12449127967296 200.590 27 Hg 0.44993232898901 0.16022770793196 0.62449127967297 200.590 28 Hg 0.55006767101099 0.66022770793196 0.87550872032703 200.590 29 Hg 0.03695886058652 0.65025454189738 0.58117712674992 200.590 30 Hg 0.96304113941348 0.15025454189738 0.91882287325008 200.590 31 Hg 0.96304113941348 0.34974545810262 0.41882287325008 200.590 32 Hg 0.03695886058652 0.84974545810262 0.08117712674992 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.768213041181440 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294948920000001 0.000000000000000 c -7.659699237462315 0.000000000000000 12.080212880459035 Atomic positions (fractional): 1 O 0.11782564660064 0.23203049800845 0.77076544942073 15.999 > 1 2 O 0.61782564660064 0.23203049800845 0.77076544942073 15.999 > 1 3 O 0.11782564660064 0.73203049800845 0.77076544942073 15.999 > 1 4 O 0.61782564660064 0.73203049800845 0.77076544942073 15.999 > 1 5 O 0.38217435339936 0.48203049800845 0.72923455057927 15.999 > 5 6 O 0.88217435339936 0.48203049800845 0.72923455057927 15.999 > 5 7 O 0.38217435339936 0.98203049800845 0.72923455057927 15.999 > 5 8 O 0.88217435339936 0.98203049800845 0.72923455057927 15.999 > 5 9 O 0.38217435339936 0.26796950199155 0.22923455057927 15.999 > 9 10 O 0.88217435339936 0.26796950199155 0.22923455057927 15.999 > 9 11 O 0.38217435339936 0.76796950199155 0.22923455057927 15.999 > 9 12 O 0.88217435339936 0.76796950199155 0.22923455057927 15.999 > 9 13 O 0.11782564660064 0.01796950199155 0.27076544942073 15.999 > 13 14 O 0.61782564660064 0.01796950199155 0.27076544942073 15.999 > 13 15 O 0.11782564660064 0.51796950199155 0.27076544942073 15.999 > 13 16 O 0.61782564660064 0.51796950199155 0.27076544942073 15.999 > 13 17 O 0.11093218469794 0.02052479679897 0.88543732089280 15.999 > 17 18 O 0.61093218469794 0.02052479679897 0.88543732089280 15.999 > 17 19 O 0.11093218469794 0.52052479679897 0.88543732089280 15.999 > 17 20 O 0.61093218469794 0.52052479679897 0.88543732089280 15.999 > 17 21 O 0.38906781530206 0.27052479679897 0.61456267910720 15.999 > 21 22 O 0.88906781530206 0.27052479679897 0.61456267910720 15.999 > 21 23 O 0.38906781530206 0.77052479679897 0.61456267910720 15.999 > 21 24 O 0.88906781530206 0.77052479679897 0.61456267910720 15.999 > 21 25 O 0.38906781530206 0.47947520320103 0.11456267910720 15.999 > 25 26 O 0.88906781530206 0.47947520320103 0.11456267910720 15.999 > 25 27 O 0.38906781530206 0.97947520320103 0.11456267910720 15.999 > 25 28 O 0.88906781530206 0.97947520320103 0.11456267910720 15.999 > 25 29 O 0.11093218469794 0.22947520320103 0.38543732089280 15.999 > 29 30 O 0.61093218469794 0.22947520320103 0.38543732089280 15.999 > 29 31 O 0.11093218469794 0.72947520320103 0.38543732089280 15.999 > 29 32 O 0.61093218469794 0.72947520320103 0.38543732089280 15.999 > 29 33 O 0.02445111321493 0.01406713984259 0.65349421957178 15.999 > 33 34 O 0.52445111321493 0.01406713984259 0.65349421957178 15.999 > 33 35 O 0.02445111321493 0.51406713984259 0.65349421957178 15.999 > 33 36 O 0.52445111321493 0.51406713984259 0.65349421957178 15.999 > 33 37 O 0.20979200635708 0.24213356809284 0.28295960933812 15.999 > 37 38 O 0.70979200635708 0.24213356809284 0.28295960933812 15.999 > 37 39 O 0.20979200635708 0.74213356809284 0.28295960933812 15.999 > 37 40 O 0.70979200635708 0.74213356809284 0.28295960933812 15.999 > 37 41 O 0.47554888678507 0.48593286015741 0.34650578042822 15.999 > 41 42 O 0.97554888678507 0.48593286015741 0.34650578042822 15.999 > 41 43 O 0.47554888678507 0.98593286015741 0.34650578042822 15.999 > 41 44 O 0.97554888678507 0.98593286015741 0.34650578042822 15.999 > 41 45 O 0.02445111321493 0.23593286015741 0.15349421957178 15.999 > 45 46 O 0.52445111321493 0.23593286015741 0.15349421957178 15.999 > 45 47 O 0.02445111321493 0.73593286015741 0.15349421957178 15.999 > 45 48 O 0.52445111321493 0.73593286015741 0.15349421957178 15.999 > 45 49 O 0.20979200635708 0.00786643190716 0.78295960933812 15.999 > 49 50 O 0.70979200635708 0.00786643190716 0.78295960933812 15.999 > 49 51 O 0.20979200635708 0.50786643190716 0.78295960933812 15.999 > 49 52 O 0.70979200635708 0.50786643190716 0.78295960933812 15.999 > 49 53 O 0.29020799364292 0.25786643190716 0.71704039066188 15.999 > 53 54 O 0.79020799364292 0.25786643190716 0.71704039066188 15.999 > 53 55 O 0.29020799364292 0.75786643190716 0.71704039066188 15.999 > 53 56 O 0.79020799364292 0.75786643190716 0.71704039066188 15.999 > 53 57 O 0.29020799364292 0.49213356809284 0.21704039066188 15.999 > 57 58 O 0.79020799364292 0.49213356809284 0.21704039066188 15.999 > 57 59 O 0.29020799364292 0.99213356809284 0.21704039066188 15.999 > 57 60 O 0.79020799364292 0.99213356809284 0.21704039066188 15.999 > 57 61 O 0.47554888678507 0.26406713984259 0.84650578042822 15.999 > 61 62 O 0.97554888678507 0.26406713984259 0.84650578042822 15.999 > 61 63 O 0.47554888678507 0.76406713984259 0.84650578042822 15.999 > 61 64 O 0.97554888678507 0.76406713984259 0.84650578042822 15.999 > 61 65 As 0.38429300647461 0.43258562183529 0.22563757190552 74.922 > 65 66 As 0.88429300647461 0.43258562183529 0.22563757190552 74.922 > 65 67 As 0.38429300647461 0.93258562183529 0.22563757190552 74.922 > 65 68 As 0.88429300647461 0.93258562183529 0.22563757190552 74.922 > 65 69 As 0.11570699352539 0.06741437816471 0.77436242809448 74.922 > 69 70 As 0.61570699352539 0.06741437816471 0.77436242809448 74.922 > 69 71 As 0.11570699352539 0.56741437816471 0.77436242809448 74.922 > 69 72 As 0.61570699352539 0.56741437816471 0.77436242809448 74.922 > 69 73 As 0.11570699352539 0.18258562183529 0.27436242809448 74.922 > 73 74 As 0.61570699352539 0.18258562183529 0.27436242809448 74.922 > 73 75 As 0.11570699352539 0.68258562183529 0.27436242809448 74.922 > 73 76 As 0.61570699352539 0.68258562183529 0.27436242809448 74.922 > 73 77 As 0.38429300647461 0.31741437816471 0.72563757190552 74.922 > 77 78 As 0.88429300647461 0.31741437816471 0.72563757190552 74.922 > 77 79 As 0.38429300647461 0.81741437816471 0.72563757190552 74.922 > 77 80 As 0.88429300647461 0.81741437816471 0.72563757190552 74.922 > 77 81 Hg 0.27503383550549 0.41988614603402 0.37550872032703 200.590 > 81 82 Hg 0.77503383550549 0.41988614603402 0.37550872032703 200.590 > 81 83 Hg 0.27503383550549 0.91988614603402 0.37550872032703 200.590 > 81 84 Hg 0.77503383550549 0.91988614603402 0.37550872032703 200.590 > 81 85 Hg 0.13748061185470 0.32787841789468 0.96163124712669 200.590 > 85 86 Hg 0.63748061185470 0.32787841789468 0.96163124712669 200.590 > 85 87 Hg 0.13748061185470 0.82787841789468 0.96163124712669 200.590 > 85 88 Hg 0.63748061185470 0.82787841789468 0.96163124712669 200.590 > 85 89 Hg 0.13748061185470 0.42212158210532 0.46163124712669 200.590 > 89 90 Hg 0.63748061185470 0.42212158210532 0.46163124712669 200.590 > 89 91 Hg 0.13748061185470 0.92212158210532 0.46163124712669 200.590 > 89 92 Hg 0.63748061185470 0.92212158210532 0.46163124712669 200.590 > 89 93 Hg 0.36251938814530 0.17212158210532 0.03836875287331 200.590 > 93 94 Hg 0.86251938814530 0.17212158210532 0.03836875287331 200.590 > 93 95 Hg 0.36251938814530 0.67212158210532 0.03836875287331 200.590 > 93 96 Hg 0.86251938814530 0.67212158210532 0.03836875287331 200.590 > 93 97 Hg 0.36251938814530 0.07787841789468 0.53836875287331 200.590 > 97 98 Hg 0.86251938814530 0.07787841789468 0.53836875287331 200.590 > 97 99 Hg 0.36251938814530 0.57787841789468 0.53836875287331 200.590 > 97 100 Hg 0.86251938814530 0.57787841789468 0.53836875287331 200.590 > 97 101 Hg 0.22496616449451 0.16988614603402 0.12449127967296 200.590 > 101 102 Hg 0.72496616449451 0.16988614603402 0.12449127967296 200.590 > 101 103 Hg 0.22496616449451 0.66988614603402 0.12449127967296 200.590 > 101 104 Hg 0.72496616449451 0.66988614603402 0.12449127967296 200.590 > 101 105 Hg 0.22496616449451 0.08011385396598 0.62449127967297 200.590 > 105 106 Hg 0.72496616449451 0.08011385396598 0.62449127967297 200.590 > 105 107 Hg 0.22496616449451 0.58011385396598 0.62449127967297 200.590 > 105 108 Hg 0.72496616449451 0.58011385396598 0.62449127967297 200.590 > 105 109 Hg 0.27503383550549 0.33011385396598 0.87550872032703 200.590 > 109 110 Hg 0.77503383550549 0.33011385396598 0.87550872032703 200.590 > 109 111 Hg 0.27503383550549 0.83011385396598 0.87550872032703 200.590 > 109 112 Hg 0.77503383550549 0.83011385396598 0.87550872032703 200.590 > 109 113 Hg 0.01847943029326 0.32512727094869 0.58117712674992 200.590 > 113 114 Hg 0.51847943029326 0.32512727094869 0.58117712674992 200.590 > 113 115 Hg 0.01847943029326 0.82512727094869 0.58117712674992 200.590 > 113 116 Hg 0.51847943029326 0.82512727094869 0.58117712674992 200.590 > 113 117 Hg 0.48152056970674 0.07512727094869 0.91882287325008 200.590 > 117 118 Hg 0.98152056970674 0.07512727094869 0.91882287325008 200.590 > 117 119 Hg 0.48152056970674 0.57512727094869 0.91882287325008 200.590 > 117 120 Hg 0.98152056970674 0.57512727094869 0.91882287325008 200.590 > 117 121 Hg 0.48152056970674 0.17487272905131 0.41882287325008 200.590 > 121 122 Hg 0.98152056970674 0.17487272905131 0.41882287325008 200.590 > 121 123 Hg 0.48152056970674 0.67487272905131 0.41882287325008 200.590 > 121 124 Hg 0.98152056970674 0.67487272905131 0.41882287325008 200.590 > 121 125 Hg 0.01847943029326 0.42487272905131 0.08117712674992 200.590 > 125 126 Hg 0.51847943029326 0.42487272905131 0.08117712674992 200.590 > 125 127 Hg 0.01847943029326 0.92487272905131 0.08117712674992 200.590 > 125 128 Hg 0.51847943029326 0.92487272905131 0.08117712674992 200.590 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.6147674 0.0000000 0.0146261 0.0000000 5.9642944 0.0000000 0.0146260 0.0000000 6.9533980 -------------------------- Born effective charges -------------------------- 1 O -1.4305447 -0.2329617 -0.1989659 -0.2075628 -2.8286759 -0.0357189 -0.2775442 -0.0312449 -2.7112353 2 O -1.4305447 0.2329617 -0.1989659 0.2075628 -2.8286759 0.0357189 -0.2775442 0.0312449 -2.7112353 3 O -1.4305447 -0.2329617 -0.1989659 -0.2075628 -2.8286759 -0.0357189 -0.2775442 -0.0312449 -2.7112353 4 O -1.4305447 0.2329617 -0.1989659 0.2075628 -2.8286759 0.0357189 -0.2775442 0.0312449 -2.7112353 5 O -1.9266483 -0.2771936 0.8387695 -0.3537577 -2.2749556 0.7881551 1.0727940 0.9483848 -2.5840650 6 O -1.9266483 0.2771936 0.8387695 0.3537577 -2.2749556 -0.7881551 1.0727940 -0.9483848 -2.5840650 7 O -1.9266483 -0.2771936 0.8387695 -0.3537577 -2.2749556 0.7881551 1.0727940 0.9483848 -2.5840650 8 O -1.9266483 0.2771936 0.8387695 0.3537577 -2.2749556 -0.7881551 1.0727940 -0.9483848 -2.5840650 9 O -1.5690449 -0.0958113 -0.6552852 -0.0033815 -2.3318179 -0.8430106 -0.8061180 -1.0463609 -2.9653297 10 O -2.5520612 -0.5231688 0.1345166 -0.9207026 -2.2335760 -0.6042565 -0.1514641 -0.8450487 -2.0787991 11 O -1.5690449 -0.0958113 -0.6552852 -0.0033815 -2.3318179 -0.8430106 -0.8061180 -1.0463609 -2.9653297 12 O -1.5690449 0.0958113 -0.6552852 0.0033815 -2.3318179 0.8430106 -0.8061180 1.0463609 -2.9653297 13 O -2.5520612 0.5231688 0.1345166 0.9207026 -2.2335760 0.6042565 -0.1514641 0.8450487 -2.0787991 14 O -2.5520612 -0.5231688 0.1345166 -0.9207026 -2.2335760 -0.6042565 -0.1514641 -0.8450487 -2.0787991 15 O -2.5520612 0.5231688 0.1345166 0.9207026 -2.2335760 0.6042565 -0.1514641 0.8450487 -2.0787991 16 O -1.5690449 0.0958113 -0.6552852 0.0033815 -2.3318179 0.8430106 -0.8061180 1.0463609 -2.9653297 17 As 3.6840972 0.3449112 -0.2799171 0.1230721 3.7774223 0.2449243 0.1413612 0.4030288 4.3529492 18 As 3.6840972 0.3449112 -0.2799171 0.1230721 3.7774223 0.2449243 0.1413612 0.4030288 4.3529492 19 As 3.6840972 -0.3449112 -0.2799171 -0.1230721 3.7774223 -0.2449243 0.1413612 -0.4030288 4.3529492 20 As 3.6840972 -0.3449112 -0.2799171 -0.1230721 3.7774223 -0.2449243 0.1413612 -0.4030288 4.3529492 21 Hg 1.2454888 0.3695338 0.0547555 0.1427040 1.8737724 0.0754615 0.1675531 0.3412344 2.1116929 22 Hg 1.4211311 0.0515134 0.2493674 0.0165254 1.9915205 0.0246880 0.1174848 -0.4438531 1.8102212 23 Hg 1.4211311 -0.0515134 0.2493674 -0.0165254 1.9915205 -0.0246880 0.1174848 0.4438531 1.8102212 24 Hg 1.4211311 0.0515134 0.2493674 0.0165254 1.9915205 0.0246880 0.1174848 -0.4438531 1.8102212 25 Hg 1.4211311 -0.0515134 0.2493674 -0.0165254 1.9915205 -0.0246880 0.1174848 0.4438531 1.8102212 26 Hg 1.2454888 -0.3695338 0.0547555 -0.1427040 1.8737724 -0.0754615 0.1675531 -0.3412344 2.1116929 27 Hg 1.2454888 0.3695338 0.0547555 0.1427040 1.8737724 0.0754615 0.1675531 0.3412344 2.1116929 28 Hg 1.2454888 -0.3695338 0.0547555 -0.1427040 1.8737724 -0.0754615 0.1675531 -0.3412344 2.1116929 29 Hg 1.1275822 -0.1714905 -0.1432409 -0.1388802 2.0263102 -0.1663197 -0.2640668 0.1958231 2.0645658 30 Hg 1.1275822 0.1714905 -0.1432409 0.1388802 2.0263102 0.1663197 -0.2640668 -0.1958231 2.0645658 31 Hg 1.1275822 -0.1714905 -0.1432409 -0.1388802 2.0263102 -0.1663197 -0.2640668 0.1958231 2.0645658 32 Hg 1.1275822 0.1714905 -0.1432409 0.1388802 2.0263102 0.1663197 -0.2640668 -0.1958231 2.0645658 ---------------------------------------------------------------------------- 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 85, 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] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0054 0.0000 0.0084] [ 0.0054 0.0000 -0.0084] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (yz) -0.00000002 (yz) 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 2026-01-07 20:14:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:14:11]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 8.884106520590720 0.000000000000000 0.000000000000000 b 0.000000000000000 5.147474460000001 0.000000000000000 c -7.659699237462315 0.000000000000000 12.080212880459035 Atomic positions (fractional): 1 O 0.23565129320128 0.46406099601691 0.77076544942073 15.999 2 O 0.76434870679872 0.96406099601691 0.72923455057927 15.999 3 O 0.76434870679872 0.53593900398309 0.22923455057927 15.999 4 O 0.23565129320128 0.03593900398309 0.27076544942073 15.999 5 O 0.22186436939588 0.04104959359795 0.88543732089280 15.999 6 O 0.77813563060411 0.54104959359795 0.61456267910720 15.999 7 O 0.77813563060411 0.95895040640205 0.11456267910720 15.999 8 O 0.22186436939588 0.45895040640205 0.38543732089280 15.999 9 O 0.04890222642985 0.02813427968518 0.65349421957178 15.999 10 O 0.41958401271416 0.48426713618567 0.28295960933812 15.999 11 O 0.95109777357015 0.97186572031482 0.34650578042822 15.999 12 O 0.04890222642985 0.47186572031482 0.15349421957178 15.999 13 O 0.41958401271416 0.01573286381433 0.78295960933812 15.999 14 O 0.58041598728584 0.51573286381433 0.71704039066188 15.999 15 O 0.58041598728584 0.98426713618567 0.21704039066188 15.999 16 O 0.95109777357015 0.52813427968518 0.84650578042822 15.999 17 As 0.76858601294922 0.86517124367057 0.22563757190552 74.922 18 As 0.23141398705078 0.13482875632943 0.77436242809448 74.922 19 As 0.23141398705078 0.36517124367057 0.27436242809448 74.922 20 As 0.76858601294922 0.63482875632943 0.72563757190552 74.922 21 Hg 0.55006767101099 0.83977229206804 0.37550872032703 200.590 22 Hg 0.27496122370940 0.65575683578937 0.96163124712669 200.590 23 Hg 0.27496122370940 0.84424316421063 0.46163124712669 200.590 24 Hg 0.72503877629060 0.34424316421063 0.03836875287331 200.590 25 Hg 0.72503877629060 0.15575683578937 0.53836875287331 200.590 26 Hg 0.44993232898901 0.33977229206804 0.12449127967296 200.590 27 Hg 0.44993232898901 0.16022770793196 0.62449127967297 200.590 28 Hg 0.55006767101099 0.66022770793196 0.87550872032703 200.590 29 Hg 0.03695886058652 0.65025454189738 0.58117712674992 200.590 30 Hg 0.96304113941348 0.15025454189738 0.91882287325008 200.590 31 Hg 0.96304113941348 0.34974545810262 0.41882287325008 200.590 32 Hg 0.03695886058652 0.84974545810262 0.08117712674992 200.590 -------------------------------- supercell --------------------------------- Lattice vectors: a 17.768213041181440 0.000000000000000 0.000000000000000 b 0.000000000000000 10.294948920000001 0.000000000000000 c -7.659699237462315 0.000000000000000 12.080212880459035 Atomic positions (fractional): 1 O 0.11782564660064 0.23203049800845 0.77076544942073 15.999 > 1 2 O 0.61782564660064 0.23203049800845 0.77076544942073 15.999 > 1 3 O 0.11782564660064 0.73203049800845 0.77076544942073 15.999 > 1 4 O 0.61782564660064 0.73203049800845 0.77076544942073 15.999 > 1 5 O 0.38217435339936 0.48203049800845 0.72923455057927 15.999 > 5 6 O 0.88217435339936 0.48203049800845 0.72923455057927 15.999 > 5 7 O 0.38217435339936 0.98203049800845 0.72923455057927 15.999 > 5 8 O 0.88217435339936 0.98203049800845 0.72923455057927 15.999 > 5 9 O 0.38217435339936 0.26796950199155 0.22923455057927 15.999 > 9 10 O 0.88217435339936 0.26796950199155 0.22923455057927 15.999 > 9 11 O 0.38217435339936 0.76796950199155 0.22923455057927 15.999 > 9 12 O 0.88217435339936 0.76796950199155 0.22923455057927 15.999 > 9 13 O 0.11782564660064 0.01796950199155 0.27076544942073 15.999 > 13 14 O 0.61782564660064 0.01796950199155 0.27076544942073 15.999 > 13 15 O 0.11782564660064 0.51796950199155 0.27076544942073 15.999 > 13 16 O 0.61782564660064 0.51796950199155 0.27076544942073 15.999 > 13 17 O 0.11093218469794 0.02052479679897 0.88543732089280 15.999 > 17 18 O 0.61093218469794 0.02052479679897 0.88543732089280 15.999 > 17 19 O 0.11093218469794 0.52052479679897 0.88543732089280 15.999 > 17 20 O 0.61093218469794 0.52052479679897 0.88543732089280 15.999 > 17 21 O 0.38906781530206 0.27052479679897 0.61456267910720 15.999 > 21 22 O 0.88906781530206 0.27052479679897 0.61456267910720 15.999 > 21 23 O 0.38906781530206 0.77052479679897 0.61456267910720 15.999 > 21 24 O 0.88906781530206 0.77052479679897 0.61456267910720 15.999 > 21 25 O 0.38906781530206 0.47947520320103 0.11456267910720 15.999 > 25 26 O 0.88906781530206 0.47947520320103 0.11456267910720 15.999 > 25 27 O 0.38906781530206 0.97947520320103 0.11456267910720 15.999 > 25 28 O 0.88906781530206 0.97947520320103 0.11456267910720 15.999 > 25 29 O 0.11093218469794 0.22947520320103 0.38543732089280 15.999 > 29 30 O 0.61093218469794 0.22947520320103 0.38543732089280 15.999 > 29 31 O 0.11093218469794 0.72947520320103 0.38543732089280 15.999 > 29 32 O 0.61093218469794 0.72947520320103 0.38543732089280 15.999 > 29 33 O 0.02445111321493 0.01406713984259 0.65349421957178 15.999 > 33 34 O 0.52445111321493 0.01406713984259 0.65349421957178 15.999 > 33 35 O 0.02445111321493 0.51406713984259 0.65349421957178 15.999 > 33 36 O 0.52445111321493 0.51406713984259 0.65349421957178 15.999 > 33 37 O 0.20979200635708 0.24213356809284 0.28295960933812 15.999 > 37 38 O 0.70979200635708 0.24213356809284 0.28295960933812 15.999 > 37 39 O 0.20979200635708 0.74213356809284 0.28295960933812 15.999 > 37 40 O 0.70979200635708 0.74213356809284 0.28295960933812 15.999 > 37 41 O 0.47554888678507 0.48593286015741 0.34650578042822 15.999 > 41 42 O 0.97554888678507 0.48593286015741 0.34650578042822 15.999 > 41 43 O 0.47554888678507 0.98593286015741 0.34650578042822 15.999 > 41 44 O 0.97554888678507 0.98593286015741 0.34650578042822 15.999 > 41 45 O 0.02445111321493 0.23593286015741 0.15349421957178 15.999 > 45 46 O 0.52445111321493 0.23593286015741 0.15349421957178 15.999 > 45 47 O 0.02445111321493 0.73593286015741 0.15349421957178 15.999 > 45 48 O 0.52445111321493 0.73593286015741 0.15349421957178 15.999 > 45 49 O 0.20979200635708 0.00786643190716 0.78295960933812 15.999 > 49 50 O 0.70979200635708 0.00786643190716 0.78295960933812 15.999 > 49 51 O 0.20979200635708 0.50786643190716 0.78295960933812 15.999 > 49 52 O 0.70979200635708 0.50786643190716 0.78295960933812 15.999 > 49 53 O 0.29020799364292 0.25786643190716 0.71704039066188 15.999 > 53 54 O 0.79020799364292 0.25786643190716 0.71704039066188 15.999 > 53 55 O 0.29020799364292 0.75786643190716 0.71704039066188 15.999 > 53 56 O 0.79020799364292 0.75786643190716 0.71704039066188 15.999 > 53 57 O 0.29020799364292 0.49213356809284 0.21704039066188 15.999 > 57 58 O 0.79020799364292 0.49213356809284 0.21704039066188 15.999 > 57 59 O 0.29020799364292 0.99213356809284 0.21704039066188 15.999 > 57 60 O 0.79020799364292 0.99213356809284 0.21704039066188 15.999 > 57 61 O 0.47554888678507 0.26406713984259 0.84650578042822 15.999 > 61 62 O 0.97554888678507 0.26406713984259 0.84650578042822 15.999 > 61 63 O 0.47554888678507 0.76406713984259 0.84650578042822 15.999 > 61 64 O 0.97554888678507 0.76406713984259 0.84650578042822 15.999 > 61 65 As 0.38429300647461 0.43258562183529 0.22563757190552 74.922 > 65 66 As 0.88429300647461 0.43258562183529 0.22563757190552 74.922 > 65 67 As 0.38429300647461 0.93258562183529 0.22563757190552 74.922 > 65 68 As 0.88429300647461 0.93258562183529 0.22563757190552 74.922 > 65 69 As 0.11570699352539 0.06741437816471 0.77436242809448 74.922 > 69 70 As 0.61570699352539 0.06741437816471 0.77436242809448 74.922 > 69 71 As 0.11570699352539 0.56741437816471 0.77436242809448 74.922 > 69 72 As 0.61570699352539 0.56741437816471 0.77436242809448 74.922 > 69 73 As 0.11570699352539 0.18258562183529 0.27436242809448 74.922 > 73 74 As 0.61570699352539 0.18258562183529 0.27436242809448 74.922 > 73 75 As 0.11570699352539 0.68258562183529 0.27436242809448 74.922 > 73 76 As 0.61570699352539 0.68258562183529 0.27436242809448 74.922 > 73 77 As 0.38429300647461 0.31741437816471 0.72563757190552 74.922 > 77 78 As 0.88429300647461 0.31741437816471 0.72563757190552 74.922 > 77 79 As 0.38429300647461 0.81741437816471 0.72563757190552 74.922 > 77 80 As 0.88429300647461 0.81741437816471 0.72563757190552 74.922 > 77 81 Hg 0.27503383550549 0.41988614603402 0.37550872032703 200.590 > 81 82 Hg 0.77503383550549 0.41988614603402 0.37550872032703 200.590 > 81 83 Hg 0.27503383550549 0.91988614603402 0.37550872032703 200.590 > 81 84 Hg 0.77503383550549 0.91988614603402 0.37550872032703 200.590 > 81 85 Hg 0.13748061185470 0.32787841789468 0.96163124712669 200.590 > 85 86 Hg 0.63748061185470 0.32787841789468 0.96163124712669 200.590 > 85 87 Hg 0.13748061185470 0.82787841789468 0.96163124712669 200.590 > 85 88 Hg 0.63748061185470 0.82787841789468 0.96163124712669 200.590 > 85 89 Hg 0.13748061185470 0.42212158210532 0.46163124712669 200.590 > 89 90 Hg 0.63748061185470 0.42212158210532 0.46163124712669 200.590 > 89 91 Hg 0.13748061185470 0.92212158210532 0.46163124712669 200.590 > 89 92 Hg 0.63748061185470 0.92212158210532 0.46163124712669 200.590 > 89 93 Hg 0.36251938814530 0.17212158210532 0.03836875287331 200.590 > 93 94 Hg 0.86251938814530 0.17212158210532 0.03836875287331 200.590 > 93 95 Hg 0.36251938814530 0.67212158210532 0.03836875287331 200.590 > 93 96 Hg 0.86251938814530 0.67212158210532 0.03836875287331 200.590 > 93 97 Hg 0.36251938814530 0.07787841789468 0.53836875287331 200.590 > 97 98 Hg 0.86251938814530 0.07787841789468 0.53836875287331 200.590 > 97 99 Hg 0.36251938814530 0.57787841789468 0.53836875287331 200.590 > 97 100 Hg 0.86251938814530 0.57787841789468 0.53836875287331 200.590 > 97 101 Hg 0.22496616449451 0.16988614603402 0.12449127967296 200.590 > 101 102 Hg 0.72496616449451 0.16988614603402 0.12449127967296 200.590 > 101 103 Hg 0.22496616449451 0.66988614603402 0.12449127967296 200.590 > 101 104 Hg 0.72496616449451 0.66988614603402 0.12449127967296 200.590 > 101 105 Hg 0.22496616449451 0.08011385396598 0.62449127967297 200.590 > 105 106 Hg 0.72496616449451 0.08011385396598 0.62449127967297 200.590 > 105 107 Hg 0.22496616449451 0.58011385396598 0.62449127967297 200.590 > 105 108 Hg 0.72496616449451 0.58011385396598 0.62449127967297 200.590 > 105 109 Hg 0.27503383550549 0.33011385396598 0.87550872032703 200.590 > 109 110 Hg 0.77503383550549 0.33011385396598 0.87550872032703 200.590 > 109 111 Hg 0.27503383550549 0.83011385396598 0.87550872032703 200.590 > 109 112 Hg 0.77503383550549 0.83011385396598 0.87550872032703 200.590 > 109 113 Hg 0.01847943029326 0.32512727094869 0.58117712674992 200.590 > 113 114 Hg 0.51847943029326 0.32512727094869 0.58117712674992 200.590 > 113 115 Hg 0.01847943029326 0.82512727094869 0.58117712674992 200.590 > 113 116 Hg 0.51847943029326 0.82512727094869 0.58117712674992 200.590 > 113 117 Hg 0.48152056970674 0.07512727094869 0.91882287325008 200.590 > 117 118 Hg 0.98152056970674 0.07512727094869 0.91882287325008 200.590 > 117 119 Hg 0.48152056970674 0.57512727094869 0.91882287325008 200.590 > 117 120 Hg 0.98152056970674 0.57512727094869 0.91882287325008 200.590 > 117 121 Hg 0.48152056970674 0.17487272905131 0.41882287325008 200.590 > 121 122 Hg 0.98152056970674 0.17487272905131 0.41882287325008 200.590 > 121 123 Hg 0.48152056970674 0.67487272905131 0.41882287325008 200.590 > 121 124 Hg 0.98152056970674 0.67487272905131 0.41882287325008 200.590 > 121 125 Hg 0.01847943029326 0.42487272905131 0.08117712674992 200.590 > 125 126 Hg 0.51847943029326 0.42487272905131 0.08117712674992 200.590 > 125 127 Hg 0.01847943029326 0.92487272905131 0.08117712674992 200.590 > 125 128 Hg 0.51847943029326 0.92487272905131 0.08117712674992 200.590 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.6147674 0.0000000 0.0146261 0.0000000 5.9642944 0.0000000 0.0146260 0.0000000 6.9533980 -------------------------- Born effective charges -------------------------- 1 O -1.4305447 -0.2329617 -0.1989659 -0.2075628 -2.8286759 -0.0357189 -0.2775442 -0.0312449 -2.7112353 2 O -1.4305447 0.2329617 -0.1989659 0.2075628 -2.8286759 0.0357189 -0.2775442 0.0312449 -2.7112353 3 O -1.4305447 -0.2329617 -0.1989659 -0.2075628 -2.8286759 -0.0357189 -0.2775442 -0.0312449 -2.7112353 4 O -1.4305447 0.2329617 -0.1989659 0.2075628 -2.8286759 0.0357189 -0.2775442 0.0312449 -2.7112353 5 O -1.9266483 -0.2771936 0.8387695 -0.3537577 -2.2749556 0.7881551 1.0727940 0.9483848 -2.5840650 6 O -1.9266483 0.2771936 0.8387695 0.3537577 -2.2749556 -0.7881551 1.0727940 -0.9483848 -2.5840650 7 O -1.9266483 -0.2771936 0.8387695 -0.3537577 -2.2749556 0.7881551 1.0727940 0.9483848 -2.5840650 8 O -1.9266483 0.2771936 0.8387695 0.3537577 -2.2749556 -0.7881551 1.0727940 -0.9483848 -2.5840650 9 O -1.5690449 -0.0958113 -0.6552852 -0.0033815 -2.3318179 -0.8430106 -0.8061180 -1.0463609 -2.9653297 10 O -2.5520612 -0.5231688 0.1345166 -0.9207026 -2.2335760 -0.6042565 -0.1514641 -0.8450487 -2.0787991 11 O -1.5690449 -0.0958113 -0.6552852 -0.0033815 -2.3318179 -0.8430106 -0.8061180 -1.0463609 -2.9653297 12 O -1.5690449 0.0958113 -0.6552852 0.0033815 -2.3318179 0.8430106 -0.8061180 1.0463609 -2.9653297 13 O -2.5520612 0.5231688 0.1345166 0.9207026 -2.2335760 0.6042565 -0.1514641 0.8450487 -2.0787991 14 O -2.5520612 -0.5231688 0.1345166 -0.9207026 -2.2335760 -0.6042565 -0.1514641 -0.8450487 -2.0787991 15 O -2.5520612 0.5231688 0.1345166 0.9207026 -2.2335760 0.6042565 -0.1514641 0.8450487 -2.0787991 16 O -1.5690449 0.0958113 -0.6552852 0.0033815 -2.3318179 0.8430106 -0.8061180 1.0463609 -2.9653297 17 As 3.6840972 0.3449112 -0.2799171 0.1230721 3.7774223 0.2449243 0.1413612 0.4030288 4.3529492 18 As 3.6840972 0.3449112 -0.2799171 0.1230721 3.7774223 0.2449243 0.1413612 0.4030288 4.3529492 19 As 3.6840972 -0.3449112 -0.2799171 -0.1230721 3.7774223 -0.2449243 0.1413612 -0.4030288 4.3529492 20 As 3.6840972 -0.3449112 -0.2799171 -0.1230721 3.7774223 -0.2449243 0.1413612 -0.4030288 4.3529492 21 Hg 1.2454888 0.3695338 0.0547555 0.1427040 1.8737724 0.0754615 0.1675531 0.3412344 2.1116929 22 Hg 1.4211311 0.0515134 0.2493674 0.0165254 1.9915205 0.0246880 0.1174848 -0.4438531 1.8102212 23 Hg 1.4211311 -0.0515134 0.2493674 -0.0165254 1.9915205 -0.0246880 0.1174848 0.4438531 1.8102212 24 Hg 1.4211311 0.0515134 0.2493674 0.0165254 1.9915205 0.0246880 0.1174848 -0.4438531 1.8102212 25 Hg 1.4211311 -0.0515134 0.2493674 -0.0165254 1.9915205 -0.0246880 0.1174848 0.4438531 1.8102212 26 Hg 1.2454888 -0.3695338 0.0547555 -0.1427040 1.8737724 -0.0754615 0.1675531 -0.3412344 2.1116929 27 Hg 1.2454888 0.3695338 0.0547555 0.1427040 1.8737724 0.0754615 0.1675531 0.3412344 2.1116929 28 Hg 1.2454888 -0.3695338 0.0547555 -0.1427040 1.8737724 -0.0754615 0.1675531 -0.3412344 2.1116929 29 Hg 1.1275822 -0.1714905 -0.1432409 -0.1388802 2.0263102 -0.1663197 -0.2640668 0.1958231 2.0645658 30 Hg 1.1275822 0.1714905 -0.1432409 0.1388802 2.0263102 0.1663197 -0.2640668 -0.1958231 2.0645658 31 Hg 1.1275822 -0.1714905 -0.1432409 -0.1388802 2.0263102 -0.1663197 -0.2640668 0.1958231 2.0645658 32 Hg 1.1275822 0.1714905 -0.1432409 0.1388802 2.0263102 0.1663197 -0.2640668 -0.1958231 2.0645658 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (yyy) 0.00000002 (yyy) 0.00000002 (yyy) Max drift of fc2: 0.00000000 (zz) 0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 10 4 ] 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: 305, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/90) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.710 ( 0.000 0.000 0.000) 0.000 0.797 ( 0.000 0.000 0.000) 0.000 0.800 ( 0.000 0.000 0.000) 0.000 0.836 ( 0.000 0.000 0.000) 0.000 0.928 ( 0.000 0.000 0.000) 0.000 0.942 ( 0.000 0.000 0.000) 0.000 0.954 ( 0.000 0.000 0.000) 0.000 1.046 ( 0.000 0.000 0.000) 0.000 1.110 ( 0.000 0.000 0.000) 0.000 1.134 ( 0.000 0.000 0.000) 0.000 1.147 ( 0.000 0.000 0.000) 0.000 1.181 ( 0.000 0.000 0.000) 0.000 1.254 ( 0.000 0.000 0.000) 0.000 1.259 ( 0.000 0.000 0.000) 0.000 1.281 ( 0.000 0.000 0.000) 0.000 1.428 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.512 ( 0.000 0.000 0.000) 0.000 1.562 ( 0.000 0.000 0.000) 0.000 1.585 ( 0.000 0.000 0.000) 0.000 1.597 ( 0.000 0.000 0.000) 0.000 1.697 ( 0.000 0.000 0.000) 0.000 1.701 ( 0.000 0.000 0.000) 0.000 1.746 ( 0.000 0.000 0.000) 0.000 1.956 ( 0.000 0.000 0.000) 0.000 1.979 ( 0.000 0.000 0.000) 0.000 2.135 ( 0.000 0.000 0.000) 0.000 2.686 ( 0.000 0.000 0.000) 0.000 2.728 ( 0.000 0.000 0.000) 0.000 2.838 ( 0.000 0.000 0.000) 0.000 3.023 ( 0.000 0.000 0.000) 0.000 3.198 ( 0.000 0.000 0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.258 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.602 ( 0.000 0.000 0.000) 0.000 3.651 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 0.000 0.000) 0.000 3.748 ( 0.000 0.000 0.000) 0.000 4.221 ( 0.000 0.000 0.000) 0.000 4.346 ( 0.000 0.000 0.000) 0.000 4.906 ( 0.000 0.000 0.000) 0.000 4.927 ( 0.000 0.000 0.000) 0.000 4.956 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.660 ( 0.000 0.000 0.000) 0.000 6.321 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.496 ( 0.000 0.000 0.000) 0.000 6.650 ( 0.000 0.000 0.000) 0.000 6.698 ( 0.000 0.000 0.000) 0.000 6.711 ( 0.000 0.000 0.000) 0.000 6.858 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.355 ( 0.000 0.000 0.000) 0.000 8.305 ( 0.000 0.000 0.000) 0.000 8.362 ( 0.000 0.000 0.000) 0.000 8.515 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 9.596 ( 0.000 0.000 0.000) 0.000 9.848 ( 0.000 0.000 0.000) 0.000 10.072 ( 0.000 0.000 0.000) 0.000 10.303 ( 0.000 0.000 0.000) 0.000 11.538 ( 0.000 0.000 0.000) 0.000 11.579 ( 0.000 0.000 0.000) 0.000 11.624 ( 0.000 0.000 0.000) 0.000 11.786 ( 0.000 0.000 0.000) 0.000 12.309 ( 0.000 0.000 0.000) 0.000 12.316 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.496 ( 0.000 0.000 0.000) 0.000 12.545 ( 0.000 0.000 0.000) 0.000 12.688 ( 0.000 0.000 0.000) 0.000 12.733 ( 0.000 0.000 0.000) 0.000 13.082 ( 0.000 0.000 0.000) 0.000 20.701 ( 0.000 0.000 0.000) 0.000 20.724 ( 0.000 0.000 0.000) 0.000 21.076 ( 0.000 0.000 0.000) 0.000 21.187 ( 0.000 0.000 0.000) 0.000 21.421 ( 0.000 0.000 0.000) 0.000 21.503 ( 0.000 0.000 0.000) 0.000 21.629 ( 0.000 0.000 0.000) 0.000 21.658 ( 0.000 0.000 0.000) 0.000 21.692 ( 0.000 0.000 0.000) 0.000 21.927 ( 0.000 0.000 0.000) 0.000 22.100 ( 0.000 0.000 0.000) 0.000 22.747 ( 0.000 0.000 0.000) 0.000 22.787 ( 0.000 0.000 0.000) 0.000 22.861 ( 0.000 0.000 0.000) 0.000 22.887 ( 0.000 0.000 0.000) 0.000 23.080 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/90) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.206 ( 6.990 0.000 8.888) 11.308 0.286 ( 7.753 0.000 14.605) 16.536 0.397 ( 16.338 0.000 10.341) 19.336 0.658 ( -3.169 0.000 -3.187) 4.494 0.780 ( -1.633 0.000 2.193) 2.734 0.819 ( -2.579 0.000 1.167) 2.831 0.832 ( 3.355 0.000 -2.204) 4.014 0.883 ( -4.657 0.000 0.664) 4.704 0.943 ( -2.224 0.000 0.792) 2.360 0.975 ( 0.809 0.000 -0.542) 0.974 1.042 ( -0.103 0.000 -0.548) 0.557 1.107 ( 0.598 0.000 -0.945) 1.118 1.140 ( 0.271 0.000 0.621) 0.678 1.197 ( 1.462 0.000 0.456) 1.531 1.204 ( 3.703 0.000 3.066) 4.807 1.262 ( -0.309 0.000 1.455) 1.488 1.274 ( 2.432 0.000 -0.494) 2.481 1.286 ( 0.175 0.000 0.174) 0.247 1.394 ( -4.180 0.000 -0.015) 4.180 1.445 ( 0.156 0.000 -1.584) 1.592 1.529 ( 1.904 0.000 -0.731) 2.040 1.545 ( -2.410 0.000 0.323) 2.432 1.576 ( -0.125 0.000 -0.132) 0.182 1.595 ( -0.797 0.000 -1.043) 1.313 1.699 ( 0.857 0.000 -1.308) 1.564 1.710 ( -0.036 0.000 0.780) 0.781 1.779 ( 2.810 0.000 1.734) 3.302 1.928 ( -3.703 0.000 1.013) 3.839 2.039 ( 1.974 0.000 -3.119) 3.691 2.106 ( -0.699 0.000 -4.514) 4.568 2.715 ( 3.058 0.000 0.527) 3.104 2.717 ( 0.002 0.000 -1.866) 1.866 3.007 ( 1.179 0.000 -5.095) 5.230 3.070 ( 9.729 0.000 -15.917) 18.655 3.202 ( 1.858 0.000 -1.489) 2.381 3.243 ( 0.482 0.000 0.685) 0.838 3.309 ( 2.353 0.000 1.954) 3.058 3.583 ( 2.541 0.000 -11.254) 11.538 3.586 ( -0.850 0.000 -0.940) 1.267 3.612 ( -2.095 0.000 -1.165) 2.397 3.729 ( -10.731 0.000 15.331) 18.713 3.768 ( -1.594 0.000 5.609) 5.831 4.249 ( 2.159 0.000 1.734) 2.770 4.328 ( -1.121 0.000 -1.594) 1.949 4.900 ( -1.213 0.000 -3.009) 3.244 4.908 ( 0.254 0.000 -0.651) 0.699 4.949 ( -0.856 0.000 -4.350) 4.433 4.967 ( 0.489 0.000 0.990) 1.104 5.454 ( 1.340 0.000 8.727) 8.829 5.720 ( -5.337 0.000 8.302) 9.869 6.308 ( 0.861 0.000 -3.759) 3.856 6.437 ( -1.777 0.000 -7.078) 7.298 6.499 ( 3.057 0.000 1.090) 3.245 6.536 ( -5.104 0.000 -7.390) 8.981 6.740 ( 2.386 0.000 3.193) 3.986 6.949 ( -6.480 0.000 12.129) 13.752 6.983 ( 4.952 0.000 8.342) 9.701 7.111 ( 0.366 0.000 -2.448) 2.475 7.142 ( -1.576 0.000 0.006) 1.576 7.331 ( -2.614 0.000 -3.365) 4.261 8.309 ( 1.729 0.000 -3.845) 4.216 8.367 ( 0.512 0.000 0.146) 0.533 8.547 ( 1.954 0.000 2.534) 3.200 8.612 ( -0.316 0.000 -1.109) 1.153 9.850 ( -2.514 0.000 4.279) 4.963 10.001 ( -14.744 0.000 12.537) 19.354 10.075 ( 2.238 0.000 -2.959) 3.710 10.357 ( 0.249 0.000 7.311) 7.315 11.575 ( -0.375 0.000 0.060) 0.380 11.578 ( -4.123 0.000 7.274) 8.361 11.624 ( 0.175 0.000 -0.227) 0.286 11.770 ( -1.354 0.000 -0.844) 1.595 12.312 ( 0.169 0.000 0.516) 0.543 12.326 ( 1.174 0.000 0.060) 1.175 12.469 ( -1.066 0.000 2.243) 2.483 12.558 ( 1.259 0.000 0.073) 1.261 12.687 ( -0.410 0.000 0.576) 0.707 12.699 ( -2.650 0.000 -1.558) 3.074 12.780 ( 2.380 0.000 -4.435) 5.033 13.097 ( -0.219 0.000 2.556) 2.566 20.705 ( 1.347 0.000 -1.269) 1.850 21.071 ( 0.030 0.000 -0.883) 0.883 21.186 ( -0.567 0.000 0.750) 0.941 21.233 ( 5.567 0.000 -6.119) 8.272 21.420 ( -0.243 0.000 0.290) 0.379 21.627 ( 0.240 0.000 -1.192) 1.216 21.644 ( -1.153 0.000 -0.855) 1.436 21.682 ( -0.831 0.000 -0.268) 0.873 21.902 ( 13.447 0.000 -19.505) 23.691 22.030 ( -3.525 0.000 -7.690) 8.459 22.289 ( -31.407 0.000 50.753) 59.685 22.788 ( 0.198 0.000 0.068) 0.210 22.807 ( 0.518 0.000 -0.798) 0.951 22.866 ( -0.115 0.000 0.706) 0.715 22.878 ( -1.138 0.000 -0.062) 1.140 23.095 ( -2.305 0.000 6.545) 6.939 ======================= Grid point 2 (3/90) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.398 ( 6.549 0.000 6.773) 9.421 0.503 ( 2.609 0.000 4.732) 5.404 0.613 ( 0.895 0.000 4.960) 5.040 0.704 ( 10.690 0.000 4.739) 11.694 0.782 ( -1.649 0.000 2.494) 2.989 0.795 ( -1.986 0.000 2.525) 3.213 0.816 ( -3.554 0.000 -0.141) 3.557 0.862 ( 3.769 0.000 -2.627) 4.594 0.908 ( -1.399 0.000 -0.380) 1.449 0.973 ( 0.049 0.000 -1.023) 1.025 1.021 ( -1.066 0.000 -1.737) 2.038 1.118 ( 0.387 0.000 1.240) 1.299 1.151 ( 0.461 0.000 -0.103) 0.473 1.210 ( -0.040 0.000 -0.417) 0.419 1.254 ( -0.373 0.000 0.650) 0.750 1.283 ( 0.489 0.000 0.444) 0.661 1.316 ( 1.094 0.000 4.379) 4.514 1.317 ( 3.684 0.000 -1.245) 3.889 1.369 ( -0.416 0.000 4.117) 4.138 1.427 ( 0.041 0.000 -2.288) 2.289 1.500 ( -3.733 0.000 -0.409) 3.755 1.545 ( -2.100 0.000 -1.257) 2.447 1.551 ( 2.564 0.000 -2.286) 3.435 1.568 ( 0.261 0.000 -3.204) 3.214 1.708 ( 0.759 0.000 0.741) 1.061 1.714 ( 0.139 0.000 0.314) 0.343 1.841 ( 2.298 0.000 1.578) 2.787 1.881 ( -4.714 0.000 4.132) 6.268 2.025 ( -0.650 0.000 -8.569) 8.594 2.034 ( 0.286 0.000 -1.702) 1.726 2.700 ( 0.775 0.000 -2.192) 2.325 2.784 ( 4.220 0.000 0.865) 4.308 2.957 ( -0.229 0.000 -5.683) 5.687 3.057 ( 1.686 0.000 -4.584) 4.884 3.241 ( 4.643 0.000 -1.056) 4.762 3.283 ( 1.553 0.000 3.275) 3.624 3.368 ( 3.898 0.000 -0.489) 3.929 3.487 ( -3.394 0.000 -4.326) 5.499 3.563 ( -2.382 0.000 1.187) 2.661 3.573 ( -0.814 0.000 -2.051) 2.206 3.685 ( -7.999 0.000 5.536) 9.727 3.800 ( -1.392 0.000 5.268) 5.448 4.287 ( -1.370 0.000 -2.018) 2.439 4.315 ( 2.814 0.000 2.473) 3.747 4.833 ( -2.004 0.000 -4.292) 4.737 4.881 ( -1.271 0.000 -4.674) 4.844 4.906 ( -0.100 0.000 -0.059) 0.117 4.989 ( 0.495 0.000 1.301) 1.392 5.589 ( 1.890 0.000 11.416) 11.572 5.723 ( -3.470 0.000 6.102) 7.019 6.277 ( 1.088 0.000 -4.859) 4.980 6.326 ( -2.209 0.000 -7.417) 7.739 6.381 ( -4.087 0.000 -7.849) 8.849 6.584 ( 5.122 0.000 2.360) 5.639 6.820 ( 1.852 0.000 5.367) 5.677 6.972 ( -2.364 0.000 5.934) 6.388 7.048 ( -0.852 0.000 -2.865) 2.989 7.065 ( -1.898 0.000 -5.037) 5.383 7.192 ( 3.123 0.000 7.271) 7.913 7.249 ( -3.698 0.000 -0.726) 3.769 8.300 ( 0.775 0.000 -1.897) 2.050 8.380 ( 0.755 0.000 0.186) 0.777 8.592 ( -0.408 0.000 -1.463) 1.519 8.611 ( 2.116 0.000 2.685) 3.418 9.853 ( -3.558 0.000 5.869) 6.863 9.894 ( -6.649 0.000 1.424) 6.800 10.083 ( 3.244 0.000 -4.093) 5.222 10.426 ( 0.366 0.000 4.797) 4.811 11.573 ( -0.131 0.000 0.557) 0.573 11.588 ( -1.561 0.000 3.645) 3.965 11.624 ( 0.239 0.000 -0.467) 0.524 11.730 ( -1.974 0.000 -1.472) 2.462 12.332 ( 1.398 0.000 1.291) 1.903 12.349 ( 1.395 0.000 -0.078) 1.398 12.478 ( -1.087 0.000 2.659) 2.872 12.562 ( -1.099 0.000 -1.546) 1.897 12.649 ( -1.230 0.000 0.072) 1.232 12.688 ( -0.613 0.000 1.336) 1.470 12.769 ( 1.011 0.000 -3.023) 3.187 13.112 ( -1.207 0.000 2.396) 2.683 20.722 ( 2.616 0.000 -1.582) 3.057 21.062 ( -0.053 0.000 -0.790) 0.792 21.183 ( -1.094 0.000 1.113) 1.561 21.264 ( 2.224 0.000 -0.448) 2.269 21.421 ( -0.150 0.000 0.742) 0.757 21.610 ( -1.503 0.000 -1.042) 1.829 21.611 ( -0.143 0.000 -1.683) 1.689 21.664 ( -1.149 0.000 -0.393) 1.214 21.852 ( -6.036 0.000 -10.284) 11.924 21.935 ( 8.542 0.000 -8.811) 12.272 22.302 ( -14.194 0.000 23.372) 27.345 22.797 ( 0.822 0.000 0.147) 0.835 22.810 ( 0.637 0.000 -0.489) 0.803 22.853 ( -1.993 0.000 0.453) 2.044 22.866 ( -0.426 0.000 0.025) 0.426 23.131 ( -2.439 0.000 7.260) 7.658 ======================= Grid point 3 (4/90) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.510 ( -0.015 0.000 -0.581) 0.581 0.536 ( 3.712 0.000 2.724) 4.604 0.704 ( -0.733 0.000 3.516) 3.591 0.756 ( -2.321 0.000 -0.191) 2.329 0.773 ( -1.872 0.000 3.630) 4.084 0.796 ( 0.860 0.000 3.085) 3.203 0.867 ( 4.699 0.000 -3.692) 5.976 0.883 ( 0.700 0.000 -1.400) 1.565 0.926 ( 3.322 0.000 -0.056) 3.323 0.961 ( 0.888 0.000 -0.925) 1.283 0.996 ( -1.547 0.000 1.185) 1.948 1.129 ( -1.518 0.000 0.499) 1.597 1.140 ( -0.689 0.000 0.650) 0.947 1.209 ( 0.828 0.000 -0.753) 1.119 1.249 ( -0.491 0.000 0.411) 0.640 1.295 ( 0.245 0.000 0.600) 0.648 1.358 ( 3.247 0.000 -1.282) 3.491 1.376 ( 0.607 0.000 3.796) 3.844 1.405 ( 0.532 0.000 -2.132) 2.197 1.412 ( -0.438 0.000 2.617) 2.653 1.423 ( -3.992 0.000 -1.054) 4.129 1.489 ( -1.690 0.000 -1.712) 2.406 1.560 ( 1.298 0.000 -1.915) 2.313 1.563 ( 0.781 0.000 -0.261) 0.824 1.722 ( 0.476 0.000 0.062) 0.480 1.731 ( 0.468 0.000 0.899) 1.014 1.870 ( -3.515 0.000 6.563) 7.445 1.880 ( 0.718 0.000 1.082) 1.298 1.932 ( 0.994 0.000 -8.776) 8.832 2.016 ( -0.231 0.000 -1.264) 1.285 2.700 ( 0.927 0.000 -0.829) 1.243 2.848 ( 2.090 0.000 0.521) 2.154 2.900 ( -0.955 0.000 -2.418) 2.600 3.040 ( 0.098 0.000 -1.043) 1.047 3.302 ( 2.023 0.000 -0.184) 2.031 3.332 ( 0.568 0.000 1.830) 1.916 3.427 ( 1.116 0.000 -2.012) 2.301 3.428 ( 4.081 0.000 -0.836) 4.165 3.527 ( -3.246 0.000 1.166) 3.449 3.547 ( -0.803 0.000 -0.373) 0.885 3.600 ( -5.697 0.000 1.485) 5.887 3.825 ( -0.333 0.000 2.020) 2.047 4.254 ( -0.587 0.000 -0.924) 1.095 4.373 ( 1.412 0.000 1.338) 1.945 4.769 ( -1.154 0.000 -2.151) 2.441 4.828 ( -0.683 0.000 -1.959) 2.075 4.904 ( -0.087 0.000 0.010) 0.088 5.005 ( 0.188 0.000 0.555) 0.586 5.716 ( 1.184 0.000 6.506) 6.613 5.730 ( -1.261 0.000 2.493) 2.794 6.223 ( -1.750 0.000 -5.051) 5.345 6.252 ( 0.485 0.000 -2.230) 2.282 6.277 ( -1.326 0.000 -2.812) 3.109 6.696 ( 4.460 0.000 2.586) 5.156 6.901 ( 1.270 0.000 4.960) 5.120 6.953 ( -3.322 0.000 -4.265) 5.406 6.988 ( -1.203 0.000 -4.170) 4.340 6.994 ( -1.175 0.000 2.195) 2.490 7.212 ( -0.912 0.000 0.113) 0.918 7.289 ( 1.507 0.000 2.925) 3.291 8.296 ( 0.265 0.000 -0.593) 0.650 8.391 ( 0.389 0.000 0.078) 0.397 8.575 ( -0.200 0.000 -0.674) 0.703 8.657 ( 0.878 0.000 1.102) 1.409 9.829 ( -2.090 0.000 -0.087) 2.092 9.855 ( -1.723 0.000 2.765) 3.258 10.092 ( 1.596 0.000 -1.924) 2.500 10.463 ( 0.131 0.000 1.556) 1.561 11.582 ( 0.215 0.000 0.638) 0.674 11.599 ( -0.475 0.000 1.460) 1.535 11.622 ( 0.147 0.000 -0.433) 0.457 11.688 ( -1.142 0.000 -1.028) 1.537 12.364 ( 0.574 0.000 -0.074) 0.579 12.381 ( 2.369 0.000 1.493) 2.800 12.486 ( -0.410 0.000 1.169) 1.239 12.499 ( -3.035 0.000 -1.751) 3.504 12.655 ( 0.411 0.000 0.494) 0.642 12.694 ( -0.357 0.000 1.122) 1.177 12.755 ( 0.359 0.000 -1.634) 1.673 13.110 ( -0.845 0.000 0.829) 1.184 20.749 ( 1.740 0.000 -0.665) 1.863 21.055 ( -0.041 0.000 -0.284) 0.287 21.175 ( -0.825 0.000 0.589) 1.014 21.288 ( 0.659 0.000 0.260) 0.709 21.430 ( 0.112 0.000 0.739) 0.748 21.586 ( -0.535 0.000 0.056) 0.538 21.597 ( 0.061 0.000 -0.690) 0.693 21.641 ( -0.809 0.000 -0.324) 0.872 21.678 ( -3.557 0.000 -5.729) 6.743 21.981 ( 3.922 0.000 -3.123) 5.014 22.308 ( -5.030 0.000 8.111) 9.544 22.813 ( 1.047 0.000 -0.308) 1.091 22.816 ( 0.312 0.000 -0.065) 0.319 22.831 ( -1.403 0.000 0.701) 1.568 22.856 ( -0.325 0.000 -0.326) 0.460 23.155 ( -1.143 0.000 3.003) 3.214 ======================= Grid point 7 (5/90) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.182 ( 0.000 9.720 0.000) 9.720 0.327 ( 0.000 14.781 0.000) 14.781 0.554 ( 0.000 28.230 0.000) 28.230 0.637 ( 0.000 -4.961 0.000) 4.961 0.743 ( 0.000 -4.699 0.000) 4.699 0.830 ( 0.000 3.243 0.000) 3.243 0.856 ( 0.000 -0.403 0.000) 0.403 0.897 ( 0.000 -1.576 0.000) 1.576 0.959 ( 0.000 1.068 0.000) 1.068 0.975 ( 0.000 1.777 0.000) 1.777 1.093 ( 0.000 3.228 0.000) 3.228 1.125 ( 0.000 -0.725 0.000) 0.725 1.145 ( 0.000 3.046 0.000) 3.046 1.150 ( 0.000 -0.034 0.000) 0.034 1.207 ( 0.000 0.658 0.000) 0.658 1.261 ( 0.000 0.655 0.000) 0.655 1.263 ( 0.000 0.052 0.000) 0.052 1.344 ( 0.000 5.759 0.000) 5.759 1.422 ( 0.000 -1.096 0.000) 1.096 1.442 ( 0.000 0.349 0.000) 0.349 1.471 ( 0.000 -3.173 0.000) 3.173 1.596 ( 0.000 -0.155 0.000) 0.155 1.610 ( 0.000 4.053 0.000) 4.053 1.618 ( 0.000 -0.107 0.000) 0.107 1.699 ( 0.000 0.217 0.000) 0.217 1.711 ( 0.000 -2.722 0.000) 2.722 1.745 ( 0.000 1.617 0.000) 1.617 1.942 ( 0.000 -0.227 0.000) 0.227 2.008 ( 0.000 1.816 0.000) 1.816 2.257 ( 0.000 -7.782 0.000) 7.782 2.696 ( 0.000 -0.524 0.000) 0.524 2.775 ( 0.000 0.202 0.000) 0.202 2.838 ( 0.000 0.212 0.000) 0.212 3.026 ( 0.000 0.207 0.000) 0.207 3.174 ( 0.000 -7.009 0.000) 7.009 3.208 ( 0.000 1.027 0.000) 1.027 3.247 ( 0.000 -2.450 0.000) 2.450 3.292 ( 0.000 1.646 0.000) 1.646 3.602 ( 0.000 -1.113 0.000) 1.113 3.644 ( 0.000 -1.797 0.000) 1.797 3.653 ( 0.000 -0.022 0.000) 0.022 3.811 ( 0.000 4.748 0.000) 4.748 4.263 ( 0.000 3.776 0.000) 3.776 4.332 ( 0.000 -1.555 0.000) 1.555 4.903 ( 0.000 -0.165 0.000) 0.165 4.920 ( 0.000 -0.768 0.000) 0.768 4.954 ( 0.000 -0.055 0.000) 0.055 4.985 ( 0.000 0.015 0.000) 0.015 5.708 ( 0.000 4.425 0.000) 4.425 5.806 ( 0.000 -3.544 0.000) 3.544 6.356 ( 0.000 2.613 0.000) 2.613 6.459 ( 0.000 -0.619 0.000) 0.619 6.502 ( 0.000 0.584 0.000) 0.584 6.638 ( 0.000 -1.832 0.000) 1.832 6.655 ( 0.000 -3.907 0.000) 3.907 6.691 ( 0.000 -2.072 0.000) 2.072 6.821 ( 0.000 -4.525 0.000) 4.525 7.085 ( 0.000 -4.010 0.000) 4.010 7.097 ( 0.000 -6.179 0.000) 6.179 7.280 ( 0.000 -7.538 0.000) 7.538 8.316 ( 0.000 0.998 0.000) 0.998 8.357 ( 0.000 -1.778 0.000) 1.778 8.524 ( 0.000 0.347 0.000) 0.347 8.601 ( 0.000 -1.900 0.000) 1.900 9.594 ( 0.000 -0.113 0.000) 0.113 9.946 ( 0.000 -3.641 0.000) 3.641 10.023 ( 0.000 -4.558 0.000) 4.558 10.257 ( 0.000 -4.546 0.000) 4.546 11.549 ( 0.000 1.265 0.000) 1.265 11.638 ( 0.000 1.344 0.000) 1.344 11.701 ( 0.000 3.298 0.000) 3.298 11.816 ( 0.000 2.695 0.000) 2.695 12.354 ( 0.000 3.676 0.000) 3.676 12.467 ( 0.000 0.392 0.000) 0.392 12.549 ( 0.000 4.884 0.000) 4.884 12.577 ( 0.000 3.246 0.000) 3.246 12.651 ( 0.000 0.368 0.000) 0.368 12.718 ( 0.000 2.625 0.000) 2.625 13.063 ( 0.000 -1.863 0.000) 1.863 13.294 ( 0.000 -0.152 0.000) 0.152 20.675 ( 0.000 -0.962 0.000) 0.962 20.785 ( 0.000 4.367 0.000) 4.367 21.088 ( 0.000 0.426 0.000) 0.426 21.240 ( 0.000 -0.076 0.000) 0.076 21.495 ( 0.000 0.136 0.000) 0.136 21.660 ( 0.000 1.626 0.000) 1.626 21.694 ( 0.000 0.810 0.000) 0.810 21.746 ( 0.000 7.831 0.000) 7.831 21.914 ( 0.000 -1.282 0.000) 1.282 21.942 ( 0.000 -3.815 0.000) 3.815 22.631 ( 0.000 -0.046 0.000) 0.046 22.730 ( 0.000 -1.951 0.000) 1.951 22.796 ( 0.000 0.621 0.000) 0.621 22.847 ( 0.000 -1.386 0.000) 1.386 22.947 ( 0.000 -12.436 0.000) 12.436 23.190 ( 0.000 -3.223 0.000) 3.223 ======================= Grid point 8 (6/90) ======================= q-point: ( 0.14 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.253 ( 3.922 13.234 -6.474) 15.246 0.335 ( 11.787 5.650 0.077) 13.071 0.571 ( 0.982 -0.803 -2.939) 3.201 0.701 ( 1.428 8.563 5.317) 10.180 0.726 ( -2.352 -1.099 3.150) 4.081 0.814 ( -1.881 -1.911 -1.822) 3.242 0.876 ( 3.735 4.137 1.735) 5.837 0.901 ( -0.755 2.686 1.867) 3.357 0.928 ( -4.615 1.206 0.707) 4.822 0.958 ( -0.421 0.654 0.457) 0.902 1.090 ( 0.474 3.598 -2.832) 4.604 1.134 ( -1.586 -0.945 1.069) 2.133 1.138 ( 1.233 1.017 -0.273) 1.621 1.175 ( 2.584 0.723 1.309) 2.986 1.247 ( 0.960 0.115 2.953) 3.107 1.260 ( 1.661 0.417 -2.173) 2.766 1.273 ( 1.488 0.932 1.615) 2.385 1.351 ( 0.117 5.337 0.654) 5.378 1.397 ( -2.341 0.448 0.053) 2.384 1.432 ( 0.077 -0.843 -1.555) 1.771 1.484 ( 0.857 -2.030 0.176) 2.211 1.570 ( -2.455 1.802 -1.007) 3.207 1.594 ( -0.226 1.508 -1.567) 2.186 1.620 ( 1.355 0.867 -0.958) 1.872 1.688 ( -0.092 -1.110 -0.967) 1.475 1.736 ( -0.255 2.270 -0.266) 2.300 1.757 ( 2.919 -1.707 2.353) 4.119 1.944 ( -2.360 1.249 1.769) 3.203 2.013 ( 0.665 -0.332 -0.006) 0.743 2.133 ( -3.370 -1.546 -7.766) 8.605 2.670 ( 0.315 -0.925 0.613) 1.154 2.770 ( 0.652 1.693 -0.867) 2.011 2.937 ( 5.780 -5.723 -6.214) 10.236 3.031 ( 1.700 -1.361 -4.536) 5.032 3.199 ( -0.384 -0.934 0.515) 1.133 3.238 ( 1.703 -1.945 -0.666) 2.669 3.298 ( 2.397 -0.814 3.900) 4.649 3.403 ( 6.098 -11.515 8.165) 15.376 3.570 ( -4.114 -1.585 -0.600) 4.449 3.629 ( -1.106 1.667 1.522) 2.514 3.658 ( -0.744 -1.431 1.199) 2.009 3.813 ( -2.635 3.343 4.165) 5.956 4.248 ( -0.705 1.380 1.692) 2.294 4.337 ( -1.132 -0.137 0.866) 1.432 4.883 ( -1.330 -0.150 -3.091) 3.368 4.905 ( 0.157 -0.203 -1.206) 1.233 4.962 ( 0.352 -0.292 0.998) 1.098 4.965 ( -0.874 0.064 -2.684) 2.824 5.657 ( -1.456 9.851 -2.804) 10.345 5.749 ( -4.438 1.724 4.572) 6.601 6.315 ( 0.176 1.779 -4.426) 4.773 6.439 ( -0.870 -0.355 -5.389) 5.470 6.490 ( 0.930 -0.247 -0.875) 1.301 6.513 ( -3.900 -1.963 -5.694) 7.175 6.720 ( 1.960 -2.054 3.364) 4.402 6.812 ( 1.193 -8.058 9.294) 12.358 6.917 ( 3.676 -6.458 6.619) 9.952 7.083 ( 0.451 -3.778 -1.190) 3.987 7.090 ( -1.370 -5.621 0.924) 5.859 7.253 ( -2.613 -7.087 -0.977) 7.617 8.311 ( 0.679 0.576 -1.600) 1.831 8.366 ( 0.566 -0.682 0.460) 0.999 8.539 ( 1.430 -0.562 0.879) 1.771 8.598 ( 0.187 -1.594 -1.145) 1.971 9.704 ( 0.991 -6.709 8.912) 11.199 9.961 ( -4.754 -4.032 6.998) 9.372 10.030 ( 2.579 -4.164 -2.785) 5.634 10.258 ( 1.738 -6.413 -0.010) 6.645 11.555 ( -0.466 0.966 1.546) 1.881 11.637 ( 0.122 1.366 -0.484) 1.455 11.681 ( -1.799 4.851 0.560) 5.204 11.806 ( -1.175 2.998 -0.335) 3.237 12.353 ( -0.630 3.455 0.717) 3.585 12.451 ( -3.989 5.887 -2.714) 7.611 12.476 ( -1.930 1.575 3.079) 3.961 12.579 ( 1.375 2.300 -0.286) 2.695 12.697 ( 0.686 1.465 2.070) 2.627 12.715 ( 0.070 2.588 -1.320) 2.906 13.015 ( -7.798 7.166 -4.441) 11.484 13.114 ( -2.208 4.786 -2.415) 5.797 20.716 ( 1.901 0.796 -1.504) 2.552 20.935 ( 10.445 -7.949 3.971) 13.713 21.098 ( -0.993 1.322 3.940) 4.273 21.212 ( -2.346 -0.801 -0.887) 2.633 21.481 ( -0.993 1.994 1.032) 2.455 21.665 ( -2.007 1.950 1.304) 3.087 21.685 ( 0.561 0.007 -2.395) 2.460 21.765 ( 0.048 8.548 1.323) 8.650 21.912 ( 6.360 -0.184 -9.263) 11.238 21.955 ( -1.466 -4.181 2.054) 4.884 22.463 ( -18.884 6.497 4.936) 20.571 22.765 ( 1.235 -3.891 1.954) 4.526 22.794 ( 0.417 0.396 -0.620) 0.845 22.850 ( -0.083 -1.151 0.455) 1.240 22.880 ( -4.926 -4.730 -0.091) 6.830 23.058 ( -5.264 -2.346 0.055) 5.763 ======================= Grid point 9 (7/90) ======================= q-point: ( 0.29 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.344 ( 6.481 0.797 4.841) 8.128 0.497 ( 4.666 -1.193 -1.156) 4.953 0.566 ( 5.328 -2.517 -2.529) 6.412 0.726 ( -2.134 0.738 1.864) 2.928 0.740 ( 0.280 -0.944 1.822) 2.071 0.783 ( -0.270 0.125 -1.349) 1.381 0.856 ( -0.747 -0.883 -1.155) 1.634 0.884 ( -1.431 2.310 -0.183) 2.723 0.925 ( -0.130 -3.706 -1.784) 4.116 1.016 ( 0.444 7.969 6.286) 10.160 1.061 ( 0.064 4.137 -1.795) 4.511 1.122 ( -0.406 -0.158 0.305) 0.532 1.162 ( 0.247 1.871 1.378) 2.337 1.206 ( 0.523 0.197 -0.458) 0.723 1.270 ( 1.642 0.844 -0.678) 1.966 1.301 ( 2.960 1.252 1.422) 3.514 1.325 ( 2.369 0.177 0.430) 2.414 1.354 ( -1.715 3.344 2.427) 4.474 1.394 ( 0.053 3.207 3.928) 5.071 1.413 ( 0.145 -0.937 -2.283) 2.472 1.482 ( -1.104 -0.539 -0.874) 1.508 1.533 ( -1.689 1.841 0.650) 2.581 1.560 ( -0.571 0.068 -3.398) 3.446 1.634 ( 1.944 2.877 -1.752) 3.889 1.684 ( 0.431 -1.393 -0.473) 1.533 1.738 ( 0.718 1.548 0.098) 1.709 1.828 ( 2.266 -1.058 2.532) 3.559 1.913 ( -4.230 3.064 3.915) 6.528 2.011 ( -0.435 -0.841 -2.667) 2.830 2.025 ( -0.457 -1.328 -6.340) 6.494 2.693 ( 1.443 -0.997 -0.063) 1.755 2.781 ( 1.930 0.018 -0.548) 2.006 2.935 ( 0.494 -3.306 -2.835) 4.383 2.986 ( -0.882 -2.999 -4.960) 5.863 3.221 ( 0.808 -4.469 3.026) 5.457 3.272 ( 3.710 0.522 -0.930) 3.860 3.370 ( 3.892 0.330 0.841) 3.996 3.467 ( -0.816 -2.399 -5.919) 6.438 3.515 ( -2.786 -6.147 5.685) 8.824 3.634 ( -0.059 4.689 0.387) 4.705 3.648 ( -3.993 -1.278 3.976) 5.778 3.801 ( -3.363 -0.062 3.079) 4.560 4.289 ( 1.101 -1.758 3.658) 4.205 4.317 ( -1.233 1.914 0.772) 2.404 4.821 ( -1.340 0.255 -3.908) 4.139 4.884 ( -0.981 -0.232 -3.368) 3.515 4.916 ( -0.599 0.207 -2.075) 2.170 4.983 ( 0.521 -0.502 1.176) 1.380 5.672 ( 0.725 6.713 5.030) 8.419 5.739 ( -2.461 1.628 3.653) 4.695 6.278 ( 0.721 0.803 -4.228) 4.364 6.343 ( -2.042 1.421 -6.602) 7.055 6.374 ( -3.736 -0.508 -6.308) 7.349 6.562 ( 4.423 -1.988 2.024) 5.255 6.781 ( 0.704 -3.901 3.787) 5.482 6.887 ( -0.211 -7.196 5.039) 8.787 6.988 ( 0.004 -4.988 -0.351) 5.001 7.054 ( -0.696 -2.224 -3.700) 4.373 7.117 ( 0.570 -7.306 5.373) 9.087 7.201 ( -2.155 -5.299 0.467) 5.740 8.306 ( 0.555 0.677 -1.314) 1.579 8.384 ( 0.797 0.074 0.684) 1.053 8.569 ( 0.648 -1.818 -0.390) 1.969 8.595 ( 0.893 -1.712 0.384) 1.969 9.763 ( -1.558 -4.891 5.009) 7.172 9.916 ( -5.540 -1.396 2.572) 6.266 10.046 ( 3.265 -3.483 -3.388) 5.854 10.309 ( 1.724 -9.879 2.471) 10.328 11.562 ( -0.617 0.684 1.526) 1.783 11.631 ( 0.149 1.817 -0.933) 2.048 11.672 ( -0.696 4.904 1.470) 5.167 11.774 ( -1.703 3.763 -1.079) 4.269 12.356 ( -0.207 2.706 2.040) 3.395 12.399 ( -0.843 3.773 -0.588) 3.911 12.487 ( -0.773 1.122 2.540) 2.882 12.599 ( 0.781 2.830 -0.589) 2.994 12.666 ( -2.209 1.588 -2.010) 3.383 12.730 ( -0.305 4.457 3.292) 5.549 12.884 ( -1.605 9.104 -4.880) 10.453 13.107 ( -1.102 -0.144 1.754) 2.076 20.729 ( 2.131 0.805 -1.799) 2.902 21.058 ( 4.966 -2.936 -3.905) 6.967 21.152 ( -0.691 -0.710 7.278) 7.345 21.167 ( -2.057 -3.717 1.073) 4.382 21.491 ( -0.345 2.375 2.277) 3.308 21.630 ( -2.164 1.959 -0.006) 2.919 21.668 ( 0.813 1.646 -2.772) 3.325 21.747 ( -1.239 9.074 -2.344) 9.454 21.869 ( -4.368 2.326 -7.700) 9.153 21.948 ( 6.831 0.940 -6.242) 9.301 22.293 ( -13.369 -0.417 13.438) 18.960 22.792 ( 0.121 -2.059 1.660) 2.647 22.799 ( 0.441 -1.342 -0.611) 1.539 22.840 ( -0.994 -1.068 0.865) 1.696 22.853 ( -0.325 -0.770 0.249) 0.872 23.019 ( -2.766 -9.764 3.078) 10.605 ======================= Grid point 10 (8/90) ======================= q-point: ( 0.43 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.486 ( 4.127 -3.146 2.493) 5.757 0.508 ( 0.899 0.262 0.373) 1.008 0.616 ( 0.212 -8.482 -0.638) 8.509 0.694 ( -2.226 -1.838 -1.289) 3.162 0.767 ( 3.054 0.349 -0.095) 3.075 0.797 ( 1.195 0.679 3.627) 3.878 0.833 ( -2.740 1.180 -0.829) 3.097 0.879 ( 0.155 -0.984 -2.686) 2.865 0.917 ( 2.563 -0.895 0.086) 2.716 1.008 ( -2.534 0.556 0.151) 2.599 1.083 ( 1.565 1.967 0.943) 2.685 1.122 ( -1.827 1.938 0.795) 2.780 1.160 ( -0.352 2.923 -0.072) 2.945 1.211 ( 0.638 0.139 -0.031) 0.654 1.278 ( 0.962 1.637 -1.675) 2.532 1.334 ( 0.551 2.330 0.062) 2.395 1.355 ( 1.823 0.651 -0.662) 2.046 1.380 ( -0.919 -0.500 2.899) 3.082 1.401 ( 1.135 -0.099 -0.795) 1.389 1.414 ( -1.369 1.358 0.180) 1.937 1.467 ( -0.300 3.035 2.269) 3.801 1.497 ( -1.773 2.693 -0.470) 3.258 1.548 ( 0.760 1.500 -0.941) 1.927 1.645 ( 1.173 4.254 -1.216) 4.577 1.688 ( 0.281 -1.953 -0.155) 1.979 1.753 ( 0.550 1.018 0.241) 1.182 1.878 ( 0.707 0.554 2.684) 2.830 1.899 ( -2.669 2.118 3.793) 5.099 1.946 ( 0.919 1.726 -6.039) 6.348 1.994 ( -0.507 -2.131 -1.518) 2.665 2.706 ( 0.600 0.219 -0.406) 0.757 2.819 ( 2.135 -2.389 0.536) 3.249 2.907 ( -0.721 1.221 -2.112) 2.543 2.926 ( -1.465 -8.163 -1.122) 8.369 3.262 ( 0.535 -6.568 1.760) 6.821 3.321 ( 1.721 1.704 0.122) 2.425 3.404 ( 0.399 -1.780 -2.452) 3.056 3.437 ( 3.093 0.536 -0.455) 3.172 3.514 ( -2.070 -4.051 1.983) 4.963 3.608 ( -2.956 1.516 0.840) 3.427 3.633 ( -0.908 6.804 0.803) 6.912 3.782 ( -1.236 -4.233 0.960) 4.513 4.289 ( -0.693 2.283 -0.038) 2.386 4.361 ( 1.036 -1.111 2.496) 2.922 4.776 ( -0.798 0.845 -1.121) 1.614 4.824 ( -0.639 -0.462 -3.325) 3.417 4.904 ( -0.117 -0.071 -0.125) 0.185 4.998 ( 0.214 -0.580 0.471) 0.777 5.736 ( -0.245 2.203 2.958) 3.696 5.742 ( 0.126 1.758 2.123) 2.760 6.250 ( -0.919 2.439 -2.573) 3.663 6.260 ( -0.182 1.019 -3.086) 3.255 6.285 ( -1.274 0.987 -2.251) 2.768 6.659 ( 3.959 -3.559 2.114) 5.728 6.798 ( -1.462 -7.447 0.197) 7.591 6.921 ( 0.171 -5.956 1.843) 6.237 6.962 ( -1.203 -1.858 -0.220) 2.224 7.003 ( -0.954 0.386 -2.282) 2.503 7.152 ( -0.349 -5.959 1.186) 6.086 7.214 ( 0.784 -7.701 1.641) 7.913 8.303 ( 0.191 0.658 -0.472) 0.832 8.401 ( 0.461 0.667 0.326) 0.874 8.561 ( -0.084 -1.201 -0.630) 1.359 8.619 ( 0.647 -3.363 0.614) 3.480 9.773 ( -0.909 -3.020 1.416) 3.457 9.870 ( -2.101 -1.010 1.046) 2.555 10.061 ( 1.537 -3.115 -1.539) 3.799 10.345 ( 0.470 -10.627 1.039) 10.688 11.567 ( -0.260 0.249 0.727) 0.811 11.625 ( 0.105 2.209 -0.528) 2.274 11.681 ( -0.020 4.409 0.928) 4.506 11.740 ( -0.919 4.512 -0.817) 4.676 12.382 ( 0.186 0.686 0.507) 0.873 12.400 ( 0.948 3.145 1.407) 3.574 12.497 ( -0.323 1.278 0.979) 1.642 12.557 ( -2.360 4.120 -2.017) 5.159 12.652 ( 0.537 0.756 0.058) 0.929 12.758 ( -0.407 6.406 2.740) 6.979 12.835 ( 0.184 6.494 -2.989) 7.152 13.103 ( -0.774 -0.486 0.678) 1.138 20.747 ( 1.419 0.107 -0.721) 1.595 21.061 ( 0.167 -1.072 -1.645) 1.970 21.154 ( 0.130 -0.481 0.731) 0.885 21.205 ( -0.498 -4.978 2.565) 5.622 21.498 ( -0.431 0.074 0.346) 0.558 21.623 ( -0.099 6.835 2.112) 7.155 21.665 ( 1.672 3.133 -1.101) 3.718 21.697 ( -1.064 7.443 -2.770) 8.013 21.725 ( -4.002 4.767 -4.190) 7.503 21.996 ( 3.838 1.837 -2.642) 5.008 22.253 ( -5.127 -4.927 6.281) 9.488 22.794 ( -0.198 -1.948 -0.194) 1.968 22.809 ( 0.317 -0.802 0.601) 1.051 22.840 ( -0.010 0.497 0.192) 0.533 22.849 ( -0.212 -0.540 0.024) 0.581 23.015 ( -1.144 -13.162 1.767) 13.330 ======================= Grid point 14 (9/90) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.375 ( 0.000 9.901 0.000) 9.901 0.442 ( 0.000 -1.916 0.000) 1.916 0.657 ( 0.000 -3.736 0.000) 3.736 0.691 ( 0.000 10.465 0.000) 10.465 0.798 ( 0.000 -1.609 0.000) 1.609 0.888 ( 0.000 1.915 0.000) 1.915 0.928 ( 0.000 0.273 0.000) 0.273 0.930 ( 0.000 5.309 0.000) 5.309 1.010 ( 0.000 1.741 0.000) 1.741 1.084 ( 0.000 7.003 0.000) 7.003 1.109 ( 0.000 -1.059 0.000) 1.059 1.140 ( 0.000 4.354 0.000) 4.354 1.153 ( 0.000 0.528 0.000) 0.528 1.220 ( 0.000 4.721 0.000) 4.721 1.249 ( 0.000 10.504 0.000) 10.504 1.257 ( 0.000 -0.559 0.000) 0.559 1.287 ( 0.000 1.788 0.000) 1.788 1.374 ( 0.000 -0.380 0.000) 0.380 1.409 ( 0.000 -2.841 0.000) 2.841 1.454 ( 0.000 1.109 0.000) 1.109 1.480 ( 0.000 3.824 0.000) 3.824 1.580 ( 0.000 -3.443 0.000) 3.443 1.589 ( 0.000 -0.479 0.000) 0.479 1.651 ( 0.000 -2.597 0.000) 2.597 1.690 ( 0.000 3.022 0.000) 3.022 1.708 ( 0.000 1.062 0.000) 1.062 1.787 ( 0.000 1.732 0.000) 1.732 1.955 ( 0.000 1.100 0.000) 1.100 2.047 ( 0.000 2.629 0.000) 2.629 2.091 ( 0.000 -8.263 0.000) 8.263 2.668 ( 0.000 -1.107 0.000) 1.107 2.790 ( 0.000 0.766 0.000) 0.766 2.854 ( 0.000 1.310 0.000) 1.310 2.990 ( 0.000 -5.912 0.000) 5.912 3.072 ( 0.000 -0.575 0.000) 0.575 3.189 ( 0.000 -2.923 0.000) 2.923 3.240 ( 0.000 2.269 0.000) 2.269 3.323 ( 0.000 1.123 0.000) 1.123 3.538 ( 0.000 -5.465 0.000) 5.465 3.607 ( 0.000 -1.968 0.000) 1.968 3.647 ( 0.000 -0.846 0.000) 0.846 3.890 ( 0.000 2.490 0.000) 2.490 4.288 ( 0.000 -2.510 0.000) 2.510 4.329 ( 0.000 1.963 0.000) 1.963 4.896 ( 0.000 -1.604 0.000) 1.604 4.904 ( 0.000 0.262 0.000) 0.262 4.957 ( 0.000 0.313 0.000) 0.313 4.982 ( 0.000 -0.337 0.000) 0.337 5.775 ( 0.000 1.075 0.000) 1.075 5.805 ( 0.000 4.814 0.000) 4.814 6.385 ( 0.000 -0.271 0.000) 0.271 6.449 ( 0.000 -0.758 0.000) 0.758 6.508 ( 0.000 -0.807 0.000) 0.807 6.575 ( 0.000 -3.883 0.000) 3.883 6.577 ( 0.000 -2.983 0.000) 2.983 6.636 ( 0.000 -3.428 0.000) 3.428 6.746 ( 0.000 -2.564 0.000) 2.564 6.939 ( 0.000 -9.550 0.000) 9.550 6.955 ( 0.000 -9.018 0.000) 9.018 7.079 ( 0.000 -12.435 0.000) 12.435 8.339 ( 0.000 1.196 0.000) 1.196 8.340 ( 0.000 0.260 0.000) 0.260 8.516 ( 0.000 -1.181 0.000) 1.181 8.555 ( 0.000 -2.615 0.000) 2.615 9.594 ( 0.000 0.225 0.000) 0.225 9.856 ( 0.000 -5.178 0.000) 5.178 9.919 ( 0.000 -5.633 0.000) 5.633 10.140 ( 0.000 -7.042 0.000) 7.042 11.586 ( 0.000 2.352 0.000) 2.352 11.668 ( 0.000 1.594 0.000) 1.594 11.781 ( 0.000 4.632 0.000) 4.632 11.873 ( 0.000 2.871 0.000) 2.871 12.440 ( 0.000 4.653 0.000) 4.653 12.490 ( 0.000 2.043 0.000) 2.043 12.623 ( 0.000 2.866 0.000) 2.866 12.666 ( 0.000 1.083 0.000) 1.083 12.700 ( 0.000 8.278 0.000) 8.278 12.776 ( 0.000 3.158 0.000) 3.158 13.015 ( 0.000 -2.925 0.000) 2.925 13.286 ( 0.000 -0.707 0.000) 0.707 20.669 ( 0.000 0.363 0.000) 0.363 20.876 ( 0.000 4.743 0.000) 4.743 21.060 ( 0.000 -3.220 0.000) 3.220 21.265 ( 0.000 2.033 0.000) 2.033 21.524 ( 0.000 2.850 0.000) 2.850 21.635 ( 0.000 -4.529 0.000) 4.529 21.705 ( 0.000 -0.485 0.000) 0.485 21.879 ( 0.000 -1.860 0.000) 1.860 21.908 ( 0.000 1.618 0.000) 1.618 21.931 ( 0.000 10.296 0.000) 10.296 22.547 ( 0.000 -18.874 0.000) 18.874 22.624 ( 0.000 -0.826 0.000) 0.826 22.761 ( 0.000 -1.882 0.000) 1.882 22.815 ( 0.000 -1.554 0.000) 1.554 22.819 ( 0.000 0.452 0.000) 0.452 23.110 ( 0.000 -4.723 0.000) 4.723 ======================= Grid point 15 (10/90) ======================= q-point: ( 0.14 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.418 ( 0.208 -0.667 -3.503) 3.572 0.437 ( 5.569 6.193 -0.168) 8.330 0.644 ( 1.544 12.172 -8.247) 14.784 0.686 ( 0.854 -1.543 3.313) 3.754 0.754 ( -3.660 -0.619 0.520) 3.748 0.844 ( -1.749 2.293 -2.129) 3.585 0.910 ( 0.552 2.589 -3.629) 4.492 0.936 ( -1.626 0.479 0.675) 1.825 0.968 ( -3.477 2.200 -1.315) 4.319 1.079 ( -4.080 -0.215 3.397) 5.314 1.138 ( 2.710 0.314 -0.914) 2.877 1.151 ( -0.014 1.551 -1.474) 2.140 1.172 ( 2.812 4.485 1.753) 5.577 1.201 ( -0.335 1.091 0.052) 1.143 1.268 ( 1.171 1.542 -0.657) 2.045 1.295 ( 1.066 1.065 0.218) 1.523 1.300 ( 2.466 8.574 2.790) 9.348 1.387 ( 0.695 0.447 0.336) 0.892 1.412 ( -1.430 1.020 3.652) 4.052 1.457 ( 0.956 1.857 -1.188) 2.403 1.484 ( 0.637 2.632 1.134) 2.936 1.573 ( -0.372 -0.959 -1.790) 2.064 1.605 ( 1.999 -1.867 1.121) 2.956 1.652 ( -2.247 3.129 -1.244) 4.047 1.664 ( 1.140 -1.417 -0.952) 2.053 1.737 ( 1.708 0.374 1.221) 2.133 1.775 ( 0.130 1.380 -1.099) 1.769 1.965 ( -0.544 0.364 2.065) 2.166 2.026 ( -1.989 -0.507 -1.170) 2.363 2.064 ( -1.260 -1.693 -1.434) 2.552 2.661 ( 0.072 -0.049 -0.015) 0.088 2.788 ( 0.095 0.627 -0.500) 0.807 2.876 ( 1.303 -0.801 -0.541) 1.623 2.984 ( -0.434 -4.579 -0.036) 4.600 3.133 ( 0.074 -3.283 1.639) 3.670 3.178 ( -0.364 -3.440 6.883) 7.703 3.274 ( 5.327 0.732 -2.758) 6.043 3.338 ( 1.516 0.310 0.555) 1.644 3.515 ( -2.305 -4.058 -0.838) 4.741 3.611 ( -1.250 -2.868 2.003) 3.715 3.649 ( 1.081 -0.375 -0.242) 1.169 3.873 ( -2.835 1.671 0.725) 3.370 4.266 ( -1.694 -0.029 0.592) 1.795 4.333 ( -1.324 -0.116 2.102) 2.486 4.875 ( -0.567 -1.092 -2.740) 3.004 4.903 ( 0.071 0.140 -0.930) 0.943 4.953 ( -0.727 -1.121 -2.635) 2.954 4.963 ( 0.135 0.519 -0.142) 0.555 5.771 ( -0.552 2.768 0.729) 2.915 5.810 ( -0.103 5.650 0.941) 5.729 6.354 ( -1.023 0.460 -4.065) 4.217 6.427 ( -0.099 -0.666 -2.381) 2.475 6.467 ( -3.538 -0.708 -2.637) 4.470 6.506 ( 0.225 0.394 -2.976) 3.010 6.655 ( 0.722 -4.712 3.858) 6.133 6.679 ( 1.752 -6.142 3.653) 7.358 6.789 ( 2.733 -5.317 3.222) 6.791 6.934 ( -1.607 -9.583 2.280) 9.981 6.961 ( 1.389 -8.731 -1.564) 8.978 7.071 ( -1.265 -11.115 0.476) 11.196 8.331 ( 0.154 1.330 -0.753) 1.537 8.354 ( 0.306 -0.273 1.072) 1.148 8.522 ( 0.885 -1.316 -0.178) 1.595 8.556 ( 0.613 -2.425 -0.987) 2.689 9.633 ( 1.086 -1.565 4.508) 4.894 9.862 ( -2.366 -5.500 3.989) 7.194 9.934 ( 2.766 -5.350 -1.563) 6.222 10.121 ( -0.239 -7.589 -2.365) 7.952 11.590 ( -0.505 2.410 1.486) 2.876 11.669 ( 0.282 1.766 -0.244) 1.805 11.776 ( -0.075 4.864 -0.673) 4.911 11.866 ( -0.599 2.872 -0.490) 2.974 12.435 ( -1.277 4.459 1.085) 4.764 12.493 ( -0.569 1.897 0.915) 2.181 12.580 ( -4.757 5.612 -1.389) 7.487 12.633 ( 1.192 2.898 -0.065) 3.134 12.738 ( -1.053 2.551 1.504) 3.143 12.787 ( 2.364 4.701 -0.450) 5.281 13.018 ( -1.129 -1.990 1.780) 2.899 13.221 ( -3.406 3.253 -4.325) 6.395 20.722 ( 4.066 0.007 0.152) 4.069 20.890 ( 2.797 1.137 -0.176) 3.024 21.088 ( 0.296 -2.533 4.696) 5.344 21.223 ( -3.912 1.331 -1.146) 4.289 21.512 ( -1.768 0.907 0.346) 2.017 21.669 ( 2.677 -2.351 0.632) 3.618 21.694 ( -1.336 1.532 1.211) 2.366 21.869 ( -1.918 -0.576 0.889) 2.191 21.916 ( 0.840 1.284 0.064) 1.536 21.972 ( 4.519 8.735 -0.619) 9.854 22.470 ( -8.567 -9.714 -2.053) 13.114 22.598 ( -2.158 -7.666 1.484) 8.101 22.784 ( 1.202 -2.116 1.073) 2.660 22.805 ( 0.117 0.045 -1.102) 1.109 22.829 ( 0.079 -0.813 0.827) 1.162 23.018 ( -5.396 -2.289 -5.156) 7.807 ======================= Grid point 16 (11/90) ======================= q-point: ( 0.29 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 3.428 1.425 -2.543) 4.500 0.490 ( 2.412 2.290 -1.731) 3.750 0.609 ( 1.928 8.873 -5.218) 10.473 0.740 ( 1.507 1.882 0.031) 2.411 0.751 ( 1.239 -0.015 4.665) 4.827 0.813 ( 0.115 2.012 -2.386) 3.123 0.860 ( -2.624 2.210 -1.789) 3.869 0.883 ( -0.877 0.519 -2.146) 2.376 0.928 ( -2.245 1.703 0.727) 2.910 1.039 ( -3.941 -1.464 2.384) 4.833 1.107 ( -1.127 1.793 -2.623) 3.372 1.170 ( 0.257 0.093 1.164) 1.196 1.204 ( 0.087 0.700 0.644) 0.955 1.224 ( 1.847 2.203 -1.370) 3.185 1.286 ( 2.196 0.603 -0.276) 2.294 1.313 ( 0.948 -0.453 -0.481) 1.156 1.358 ( 2.619 3.234 -0.329) 4.174 1.390 ( 0.189 -0.926 -0.119) 0.952 1.406 ( -1.865 2.849 1.162) 3.598 1.485 ( 0.265 0.358 -1.661) 1.719 1.509 ( -0.762 6.007 3.806) 7.151 1.553 ( 0.610 -0.639 -1.294) 1.567 1.608 ( -0.748 4.958 0.903) 5.095 1.661 ( 2.867 -0.091 0.509) 2.914 1.668 ( 0.432 1.109 -0.618) 1.341 1.756 ( 1.115 0.196 -0.843) 1.412 1.812 ( 2.291 -0.032 3.236) 3.965 1.966 ( -1.971 0.907 1.330) 2.545 1.977 ( -1.092 -2.624 -2.006) 3.479 2.034 ( -1.465 3.345 -0.453) 3.680 2.676 ( 1.083 -0.045 0.776) 1.333 2.782 ( 0.265 0.144 -1.146) 1.185 2.858 ( -2.063 -3.050 -1.198) 3.872 2.985 ( 0.382 0.661 -0.830) 1.128 3.101 ( -1.280 -5.801 -0.316) 5.949 3.276 ( 1.474 -2.069 6.034) 6.546 3.348 ( 4.193 -4.168 0.144) 5.914 3.378 ( 2.604 -0.865 0.363) 2.768 3.459 ( -2.661 -1.132 -0.717) 2.979 3.603 ( -1.900 -3.616 1.720) 4.432 3.672 ( 1.330 -1.338 -0.452) 1.940 3.813 ( -4.748 0.942 0.235) 4.847 4.271 ( -0.462 0.134 3.843) 3.873 4.331 ( -1.513 -0.619 2.384) 2.891 4.828 ( -0.638 -0.418 -4.003) 4.075 4.872 ( -1.122 -1.161 -4.821) 5.085 4.909 ( -0.255 -0.508 -1.554) 1.655 4.978 ( 0.540 0.250 0.854) 1.041 5.781 ( -0.111 4.177 2.121) 4.686 5.817 ( -0.210 6.631 0.948) 6.701 6.301 ( -0.669 0.556 -2.905) 3.032 6.372 ( -1.775 1.637 -3.833) 4.530 6.390 ( -2.064 2.708 -4.150) 5.368 6.517 ( 2.389 -2.452 0.537) 3.466 6.676 ( -1.456 -6.604 1.479) 6.923 6.739 ( 1.195 -7.823 3.175) 8.527 6.868 ( 2.689 -6.707 2.150) 7.539 6.942 ( -1.050 -9.799 3.888) 10.594 6.965 ( 1.377 -7.277 -1.772) 7.615 7.050 ( -1.759 -9.415 0.320) 9.583 8.324 ( 0.102 1.022 -1.004) 1.437 8.375 ( 0.634 -0.789 1.596) 1.890 8.537 ( 1.248 -1.334 -0.613) 1.927 8.552 ( 0.169 -2.338 -0.834) 2.488 9.694 ( 0.418 -2.335 4.374) 4.976 9.846 ( -3.274 -4.792 1.942) 6.120 9.964 ( 2.640 -4.740 -1.639) 5.668 10.106 ( 0.691 -10.221 -0.993) 10.292 11.597 ( -0.762 2.647 1.712) 3.243 11.673 ( 0.525 2.312 -0.334) 2.395 11.769 ( -0.041 4.700 -0.472) 4.724 11.846 ( -0.856 3.158 -0.977) 3.414 12.427 ( -1.229 4.297 1.639) 4.760 12.476 ( -2.385 3.583 1.323) 4.503 12.532 ( -0.738 3.740 0.346) 3.828 12.658 ( 1.445 3.172 0.213) 3.492 12.696 ( -2.144 1.329 -2.978) 3.903 12.836 ( 0.349 5.560 4.908) 7.424 13.001 ( -0.682 1.829 -2.276) 2.999 13.143 ( -1.816 4.185 -1.942) 4.958 20.754 ( 1.779 1.749 -1.912) 3.143 20.969 ( 6.095 -4.421 -0.737) 7.566 21.109 ( -3.675 -2.547 -0.941) 4.569 21.180 ( -2.108 0.950 7.692) 8.032 21.473 ( -1.285 -2.544 -2.529) 3.810 21.691 ( 1.640 1.231 -1.274) 2.414 21.732 ( 1.534 6.036 4.291) 7.563 21.834 ( -3.614 0.814 0.617) 3.756 21.919 ( 0.158 1.020 -1.974) 2.228 22.031 ( 3.251 8.463 -0.644) 9.089 22.294 ( -8.982 -0.502 -1.644) 9.145 22.592 ( -2.007 -15.854 3.874) 16.443 22.792 ( 0.508 -0.811 -1.213) 1.546 22.816 ( 0.983 -0.650 0.382) 1.239 22.836 ( -0.409 -1.214 1.006) 1.629 22.901 ( -2.878 -1.468 -3.664) 4.885 ======================= Grid point 17 (12/90) ======================= q-point: ( 0.43 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 4.849 2.146 -0.166) 5.305 0.511 ( 1.174 0.575 0.933) 1.606 0.573 ( -1.674 5.082 -2.774) 6.027 0.722 ( -2.840 4.491 -1.615) 5.554 0.774 ( 3.158 0.762 -2.716) 4.234 0.826 ( -0.587 -1.519 2.879) 3.308 0.837 ( -0.716 2.588 1.753) 3.207 0.887 ( 0.036 1.180 -1.829) 2.177 0.908 ( 1.231 0.598 0.356) 1.414 1.010 ( -1.948 0.399 1.240) 2.343 1.086 ( 0.521 0.285 0.278) 0.655 1.160 ( -2.391 1.542 0.435) 2.878 1.207 ( 1.108 -0.100 -1.157) 1.605 1.223 ( -0.166 1.824 -0.918) 2.049 1.310 ( 0.694 1.572 -0.278) 1.740 1.332 ( 2.072 -0.972 0.122) 2.292 1.375 ( -0.012 0.096 -0.537) 0.546 1.389 ( 0.350 0.223 -1.094) 1.170 1.397 ( -1.087 1.789 1.394) 2.515 1.462 ( 0.188 -0.309 -1.425) 1.470 1.471 ( -2.218 2.543 -0.710) 3.448 1.587 ( 0.496 1.997 1.828) 2.753 1.625 ( 0.863 2.495 -0.162) 2.645 1.674 ( -0.126 4.086 1.076) 4.227 1.700 ( 1.486 1.335 -0.243) 2.012 1.767 ( 0.737 0.500 -0.368) 0.964 1.886 ( 2.188 -0.032 3.420) 4.060 1.941 ( -0.304 -0.232 -1.118) 1.182 1.947 ( -1.904 -0.160 -0.701) 2.035 2.010 ( -0.805 4.380 -0.209) 4.459 2.702 ( 0.857 -0.187 0.575) 1.049 2.780 ( 0.984 -1.614 -0.835) 2.066 2.809 ( -2.518 -3.002 -0.352) 3.934 2.965 ( -0.389 4.746 -1.519) 4.998 3.107 ( 0.323 -8.628 1.314) 8.734 3.344 ( 1.649 -0.360 1.736) 2.421 3.372 ( -0.152 -2.195 -1.300) 2.556 3.397 ( -0.299 -5.994 1.053) 6.093 3.463 ( 1.810 2.147 0.698) 2.893 3.591 ( -1.594 -3.442 1.592) 4.114 3.664 ( 0.089 -5.751 -2.627) 6.323 3.755 ( -2.319 3.360 0.868) 4.174 4.306 ( 0.015 -0.176 2.181) 2.188 4.338 ( -0.385 -1.248 1.772) 2.202 4.787 ( -0.502 -0.326 -1.544) 1.656 4.807 ( -0.428 -1.408 -3.591) 3.881 4.900 ( -0.052 -0.234 -0.213) 0.321 4.991 ( 0.239 0.093 0.303) 0.397 5.799 ( -0.081 4.841 1.073) 4.959 5.824 ( 0.067 5.948 0.624) 5.981 6.277 ( -0.088 1.506 -0.572) 1.613 6.317 ( -0.881 3.244 -2.155) 3.992 6.328 ( -1.026 3.801 -1.961) 4.398 6.573 ( 2.979 -4.945 0.977) 5.855 6.645 ( -2.560 -7.882 -0.431) 8.299 6.776 ( 0.380 -8.547 1.262) 8.648 6.908 ( 0.825 -3.578 0.647) 3.728 6.961 ( -0.185 -5.313 0.456) 5.336 6.985 ( 1.412 -11.210 1.651) 11.419 7.022 ( -1.466 -10.202 -0.734) 10.333 8.316 ( -0.003 0.650 -0.445) 0.787 8.399 ( 0.467 -1.094 0.881) 1.480 8.536 ( 0.158 -1.224 -1.005) 1.592 8.556 ( 0.292 -2.426 0.234) 2.455 9.728 ( -0.087 -1.829 1.609) 2.437 9.816 ( -1.401 -3.694 0.551) 3.989 9.981 ( 1.179 -4.737 -0.979) 4.978 10.113 ( 0.326 -12.118 0.060) 12.123 11.600 ( -0.367 2.916 0.693) 3.019 11.678 ( 0.293 2.901 -0.107) 2.917 11.765 ( -0.068 3.987 -0.145) 3.990 11.826 ( -0.402 3.605 -0.545) 3.668 12.423 ( -0.725 3.716 0.558) 3.826 12.480 ( 0.335 4.560 2.047) 5.010 12.532 ( -0.055 2.197 0.307) 2.219 12.619 ( -2.174 2.282 -2.406) 3.965 12.687 ( 0.854 2.578 0.095) 2.718 12.890 ( -0.480 5.596 5.467) 7.838 12.959 ( 0.528 5.191 -4.942) 7.187 13.114 ( -0.811 2.481 -0.099) 2.612 20.765 ( 1.145 1.782 -0.715) 2.236 21.000 ( -0.611 -4.099 -2.469) 4.824 21.077 ( 1.584 -5.725 0.698) 5.980 21.215 ( -2.316 2.864 4.188) 5.577 21.443 ( 0.466 -4.072 -1.513) 4.369 21.711 ( 2.730 1.846 -1.398) 3.579 21.767 ( -4.332 2.315 0.375) 4.926 21.809 ( 1.179 8.393 5.088) 9.886 21.884 ( -0.143 7.080 -4.059) 8.163 22.071 ( 2.274 6.446 0.097) 6.836 22.170 ( -4.729 -1.720 -0.751) 5.088 22.607 ( -0.609 -19.098 2.323) 19.249 22.794 ( 0.887 -0.688 -0.572) 1.260 22.819 ( -0.749 -2.315 -0.150) 2.438 22.841 ( 0.045 -0.866 0.221) 0.895 22.850 ( -0.572 0.078 -0.857) 1.033 ======================= Grid point 21 (13/90) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.448 ( 0.000 3.861 0.000) 3.861 0.562 ( 0.000 8.825 0.000) 8.825 0.611 ( 0.000 -0.560 0.000) 0.560 0.780 ( 0.000 0.365 0.000) 0.365 0.855 ( 0.000 4.636 0.000) 4.636 0.903 ( 0.000 -1.764 0.000) 1.764 0.937 ( 0.000 2.965 0.000) 2.965 1.014 ( 0.000 -1.391 0.000) 1.391 1.021 ( 0.000 2.321 0.000) 2.321 1.084 ( 0.000 -1.193 0.000) 1.193 1.117 ( 0.000 3.682 0.000) 3.682 1.174 ( 0.000 1.844 0.000) 1.844 1.183 ( 0.000 1.235 0.000) 1.235 1.252 ( 0.000 0.501 0.000) 0.501 1.269 ( 0.000 -1.456 0.000) 1.456 1.302 ( 0.000 1.850 0.000) 1.850 1.370 ( 0.000 0.203 0.000) 0.203 1.393 ( 0.000 1.681 0.000) 1.681 1.482 ( 0.000 0.266 0.000) 0.266 1.494 ( 0.000 2.711 0.000) 2.711 1.525 ( 0.000 1.313 0.000) 1.313 1.543 ( 0.000 1.947 0.000) 1.947 1.579 ( 0.000 -0.665 0.000) 0.665 1.625 ( 0.000 -0.213 0.000) 0.213 1.694 ( 0.000 -2.431 0.000) 2.431 1.785 ( 0.000 -2.055 0.000) 2.055 1.817 ( 0.000 11.503 0.000) 11.503 1.963 ( 0.000 -0.303 0.000) 0.303 1.974 ( 0.000 -2.820 0.000) 2.820 2.106 ( 0.000 2.537 0.000) 2.537 2.671 ( 0.000 0.988 0.000) 0.988 2.800 ( 0.000 0.319 0.000) 0.319 2.863 ( 0.000 -6.070 0.000) 6.070 2.871 ( 0.000 -0.280 0.000) 0.280 3.094 ( 0.000 1.599 0.000) 1.599 3.167 ( 0.000 1.568 0.000) 1.568 3.293 ( 0.000 1.909 0.000) 1.909 3.314 ( 0.000 -1.740 0.000) 1.740 3.433 ( 0.000 -3.388 0.000) 3.388 3.571 ( 0.000 -1.696 0.000) 1.696 3.613 ( 0.000 -2.590 0.000) 2.590 3.866 ( 0.000 -5.439 0.000) 5.439 4.274 ( 0.000 1.693 0.000) 1.693 4.334 ( 0.000 -0.734 0.000) 0.734 4.866 ( 0.000 -1.175 0.000) 1.175 4.914 ( 0.000 0.900 0.000) 0.900 4.969 ( 0.000 1.029 0.000) 1.029 4.971 ( 0.000 -0.792 0.000) 0.792 5.829 ( 0.000 3.226 0.000) 3.226 5.873 ( 0.000 1.984 0.000) 1.984 6.321 ( 0.000 -5.731 0.000) 5.731 6.431 ( 0.000 -0.724 0.000) 0.724 6.462 ( 0.000 -3.298 0.000) 3.298 6.531 ( 0.000 -3.056 0.000) 3.056 6.535 ( 0.000 -0.514 0.000) 0.514 6.576 ( 0.000 -2.441 0.000) 2.441 6.712 ( 0.000 -2.764 0.000) 2.764 6.734 ( 0.000 -12.182 0.000) 12.182 6.773 ( 0.000 -6.990 0.000) 6.990 6.862 ( 0.000 -7.086 0.000) 7.086 8.357 ( 0.000 0.648 0.000) 0.648 8.362 ( 0.000 1.655 0.000) 1.655 8.484 ( 0.000 -1.872 0.000) 1.872 8.509 ( 0.000 -1.867 0.000) 1.867 9.609 ( 0.000 1.444 0.000) 1.444 9.761 ( 0.000 -4.177 0.000) 4.177 9.817 ( 0.000 -4.714 0.000) 4.714 9.996 ( 0.000 -7.540 0.000) 7.540 11.635 ( 0.000 2.516 0.000) 2.516 11.695 ( 0.000 1.111 0.000) 1.111 11.868 ( 0.000 4.088 0.000) 4.088 11.924 ( 0.000 2.267 0.000) 2.267 12.521 ( 0.000 3.460 0.000) 3.460 12.542 ( 0.000 2.992 0.000) 2.992 12.666 ( 0.000 1.445 0.000) 1.445 12.688 ( 0.000 0.951 0.000) 0.951 12.832 ( 0.000 2.471 0.000) 2.471 12.857 ( 0.000 6.801 0.000) 6.801 12.965 ( 0.000 -1.222 0.000) 1.222 13.263 ( 0.000 -1.764 0.000) 1.764 20.691 ( 0.000 2.006 0.000) 2.006 20.954 ( 0.000 2.947 0.000) 2.947 20.988 ( 0.000 -3.636 0.000) 3.636 21.250 ( 0.000 -5.391 0.000) 5.391 21.543 ( 0.000 -1.956 0.000) 1.956 21.601 ( 0.000 4.874 0.000) 4.874 21.709 ( 0.000 0.823 0.000) 0.823 21.836 ( 0.000 -2.506 0.000) 2.506 21.948 ( 0.000 0.862 0.000) 0.862 22.099 ( 0.000 -3.005 0.000) 3.005 22.198 ( 0.000 -5.281 0.000) 5.281 22.597 ( 0.000 -1.835 0.000) 1.835 22.752 ( 0.000 0.352 0.000) 0.352 22.797 ( 0.000 -0.319 0.000) 0.319 22.831 ( 0.000 0.674 0.000) 0.674 23.016 ( 0.000 -4.744 0.000) 4.744 ======================= Grid point 22 (14/90) ======================= q-point: ( 0.14 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.443 ( 0.135 4.803 0.192) 4.809 0.566 ( 0.727 6.306 -0.720) 6.388 0.658 ( 1.727 -0.023 4.516) 4.835 0.767 ( -1.453 1.515 1.013) 2.331 0.853 ( 1.520 6.733 -3.609) 7.789 0.871 ( -1.870 0.714 -0.847) 2.173 0.935 ( 0.614 -0.018 -1.051) 1.218 0.983 ( -1.702 3.584 -3.048) 5.003 1.007 ( -1.045 1.699 -1.930) 2.775 1.059 ( -3.685 -0.764 3.603) 5.210 1.148 ( 1.851 1.567 -1.092) 2.660 1.161 ( -1.909 -0.426 -1.153) 2.271 1.194 ( 2.465 1.266 0.457) 2.808 1.220 ( -0.733 1.072 -0.038) 1.299 1.286 ( 0.826 -1.237 -0.048) 1.488 1.312 ( -0.656 1.689 -0.273) 1.832 1.373 ( 0.184 1.197 2.611) 2.878 1.398 ( 0.136 1.244 -1.018) 1.614 1.478 ( 2.722 1.489 -0.509) 3.144 1.490 ( -1.415 0.676 -1.287) 2.029 1.533 ( -0.059 0.054 -0.591) 0.596 1.561 ( 0.304 -0.329 1.386) 1.457 1.583 ( 2.334 0.602 0.169) 2.416 1.638 ( -0.271 -1.382 0.300) 1.440 1.696 ( 1.944 -0.469 -0.857) 2.176 1.777 ( -0.207 -0.533 -1.451) 1.560 1.840 ( 0.483 10.338 3.262) 10.851 1.956 ( -0.993 -1.530 -0.008) 1.824 1.971 ( -1.202 -0.923 1.503) 2.134 2.105 ( -0.577 2.061 0.579) 2.217 2.677 ( 0.522 1.351 0.476) 1.524 2.795 ( -0.249 0.120 -0.292) 0.402 2.854 ( -1.263 -3.693 -0.346) 3.918 2.888 ( 0.612 -2.842 2.219) 3.657 3.118 ( 0.415 0.894 0.260) 1.019 3.144 ( -1.058 0.478 1.549) 1.935 3.313 ( 2.429 2.804 -1.380) 3.958 3.321 ( 0.722 -2.787 1.168) 3.106 3.438 ( 0.731 -2.591 -1.069) 2.897 3.551 ( -2.026 -3.250 0.602) 3.877 3.624 ( 0.987 -1.832 -0.392) 2.118 3.845 ( -2.378 -4.628 0.080) 5.204 4.278 ( -0.677 1.952 1.955) 2.844 4.324 ( -1.346 -0.456 0.663) 1.568 4.845 ( -0.172 -1.624 -3.465) 3.830 4.914 ( -0.297 1.045 -0.973) 1.458 4.926 ( -0.717 -1.463 -4.516) 4.801 4.982 ( 0.290 1.224 0.491) 1.350 5.840 ( 0.038 3.605 2.130) 4.187 5.897 ( 0.611 2.901 2.831) 4.099 6.312 ( -0.905 -3.839 0.004) 3.945 6.407 ( -1.532 -1.968 -0.617) 2.569 6.461 ( 0.400 -1.557 -1.542) 2.228 6.512 ( 0.821 0.497 -2.960) 3.112 6.555 ( -1.525 -4.412 1.592) 4.932 6.577 ( 0.013 -4.174 2.142) 4.691 6.719 ( -0.429 -5.237 2.109) 5.661 6.751 ( 2.340 -8.378 -1.089) 8.767 6.766 ( 0.710 -7.986 -1.514) 8.159 6.871 ( 0.122 -7.643 1.062) 7.717 8.351 ( -0.370 0.352 -0.517) 0.727 8.364 ( 0.165 1.453 0.049) 1.463 8.489 ( 0.496 -1.913 0.264) 1.994 8.516 ( 0.909 -1.523 -0.470) 1.835 9.625 ( 0.487 0.629 2.341) 2.472 9.766 ( -1.199 -4.112 2.265) 4.845 9.832 ( 2.197 -4.891 -0.590) 5.394 9.973 ( -1.010 -7.486 -2.508) 7.960 11.641 ( -0.447 2.640 1.824) 3.239 11.700 ( 0.393 1.304 0.319) 1.398 11.863 ( 0.193 3.922 -1.319) 4.143 11.915 ( -0.443 2.157 -0.924) 2.388 12.514 ( -1.266 3.576 1.093) 3.948 12.539 ( -0.572 2.643 0.299) 2.721 12.656 ( -1.453 1.998 -1.618) 2.953 12.684 ( 0.920 1.969 0.130) 2.177 12.790 ( -3.142 2.793 -0.605) 4.248 12.882 ( 0.053 3.977 2.977) 4.968 12.991 ( 2.374 0.404 0.181) 2.414 13.247 ( -0.524 -0.208 -2.038) 2.115 20.731 ( 3.620 1.138 0.923) 3.906 20.924 ( -0.453 1.633 -3.695) 4.065 21.024 ( 1.334 -3.527 4.448) 5.832 21.206 ( -4.792 -4.010 -0.654) 6.283 21.513 ( -2.296 -0.065 -1.503) 2.745 21.630 ( 3.898 -0.351 -1.999) 4.395 21.749 ( 0.721 3.864 6.869) 7.915 21.831 ( -1.192 -2.629 0.737) 2.980 21.959 ( -0.780 1.203 2.684) 3.043 22.118 ( 1.006 -9.326 1.195) 9.456 22.180 ( -0.496 1.219 -1.262) 1.823 22.553 ( -2.675 -0.939 -4.293) 5.144 22.761 ( 0.834 -0.348 0.039) 0.904 22.805 ( 0.182 -0.207 1.043) 1.079 22.826 ( -0.061 0.441 -0.881) 0.987 22.967 ( -3.010 -2.859 -3.391) 5.360 ======================= Grid point 23 (15/90) ======================= q-point: ( 0.29 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.477 ( 2.282 5.797 2.666) 6.776 0.565 ( -0.339 5.367 0.925) 5.456 0.731 ( 0.365 0.110 3.229) 3.251 0.749 ( -1.074 0.764 0.497) 1.408 0.833 ( 2.734 7.244 -4.637) 9.025 0.867 ( 0.567 3.828 -1.399) 4.115 0.911 ( -1.361 2.911 -3.014) 4.406 0.931 ( -0.826 2.201 -1.009) 2.558 0.955 ( -2.562 1.661 -0.855) 3.171 1.043 ( -2.463 1.798 2.991) 4.272 1.114 ( -1.628 -0.582 -1.877) 2.552 1.169 ( 0.923 -0.013 0.702) 1.159 1.207 ( -0.639 -0.035 0.459) 0.788 1.248 ( 2.991 1.058 -0.255) 3.183 1.284 ( -1.623 -1.173 1.566) 2.542 1.318 ( 1.405 0.777 -0.233) 1.622 1.368 ( -0.117 0.390 -1.648) 1.697 1.416 ( 1.462 2.061 0.068) 2.528 1.456 ( -1.498 1.869 -0.284) 2.412 1.490 ( -0.627 0.230 -3.178) 3.248 1.541 ( 0.790 -0.407 1.059) 1.382 1.565 ( -0.449 0.235 1.189) 1.293 1.627 ( 0.669 -0.752 -1.642) 1.927 1.645 ( 3.515 -0.917 1.376) 3.884 1.731 ( 2.161 0.800 0.071) 2.306 1.761 ( 0.664 -0.227 -1.552) 1.703 1.882 ( 0.245 6.847 3.139) 7.536 1.932 ( -1.744 -1.754 0.151) 2.478 1.970 ( -1.087 0.773 1.891) 2.314 2.096 ( -1.247 1.838 0.516) 2.280 2.696 ( 0.863 1.586 0.866) 2.002 2.787 ( -0.288 0.070 -0.485) 0.569 2.816 ( -2.180 -1.490 -1.026) 2.833 2.927 ( 0.654 -4.896 2.874) 5.714 3.080 ( -0.845 1.748 -2.438) 3.117 3.201 ( 0.928 -2.478 5.538) 6.138 3.327 ( 0.914 -0.708 -0.363) 1.212 3.354 ( 0.875 -1.426 -0.700) 1.814 3.432 ( 1.180 -1.941 -0.726) 2.385 3.536 ( -0.370 -2.891 0.186) 2.920 3.619 ( -0.863 -2.381 -1.287) 2.841 3.805 ( -2.536 -2.122 0.662) 3.372 4.292 ( -0.594 1.766 2.651) 3.240 4.314 ( -1.299 -0.090 1.941) 2.337 4.799 ( -0.254 -2.190 -4.505) 5.015 4.841 ( -1.209 -1.797 -6.443) 6.797 4.910 ( -0.129 0.801 -0.705) 1.075 4.994 ( 0.401 1.138 0.566) 1.333 5.871 ( 0.387 4.439 3.037) 5.393 5.932 ( 0.089 4.454 2.182) 4.961 6.302 ( -0.690 -0.263 1.130) 1.350 6.387 ( -0.709 -1.604 0.172) 1.763 6.436 ( -0.589 0.494 -2.916) 3.016 6.495 ( 0.501 1.119 -2.353) 2.653 6.535 ( -2.149 -6.684 0.856) 7.073 6.597 ( 0.414 -5.920 0.465) 5.953 6.736 ( -0.487 -9.074 2.423) 9.404 6.772 ( 1.731 -5.859 0.032) 6.110 6.786 ( 2.620 -8.997 -1.027) 9.427 6.879 ( -0.428 -7.429 0.613) 7.466 8.337 ( -0.501 0.223 -0.634) 0.838 8.367 ( 0.329 0.184 -0.206) 0.430 8.504 ( 0.409 -1.757 1.010) 2.068 8.524 ( 1.091 -0.753 -1.086) 1.714 9.665 ( 0.613 -0.789 3.012) 3.174 9.762 ( -1.553 -3.367 1.498) 3.999 9.867 ( 2.211 -5.194 -0.161) 5.648 9.927 ( -0.814 -7.885 -2.793) 8.404 11.655 ( -0.580 3.083 2.390) 3.944 11.714 ( 0.600 1.777 0.722) 2.010 11.848 ( 0.031 3.388 -1.848) 3.859 11.894 ( -0.530 1.864 -1.507) 2.455 12.509 ( -0.837 3.778 1.164) 4.041 12.534 ( -1.021 2.681 2.030) 3.514 12.609 ( -1.652 3.262 -1.542) 3.968 12.702 ( 0.597 0.395 -1.740) 1.881 12.736 ( -1.540 3.747 -0.387) 4.069 12.916 ( -1.789 1.827 6.097) 6.611 13.027 ( 3.250 2.689 -2.276) 4.793 13.213 ( -0.711 2.221 -2.211) 3.214 20.790 ( 2.601 1.757 -0.659) 3.208 20.902 ( 2.178 -2.356 -1.980) 3.770 21.066 ( -3.852 -1.884 -0.922) 4.387 21.146 ( -0.313 -4.078 5.984) 7.248 21.448 ( -2.085 -0.023 -3.993) 4.505 21.670 ( 3.204 -2.220 -1.352) 4.126 21.804 ( -3.070 -2.771 1.803) 4.512 21.865 ( 2.387 6.691 8.830) 11.332 21.948 ( -2.971 -1.323 0.819) 3.353 22.146 ( -1.117 -11.506 5.839) 12.951 22.192 ( 4.034 7.293 -3.124) 8.901 22.429 ( -4.472 0.126 -8.002) 9.168 22.774 ( 0.931 -0.625 -0.397) 1.190 22.809 ( -0.587 -1.001 -0.626) 1.318 22.822 ( 0.382 0.428 0.573) 0.811 22.889 ( -2.184 -0.529 -2.443) 3.319 ======================= Grid point 24 (16/90) ======================= q-point: ( 0.43 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.543 ( 1.783 4.068 1.188) 4.598 0.598 ( 1.425 6.627 4.480) 8.126 0.685 ( -1.875 4.485 -3.378) 5.920 0.784 ( -1.120 0.560 2.387) 2.695 0.804 ( 0.019 3.244 -3.929) 5.095 0.846 ( 0.845 4.168 -1.281) 4.442 0.896 ( -0.074 3.071 0.413) 3.099 0.913 ( -0.566 2.672 -1.193) 2.980 0.935 ( 0.356 1.383 0.578) 1.541 1.036 ( -1.406 1.968 1.433) 2.811 1.081 ( -0.004 -0.894 -1.348) 1.618 1.186 ( -0.599 0.565 2.180) 2.330 1.202 ( 0.491 -0.126 -1.708) 1.782 1.258 ( -0.163 1.112 -0.629) 1.287 1.300 ( 0.047 -0.609 1.776) 1.878 1.343 ( 1.337 0.850 1.402) 2.115 1.360 ( 0.738 0.179 -1.039) 1.287 1.420 ( -1.235 2.215 -1.181) 2.798 1.439 ( 0.680 0.862 -1.462) 1.829 1.447 ( -0.768 0.338 -0.569) 1.014 1.525 ( -0.958 2.234 -0.516) 2.485 1.589 ( 0.017 -1.865 1.730) 2.544 1.623 ( 0.681 0.292 -1.331) 1.524 1.710 ( 1.998 0.081 1.335) 2.405 1.751 ( 0.654 0.999 -0.720) 1.394 1.770 ( 1.055 -0.905 -0.396) 1.446 1.902 ( -0.173 0.716 0.729) 1.036 1.914 ( -0.834 0.675 0.562) 1.211 1.972 ( -0.502 1.213 0.994) 1.647 2.081 ( -0.753 2.056 0.120) 2.193 2.715 ( 0.468 1.358 0.446) 1.504 2.768 ( -0.981 0.781 -0.702) 1.437 2.788 ( -0.356 -0.370 -0.081) 0.520 2.954 ( 0.107 -6.513 0.940) 6.582 3.062 ( 0.275 3.656 -0.480) 3.698 3.260 ( 0.370 -4.319 3.102) 5.330 3.324 ( -0.805 -2.885 -1.397) 3.305 3.337 ( 0.028 -2.167 -0.297) 2.187 3.477 ( 2.775 -3.471 0.717) 4.501 3.534 ( 0.089 -2.099 -0.284) 2.120 3.574 ( -2.245 0.127 -1.313) 2.603 3.785 ( -0.840 -0.325 0.507) 1.033 4.307 ( -0.224 0.639 1.260) 1.430 4.321 ( -0.357 0.177 1.472) 1.525 4.758 ( -0.237 -2.298 -2.076) 3.106 4.773 ( -0.443 -1.817 -3.194) 3.701 4.902 ( -0.086 0.677 -0.297) 0.744 5.003 ( 0.175 0.916 0.203) 0.955 5.905 ( 0.365 5.139 1.913) 5.496 5.941 ( -0.231 5.064 0.090) 5.070 6.316 ( 0.058 1.994 1.950) 2.790 6.379 ( -0.407 1.394 -0.151) 1.460 6.397 ( -0.566 2.637 -2.054) 3.390 6.487 ( 1.362 -2.675 -1.727) 3.463 6.507 ( -2.075 -5.379 0.689) 5.806 6.604 ( 0.206 -8.263 -0.010) 8.266 6.749 ( -0.167 -10.526 1.033) 10.578 6.793 ( 0.774 -11.214 -0.309) 11.245 6.827 ( 2.354 -5.301 0.830) 5.860 6.866 ( -1.408 -6.049 -0.349) 6.220 8.326 ( -0.209 0.374 -0.273) 0.508 8.369 ( 0.178 -1.408 -0.163) 1.429 8.514 ( -0.107 -0.964 0.347) 1.030 8.532 ( 0.684 -0.557 -0.346) 0.947 9.690 ( -0.145 -2.173 0.932) 2.369 9.759 ( -0.294 -1.717 0.980) 1.999 9.889 ( 0.694 -4.584 -0.833) 4.711 9.900 ( -0.084 -9.416 -0.470) 9.428 11.667 ( -0.255 3.667 1.125) 3.844 11.729 ( 0.324 2.278 0.565) 2.370 11.831 ( -0.115 2.773 -1.008) 2.953 11.874 ( -0.225 1.508 -0.843) 1.743 12.507 ( -0.453 4.277 0.606) 4.343 12.558 ( 0.187 3.051 3.250) 4.461 12.579 ( -0.100 2.567 -1.545) 2.998 12.650 ( -1.796 1.018 -2.664) 3.370 12.746 ( 0.570 3.437 0.510) 3.521 12.941 ( -1.118 0.043 3.110) 3.305 13.048 ( 1.854 4.703 -1.675) 5.325 13.185 ( -0.553 3.487 -0.899) 3.644 20.814 ( 1.600 3.082 -0.244) 3.481 20.920 ( 0.218 -3.981 -1.662) 4.320 20.981 ( -2.029 -3.710 -0.595) 4.270 21.234 ( 0.699 -1.482 6.188) 6.401 21.377 ( -0.714 -2.095 -4.401) 4.926 21.708 ( 3.242 -2.240 -1.226) 4.128 21.760 ( -4.010 -1.675 1.313) 4.540 21.898 ( -1.587 -2.324 -0.094) 2.816 22.013 ( 2.937 7.029 8.279) 11.251 22.185 ( -0.551 -1.260 -0.641) 1.517 22.211 ( 0.455 5.383 0.855) 5.470 22.283 ( -1.956 -5.171 -6.593) 8.604 22.782 ( 0.644 -0.480 -0.494) 0.943 22.793 ( -0.573 -0.781 -0.208) 0.990 22.833 ( 0.301 -0.178 0.545) 0.648 22.850 ( -0.808 -0.152 -0.870) 1.196 ======================= Grid point 28 (17/90) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.564 ( 0.000 6.801 0.000) 6.801 0.642 ( 0.000 3.187 0.000) 3.187 0.709 ( 0.000 6.207 0.000) 6.207 0.792 ( 0.000 -0.212 0.000) 0.212 0.872 ( 0.000 -2.062 0.000) 2.062 0.881 ( 0.000 -0.545 0.000) 0.545 0.963 ( 0.000 -2.435 0.000) 2.435 0.976 ( 0.000 1.049 0.000) 1.049 1.058 ( 0.000 2.393 0.000) 2.393 1.079 ( 0.000 0.777 0.000) 0.777 1.184 ( 0.000 -0.245 0.000) 0.245 1.191 ( 0.000 -0.863 0.000) 0.863 1.224 ( 0.000 4.719 0.000) 4.719 1.242 ( 0.000 0.249 0.000) 0.249 1.289 ( 0.000 1.787 0.000) 1.787 1.322 ( 0.000 -0.212 0.000) 0.212 1.392 ( 0.000 2.376 0.000) 2.376 1.434 ( 0.000 1.293 0.000) 1.293 1.472 ( 0.000 0.746 0.000) 0.746 1.516 ( 0.000 -0.990 0.000) 0.990 1.549 ( 0.000 -1.932 0.000) 1.932 1.550 ( 0.000 -0.552 0.000) 0.552 1.573 ( 0.000 3.730 0.000) 3.730 1.623 ( 0.000 -0.129 0.000) 0.129 1.642 ( 0.000 -1.734 0.000) 1.734 1.725 ( 0.000 -3.605 0.000) 3.605 1.922 ( 0.000 0.209 0.000) 0.209 1.951 ( 0.000 -0.829 0.000) 0.829 2.054 ( 0.000 6.911 0.000) 6.911 2.130 ( 0.000 0.179 0.000) 0.179 2.683 ( 0.000 0.001 0.000) 0.001 2.751 ( 0.000 -4.967 0.000) 4.967 2.809 ( 0.000 0.713 0.000) 0.713 2.853 ( 0.000 -1.358 0.000) 1.358 3.125 ( 0.000 1.737 0.000) 1.737 3.218 ( 0.000 -4.185 0.000) 4.185 3.243 ( 0.000 5.326 0.000) 5.326 3.370 ( 0.000 2.836 0.000) 2.836 3.417 ( 0.000 0.942 0.000) 0.942 3.538 ( 0.000 -1.961 0.000) 1.961 3.560 ( 0.000 -2.079 0.000) 2.079 3.715 ( 0.000 -8.700 0.000) 8.700 4.326 ( 0.000 2.538 0.000) 2.538 4.331 ( 0.000 0.704 0.000) 0.704 4.862 ( 0.000 0.888 0.000) 0.888 4.934 ( 0.000 -0.230 0.000) 0.230 4.955 ( 0.000 0.466 0.000) 0.466 4.991 ( 0.000 0.859 0.000) 0.859 5.868 ( 0.000 0.719 0.000) 0.719 5.885 ( 0.000 -0.459 0.000) 0.459 6.225 ( 0.000 -2.817 0.000) 2.817 6.366 ( 0.000 -6.346 0.000) 6.346 6.407 ( 0.000 -2.055 0.000) 2.055 6.460 ( 0.000 -7.522 0.000) 7.522 6.514 ( 0.000 -1.610 0.000) 1.610 6.528 ( 0.000 -0.446 0.000) 0.446 6.552 ( 0.000 -2.789 0.000) 2.789 6.590 ( 0.000 -5.338 0.000) 5.338 6.764 ( 0.000 2.004 0.000) 2.004 6.808 ( 0.000 -0.415 0.000) 0.415 8.366 ( 0.000 0.481 0.000) 0.481 8.389 ( 0.000 0.577 0.000) 0.577 8.455 ( 0.000 -0.632 0.000) 0.632 8.483 ( 0.000 -1.042 0.000) 1.042 9.654 ( 0.000 3.315 0.000) 3.315 9.703 ( 0.000 -1.652 0.000) 1.652 9.739 ( 0.000 -3.153 0.000) 3.153 9.855 ( 0.000 -6.769 0.000) 6.769 11.678 ( 0.000 1.859 0.000) 1.859 11.709 ( 0.000 0.275 0.000) 0.275 11.934 ( 0.000 2.557 0.000) 2.557 11.958 ( 0.000 1.184 0.000) 1.184 12.573 ( 0.000 2.027 0.000) 2.027 12.594 ( 0.000 1.893 0.000) 1.893 12.679 ( 0.000 0.174 0.000) 0.174 12.698 ( 0.000 0.023 0.000) 0.023 12.870 ( 0.000 1.385 0.000) 1.385 12.899 ( 0.000 -0.548 0.000) 0.548 13.031 ( 0.000 6.031 0.000) 6.031 13.216 ( 0.000 -3.181 0.000) 3.181 20.753 ( 0.000 4.536 0.000) 4.536 20.933 ( 0.000 -2.004 0.000) 2.004 20.982 ( 0.000 -0.079 0.000) 0.079 21.085 ( 0.000 -9.397 0.000) 9.397 21.566 ( 0.000 3.056 0.000) 3.056 21.705 ( 0.000 5.390 0.000) 5.390 21.733 ( 0.000 1.636 0.000) 1.636 21.769 ( 0.000 -5.199 0.000) 5.199 21.864 ( 0.000 -8.424 0.000) 8.424 21.921 ( 0.000 -3.459 0.000) 3.459 22.339 ( 0.000 8.377 0.000) 8.377 22.553 ( 0.000 -2.873 0.000) 2.873 22.767 ( 0.000 1.115 0.000) 1.115 22.796 ( 0.000 0.012 0.000) 0.012 22.846 ( 0.000 0.925 0.000) 0.925 22.931 ( 0.000 -3.843 0.000) 3.843 ======================= Grid point 29 (18/90) ======================= q-point: ( 0.14 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.569 ( -0.035 6.834 1.447) 6.986 0.656 ( -0.293 3.018 1.714) 3.483 0.717 ( 0.897 5.009 1.080) 5.202 0.773 ( -1.526 -0.832 -0.799) 1.913 0.888 ( 0.707 -1.409 1.355) 2.079 0.898 ( 0.797 0.995 1.107) 1.689 0.932 ( 0.827 0.134 -3.297) 3.401 0.993 ( 1.672 -1.546 -1.532) 2.745 1.052 ( -2.130 1.920 0.658) 2.942 1.071 ( -1.680 2.372 1.695) 3.365 1.153 ( -3.357 -0.160 0.675) 3.428 1.183 ( -0.684 0.024 -2.009) 2.123 1.215 ( 0.449 0.159 1.313) 1.397 1.249 ( -1.800 0.752 -0.699) 2.072 1.283 ( 2.741 2.315 -0.871) 3.692 1.347 ( -0.865 2.650 0.882) 2.924 1.393 ( 0.865 0.503 -0.215) 1.023 1.427 ( 0.378 1.140 -0.161) 1.211 1.474 ( 0.167 0.005 0.810) 0.828 1.512 ( -0.439 0.309 0.155) 0.559 1.531 ( -0.099 0.255 -1.895) 1.915 1.561 ( 0.660 -0.599 -0.785) 1.188 1.592 ( 2.543 1.618 -0.223) 3.023 1.616 ( -0.114 -0.253 -0.072) 0.287 1.672 ( 2.413 -1.382 0.718) 2.872 1.736 ( 0.870 -3.024 -0.073) 3.147 1.922 ( -1.230 -0.261 1.765) 2.167 1.941 ( -1.287 -0.449 0.280) 1.392 2.053 ( -0.699 5.765 0.580) 5.836 2.119 ( -0.547 -0.224 -0.946) 1.115 2.693 ( 0.649 0.117 0.840) 1.068 2.762 ( 0.458 -4.210 1.045) 4.362 2.804 ( -0.243 0.569 -0.442) 0.760 2.851 ( -0.329 -1.665 0.233) 1.713 3.147 ( 1.146 1.615 1.870) 2.724 3.179 ( -2.439 1.700 -2.071) 3.623 3.265 ( 0.859 -0.750 1.890) 2.207 3.365 ( -0.339 0.967 -0.818) 1.311 3.418 ( 0.217 0.500 -1.527) 1.622 3.493 ( -0.552 -2.095 -2.060) 2.990 3.596 ( 0.916 -0.758 1.287) 1.752 3.720 ( -0.830 -7.152 2.598) 7.655 4.324 ( -0.451 1.924 0.601) 2.065 4.337 ( -0.672 1.816 2.045) 2.817 4.828 ( -0.391 0.186 -5.041) 5.060 4.894 ( -0.849 -1.888 -6.418) 6.743 4.949 ( -0.225 2.377 0.209) 2.397 5.002 ( 0.043 0.590 1.004) 1.166 5.887 ( 0.297 1.224 3.132) 3.376 5.919 ( 0.983 -0.364 4.061) 4.195 6.237 ( 0.571 -2.744 1.398) 3.132 6.337 ( -1.962 -4.789 -0.132) 5.177 6.429 ( 1.077 -2.892 0.258) 3.097 6.451 ( -2.162 -6.062 0.861) 6.493 6.481 ( 0.086 -1.793 -1.556) 2.375 6.552 ( -0.108 0.372 1.265) 1.323 6.564 ( 2.324 -5.533 -1.218) 6.124 6.607 ( 0.936 -4.217 1.040) 4.443 6.754 ( 0.158 1.415 -1.964) 2.425 6.796 ( -0.239 -1.070 -1.617) 1.954 8.358 ( -0.278 0.500 -1.012) 1.163 8.384 ( 0.080 0.207 -1.036) 1.060 8.463 ( 0.360 -0.342 1.008) 1.124 8.493 ( 0.652 -0.996 0.631) 1.347 9.657 ( -0.101 2.659 0.783) 2.774 9.710 ( -0.217 -1.532 1.365) 2.064 9.751 ( 1.353 -3.362 -0.160) 3.628 9.837 ( -0.963 -6.352 -1.688) 6.642 11.686 ( -0.230 1.938 1.922) 2.739 11.717 ( 0.299 0.384 1.022) 1.132 11.925 ( -0.065 2.368 -1.653) 2.889 11.948 ( -0.436 1.096 -1.345) 1.789 12.570 ( -0.639 2.120 0.479) 2.265 12.586 ( -0.868 1.864 0.199) 2.066 12.674 ( -0.007 0.299 -1.482) 1.512 12.698 ( 0.761 -0.266 -0.870) 1.186 12.843 ( -2.475 2.499 0.118) 3.519 12.905 ( -2.016 -0.614 4.009) 4.529 13.060 ( 3.543 5.214 -1.079) 6.395 13.220 ( 1.106 -2.433 -1.037) 2.866 20.775 ( 2.111 3.515 0.548) 4.136 20.931 ( -0.963 -1.626 -4.683) 5.050 20.971 ( 1.257 -1.124 3.948) 4.293 21.088 ( -2.652 -6.796 2.592) 7.742 21.531 ( -1.239 1.941 -4.149) 4.745 21.647 ( 1.207 0.878 -6.483) 6.653 21.755 ( -1.028 -4.611 -0.395) 4.741 21.835 ( -1.128 -1.419 8.452) 8.644 21.842 ( 0.002 -2.701 2.432) 3.634 21.975 ( 0.974 -2.072 7.294) 7.645 22.336 ( 1.621 7.836 -3.225) 8.627 22.527 ( -0.773 -2.073 -4.041) 4.607 22.766 ( 0.202 0.714 -0.327) 0.810 22.798 ( -0.263 -0.528 0.256) 0.643 22.842 ( -0.026 1.108 -0.608) 1.264 22.912 ( -1.220 -2.619 -1.409) 3.215 ======================= Grid point 30 (19/90) ======================= q-point: ( 0.29 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.591 ( 0.542 4.938 1.526) 5.197 0.665 ( -0.357 3.515 2.023) 4.071 0.733 ( -0.615 -0.243 -0.469) 0.811 0.774 ( 0.931 3.366 4.090) 5.378 0.897 ( 0.249 1.377 -0.896) 1.662 0.923 ( 0.343 -0.348 1.551) 1.626 0.931 ( 2.025 0.189 -2.817) 3.475 0.989 ( -0.692 3.102 -3.303) 4.584 1.013 ( -1.493 3.120 -0.283) 3.470 1.058 ( -1.561 0.789 1.667) 2.416 1.110 ( -2.323 -0.806 0.781) 2.580 1.169 ( 0.002 0.096 -0.226) 0.245 1.196 ( -1.896 -1.367 0.100) 2.340 1.243 ( -1.873 -2.084 2.021) 3.455 1.308 ( 2.136 3.857 -0.187) 4.413 1.345 ( 1.079 3.187 -0.937) 3.493 1.390 ( 1.133 0.666 -1.815) 2.241 1.435 ( 0.731 -0.382 -1.343) 1.576 1.480 ( -1.274 1.022 0.575) 1.732 1.506 ( -0.860 1.246 -1.507) 2.136 1.533 ( 1.187 -0.243 1.274) 1.759 1.558 ( -0.172 -0.428 -0.115) 0.475 1.619 ( 1.136 0.211 -0.364) 1.212 1.643 ( 2.714 0.610 1.268) 3.057 1.718 ( 2.550 -1.322 -0.291) 2.887 1.745 ( 1.243 -1.406 -0.883) 2.073 1.908 ( -2.012 -0.577 0.720) 2.213 1.929 ( -1.199 -0.517 1.552) 2.029 2.039 ( -1.503 3.630 0.066) 3.930 2.099 ( -0.860 -1.011 -0.587) 1.451 2.717 ( 0.966 0.497 1.116) 1.557 2.777 ( -0.032 -1.654 0.775) 1.827 2.796 ( -0.173 -0.040 -0.381) 0.421 2.851 ( -0.092 -2.852 0.643) 2.925 3.114 ( -1.884 2.301 -2.231) 3.718 3.197 ( 1.457 0.567 2.499) 2.948 3.292 ( -0.006 -1.591 1.262) 2.030 3.324 ( -2.992 -2.644 -1.256) 4.186 3.413 ( 1.545 0.641 -1.026) 1.962 3.480 ( 0.759 -2.496 -2.118) 3.360 3.616 ( 0.191 1.540 1.543) 2.188 3.739 ( -0.563 -4.190 2.805) 5.074 4.327 ( -0.826 2.248 2.132) 3.207 4.347 ( -0.656 2.258 1.801) 2.962 4.764 ( -0.232 -0.846 -5.690) 5.757 4.806 ( -0.824 -1.769 -7.021) 7.288 4.943 ( -0.403 2.448 -0.397) 2.512 5.010 ( -0.007 0.204 0.535) 0.572 5.931 ( 0.597 1.674 3.525) 3.948 5.974 ( 0.386 -0.023 3.485) 3.506 6.270 ( 0.892 -2.550 2.481) 3.668 6.321 ( -0.777 -3.789 1.503) 4.150 6.424 ( -1.622 -2.756 0.917) 3.327 6.438 ( 0.194 -0.826 -0.082) 0.852 6.481 ( -0.301 -5.073 0.758) 5.138 6.556 ( 0.547 0.505 -2.077) 2.206 6.583 ( 1.786 -6.392 -1.520) 6.808 6.626 ( -0.054 -2.099 0.780) 2.240 6.736 ( 0.440 -0.881 -2.173) 2.386 6.776 ( 0.120 -3.054 -1.651) 3.474 8.342 ( -0.308 0.509 -0.887) 1.068 8.370 ( -0.069 -0.224 -1.651) 1.668 8.484 ( 0.446 -0.188 1.597) 1.669 8.510 ( 0.755 -0.815 0.223) 1.133 9.663 ( -0.351 0.642 0.641) 0.973 9.724 ( 0.090 -0.504 1.695) 1.770 9.767 ( 0.473 -4.746 -0.701) 4.821 9.808 ( -0.009 -4.554 -1.162) 4.700 11.708 ( -0.224 2.213 2.829) 3.599 11.738 ( 0.439 0.655 1.811) 1.976 11.900 ( -0.236 1.937 -2.543) 3.205 11.920 ( -0.576 0.822 -2.240) 2.455 12.566 ( -0.463 2.105 0.667) 2.256 12.580 ( -0.631 1.760 1.538) 2.421 12.649 ( -0.607 1.176 -1.993) 2.393 12.694 ( 0.215 -0.926 -2.235) 2.429 12.815 ( -1.416 3.922 1.222) 4.345 12.915 ( -1.860 -1.197 3.970) 4.545 13.106 ( 3.318 4.501 -1.207) 5.721 13.225 ( 0.915 -0.910 -1.337) 1.858 20.821 ( 2.529 1.542 0.527) 3.009 20.873 ( -0.381 -0.962 -3.401) 3.555 21.034 ( -3.716 -1.412 0.046) 3.975 21.064 ( 1.730 -3.314 6.321) 7.344 21.453 ( -2.051 0.711 -5.616) 6.021 21.626 ( 2.507 -3.817 -3.674) 5.861 21.731 ( -1.337 -4.663 -0.280) 4.859 21.790 ( -4.091 -6.745 0.950) 7.946 21.982 ( 2.371 5.055 11.235) 12.546 22.079 ( 0.549 -0.011 9.848) 9.863 22.324 ( 2.512 6.033 -5.679) 8.658 22.447 ( -1.584 0.193 -7.753) 7.915 22.770 ( 0.545 0.131 -0.195) 0.593 22.790 ( -0.421 -0.846 -0.385) 1.020 22.836 ( -0.138 0.889 -0.273) 0.940 22.874 ( -1.376 -0.936 -1.407) 2.179 ======================= Grid point 31 (20/90) ======================= q-point: ( 0.43 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.613 ( 0.709 2.954 0.514) 3.081 0.674 ( -0.439 0.193 0.546) 0.727 0.738 ( 0.579 2.979 1.058) 3.214 0.835 ( 0.643 3.166 4.823) 5.805 0.887 ( -0.002 1.534 -1.138) 1.910 0.911 ( -1.263 4.359 -4.035) 6.073 0.927 ( -0.399 -0.435 -0.239) 0.636 0.942 ( 0.106 2.707 -0.793) 2.822 1.010 ( 0.705 4.522 -0.341) 4.590 1.050 ( -0.612 -0.248 0.447) 0.798 1.085 ( -1.435 0.927 0.287) 1.732 1.177 ( 0.219 -0.815 0.788) 1.155 1.185 ( -0.185 -2.574 0.124) 2.583 1.222 ( -1.484 -2.320 0.613) 2.822 1.353 ( 1.550 2.540 1.693) 3.424 1.362 ( 1.186 3.374 -0.107) 3.578 1.392 ( 0.964 1.599 -0.839) 2.047 1.428 ( 1.272 -0.870 -3.154) 3.510 1.463 ( -1.835 1.131 1.438) 2.591 1.469 ( -1.521 1.944 -1.190) 2.740 1.545 ( 0.673 -0.813 -0.301) 1.098 1.555 ( -0.644 -0.738 0.268) 1.015 1.628 ( 0.266 0.294 -0.104) 0.410 1.700 ( 1.395 -1.981 1.472) 2.835 1.739 ( 1.276 -0.035 -1.191) 1.746 1.763 ( 1.005 -0.218 -0.109) 1.034 1.891 ( -0.763 -0.118 0.778) 1.096 1.928 ( -0.433 -0.719 0.675) 1.077 2.011 ( -1.170 2.147 -0.526) 2.501 2.083 ( -0.539 -1.409 -0.103) 1.512 2.740 ( 0.532 0.958 0.548) 1.225 2.780 ( -0.171 -0.037 0.464) 0.496 2.787 ( -0.287 0.255 -0.550) 0.670 2.860 ( 0.136 -3.804 0.485) 3.837 3.081 ( -0.357 0.648 -0.807) 1.095 3.233 ( 0.906 -2.705 0.260) 2.865 3.265 ( -2.183 -0.454 0.640) 2.320 3.302 ( -0.113 -1.481 -0.217) 1.501 3.426 ( 0.603 -0.742 -0.549) 1.102 3.477 ( 0.580 -2.228 -0.528) 2.362 3.633 ( 0.100 3.388 0.848) 3.494 3.753 ( -0.197 -2.609 1.060) 2.823 4.339 ( -0.622 2.454 2.198) 3.352 4.350 ( -0.065 2.215 -0.135) 2.220 4.718 ( -0.070 -1.313 -2.377) 2.717 4.741 ( -0.284 -1.509 -3.238) 3.584 4.933 ( -0.215 2.458 -0.264) 2.482 5.014 ( -0.000 -0.173 0.178) 0.249 5.969 ( 0.537 1.340 1.903) 2.388 5.993 ( -0.293 0.348 0.465) 0.650 6.302 ( 0.278 -2.976 1.352) 3.280 6.334 ( 0.071 -2.797 1.186) 3.039 6.427 ( -0.257 -1.602 2.204) 2.736 6.442 ( 0.239 0.743 0.133) 0.792 6.480 ( -0.734 -3.905 0.943) 4.084 6.526 ( 0.196 -0.209 -3.980) 3.990 6.590 ( 0.495 -5.103 -0.614) 5.163 6.625 ( -0.168 -1.992 -0.042) 1.999 6.728 ( 0.303 -4.000 -0.733) 4.078 6.770 ( 0.252 -4.345 -0.424) 4.373 8.334 ( -0.061 0.497 -0.116) 0.514 8.353 ( -0.154 -0.430 -1.018) 1.116 8.503 ( 0.108 -0.174 0.827) 0.852 8.520 ( 0.408 -0.741 -0.087) 0.850 9.658 ( -0.410 -0.666 0.062) 0.784 9.743 ( 0.808 -1.775 0.106) 1.953 9.755 ( -0.866 -3.809 0.262) 3.915 9.812 ( 0.598 -3.224 -0.183) 3.284 11.730 ( -0.063 2.639 1.598) 3.086 11.762 ( 0.263 0.973 1.269) 1.621 11.873 ( -0.210 1.523 -1.561) 2.191 11.892 ( -0.280 0.430 -1.398) 1.489 12.571 ( 0.039 2.204 0.833) 2.356 12.595 ( -0.231 0.919 1.580) 1.843 12.625 ( 0.248 1.943 -0.955) 2.180 12.661 ( -0.998 0.075 -2.274) 2.485 12.817 ( -0.085 3.683 0.732) 3.756 12.923 ( -0.719 -1.591 1.584) 2.357 13.136 ( 1.385 4.083 -0.503) 4.341 13.223 ( 0.200 0.297 -0.649) 0.741 20.853 ( 1.050 -0.388 -0.586) 1.263 20.859 ( 0.717 -1.780 -0.068) 1.920 20.962 ( -2.721 2.792 -1.106) 4.052 21.170 ( 1.933 -4.714 5.719) 7.660 21.362 ( -1.740 0.932 -4.990) 5.366 21.641 ( 1.971 -7.876 -1.222) 8.210 21.713 ( -0.471 -5.116 -0.200) 5.142 21.738 ( -2.871 -3.065 0.650) 4.249 22.130 ( 2.051 4.609 9.407) 10.674 22.174 ( -0.238 1.727 6.967) 7.181 22.293 ( 0.536 3.832 -6.175) 7.287 22.338 ( -0.657 2.750 -7.356) 7.880 22.776 ( 0.344 -0.130 -0.134) 0.392 22.782 ( -0.160 -0.413 -0.147) 0.467 22.833 ( 0.007 0.138 0.172) 0.220 22.845 ( -0.783 -0.342 -0.810) 1.178 ======================= Grid point 35 (21/90) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( 0.000 -2.581 0.000) 2.581 0.668 ( 0.000 2.581 0.000) 2.581 0.788 ( 0.000 -0.269 0.000) 0.269 0.788 ( 0.000 0.269 0.000) 0.269 0.837 ( 0.000 -1.698 0.000) 1.698 0.837 ( 0.000 1.698 0.000) 1.698 0.972 ( 0.000 -1.497 0.000) 1.497 0.972 ( 0.000 1.497 0.000) 1.497 1.094 ( 0.000 -0.322 0.000) 0.322 1.094 ( 0.000 0.322 0.000) 0.322 1.170 ( 0.000 -0.118 0.000) 0.118 1.170 ( 0.000 0.118 0.000) 0.118 1.274 ( 0.000 -2.251 0.000) 2.251 1.274 ( 0.000 2.251 0.000) 2.251 1.296 ( 0.000 -2.406 0.000) 2.406 1.296 ( 0.000 2.406 0.000) 2.406 1.439 ( 0.000 -0.925 0.000) 0.925 1.439 ( 0.000 0.925 0.000) 0.925 1.486 ( 0.000 -0.454 0.000) 0.454 1.486 ( 0.000 0.455 0.000) 0.455 1.540 ( 0.000 -0.231 0.000) 0.231 1.540 ( 0.000 0.231 0.000) 0.231 1.624 ( 0.000 -0.377 0.000) 0.377 1.624 ( 0.000 0.377 0.000) 0.377 1.650 ( 0.000 -3.987 0.000) 3.987 1.650 ( 0.000 3.987 0.000) 3.987 1.933 ( 0.000 -0.914 0.000) 0.914 1.933 ( 0.000 0.914 0.000) 0.914 2.124 ( 0.000 -1.065 0.000) 1.065 2.124 ( 0.000 1.065 0.000) 1.065 2.688 ( 0.000 -1.365 0.000) 1.365 2.688 ( 0.000 1.365 0.000) 1.365 2.827 ( 0.000 -1.192 0.000) 1.192 2.827 ( 0.000 1.192 0.000) 1.192 3.161 ( 0.000 -2.064 0.000) 2.064 3.161 ( 0.000 2.064 0.000) 2.064 3.345 ( 0.000 -4.461 0.000) 4.461 3.345 ( 0.000 4.461 0.000) 4.461 3.481 ( 0.000 -4.072 0.000) 4.072 3.481 ( 0.000 4.072 0.000) 4.072 3.577 ( 0.000 -4.389 0.000) 4.389 3.577 ( 0.000 4.389 0.000) 4.389 4.348 ( 0.000 -0.359 0.000) 0.359 4.348 ( 0.000 0.359 0.000) 0.359 4.897 ( 0.000 -2.389 0.000) 2.389 4.897 ( 0.000 2.389 0.000) 2.389 4.987 ( 0.000 -1.366 0.000) 1.366 4.987 ( 0.000 1.366 0.000) 1.366 5.874 ( 0.000 -0.336 0.000) 0.336 5.874 ( 0.000 0.336 0.000) 0.336 6.242 ( 0.000 -4.693 0.000) 4.693 6.242 ( 0.000 4.693 0.000) 4.693 6.376 ( 0.000 -0.225 0.000) 0.225 6.376 ( 0.000 0.225 0.000) 0.225 6.519 ( 0.000 -0.570 0.000) 0.570 6.519 ( 0.000 0.570 0.000) 0.570 6.535 ( 0.000 -0.741 0.000) 0.741 6.535 ( 0.000 0.741 0.000) 0.741 6.798 ( 0.000 -1.102 0.000) 1.102 6.798 ( 0.000 1.102 0.000) 1.102 8.380 ( 0.000 -0.908 0.000) 0.908 8.380 ( 0.000 0.908 0.000) 0.908 8.463 ( 0.000 -0.972 0.000) 0.972 8.463 ( 0.000 0.972 0.000) 0.972 9.698 ( 0.000 -1.022 0.000) 1.022 9.698 ( 0.000 1.022 0.000) 1.022 9.738 ( 0.000 -5.236 0.000) 5.236 9.738 ( 0.000 5.236 0.000) 5.236 11.704 ( 0.000 -0.799 0.000) 0.799 11.704 ( 0.000 0.799 0.000) 0.799 11.965 ( 0.000 -0.601 0.000) 0.601 11.965 ( 0.000 0.601 0.000) 0.601 12.602 ( 0.000 -0.843 0.000) 0.843 12.602 ( 0.000 0.843 0.000) 0.843 12.689 ( 0.000 -0.805 0.000) 0.805 12.689 ( 0.000 0.805 0.000) 0.805 12.888 ( 0.000 -0.617 0.000) 0.617 12.888 ( 0.000 0.617 0.000) 0.617 13.138 ( 0.000 -4.782 0.000) 4.782 13.138 ( 0.000 4.782 0.000) 4.782 20.865 ( 0.000 -6.169 0.000) 6.169 20.865 ( 0.000 6.169 0.000) 6.169 20.974 ( 0.000 -0.714 0.000) 0.714 20.974 ( 0.000 0.714 0.000) 0.714 21.645 ( 0.000 -5.229 0.000) 5.229 21.645 ( 0.000 5.229 0.000) 5.229 21.770 ( 0.000 -1.805 0.000) 1.805 21.770 ( 0.000 1.805 0.000) 1.805 21.831 ( 0.000 -4.905 0.000) 4.905 21.831 ( 0.000 4.905 0.000) 4.905 22.475 ( 0.000 -5.456 0.000) 5.456 22.475 ( 0.000 5.456 0.000) 5.456 22.789 ( 0.000 -0.868 0.000) 0.868 22.789 ( 0.000 0.868 0.000) 0.868 22.873 ( 0.000 -2.076 0.000) 2.076 22.873 ( 0.000 2.076 0.000) 2.076 ======================= Grid point 37 (22/90) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.670 ( -0.576 -2.866 0.873) 3.051 0.670 ( -0.576 2.866 0.873) 3.051 0.767 ( -0.298 -2.035 -0.952) 2.266 0.767 ( -0.298 2.035 -0.952) 2.266 0.880 ( 2.243 -2.640 2.591) 4.326 0.880 ( 2.243 2.640 2.591) 4.326 0.958 ( -0.037 -2.235 -1.979) 2.986 0.958 ( -0.037 2.235 -1.979) 2.986 1.090 ( -1.321 -1.470 0.885) 2.165 1.090 ( -1.321 1.470 0.885) 2.165 1.156 ( -1.905 -1.068 0.292) 2.203 1.156 ( -1.905 1.068 0.292) 2.203 1.233 ( -2.331 -1.448 0.177) 2.749 1.233 ( -2.331 1.448 0.177) 2.749 1.342 ( 2.918 -2.736 -0.606) 4.045 1.342 ( 2.918 2.736 -0.606) 4.045 1.424 ( -0.674 -1.469 -1.088) 1.949 1.424 ( -0.674 1.469 -1.088) 1.949 1.501 ( 0.830 -2.315 1.482) 2.871 1.501 ( 0.830 2.315 1.482) 2.871 1.536 ( -0.042 -0.577 -0.775) 0.967 1.536 ( -0.042 0.577 -0.775) 0.967 1.627 ( 0.512 -0.690 0.222) 0.888 1.627 ( 0.512 0.690 0.222) 0.888 1.671 ( 2.262 -2.982 -0.215) 3.749 1.671 ( 2.262 2.982 -0.215) 3.749 1.927 ( -1.304 -0.719 0.934) 1.757 1.927 ( -1.304 0.719 0.934) 1.757 2.110 ( -0.917 -0.946 -1.101) 1.717 2.110 ( -0.917 0.946 -1.101) 1.717 2.702 ( 0.988 -1.606 1.071) 2.168 2.702 ( 0.988 1.606 1.071) 2.168 2.823 ( -0.301 -1.273 -0.395) 1.366 2.823 ( -0.301 1.273 -0.395) 1.366 3.175 ( 0.408 -1.202 1.273) 1.798 3.175 ( 0.407 1.202 1.273) 1.798 3.315 ( -2.247 -4.173 -1.064) 4.857 3.315 ( -2.247 4.173 -1.064) 4.857 3.463 ( 0.256 -2.193 -3.031) 3.750 3.463 ( 0.256 2.193 -3.031) 3.750 3.610 ( 0.828 -3.125 3.947) 5.102 3.610 ( 0.828 3.125 3.947) 5.102 4.353 ( -0.388 -0.656 1.558) 1.734 4.353 ( -0.388 0.656 1.558) 1.734 4.853 ( -0.637 -2.071 -6.308) 6.670 4.853 ( -0.637 2.071 -6.308) 6.670 4.993 ( -0.264 -1.649 0.822) 1.862 4.993 ( -0.264 1.649 0.822) 1.862 5.903 ( 0.809 -0.854 3.719) 3.901 5.903 ( 0.809 0.854 3.719) 3.901 6.244 ( 0.128 -3.570 0.428) 3.597 6.244 ( 0.128 3.570 0.428) 3.597 6.380 ( -0.455 -0.344 1.349) 1.464 6.380 ( -0.455 0.344 1.349) 1.464 6.499 ( -0.027 -2.127 -1.884) 2.841 6.499 ( -0.027 2.127 -1.884) 2.841 6.563 ( 1.206 -1.020 1.615) 2.259 6.563 ( 1.206 1.020 1.615) 2.259 6.782 ( -0.390 -1.039 -2.420) 2.662 6.782 ( -0.390 1.039 -2.420) 2.662 8.373 ( 0.019 -0.964 -1.339) 1.650 8.373 ( 0.019 0.964 -1.339) 1.650 8.473 ( 0.340 -1.000 1.207) 1.604 8.473 ( 0.340 1.000 1.207) 1.604 9.705 ( 0.479 -1.223 0.144) 1.322 9.705 ( 0.479 1.223 0.144) 1.322 9.730 ( -0.496 -4.582 -0.170) 4.612 9.730 ( -0.496 4.582 -0.170) 4.612 11.713 ( 0.050 -0.789 1.626) 1.808 11.713 ( 0.050 0.789 1.626) 1.808 11.953 ( -0.332 -0.565 -1.645) 1.771 11.953 ( -0.332 0.565 -1.645) 1.771 12.598 ( -0.609 -0.653 0.235) 0.924 12.598 ( -0.609 0.653 0.235) 0.924 12.684 ( 0.383 -0.903 -1.427) 1.732 12.684 ( 0.383 0.903 -1.427) 1.732 12.883 ( -1.781 -1.585 2.077) 3.162 12.883 ( -1.781 1.585 2.077) 3.162 13.155 ( 2.228 -4.264 -0.783) 4.874 13.155 ( 2.228 4.264 -0.783) 4.874 20.861 ( 0.530 -4.834 -1.505) 5.090 20.861 ( 0.530 4.834 -1.505) 5.090 20.988 ( -0.400 -2.868 3.338) 4.419 20.988 ( -0.400 2.868 3.338) 4.419 21.592 ( -0.938 -4.430 -6.876) 8.233 21.592 ( -0.938 4.430 -6.876) 8.233 21.743 ( -1.394 -3.001 -0.388) 3.332 21.743 ( -1.394 3.001 -0.388) 3.332 21.918 ( 1.586 -3.695 10.059) 10.833 21.918 ( 1.586 3.695 10.059) 10.833 22.461 ( 0.554 -4.916 -3.650) 6.148 22.461 ( 0.554 4.916 -3.650) 6.148 22.783 ( -0.261 -0.921 -0.443) 1.055 22.783 ( -0.261 0.921 -0.443) 1.055 22.869 ( -0.282 -1.766 -0.419) 1.837 22.869 ( -0.282 1.766 -0.419) 1.837 ======================= Grid point 39 (23/90) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( -0.968 -2.546 0.300) 2.740 0.661 ( -0.968 2.546 0.300) 2.740 0.779 ( 1.422 -3.291 0.923) 3.702 0.779 ( 1.422 3.291 0.923) 3.702 0.923 ( 0.582 -0.614 -1.278) 1.532 0.923 ( 0.582 0.614 -1.278) 1.532 0.958 ( 1.171 -4.476 1.821) 4.972 0.958 ( 1.171 4.477 1.821) 4.972 1.072 ( -2.044 -2.714 1.496) 3.713 1.072 ( -2.044 2.714 1.496) 3.713 1.122 ( -1.684 -4.028 -0.768) 4.433 1.122 ( -1.684 4.028 -0.768) 4.433 1.205 ( -2.248 -1.745 1.293) 3.126 1.205 ( -2.248 1.745 1.293) 3.126 1.371 ( 2.389 -2.507 -1.529) 3.786 1.371 ( 2.389 2.507 -1.529) 3.786 1.411 ( 0.847 -2.214 -1.562) 2.839 1.411 ( 0.847 2.214 -1.562) 2.839 1.507 ( -1.224 -1.316 -0.219) 1.811 1.507 ( -1.224 1.316 -0.219) 1.811 1.540 ( 0.620 -1.130 0.335) 1.331 1.540 ( 0.620 1.130 0.335) 1.331 1.642 ( 0.851 -1.562 0.036) 1.779 1.642 ( 0.851 1.562 0.036) 1.779 1.713 ( 2.744 -1.403 0.277) 3.094 1.713 ( 2.744 1.403 0.277) 3.094 1.912 ( -1.832 -0.906 1.339) 2.443 1.912 ( -1.832 0.906 1.339) 2.443 2.078 ( -1.225 -1.060 -1.466) 2.185 2.078 ( -1.225 1.060 -1.466) 2.185 2.735 ( 1.296 -1.844 1.381) 2.643 2.735 ( 1.296 1.844 1.381) 2.643 2.812 ( -0.367 -1.382 -0.574) 1.541 2.812 ( -0.367 1.382 -0.574) 1.541 3.174 ( -1.460 -3.069 -0.443) 3.427 3.174 ( -1.460 3.069 -0.443) 3.427 3.283 ( -0.955 -0.795 0.569) 1.367 3.283 ( -0.955 0.795 0.569) 1.367 3.441 ( 0.569 -1.789 -2.031) 2.765 3.441 ( 0.569 1.789 -2.031) 2.765 3.663 ( 0.708 -3.244 3.366) 4.728 3.663 ( 0.708 3.244 3.366) 4.728 4.365 ( -0.655 -0.837 2.244) 2.483 4.365 ( -0.655 0.837 2.244) 2.483 4.773 ( -0.407 -1.463 -6.868) 7.034 4.773 ( -0.407 1.463 -6.868) 7.034 4.992 ( -0.419 -2.098 0.150) 2.145 4.992 ( -0.419 2.098 0.150) 2.145 5.954 ( 0.581 -1.256 3.297) 3.576 5.954 ( 0.581 1.256 3.297) 3.576 6.263 ( 0.678 -1.980 2.121) 2.979 6.263 ( 0.678 1.980 2.121) 2.979 6.385 ( -0.834 -1.037 1.612) 2.091 6.385 ( -0.834 1.037 1.612) 2.091 6.486 ( 0.664 -2.347 -1.624) 2.930 6.486 ( 0.664 2.347 -1.624) 2.930 6.596 ( 0.892 -1.413 1.300) 2.117 6.596 ( 0.892 1.413 1.300) 2.117 6.741 ( -0.573 -1.116 -3.751) 3.955 6.741 ( -0.573 1.116 -3.751) 3.955 8.357 ( -0.063 -0.920 -1.457) 1.725 8.357 ( -0.063 0.920 -1.457) 1.725 8.493 ( 0.403 -0.825 1.165) 1.484 8.493 ( 0.403 0.825 1.165) 1.484 9.693 ( -0.781 -2.585 -1.228) 2.966 9.693 ( -0.781 2.585 -1.228) 2.966 9.742 ( 0.847 -2.198 1.298) 2.690 9.742 ( 0.847 2.198 1.298) 2.690 11.737 ( 0.135 -0.774 2.623) 2.738 11.737 ( 0.135 0.774 2.623) 2.738 11.923 ( -0.496 -0.492 -2.670) 2.760 11.923 ( -0.496 0.492 -2.670) 2.760 12.592 ( -0.546 -0.509 0.777) 1.077 12.592 ( -0.546 0.509 0.777) 1.077 12.672 ( 0.179 -1.287 -1.981) 2.370 12.672 ( 0.179 1.287 -1.981) 2.370 12.879 ( -1.493 -2.544 2.350) 3.772 12.879 ( -1.493 2.544 2.350) 3.772 13.183 ( 2.181 -3.258 -0.963) 4.037 13.183 ( 2.181 3.258 -0.963) 4.037 20.851 ( 0.255 -1.442 -1.608) 2.175 20.851 ( 0.255 1.442 -1.608) 2.175 21.025 ( -0.104 -0.860 4.254) 4.341 21.025 ( -0.104 0.860 4.254) 4.341 21.505 ( -0.923 -5.278 -6.410) 8.354 21.505 ( -0.923 5.278 -6.410) 8.354 21.720 ( -1.466 -2.129 0.240) 2.596 21.720 ( -1.466 2.129 0.240) 2.596 22.057 ( 1.488 -2.496 11.557) 11.917 22.057 ( 1.488 2.496 11.557) 11.917 22.417 ( 0.696 -3.271 -6.862) 7.634 22.417 ( 0.696 3.271 -6.862) 7.634 22.777 ( 0.004 -0.547 -0.302) 0.625 22.777 ( 0.004 0.547 -0.302) 0.625 22.855 ( -0.698 -1.035 -0.717) 1.439 22.855 ( -0.698 1.035 -0.717) 1.439 ======================= Grid point 41 (24/90) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.129 -1.567 0.204) 1.585 0.655 ( -0.129 1.567 0.204) 1.585 0.811 ( 0.899 -3.786 0.770) 3.966 0.811 ( 0.899 3.786 0.770) 3.966 0.908 ( -0.203 -0.408 -0.981) 1.082 0.908 ( -0.203 0.408 -0.981) 1.082 0.981 ( 0.005 -2.796 0.444) 2.831 0.981 ( 0.005 2.796 0.444) 2.831 1.065 ( -0.375 -1.237 0.481) 1.380 1.065 ( -0.375 1.237 0.481) 1.380 1.101 ( -0.661 -4.399 0.623) 4.492 1.101 ( -0.661 4.399 0.623) 4.492 1.189 ( -1.030 -1.451 0.798) 1.950 1.189 ( -1.030 1.451 0.798) 1.950 1.394 ( 1.747 -1.580 -0.579) 2.426 1.394 ( 1.747 1.580 -0.579) 2.426 1.412 ( 0.903 -1.103 -1.619) 2.157 1.412 ( 0.903 1.103 -1.619) 2.157 1.485 ( -1.295 -0.766 0.634) 1.633 1.485 ( -1.295 0.766 0.634) 1.633 1.540 ( -0.250 -0.894 -0.419) 1.019 1.540 ( -0.250 0.894 -0.419) 1.019 1.648 ( 0.160 -2.275 -0.261) 2.296 1.648 ( 0.160 2.275 -0.261) 2.296 1.752 ( 1.403 -0.780 0.110) 1.609 1.752 ( 1.403 0.780 0.110) 1.609 1.905 ( -0.620 -1.328 1.135) 1.854 1.905 ( -0.620 1.328 1.135) 1.854 2.047 ( -0.732 -1.885 -0.866) 2.199 2.047 ( -0.732 1.885 -0.866) 2.199 2.765 ( 0.726 -1.746 0.785) 2.047 2.765 ( 0.726 1.746 0.785) 2.047 2.801 ( -0.274 -1.686 -0.446) 1.765 2.801 ( -0.274 1.686 -0.446) 1.765 3.141 ( -1.079 -4.935 -0.561) 5.083 3.141 ( -1.079 4.935 -0.562) 5.083 3.280 ( -0.315 -0.908 0.278) 1.001 3.280 ( -0.315 0.908 0.277) 1.001 3.441 ( 0.571 -1.659 -0.301) 1.780 3.441 ( 0.571 1.659 -0.301) 1.780 3.695 ( 0.241 -3.143 1.272) 3.399 3.695 ( 0.241 3.143 1.272) 3.399 4.374 ( -0.373 -0.408 1.163) 1.288 4.374 ( -0.373 0.408 1.163) 1.288 4.715 ( -0.067 -0.928 -3.033) 3.172 4.715 ( -0.067 0.928 -3.033) 3.172 4.986 ( -0.193 -2.521 -0.021) 2.529 4.986 ( -0.193 2.521 -0.021) 2.529 5.981 ( 0.136 -0.684 0.972) 1.196 5.981 ( 0.136 0.684 0.972) 1.196 6.297 ( 0.412 -1.927 1.752) 2.637 6.297 ( 0.412 1.927 1.752) 2.637 6.387 ( -0.326 -1.033 0.604) 1.240 6.387 ( -0.326 1.033 0.604) 1.240 6.485 ( 0.394 -1.280 -0.582) 1.461 6.485 ( 0.394 1.280 -0.582) 1.461 6.615 ( 0.241 -1.046 0.584) 1.222 6.615 ( 0.241 1.046 0.584) 1.222 6.700 ( -0.278 -1.881 -2.165) 2.881 6.700 ( -0.278 1.881 -2.165) 2.881 8.345 ( -0.061 -0.526 -0.626) 0.820 8.345 ( -0.061 0.526 -0.626) 0.820 8.506 ( 0.175 -0.530 0.450) 0.717 8.506 ( 0.175 0.530 0.450) 0.717 9.673 ( -0.411 -2.270 -0.550) 2.372 9.673 ( -0.411 2.270 -0.550) 2.372 9.765 ( 0.471 -1.644 0.618) 1.818 9.765 ( 0.471 1.644 0.618) 1.818 11.764 ( 0.123 -0.794 1.712) 1.891 11.764 ( 0.123 0.794 1.712) 1.891 11.891 ( -0.287 -0.459 -1.742) 1.824 11.891 ( -0.287 0.459 -1.742) 1.824 12.597 ( -0.072 -0.600 0.891) 1.076 12.597 ( -0.071 0.600 0.891) 1.076 12.653 ( -0.133 -0.916 -1.350) 1.637 12.653 ( -0.133 0.916 -1.350) 1.637 12.881 ( -0.467 -2.751 1.006) 2.967 12.881 ( -0.467 2.751 1.006) 2.967 13.201 ( 0.829 -2.420 -0.446) 2.597 13.201 ( 0.829 2.420 -0.446) 2.597 20.841 ( 0.012 -0.339 -0.641) 0.726 20.841 ( 0.012 0.339 -0.641) 0.726 21.060 ( 0.061 -6.121 2.042) 6.453 21.060 ( 0.061 6.121 2.042) 6.453 21.445 ( -0.391 -7.963 -2.712) 8.421 21.445 ( -0.391 7.963 -2.712) 8.421 21.704 ( -0.630 -1.351 0.119) 1.496 21.704 ( -0.630 1.351 0.119) 1.496 22.186 ( 0.676 -1.056 8.892) 8.980 22.186 ( 0.676 1.056 8.892) 8.980 22.348 ( 0.275 -1.490 -7.186) 7.344 22.348 ( 0.275 1.490 -7.186) 7.344 22.777 ( 0.112 -0.164 -0.045) 0.204 22.777 ( 0.112 0.164 -0.045) 0.204 22.838 ( -0.445 -0.334 -0.399) 0.685 22.838 ( -0.445 0.334 -0.399) 0.685 ======================= Grid point 77 (25/90) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.152 ( -2.074 0.000 9.233) 9.463 0.387 ( 2.038 0.000 16.484) 16.610 0.453 ( 1.186 0.000 16.090) 16.134 0.614 ( 0.941 0.000 -9.361) 9.408 0.755 ( 1.864 0.000 -0.045) 1.864 0.822 ( -0.954 0.000 0.814) 1.254 0.838 ( 0.441 0.000 0.114) 0.455 0.938 ( 2.855 0.000 -0.578) 2.913 0.954 ( -3.410 0.000 0.368) 3.429 0.973 ( 1.275 0.000 1.066) 1.661 1.063 ( -1.855 0.000 -0.052) 1.856 1.095 ( 0.836 0.000 0.491) 0.969 1.143 ( -3.066 0.000 -1.045) 3.239 1.162 ( 2.866 0.000 -0.090) 2.867 1.211 ( -0.634 0.000 3.029) 3.094 1.251 ( 0.205 0.000 -0.676) 0.707 1.286 ( -0.074 0.000 -0.547) 0.552 1.302 ( 1.412 0.000 5.699) 5.871 1.385 ( 0.687 0.000 -5.607) 5.649 1.476 ( -3.406 0.000 0.179) 3.410 1.511 ( -0.730 0.000 -0.396) 0.830 1.538 ( 0.840 0.000 -3.207) 3.315 1.572 ( 1.471 0.000 -1.768) 2.300 1.582 ( -0.462 0.000 0.140) 0.482 1.694 ( 0.968 0.000 -1.409) 1.709 1.701 ( -1.695 0.000 -1.014) 1.975 1.758 ( 2.071 0.000 3.182) 3.797 1.979 ( -0.246 0.000 2.334) 2.347 2.023 ( -1.391 0.000 2.422) 2.793 2.053 ( -0.721 0.000 -7.515) 7.550 2.687 ( 1.292 0.000 0.201) 1.308 2.717 ( -1.786 0.000 -0.919) 2.009 2.846 ( 1.088 0.000 0.964) 1.453 2.967 ( -2.524 0.000 -4.200) 4.900 3.203 ( -1.605 0.000 0.456) 1.669 3.231 ( 1.008 0.000 -0.581) 1.163 3.319 ( -0.348 0.000 2.883) 2.904 3.438 ( 3.733 0.000 -2.440) 4.459 3.584 ( 0.555 0.000 0.145) 0.573 3.646 ( -1.277 0.000 -0.641) 1.429 3.827 ( 1.940 0.000 5.711) 6.031 4.021 ( -8.876 0.000 -2.677) 9.270 4.240 ( 1.541 0.000 1.813) 2.379 4.333 ( -1.422 0.000 -1.344) 1.956 4.888 ( -0.866 0.000 -2.916) 3.042 4.906 ( -0.040 0.000 -4.874) 4.875 4.931 ( -1.788 0.000 1.374) 2.255 4.962 ( 1.079 0.000 0.343) 1.132 5.542 ( 1.347 0.000 11.630) 11.708 5.844 ( -0.827 0.000 2.393) 2.532 6.255 ( -0.019 0.000 -4.632) 4.632 6.387 ( -1.314 0.000 -7.373) 7.489 6.440 ( 3.250 0.000 -1.800) 3.716 6.543 ( -6.012 0.000 -7.882) 9.913 6.766 ( 0.995 0.000 7.037) 7.107 6.967 ( 7.374 0.000 0.494) 7.391 7.000 ( 3.243 0.000 7.131) 7.833 7.084 ( 1.021 0.000 -2.401) 2.609 7.177 ( -0.998 0.000 2.268) 2.477 7.350 ( -2.822 0.000 -2.113) 3.525 8.317 ( -3.844 0.000 -1.118) 4.003 8.338 ( 1.624 0.000 -1.821) 2.440 8.550 ( 1.256 0.000 2.723) 2.999 8.624 ( -1.655 0.000 -0.106) 1.658 9.879 ( 3.575 0.000 2.832) 4.561 10.029 ( 8.937 0.000 -2.916) 9.401 10.105 ( -6.086 0.000 3.058) 6.811 10.269 ( 8.681 0.000 -3.138) 9.230 11.584 ( -0.320 0.000 0.463) 0.563 11.615 ( 0.200 0.000 -0.741) 0.767 11.688 ( 1.216 0.000 1.543) 1.965 11.768 ( -0.001 0.000 -1.603) 1.603 12.316 ( 0.082 0.000 0.503) 0.510 12.319 ( -0.204 0.000 0.280) 0.347 12.505 ( -1.032 0.000 0.878) 1.355 12.540 ( 0.601 0.000 -0.498) 0.780 12.688 ( 0.844 0.000 0.134) 0.854 12.720 ( -1.713 0.000 -1.062) 2.015 13.052 ( -17.726 0.000 1.097) 17.759 13.082 ( 4.046 0.000 -0.082) 4.047 20.711 ( -2.562 0.000 1.006) 2.753 20.803 ( 14.706 0.000 -3.317) 15.075 21.158 ( 1.849 0.000 6.020) 6.298 21.226 ( -1.576 0.000 3.080) 3.460 21.430 ( -0.330 0.000 1.122) 1.170 21.557 ( 3.954 0.000 -1.812) 4.349 21.641 ( -0.076 0.000 -1.506) 1.508 21.645 ( 0.115 0.000 -3.657) 3.659 21.685 ( 4.683 0.000 4.401) 6.426 21.997 ( -3.106 0.000 -8.550) 9.097 22.754 ( 0.264 0.000 0.617) 0.671 22.782 ( 0.138 0.000 -0.470) 0.490 22.867 ( -0.395 0.000 0.461) 0.607 22.885 ( 0.017 0.000 -0.239) 0.240 23.132 ( 5.445 0.000 4.094) 6.812 23.251 ( -18.210 0.000 -0.978) 18.236 ======================= Grid point 78 (26/90) ======================= q-point: ( 0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.313 ( 7.917 0.000 5.639) 9.720 0.507 ( -0.905 0.000 -4.838) 4.922 0.602 ( 6.506 0.000 5.735) 8.673 0.624 ( 5.656 0.000 5.468) 7.867 0.805 ( 2.216 0.000 2.979) 3.713 0.824 ( -0.599 0.000 1.507) 1.621 0.831 ( -0.951 0.000 -1.116) 1.467 0.871 ( -3.895 0.000 -2.858) 4.831 0.950 ( -4.181 0.000 -0.846) 4.266 0.955 ( -0.253 0.000 -1.219) 1.245 1.049 ( -1.426 0.000 2.884) 3.217 1.108 ( 1.497 0.000 -1.610) 2.198 1.131 ( 1.023 0.000 2.293) 2.511 1.207 ( 3.066 0.000 -1.549) 3.435 1.226 ( -0.648 0.000 0.464) 0.797 1.263 ( 1.923 0.000 0.583) 2.010 1.287 ( 1.735 0.000 -0.303) 1.761 1.342 ( 0.529 0.000 -4.095) 4.129 1.389 ( 0.537 0.000 5.616) 5.642 1.459 ( -2.211 0.000 5.493) 5.921 1.508 ( 0.913 0.000 -0.135) 0.923 1.522 ( -0.512 0.000 -5.204) 5.229 1.526 ( -0.874 0.000 -2.073) 2.250 1.566 ( -1.391 0.000 -0.822) 1.616 1.693 ( 1.342 0.000 -0.287) 1.372 1.695 ( 1.073 0.000 -1.401) 1.765 1.837 ( 2.030 0.000 4.804) 5.215 1.940 ( -1.592 0.000 -10.221) 10.345 1.987 ( -2.369 0.000 4.028) 4.673 2.026 ( -0.639 0.000 -0.143) 0.654 2.681 ( -0.881 0.000 -1.321) 1.588 2.730 ( 3.249 0.000 1.056) 3.416 2.909 ( 0.283 0.000 -3.368) 3.380 2.948 ( 7.116 0.000 0.188) 7.118 3.191 ( 0.301 0.000 0.138) 0.332 3.267 ( 3.279 0.000 0.652) 3.343 3.336 ( -0.078 0.000 1.198) 1.201 3.444 ( 1.210 0.000 -4.060) 4.236 3.598 ( -2.804 0.000 -1.383) 3.126 3.603 ( -0.363 0.000 2.170) 2.200 3.873 ( -8.720 0.000 0.451) 8.731 3.889 ( -1.569 0.000 5.744) 5.954 4.287 ( -1.568 0.000 -2.326) 2.805 4.299 ( 2.491 0.000 2.691) 3.667 4.836 ( -2.122 0.000 -1.959) 2.888 4.860 ( -0.779 0.000 -2.531) 2.648 4.922 ( -1.105 0.000 1.172) 1.610 4.985 ( 1.143 0.000 0.228) 1.166 5.688 ( 1.157 0.000 11.616) 11.674 5.807 ( -3.167 0.000 -1.757) 3.621 6.233 ( 0.614 0.000 -0.405) 0.735 6.285 ( -1.939 0.000 -6.800) 7.071 6.387 ( -5.039 0.000 -4.904) 7.031 6.510 ( 5.711 0.000 0.962) 5.791 6.851 ( 1.349 0.000 5.886) 6.038 6.984 ( 0.898 0.000 -5.248) 5.325 7.044 ( -1.620 0.000 -1.528) 2.227 7.072 ( -1.556 0.000 -0.215) 1.571 7.230 ( 1.719 0.000 6.904) 7.114 7.281 ( -2.488 0.000 -2.888) 3.811 8.283 ( -0.468 0.000 -0.189) 0.505 8.354 ( 1.969 0.000 -0.824) 2.135 8.592 ( -1.273 0.000 -1.153) 1.717 8.609 ( 1.975 0.000 2.854) 3.471 9.952 ( -4.260 0.000 -5.989) 7.349 9.975 ( 1.260 0.000 7.075) 7.187 10.017 ( -4.416 0.000 -2.754) 5.204 10.386 ( 6.857 0.000 -3.678) 7.781 11.584 ( -0.307 0.000 0.724) 0.787 11.611 ( 0.240 0.000 -0.754) 0.791 11.685 ( -3.094 0.000 3.087) 4.371 11.736 ( -1.354 0.000 -2.282) 2.653 12.325 ( 0.696 0.000 -0.186) 0.720 12.326 ( 0.679 0.000 0.690) 0.968 12.508 ( 0.229 0.000 1.252) 1.273 12.551 ( 0.922 0.000 -0.745) 1.185 12.673 ( -2.247 0.000 -0.810) 2.389 12.705 ( 0.370 0.000 1.147) 1.205 12.868 ( -10.431 0.000 5.887) 11.978 13.138 ( 1.311 0.000 1.477) 1.975 20.689 ( -0.247 0.000 -0.273) 0.368 20.930 ( 8.910 0.000 -7.678) 11.761 21.223 ( -1.890 0.000 1.449) 2.381 21.243 ( 1.706 0.000 3.820) 4.184 21.437 ( -0.506 0.000 1.593) 1.671 21.582 ( 2.358 0.000 -2.398) 3.363 21.609 ( 0.464 0.000 -4.001) 4.027 21.618 ( -0.809 0.000 -1.220) 1.464 21.815 ( 4.909 0.000 4.245) 6.490 21.834 ( -4.932 0.000 -9.693) 10.875 22.744 ( -4.923 0.000 2.945) 5.737 22.781 ( 0.557 0.000 -0.651) 0.856 22.848 ( -3.908 0.000 1.834) 4.317 22.877 ( -0.774 0.000 -0.117) 0.783 22.946 ( -15.855 0.000 6.042) 16.968 23.226 ( -0.326 0.000 5.222) 5.232 ======================= Grid point 79 (27/90) ======================= q-point: ( 0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( 2.067 0.000 -4.809) 5.235 0.467 ( 6.072 0.000 1.816) 6.338 0.716 ( 3.407 0.000 -7.886) 8.591 0.725 ( 3.102 0.000 -0.373) 3.124 0.793 ( -1.503 0.000 -2.114) 2.593 0.806 ( 1.104 0.000 2.206) 2.467 0.810 ( -1.732 0.000 0.457) 1.792 0.848 ( 0.282 0.000 -1.570) 1.596 0.921 ( 0.490 0.000 5.632) 5.654 0.940 ( 0.019 0.000 -0.682) 0.682 1.053 ( -1.835 0.000 1.971) 2.693 1.109 ( 1.504 0.000 -3.092) 3.438 1.165 ( -0.831 0.000 0.804) 1.157 1.222 ( 0.525 0.000 -0.700) 0.875 1.228 ( -0.315 0.000 3.288) 3.303 1.301 ( 2.225 0.000 -0.028) 2.225 1.313 ( 2.203 0.000 -3.716) 4.320 1.339 ( 1.907 0.000 1.234) 2.272 1.431 ( -0.978 0.000 -5.108) 5.201 1.435 ( -0.176 0.000 3.261) 3.266 1.444 ( -3.070 0.000 -0.011) 3.070 1.512 ( -2.016 0.000 -0.865) 2.194 1.550 ( 0.936 0.000 0.776) 1.216 1.558 ( 0.815 0.000 4.470) 4.543 1.709 ( 1.242 0.000 0.701) 1.426 1.711 ( 1.481 0.000 -1.632) 2.204 1.817 ( -0.776 0.000 -8.636) 8.670 1.904 ( -0.352 0.000 4.223) 4.238 1.996 ( -2.188 0.000 5.443) 5.867 2.003 ( -0.153 0.000 -1.358) 1.367 2.675 ( 1.196 0.000 0.019) 1.196 2.800 ( 3.792 0.000 0.504) 3.826 2.899 ( 0.204 0.000 0.417) 0.464 3.030 ( 1.899 0.000 1.236) 2.266 3.239 ( 4.962 0.000 0.985) 5.059 3.339 ( 1.424 0.000 -1.823) 2.313 3.344 ( 3.375 0.000 1.921) 3.884 3.409 ( -0.608 0.000 -2.094) 2.180 3.551 ( -1.237 0.000 -1.027) 1.608 3.599 ( -2.850 0.000 1.709) 3.323 3.728 ( -8.734 0.000 -1.778) 8.913 3.894 ( -3.911 0.000 4.006) 5.599 4.249 ( -0.408 0.000 -1.414) 1.471 4.360 ( 1.918 0.000 1.442) 2.399 4.793 ( -2.195 0.000 1.220) 2.512 4.836 ( -0.879 0.000 0.763) 1.164 4.916 ( -0.840 0.000 0.760) 1.132 4.999 ( 0.677 0.000 -0.487) 0.834 5.725 ( -1.121 0.000 -6.700) 6.793 5.771 ( -1.812 0.000 2.789) 3.325 6.208 ( -0.833 0.000 -1.558) 1.766 6.261 ( 0.037 0.000 4.382) 4.382 6.299 ( -2.688 0.000 0.686) 2.774 6.635 ( 6.507 0.000 3.328) 7.309 6.913 ( 0.577 0.000 0.072) 0.582 6.924 ( -0.445 0.000 -6.510) 6.525 6.986 ( -1.613 0.000 0.012) 1.613 7.025 ( -2.469 0.000 -2.420) 3.457 7.224 ( -1.371 0.000 -1.815) 2.275 7.310 ( 0.367 0.000 3.597) 3.616 8.284 ( 0.478 0.000 0.217) 0.525 8.379 ( 1.307 0.000 0.216) 1.325 8.569 ( -0.079 0.000 -0.772) 0.776 8.657 ( 0.967 0.000 1.445) 1.739 9.842 ( -2.624 0.000 -4.031) 4.810 9.889 ( -4.323 0.000 -5.528) 7.018 10.082 ( 1.985 0.000 5.997) 6.317 10.423 ( 3.380 0.000 -4.460) 5.596 11.589 ( -0.154 0.000 0.793) 0.808 11.605 ( -0.069 0.000 -0.886) 0.889 11.669 ( -2.892 0.000 3.221) 4.329 11.688 ( -1.167 0.000 -2.388) 2.658 12.333 ( 1.036 0.000 -1.173) 1.565 12.357 ( 2.110 0.000 0.939) 2.310 12.527 ( -2.330 0.000 -1.822) 2.958 12.528 ( -0.117 0.000 1.904) 1.907 12.653 ( -0.047 0.000 0.203) 0.209 12.709 ( -1.606 0.000 0.412) 1.658 12.804 ( -4.270 0.000 4.791) 6.418 13.143 ( -1.927 0.000 0.610) 2.021 20.711 ( 2.790 0.000 0.765) 2.893 20.970 ( 5.412 0.000 -6.213) 8.239 21.192 ( -1.764 0.000 -1.524) 2.331 21.286 ( 0.566 0.000 1.298) 1.416 21.444 ( -0.683 0.000 1.275) 1.447 21.575 ( 2.626 0.000 -6.614) 7.116 21.595 ( -0.102 0.000 0.881) 0.887 21.600 ( -0.814 0.000 0.452) 0.931 21.677 ( -3.391 0.000 -5.276) 6.272 21.931 ( 3.565 0.000 5.496) 6.551 22.606 ( -16.493 0.000 6.661) 17.787 22.785 ( 0.943 0.000 -1.205) 1.530 22.818 ( -0.779 0.000 1.025) 1.287 22.860 ( -1.225 0.000 0.189) 1.240 22.871 ( -1.568 0.000 0.477) 1.638 23.215 ( -4.216 0.000 0.093) 4.217 ======================= Grid point 80 (28/90) ======================= q-point: ( 0.43 0.00 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.464 ( 3.478 0.000 -3.861) 5.196 0.523 ( 0.007 0.000 -3.330) 3.330 0.656 ( 3.710 0.000 -8.824) 9.572 0.672 ( -2.810 0.000 -5.582) 6.249 0.737 ( -0.902 0.000 -1.806) 2.019 0.787 ( -1.674 0.000 -1.508) 2.253 0.883 ( 3.004 0.000 0.850) 3.122 0.920 ( 3.916 0.000 4.518) 5.979 0.939 ( 1.290 0.000 -0.643) 1.442 0.966 ( -0.903 0.000 1.214) 1.513 1.025 ( -2.531 0.000 -0.353) 2.555 1.099 ( 1.358 0.000 -2.331) 2.697 1.137 ( -1.848 0.000 0.652) 1.960 1.213 ( -0.494 0.000 -1.025) 1.138 1.248 ( -1.255 0.000 1.624) 2.052 1.311 ( 0.817 0.000 -1.799) 1.976 1.357 ( 4.185 0.000 1.241) 4.365 1.359 ( -0.594 0.000 -3.448) 3.499 1.390 ( -2.214 0.000 1.485) 2.666 1.400 ( 0.124 0.000 -1.190) 1.196 1.446 ( -1.409 0.000 1.897) 2.363 1.490 ( -0.003 0.000 1.368) 1.368 1.572 ( 0.244 0.000 0.234) 0.338 1.604 ( 0.148 0.000 2.832) 2.836 1.692 ( 1.238 0.000 -4.709) 4.869 1.727 ( -0.517 0.000 0.206) 0.557 1.773 ( 1.270 0.000 -1.350) 1.853 1.894 ( -1.736 0.000 -0.738) 1.886 2.024 ( 0.903 0.000 2.762) 2.906 2.031 ( -0.721 0.000 5.844) 5.888 2.711 ( 1.364 0.000 1.772) 2.236 2.842 ( 1.462 0.000 -1.140) 1.854 2.930 ( 0.422 0.000 5.303) 5.320 3.059 ( 0.238 0.000 2.550) 2.561 3.315 ( 1.655 0.000 1.124) 2.001 3.317 ( -0.626 0.000 -2.958) 3.024 3.417 ( 3.967 0.000 -0.852) 4.058 3.429 ( 3.503 0.000 0.677) 3.567 3.526 ( -1.910 0.000 -1.854) 2.662 3.548 ( -4.522 0.000 0.825) 4.597 3.584 ( -3.514 0.000 -0.952) 3.640 3.847 ( -4.402 0.000 0.047) 4.403 4.250 ( 0.875 0.000 0.745) 1.149 4.375 ( -0.414 0.000 -1.156) 1.228 4.803 ( -0.515 0.000 5.059) 5.085 4.854 ( 0.198 0.000 3.896) 3.901 4.913 ( -0.535 0.000 0.832) 0.990 4.995 ( 0.088 0.000 -1.351) 1.354 5.645 ( 1.222 0.000 -8.802) 8.886 5.679 ( -4.168 0.000 -8.423) 9.398 6.253 ( 2.159 0.000 6.484) 6.834 6.313 ( -0.787 0.000 6.407) 6.456 6.314 ( 0.101 0.000 5.997) 5.997 6.713 ( -1.010 0.000 -2.416) 2.619 6.858 ( -0.778 0.000 -6.106) 6.156 6.907 ( 5.258 0.000 1.119) 5.376 6.955 ( -1.020 0.000 -5.165) 5.265 7.022 ( 0.532 0.000 4.564) 4.595 7.196 ( -0.080 0.000 -1.655) 1.657 7.299 ( -2.852 0.000 -1.926) 3.441 8.300 ( 0.634 0.000 1.053) 1.229 8.392 ( 0.045 0.000 0.004) 0.045 8.575 ( 0.762 0.000 0.609) 0.976 8.664 ( -0.814 0.000 -0.468) 0.940 9.785 ( 0.105 0.000 -7.248) 7.249 9.786 ( 0.208 0.000 -3.505) 3.511 10.155 ( -0.628 0.000 5.939) 5.972 10.413 ( 1.686 0.000 -5.356) 5.615 11.583 ( -0.737 0.000 -0.645) 0.980 11.590 ( -0.516 0.000 -1.135) 1.247 11.656 ( -2.189 0.000 2.305) 3.179 11.672 ( 1.200 0.000 -0.394) 1.263 12.336 ( 1.302 0.000 -1.730) 2.165 12.392 ( -0.037 0.000 -0.823) 0.823 12.480 ( 0.300 0.000 0.109) 0.320 12.531 ( -2.727 0.000 2.546) 3.731 12.652 ( -0.198 0.000 -0.663) 0.692 12.670 ( -0.887 0.000 -2.220) 2.390 12.819 ( -1.514 0.000 5.966) 6.155 13.104 ( -1.650 0.000 -1.649) 2.333 20.775 ( 1.257 0.000 3.434) 3.657 20.988 ( 4.140 0.000 -5.000) 6.492 21.154 ( 0.151 0.000 -1.974) 1.980 21.292 ( -0.166 0.000 -0.487) 0.515 21.431 ( -1.022 0.000 -0.638) 1.205 21.553 ( 3.278 0.000 -7.062) 7.786 21.585 ( -0.441 0.000 0.097) 0.451 21.606 ( 0.184 0.000 0.947) 0.965 21.684 ( 3.248 0.000 5.688) 6.550 22.041 ( 2.441 0.000 6.216) 6.679 22.388 ( -15.501 0.000 1.743) 15.599 22.782 ( 1.119 0.000 -2.884) 3.093 22.822 ( -0.040 0.000 0.479) 0.481 22.844 ( -1.170 0.000 0.340) 1.218 22.866 ( -0.387 0.000 1.244) 1.303 23.117 ( -2.693 0.000 -6.635) 7.161 ======================= Grid point 81 (29/90) ======================= q-point: (-0.43 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.400 ( -6.030 0.000 -8.144) 10.134 0.501 ( 2.195 0.000 -0.977) 2.402 0.543 ( -2.430 0.000 -8.452) 8.794 0.657 ( 4.486 0.000 -5.792) 7.326 0.745 ( -0.800 0.000 -2.046) 2.196 0.755 ( 3.576 0.000 -0.096) 3.577 0.892 ( -7.181 0.000 0.205) 7.184 0.906 ( -0.864 0.000 -0.446) 0.973 0.941 ( -2.023 0.000 2.030) 2.866 0.972 ( -0.561 0.000 -1.334) 1.447 1.035 ( 1.426 0.000 3.858) 4.113 1.113 ( 1.393 0.000 -0.079) 1.395 1.131 ( -0.278 0.000 -0.274) 0.390 1.202 ( 1.653 0.000 -1.737) 2.397 1.235 ( -0.794 0.000 0.600) 0.995 1.267 ( -0.825 0.000 -4.755) 4.826 1.335 ( -1.192 0.000 2.407) 2.686 1.363 ( -2.003 0.000 -0.525) 2.071 1.380 ( -2.277 0.000 0.018) 2.277 1.434 ( 3.940 0.000 -0.279) 3.950 1.446 ( -0.815 0.000 1.537) 1.740 1.519 ( 1.685 0.000 -0.344) 1.719 1.592 ( 1.395 0.000 2.232) 2.632 1.607 ( -1.966 0.000 0.300) 1.989 1.686 ( 2.134 0.000 -1.249) 2.473 1.705 ( -0.350 0.000 -1.501) 1.541 1.797 ( 1.841 0.000 0.671) 1.960 1.858 ( -1.490 0.000 -1.677) 2.243 2.060 ( -0.135 0.000 2.757) 2.761 2.085 ( 0.584 0.000 4.216) 4.256 2.740 ( -0.545 0.000 2.764) 2.817 2.821 ( -1.806 0.000 -2.103) 2.772 3.020 ( 1.105 0.000 8.536) 8.607 3.107 ( 1.105 0.000 4.907) 5.029 3.264 ( -0.941 0.000 -3.999) 4.109 3.323 ( -3.902 0.000 1.593) 4.215 3.381 ( 2.258 0.000 -9.537) 9.801 3.433 ( -2.107 0.000 -1.006) 2.334 3.510 ( 1.277 0.000 -0.121) 1.283 3.564 ( 4.854 0.000 0.236) 4.860 3.628 ( 2.298 0.000 8.267) 8.580 3.761 ( -3.221 0.000 -4.297) 5.371 4.286 ( 1.446 0.000 2.125) 2.570 4.332 ( -2.214 0.000 -2.309) 3.199 4.865 ( 0.621 0.000 5.753) 5.787 4.913 ( 1.179 0.000 4.549) 4.699 4.917 ( -0.309 0.000 1.421) 1.454 4.977 ( -0.181 0.000 -1.846) 1.855 5.522 ( -3.379 0.000 -8.714) 9.346 5.593 ( 3.082 0.000 -7.816) 8.402 6.355 ( -1.642 0.000 5.201) 5.455 6.367 ( 2.719 0.000 7.163) 7.661 6.416 ( 2.420 0.000 8.730) 9.059 6.614 ( -3.735 0.000 -5.592) 6.725 6.791 ( -0.762 0.000 -4.194) 4.263 6.870 ( -0.102 0.000 -8.322) 8.323 7.066 ( 5.487 0.000 6.117) 8.217 7.073 ( 0.487 0.000 3.763) 3.794 7.185 ( -5.310 0.000 -6.831) 8.652 7.190 ( 2.428 0.000 -1.805) 3.025 8.327 ( 0.567 0.000 2.465) 2.529 8.380 ( -0.581 0.000 -1.275) 1.401 8.602 ( 0.850 0.000 1.801) 1.991 8.625 ( -2.365 0.000 -1.702) 2.914 9.748 ( 2.628 0.000 -4.786) 5.460 9.762 ( 2.248 0.000 -6.388) 6.772 10.183 ( -2.799 0.000 5.232) 5.933 10.372 ( 0.225 0.000 -5.310) 5.315 11.568 ( -0.790 0.000 -0.955) 1.239 11.568 ( -0.112 0.000 -0.467) 0.480 11.645 ( -1.506 0.000 1.231) 1.945 11.704 ( 2.340 0.000 0.273) 2.355 12.343 ( 1.253 0.000 -0.799) 1.486 12.344 ( -2.047 0.000 -1.827) 2.744 12.490 ( -3.927 0.000 0.717) 3.992 12.546 ( 3.929 0.000 2.701) 4.767 12.632 ( -0.512 0.000 -1.653) 1.730 12.655 ( 1.313 0.000 -1.662) 2.118 12.865 ( -1.442 0.000 7.715) 7.848 13.066 ( 0.317 0.000 -3.634) 3.648 20.795 ( -2.959 0.000 3.565) 4.633 21.004 ( 3.627 0.000 -4.182) 5.536 21.165 ( 1.200 0.000 1.016) 1.572 21.273 ( -0.429 0.000 -2.481) 2.518 21.415 ( -0.189 0.000 -0.437) 0.476 21.534 ( 4.265 0.000 -8.817) 9.795 21.598 ( 1.031 0.000 0.955) 1.406 21.617 ( 0.583 0.000 -0.162) 0.605 21.856 ( 6.794 0.000 10.113) 12.183 22.062 ( -3.583 0.000 -10.953) 11.524 22.232 ( -8.532 0.000 17.697) 19.647 22.763 ( 2.338 0.000 -5.760) 6.217 22.826 ( -0.098 0.000 0.854) 0.859 22.832 ( -0.345 0.000 0.219) 0.409 22.875 ( -0.470 0.000 1.514) 1.585 23.022 ( 0.496 0.000 -8.127) 8.142 ======================= Grid point 82 (30/90) ======================= q-point: (-0.29 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.210 ( -7.964 0.000 -4.012) 8.917 0.348 ( -9.595 0.000 -2.353) 9.879 0.594 ( 5.895 0.000 -1.449) 6.071 0.620 ( -9.175 0.000 -2.503) 9.510 0.724 ( 1.102 0.000 -2.164) 2.429 0.766 ( -1.480 0.000 0.580) 1.590 0.820 ( 3.064 0.000 0.518) 3.107 0.877 ( -1.588 0.000 -0.091) 1.591 0.942 ( -1.152 0.000 1.728) 2.076 0.977 ( 1.346 0.000 0.427) 1.412 1.055 ( -0.909 0.000 0.614) 1.096 1.098 ( 0.114 0.000 -3.989) 3.990 1.145 ( 0.286 0.000 3.214) 3.226 1.205 ( -0.536 0.000 -2.201) 2.265 1.226 ( 0.808 0.000 -3.226) 3.326 1.235 ( -1.443 0.000 1.499) 2.081 1.317 ( -2.319 0.000 1.809) 2.941 1.328 ( -3.403 0.000 -0.476) 3.436 1.380 ( 1.972 0.000 3.014) 3.602 1.447 ( -0.469 0.000 0.777) 0.907 1.485 ( 3.770 0.000 -1.011) 3.903 1.539 ( 1.895 0.000 -1.516) 2.427 1.568 ( -2.020 0.000 -0.578) 2.101 1.610 ( -0.815 0.000 0.533) 0.974 1.692 ( 0.387 0.000 -1.570) 1.617 1.731 ( 0.807 0.000 2.311) 2.448 1.804 ( -2.563 0.000 -2.232) 3.399 1.855 ( 4.295 0.000 1.259) 4.476 2.076 ( -0.525 0.000 1.339) 1.439 2.121 ( 0.703 0.000 0.481) 0.852 2.753 ( -1.291 0.000 2.566) 2.873 2.754 ( -3.204 0.000 -2.237) 3.907 3.089 ( -1.950 0.000 4.081) 4.523 3.183 ( 1.218 0.000 3.582) 3.783 3.240 ( 0.648 0.000 1.051) 1.234 3.248 ( -0.576 0.000 -4.691) 4.726 3.351 ( -5.101 0.000 -1.936) 5.456 3.362 ( 3.182 0.000 -6.938) 7.633 3.572 ( 3.643 0.000 2.231) 4.272 3.622 ( 2.678 0.000 -0.355) 2.702 3.677 ( 0.591 0.000 -6.294) 6.321 3.810 ( 5.457 0.000 15.631) 16.556 4.272 ( -2.297 0.000 -1.507) 2.747 4.330 ( 1.052 0.000 2.080) 2.331 4.915 ( 0.203 0.000 2.053) 2.063 4.936 ( -0.011 0.000 2.650) 2.650 4.955 ( 0.119 0.000 -1.284) 1.290 4.964 ( 0.967 0.000 0.261) 1.001 5.419 ( -1.884 0.000 -2.062) 2.793 5.591 ( 3.702 0.000 -2.952) 4.735 6.356 ( -2.045 0.000 0.591) 2.128 6.466 ( 2.014 0.000 2.693) 3.363 6.510 ( -2.303 0.000 -4.800) 5.324 6.544 ( 2.936 0.000 7.687) 8.229 6.763 ( -0.780 0.000 2.153) 2.290 6.779 ( -0.721 0.000 -7.971) 8.004 6.990 ( -7.026 0.000 -8.623) 11.123 7.123 ( -0.107 0.000 -0.716) 0.724 7.130 ( 1.317 0.000 2.169) 2.538 7.288 ( 6.399 0.000 3.307) 7.203 8.356 ( -0.081 0.000 -2.118) 2.120 8.372 ( 0.958 0.000 4.054) 4.165 8.566 ( -2.656 0.000 -1.113) 2.880 8.630 ( 0.045 0.000 2.075) 2.076 9.694 ( 0.010 0.000 -11.730) 11.730 9.762 ( 3.304 0.000 -2.108) 3.919 10.178 ( -4.198 0.000 5.069) 6.582 10.322 ( -0.570 0.000 -3.440) 3.487 11.553 ( -0.607 0.000 0.999) 1.169 11.571 ( 0.384 0.000 0.325) 0.503 11.633 ( -0.899 0.000 0.349) 0.964 11.743 ( 2.327 0.000 -0.237) 2.339 12.311 ( -0.493 0.000 -0.562) 0.747 12.351 ( -0.935 0.000 0.794) 1.227 12.453 ( -0.228 0.000 0.470) 0.522 12.580 ( -1.745 0.000 -0.150) 1.752 12.661 ( 4.378 0.000 1.491) 4.625 12.666 ( 1.247 0.000 -0.694) 1.427 12.945 ( 0.027 0.000 11.979) 11.979 13.038 ( 1.664 0.000 -4.767) 5.049 20.772 ( -3.800 0.000 3.197) 4.966 21.014 ( 3.150 0.000 -5.817) 6.615 21.194 ( -0.134 0.000 2.662) 2.666 21.201 ( -1.891 0.000 -11.713) 11.864 21.415 ( 0.210 0.000 0.271) 0.342 21.495 ( 2.832 0.000 -10.058) 10.449 21.619 ( 0.538 0.000 -1.029) 1.161 21.627 ( 1.441 0.000 0.373) 1.488 21.829 ( -6.986 0.000 -10.307) 12.452 22.045 ( 3.987 0.000 6.787) 7.871 22.406 ( -0.436 0.000 27.718) 27.721 22.760 ( 3.810 0.000 -4.005) 5.528 22.841 ( 0.371 0.000 2.076) 2.108 22.844 ( 2.123 0.000 -0.365) 2.155 22.883 ( -0.920 0.000 3.407) 3.529 22.969 ( 2.398 0.000 -6.471) 6.901 ======================= Grid point 83 (31/90) ======================= q-point: (-0.14 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.169 ( -3.183 0.000 11.254) 11.696 0.249 ( -6.534 0.000 12.947) 14.502 0.394 ( -16.315 0.000 8.689) 18.484 0.644 ( 4.554 0.000 -5.586) 7.207 0.738 ( 1.252 0.000 -0.149) 1.261 0.809 ( 2.964 0.000 0.535) 3.012 0.849 ( -2.474 0.000 0.264) 2.488 0.875 ( 3.558 0.000 0.340) 3.574 0.939 ( 1.385 0.000 -0.892) 1.648 0.997 ( -2.151 0.000 1.630) 2.699 1.057 ( 2.188 0.000 0.235) 2.200 1.080 ( 1.248 0.000 -1.527) 1.972 1.155 ( -1.770 0.000 -1.279) 2.184 1.178 ( -1.394 0.000 3.833) 4.079 1.213 ( -2.608 0.000 1.263) 2.898 1.233 ( 1.817 0.000 0.746) 1.964 1.271 ( -2.313 0.000 -0.897) 2.480 1.305 ( -1.229 0.000 0.580) 1.359 1.420 ( 1.205 0.000 -3.048) 3.278 1.470 ( 0.998 0.000 3.256) 3.405 1.536 ( 3.119 0.000 -0.507) 3.160 1.542 ( -1.532 0.000 1.075) 1.871 1.549 ( 2.055 0.000 -2.483) 3.224 1.594 ( -1.023 0.000 -0.268) 1.058 1.687 ( 0.942 0.000 -0.716) 1.183 1.736 ( -1.886 0.000 0.919) 2.098 1.748 ( -1.551 0.000 -1.629) 2.249 1.936 ( 3.153 0.000 1.575) 3.525 2.061 ( -2.127 0.000 -1.236) 2.460 2.113 ( 0.227 0.000 -3.632) 3.639 2.691 ( -1.575 0.000 -1.545) 2.206 2.747 ( -1.693 0.000 0.859) 1.898 3.048 ( -9.174 0.000 -18.619) 20.757 3.052 ( -3.615 0.000 -1.323) 3.850 3.226 ( -2.382 0.000 1.224) 2.679 3.252 ( -1.815 0.000 -1.840) 2.584 3.289 ( -0.526 0.000 3.583) 3.622 3.378 ( 3.335 0.000 1.673) 3.731 3.593 ( -0.202 0.000 -1.985) 1.996 3.649 ( 0.809 0.000 0.323) 0.871 3.720 ( 5.246 0.000 2.828) 5.960 4.088 ( 9.143 0.000 3.416) 9.760 4.233 ( -1.384 0.000 -0.923) 1.663 4.352 ( -0.252 0.000 0.571) 0.625 4.919 ( -0.037 0.000 -1.639) 1.639 4.946 ( 0.768 0.000 -1.816) 1.972 4.953 ( -0.849 0.000 0.474) 0.973 4.956 ( 0.327 0.000 -3.205) 3.222 5.431 ( 0.045 0.000 6.925) 6.925 5.705 ( 8.305 0.000 9.964) 12.971 6.310 ( -1.171 0.000 -3.620) 3.805 6.445 ( 0.070 0.000 -4.097) 4.098 6.465 ( 0.091 0.000 -5.189) 5.190 6.660 ( 2.139 0.000 5.257) 5.675 6.739 ( -6.815 0.000 -3.589) 7.703 6.745 ( 2.519 0.000 8.148) 8.528 6.875 ( 1.370 0.000 5.178) 5.356 7.103 ( 0.162 0.000 -2.617) 2.622 7.166 ( 0.394 0.000 1.700) 1.745 7.384 ( 2.255 0.000 -0.413) 2.292 8.339 ( 0.821 0.000 -2.233) 2.379 8.410 ( -0.427 0.000 -2.503) 2.539 8.533 ( -1.308 0.000 0.781) 1.524 8.640 ( -1.028 0.000 1.296) 1.654 9.645 ( 5.962 0.000 13.500) 14.758 9.807 ( 3.539 0.000 0.115) 3.541 10.154 ( -5.206 0.000 4.863) 7.124 10.282 ( -0.187 0.000 -4.111) 4.116 11.580 ( 0.148 0.000 0.519) 0.540 11.594 ( 2.698 0.000 4.655) 5.380 11.624 ( -0.286 0.000 0.260) 0.386 11.769 ( 1.470 0.000 -0.941) 1.746 12.310 ( 0.164 0.000 0.275) 0.320 12.331 ( -1.560 0.000 0.306) 1.590 12.490 ( 1.520 0.000 2.176) 2.654 12.550 ( -1.041 0.000 -0.662) 1.234 12.677 ( 0.854 0.000 -0.516) 0.998 12.727 ( 1.451 0.000 0.890) 1.702 13.034 ( 3.446 0.000 -3.326) 4.789 13.143 ( 7.304 0.000 9.564) 12.033 20.742 ( -3.435 0.000 2.443) 4.215 20.791 ( -11.154 0.000 -17.752) 20.965 21.094 ( -0.183 0.000 2.623) 2.629 21.214 ( -1.055 0.000 3.273) 3.438 21.423 ( 0.036 0.000 0.743) 0.744 21.485 ( 2.899 0.000 1.186) 3.132 21.621 ( 0.901 0.000 -0.172) 0.917 21.646 ( 0.937 0.000 -0.681) 1.158 21.694 ( -2.181 0.000 -3.248) 3.913 22.090 ( -0.625 0.000 -2.661) 2.733 22.699 ( 4.252 0.000 8.969) 9.926 22.781 ( 0.889 0.000 -0.451) 0.997 22.863 ( 0.213 0.000 0.435) 0.484 22.880 ( 1.162 0.000 -0.014) 1.162 23.000 ( 7.794 0.000 -1.911) 8.025 23.090 ( 16.031 0.000 25.096) 29.779 ======================= Grid point 84 (32/90) ======================= q-point: ( 0.00 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.195 ( 0.779 4.393 5.395) 7.001 0.252 ( -1.843 7.962 7.113) 10.835 0.554 ( -1.816 -5.562 -3.612) 6.876 0.665 ( 3.975 3.765 -5.514) 7.770 0.772 ( -1.188 -0.733 -1.069) 1.759 0.812 ( -1.125 2.432 2.272) 3.513 0.864 ( 0.758 -0.005 -0.003) 0.758 0.915 ( 1.143 3.697 1.465) 4.138 0.976 ( -1.484 1.325 1.604) 2.555 0.999 ( 0.530 4.460 1.942) 4.893 1.047 ( 2.349 2.170 -0.865) 3.312 1.120 ( 0.323 -1.070 -0.656) 1.296 1.141 ( 0.377 1.823 1.298) 2.269 1.179 ( -2.036 -0.082 1.166) 2.348 1.218 ( 0.986 0.809 -0.075) 1.278 1.257 ( 0.090 0.636 1.825) 1.934 1.286 ( -0.648 0.306 -0.322) 0.786 1.365 ( 0.752 4.835 3.919) 6.269 1.381 ( 0.868 1.034 -4.234) 4.444 1.464 ( -0.652 -0.768 1.856) 2.112 1.477 ( -1.571 -0.729 1.074) 2.038 1.573 ( -0.797 0.982 -1.981) 2.350 1.586 ( 0.858 0.901 -2.145) 2.480 1.613 ( -1.467 2.802 -0.233) 3.171 1.681 ( 0.039 -1.034 -1.493) 1.816 1.709 ( 0.582 0.343 -2.422) 2.514 1.751 ( 1.794 -0.549 3.651) 4.105 1.988 ( -0.051 0.874 2.921) 3.050 2.023 ( -0.444 0.166 0.528) 0.709 2.061 ( -1.171 -0.769 -9.466) 9.569 2.681 ( 0.071 -0.482 0.883) 1.009 2.745 ( 0.234 1.462 -1.514) 2.118 2.858 ( 0.205 1.130 1.687) 2.040 2.985 ( -1.287 1.225 -3.527) 3.949 3.196 ( -0.229 -0.979 -0.498) 1.122 3.224 ( -1.087 -0.856 -1.181) 1.819 3.319 ( -0.921 0.224 2.343) 2.528 3.363 ( 4.053 -7.394 2.281) 8.735 3.588 ( 0.621 -0.546 -0.127) 0.837 3.641 ( -0.766 -0.747 -0.940) 1.425 3.791 ( -0.494 -5.324 8.262) 9.841 3.907 ( -3.256 -2.255 4.887) 6.290 4.266 ( 0.996 2.638 1.777) 3.333 4.362 ( -0.698 0.337 0.841) 1.144 4.853 ( -0.377 -0.836 -4.174) 4.274 4.919 ( -1.303 -0.751 0.397) 1.555 4.934 ( -0.060 0.170 -4.113) 4.117 4.957 ( 0.836 -0.393 0.074) 0.927 5.653 ( 0.793 7.704 2.493) 8.136 5.829 ( -1.152 -1.718 0.930) 2.268 6.270 ( -0.218 2.505 -3.880) 4.623 6.391 ( -0.537 0.095 -6.076) 6.101 6.444 ( 2.317 0.681 -2.262) 3.309 6.526 ( -5.396 -1.615 -6.540) 8.631 6.748 ( 0.870 -1.870 6.314) 6.642 6.858 ( 2.995 -7.923 5.547) 10.125 6.920 ( 3.538 -7.042 5.687) 9.719 7.053 ( 0.484 -3.976 -2.183) 4.562 7.129 ( -0.658 -5.115 2.462) 5.715 7.270 ( -1.054 -7.647 -1.570) 7.877 8.312 ( -1.946 0.086 -0.510) 2.013 8.335 ( 1.943 -0.175 -1.434) 2.421 8.539 ( 0.594 -0.991 1.836) 2.170 8.605 ( -1.466 -1.918 -0.207) 2.423 9.769 ( 3.005 -7.072 8.603) 11.535 9.953 ( 4.346 -4.009 -0.376) 5.924 10.064 ( -2.537 -5.851 2.889) 7.001 10.200 ( 1.804 -4.788 -4.284) 6.673 11.598 ( -0.944 1.611 2.344) 2.997 11.632 ( -0.121 1.585 -0.539) 1.679 11.691 ( 0.656 1.617 0.654) 1.864 11.800 ( 0.615 2.341 -2.058) 3.177 12.360 ( 0.257 4.586 1.365) 4.791 12.447 ( 0.627 6.565 -1.654) 6.799 12.548 ( -1.697 3.983 -0.049) 4.330 12.556 ( 0.008 1.864 -0.662) 1.978 12.688 ( 2.534 0.794 1.934) 3.285 12.738 ( -2.737 1.900 0.777) 3.422 13.066 ( 3.675 -1.597 0.227) 4.014 13.144 ( -8.772 5.436 -6.542) 12.219 20.700 ( 0.659 -0.789 1.781) 2.056 20.797 ( 4.672 1.249 -1.318) 5.012 21.160 ( 1.054 0.434 6.675) 6.771 21.268 ( -3.268 1.012 2.580) 4.285 21.493 ( 0.023 2.684 0.496) 2.730 21.602 ( 5.197 1.377 -4.618) 7.088 21.673 ( 0.538 2.349 -2.152) 3.231 21.733 ( 1.570 8.585 -4.267) 9.714 21.762 ( 1.847 8.545 1.105) 8.812 21.966 ( -2.738 -2.444 -5.207) 6.371 22.742 ( -1.791 -2.285 1.462) 3.250 22.770 ( 0.389 -2.158 2.322) 3.194 22.812 ( -1.322 -6.487 4.692) 8.115 22.859 ( -0.015 -1.059 0.846) 1.356 22.951 ( -0.237 -12.850 1.153) 12.904 23.118 ( -4.405 -8.968 -4.391) 10.914 ======================= Grid point 85 (33/90) ======================= q-point: ( 0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.348 ( 2.652 -1.902 9.763) 10.294 0.388 ( 8.213 -3.532 6.487) 11.045 0.481 ( 0.341 -4.691 -6.095) 7.699 0.665 ( 4.745 1.590 -8.054) 9.482 0.762 ( -0.744 -1.574 1.737) 2.460 0.783 ( -1.259 -1.691 0.174) 2.116 0.874 ( -1.193 -0.933 -1.828) 2.374 0.887 ( -0.677 1.160 -0.513) 1.438 0.953 ( -2.764 1.065 0.738) 3.052 1.034 ( -0.740 3.984 -2.600) 4.815 1.081 ( 1.761 5.148 4.731) 7.210 1.121 ( -1.112 1.667 0.545) 2.077 1.179 ( 3.069 -0.599 -1.501) 3.469 1.186 ( 0.388 2.895 3.579) 4.620 1.232 ( 0.845 0.362 -0.490) 1.042 1.257 ( 0.717 -0.473 -0.886) 1.234 1.301 ( 2.288 0.936 0.255) 2.485 1.350 ( 1.547 0.759 -4.035) 4.387 1.428 ( -1.466 3.009 3.596) 4.912 1.474 ( -1.898 2.193 5.267) 6.013 1.484 ( 0.471 0.012 2.363) 2.410 1.532 ( -1.077 0.381 -1.934) 2.246 1.576 ( 0.821 2.269 -1.624) 2.909 1.586 ( -1.280 2.906 -1.527) 3.523 1.670 ( 0.430 -1.457 -0.728) 1.685 1.707 ( 1.966 0.501 -1.766) 2.690 1.830 ( 2.104 -0.709 4.908) 5.387 1.934 ( -1.177 -0.526 -10.107) 10.189 2.002 ( -1.799 1.327 2.990) 3.733 2.023 ( -1.130 0.074 0.317) 1.176 2.688 ( -0.232 -0.038 0.950) 0.979 2.743 ( 1.407 1.073 -1.114) 2.091 2.907 ( 1.536 0.008 0.972) 1.818 2.942 ( 0.808 -0.246 -2.924) 3.043 3.202 ( 2.251 1.388 -0.233) 2.655 3.234 ( 1.884 -4.591 1.050) 5.073 3.329 ( 0.781 0.141 -0.057) 0.796 3.413 ( 1.893 -3.157 -1.767) 4.083 3.574 ( -2.733 -2.226 -0.472) 3.556 3.629 ( 0.798 1.127 0.295) 1.412 3.819 ( -6.276 -4.007 5.908) 9.505 3.886 ( -2.742 -0.385 2.478) 3.716 4.313 ( 0.407 0.978 2.919) 3.105 4.337 ( -0.862 3.216 -0.496) 3.367 4.814 ( -1.006 -0.922 -0.954) 1.666 4.860 ( -1.315 -0.808 -4.731) 4.976 4.920 ( -0.821 -0.328 0.744) 1.156 4.975 ( 1.140 -0.776 -0.054) 1.380 5.720 ( 0.863 3.414 6.625) 7.503 5.793 ( -2.250 -0.638 -1.712) 2.898 6.249 ( 0.055 1.917 0.066) 1.919 6.307 ( -1.574 1.927 -5.915) 6.417 6.388 ( -4.609 0.211 -3.821) 5.991 6.499 ( 4.778 -0.926 0.801) 4.932 6.814 ( 0.245 -3.724 4.114) 5.554 6.909 ( 1.131 -7.026 -0.266) 7.122 6.990 ( -0.110 -5.427 0.505) 5.452 7.027 ( -0.304 -4.055 -2.363) 4.703 7.163 ( 0.313 -6.603 4.743) 8.136 7.225 ( -1.596 -5.844 -2.139) 6.425 8.290 ( -0.281 0.765 -0.491) 0.952 8.357 ( 2.188 0.276 -0.840) 2.360 8.569 ( -0.428 -2.126 0.468) 2.219 8.589 ( 0.823 -1.793 0.984) 2.205 9.842 ( -2.393 -6.278 3.278) 7.475 9.965 ( 2.304 -3.646 -2.943) 5.221 10.009 ( -4.819 -1.791 0.421) 5.158 10.257 ( 5.777 -10.266 -1.522) 11.878 11.594 ( -1.322 1.464 0.746) 2.109 11.633 ( 0.278 1.978 0.554) 2.073 11.698 ( -1.031 1.862 1.633) 2.683 11.775 ( -0.583 2.779 -2.620) 3.863 12.377 ( -0.083 4.794 1.819) 5.128 12.411 ( -1.999 5.728 -1.627) 6.281 12.537 ( -0.287 2.404 1.704) 2.960 12.574 ( 1.760 2.137 0.005) 2.768 12.687 ( -3.063 1.343 -1.489) 3.661 12.748 ( 1.901 4.015 2.504) 5.100 12.940 ( -9.068 6.209 -0.827) 11.021 13.127 ( 1.333 -0.868 1.450) 2.152 20.700 ( -0.300 1.098 -0.225) 1.160 20.892 ( 8.333 -2.605 -4.341) 9.750 21.220 ( -3.225 -1.318 1.965) 4.000 21.255 ( -0.792 2.165 7.025) 7.393 21.496 ( 0.322 1.001 -1.214) 1.606 21.608 ( 1.972 1.921 -3.813) 4.703 21.649 ( -0.752 3.609 -0.398) 3.708 21.695 ( 0.743 9.137 -5.469) 10.674 21.850 ( -0.103 2.593 -2.607) 3.679 21.851 ( 0.699 3.725 -1.167) 3.966 22.684 ( -12.429 -8.278 7.232) 16.592 22.778 ( 0.439 -0.050 -0.766) 0.884 22.825 ( -3.801 -5.848 3.497) 7.803 22.862 ( -0.550 -0.941 0.485) 1.193 22.873 ( -2.711 -0.887 -0.631) 2.922 23.074 ( -0.320 -14.225 1.259) 14.284 ======================= Grid point 86 (34/90) ======================= q-point: ( 0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.414 ( 3.542 -3.115 -3.920) 6.134 0.487 ( 3.187 1.043 2.139) 3.977 0.574 ( 4.765 -10.708 3.056) 12.112 0.657 ( 3.944 -1.180 -5.638) 6.981 0.749 ( -0.920 -1.700 0.668) 2.044 0.814 ( -0.576 -0.459 1.032) 1.268 0.840 ( 0.707 1.235 2.469) 2.850 0.881 ( -0.285 2.351 -0.222) 2.379 0.907 ( -2.682 -0.266 -0.403) 2.725 0.980 ( -0.091 3.889 -4.684) 6.089 1.099 ( -0.014 -0.745 -1.371) 1.561 1.152 ( 0.719 4.123 3.038) 5.172 1.177 ( -1.871 1.197 -0.840) 2.375 1.224 ( 0.127 0.402 0.599) 0.733 1.246 ( 1.148 1.823 2.567) 3.351 1.277 ( 3.019 -1.227 -1.254) 3.492 1.348 ( 2.440 1.956 -1.743) 3.581 1.348 ( 1.736 0.522 -0.294) 1.837 1.433 ( -0.121 1.497 0.231) 1.519 1.440 ( -3.083 0.298 1.122) 3.295 1.483 ( -1.304 2.146 0.342) 2.534 1.524 ( -2.568 2.476 -2.733) 4.494 1.556 ( 0.435 2.480 2.038) 3.239 1.616 ( 2.107 3.798 2.842) 5.190 1.681 ( 0.834 -1.663 0.473) 1.920 1.726 ( 1.909 0.558 -1.568) 2.533 1.825 ( 0.208 1.074 -7.926) 8.001 1.909 ( 0.473 0.206 4.813) 4.840 1.983 ( -1.588 -1.028 -1.122) 2.199 2.014 ( -1.572 1.067 3.341) 3.844 2.694 ( 0.470 1.292 0.237) 1.395 2.775 ( 3.013 -1.934 0.000) 3.581 2.898 ( -0.186 0.002 -1.181) 1.196 2.955 ( -0.760 -5.126 2.135) 5.604 3.264 ( 2.785 -1.323 0.079) 3.084 3.276 ( 2.357 -2.964 1.950) 4.260 3.355 ( 3.913 0.177 -2.386) 4.587 3.401 ( -0.772 -0.569 -0.479) 1.072 3.534 ( -1.034 -2.129 -0.557) 2.431 3.639 ( -0.384 2.499 0.052) 2.529 3.723 ( -7.532 -0.492 -0.633) 7.575 3.864 ( -4.664 -2.637 3.643) 6.479 4.283 ( -0.608 2.531 -2.727) 3.769 4.373 ( 0.452 0.429 1.664) 1.777 4.787 ( -1.445 -0.463 -0.328) 1.553 4.828 ( -0.523 -0.661 2.192) 2.348 4.914 ( -0.714 -0.251 0.607) 0.970 4.988 ( 0.836 -0.900 -0.707) 1.418 5.735 ( -0.778 1.732 -4.286) 4.688 5.776 ( -1.075 1.056 2.575) 2.984 6.241 ( -0.733 3.033 -1.767) 3.586 6.268 ( -0.344 0.836 3.704) 3.813 6.312 ( -2.628 1.212 0.872) 3.022 6.605 ( 5.511 -2.842 2.827) 6.815 6.817 ( -1.632 -6.598 -1.624) 6.988 6.920 ( 1.138 -4.176 -1.295) 4.518 6.944 ( -1.166 -3.562 -4.140) 5.585 7.010 ( -0.742 -1.259 0.001) 1.461 7.168 ( -1.354 -5.568 -1.252) 5.865 7.226 ( 0.234 -8.392 2.268) 8.696 8.288 ( 0.553 0.473 -0.354) 0.809 8.384 ( 1.591 0.356 -0.262) 1.651 8.557 ( -0.031 -1.178 -0.471) 1.269 8.623 ( 0.612 -3.084 1.573) 3.515 9.795 ( -2.293 -2.967 -2.326) 4.413 9.883 ( -3.018 -2.037 -5.417) 6.527 10.053 ( 1.774 -2.939 5.163) 6.200 10.306 ( 3.231 -10.325 -2.895) 11.199 11.579 ( -0.950 0.676 -0.057) 1.167 11.647 ( -0.212 2.629 1.934) 3.271 11.690 ( -1.128 2.635 0.059) 2.867 11.740 ( -0.712 3.807 -1.547) 4.170 12.370 ( -0.497 3.481 -1.821) 3.960 12.403 ( 0.433 3.732 2.139) 4.323 12.549 ( -1.113 2.336 1.963) 3.248 12.577 ( -1.779 3.691 -1.463) 4.351 12.643 ( 0.220 -0.177 -0.177) 0.333 12.781 ( -1.645 6.900 0.255) 7.098 12.843 ( -2.178 3.401 1.972) 4.495 13.134 ( -1.810 -0.641 0.988) 2.160 20.715 ( 2.211 0.578 0.542) 2.348 20.958 ( 5.967 -1.132 -4.881) 7.792 21.171 ( -2.603 -2.664 -1.134) 3.893 21.291 ( -3.157 1.279 4.534) 5.671 21.479 ( 0.887 -1.146 -2.928) 3.267 21.601 ( 1.839 4.781 -4.198) 6.623 21.640 ( -0.221 5.144 -0.630) 5.187 21.679 ( 0.684 7.495 1.623) 7.699 21.733 ( -2.864 5.022 -4.235) 7.167 21.949 ( 3.473 2.460 4.422) 6.137 22.514 ( -15.607 -9.165 5.932) 19.047 22.778 ( 0.582 -0.608 -1.063) 1.356 22.811 ( -0.082 -0.936 0.258) 0.974 22.854 ( -0.649 -0.906 0.300) 1.154 22.857 ( -0.661 -0.769 0.123) 1.021 23.057 ( -3.008 -14.652 -0.130) 14.958 ======================= Grid point 87 (35/90) ======================= q-point: ( 0.43 0.10 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.467 ( 5.689 2.199 -0.667) 6.135 0.507 ( -1.883 0.833 -2.118) 2.953 0.598 ( 1.395 -2.899 -0.978) 3.363 0.685 ( 0.505 -7.024 0.005) 7.042 0.762 ( -1.858 3.364 -4.053) 5.585 0.784 ( 3.753 -2.908 0.860) 4.826 0.827 ( -3.981 2.093 -1.693) 4.806 0.905 ( 1.618 -0.535 3.179) 3.607 0.931 ( 1.787 0.095 2.056) 2.726 0.956 ( 1.429 2.345 -1.634) 3.196 1.082 ( -0.961 0.508 -4.326) 4.460 1.114 ( -1.021 -1.427 0.716) 1.895 1.180 ( -0.410 4.646 0.370) 4.679 1.229 ( -0.706 1.140 1.485) 2.001 1.283 ( 0.208 2.606 1.397) 2.964 1.327 ( 3.294 -0.895 -1.087) 3.582 1.344 ( 0.292 2.687 -1.848) 3.274 1.375 ( 0.119 0.340 -0.013) 0.361 1.393 ( -0.949 0.788 -0.439) 1.309 1.438 ( -2.049 2.813 -0.680) 3.546 1.464 ( -1.367 2.736 0.351) 3.079 1.483 ( 0.673 0.505 0.979) 1.291 1.579 ( -0.298 1.238 2.346) 2.669 1.663 ( 0.639 3.690 1.546) 4.052 1.693 ( 0.158 -0.983 -0.127) 1.004 1.722 ( 1.867 1.763 -3.907) 4.675 1.795 ( 1.583 1.663 -2.152) 3.147 1.895 ( -2.453 0.191 -1.728) 3.007 1.997 ( 0.744 -2.072 3.342) 4.002 2.033 ( -0.758 -0.338 3.799) 3.888 2.713 ( 0.785 0.187 1.123) 1.382 2.811 ( 1.459 -2.887 -1.455) 3.546 2.922 ( 1.742 -1.276 4.162) 4.689 2.953 ( -1.868 -6.319 2.977) 7.231 3.247 ( -1.032 -6.143 -2.869) 6.859 3.346 ( 1.167 1.958 0.670) 2.376 3.393 ( 3.596 -2.699 -1.619) 4.779 3.407 ( 1.502 -2.755 -0.237) 3.147 3.516 ( -2.188 -0.713 0.193) 2.309 3.608 ( -1.754 4.051 -0.468) 4.439 3.622 ( -2.091 3.257 -1.387) 4.111 3.812 ( -4.291 -3.146 0.813) 5.382 4.263 ( 1.122 0.922 -1.898) 2.390 4.357 ( -1.647 -2.078 -2.558) 3.684 4.794 ( 0.087 0.206 3.892) 3.898 4.864 ( 0.106 0.234 4.772) 4.778 4.912 ( -0.334 -0.103 0.847) 0.916 4.986 ( 0.317 -0.739 -1.486) 1.689 5.686 ( 0.587 4.453 -4.981) 6.707 5.728 ( -2.748 3.783 -4.330) 6.372 6.270 ( 1.815 2.125 4.968) 5.700 6.310 ( -0.232 -0.304 5.764) 5.776 6.320 ( -0.644 0.742 5.146) 5.239 6.678 ( -0.800 -3.363 -1.448) 3.748 6.770 ( 0.518 -7.124 -2.037) 7.427 6.894 ( -0.672 -5.541 -4.509) 7.176 6.912 ( 2.988 -0.598 -2.227) 3.774 7.021 ( 0.403 -1.045 2.594) 2.825 7.136 ( -0.619 -5.844 -2.349) 6.329 7.218 ( -1.841 -8.195 -1.404) 8.516 8.299 ( 0.826 0.152 0.319) 0.898 8.394 ( 0.272 -0.083 -0.986) 1.026 8.564 ( 0.693 -0.829 0.886) 1.397 8.633 ( -0.809 -2.897 0.512) 3.052 9.741 ( -0.398 -1.835 -3.824) 4.260 9.807 ( 0.601 -0.636 -5.293) 5.365 10.118 ( -0.601 -3.719 5.170) 6.397 10.309 ( 1.586 -9.511 -3.864) 10.387 11.564 ( -0.687 0.560 -0.061) 0.888 11.662 ( -1.230 1.713 2.439) 3.224 11.665 ( -0.199 4.476 -1.931) 4.879 11.729 ( 0.504 4.265 -0.226) 4.301 12.354 ( 0.951 1.903 -1.978) 2.905 12.406 ( -2.105 1.960 -1.063) 3.067 12.530 ( -0.180 3.495 1.021) 3.646 12.563 ( -1.300 2.824 2.614) 4.062 12.652 ( 0.391 0.758 -0.388) 0.937 12.723 ( -1.656 5.003 -3.198) 6.164 12.879 ( 0.474 5.448 4.554) 7.117 13.102 ( -1.812 -0.019 -0.869) 2.010 20.769 ( 1.266 -0.156 2.971) 3.233 20.997 ( 4.816 0.194 -3.829) 6.156 21.123 ( -0.333 -2.284 -2.866) 3.680 21.257 ( -4.147 -3.079 1.186) 5.299 21.472 ( 0.936 1.376 -1.985) 2.590 21.572 ( 1.615 4.924 -5.831) 7.800 21.660 ( 1.271 4.405 0.784) 4.651 21.699 ( 0.632 3.523 2.624) 4.438 21.722 ( 1.837 9.537 3.056) 10.181 22.055 ( 3.023 1.816 5.826) 6.810 22.313 ( -13.800 -7.172 1.392) 15.615 22.764 ( 0.366 -2.422 -3.728) 4.460 22.815 ( -0.068 -0.421 0.355) 0.555 22.848 ( -0.478 -0.359 -0.167) 0.621 22.854 ( -0.157 -0.920 0.985) 1.357 22.989 ( -1.930 -11.362 -3.901) 12.168 ======================= Grid point 88 (36/90) ======================= q-point: (-0.43 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.429 ( -5.410 6.664 1.315) 8.683 0.549 ( 1.086 2.493 2.446) 3.657 0.612 ( 1.061 1.595 -1.899) 2.697 0.677 ( 0.287 -3.200 -2.979) 4.382 0.705 ( 0.282 2.217 -3.123) 3.840 0.752 ( 0.266 1.216 -2.500) 2.793 0.858 ( 1.862 -1.334 1.988) 3.033 0.905 ( -3.422 -1.666 -0.653) 3.862 0.940 ( 0.304 -0.751 0.750) 1.104 0.988 ( -0.053 -0.545 -1.628) 1.717 1.053 ( 2.100 2.725 1.956) 3.958 1.131 ( -1.003 3.047 -1.115) 3.396 1.156 ( -0.591 3.274 0.558) 3.374 1.237 ( -0.918 0.949 1.611) 2.083 1.249 ( -1.980 3.380 -5.099) 6.430 1.296 ( 1.045 1.951 -2.195) 3.118 1.352 ( -2.046 1.425 1.143) 2.743 1.365 ( -0.892 0.323 0.104) 0.955 1.394 ( -1.994 1.682 -0.556) 2.668 1.422 ( 2.365 -1.141 0.736) 2.727 1.469 ( 0.140 3.017 2.074) 3.663 1.509 ( 0.859 0.255 -0.095) 0.901 1.598 ( -0.548 0.600 2.984) 3.093 1.667 ( -0.820 2.348 0.317) 2.507 1.691 ( -0.206 -0.058 -0.218) 0.305 1.722 ( 2.274 3.280 -2.705) 4.821 1.809 ( 2.040 1.273 -0.691) 2.502 1.847 ( -1.221 -0.837 -1.833) 2.356 2.031 ( -0.224 -2.484 2.240) 3.352 2.068 ( 0.847 -2.090 2.970) 3.729 2.726 ( -1.261 -1.530 1.480) 2.474 2.798 ( -0.483 -1.712 -1.560) 2.366 2.982 ( 0.343 -5.053 6.022) 7.868 3.017 ( 2.058 -4.218 5.963) 7.588 3.192 ( -0.446 -5.617 -4.068) 6.950 3.322 ( -1.567 -5.150 -9.073) 10.550 3.363 ( 0.523 1.255 0.591) 1.482 3.432 ( -3.247 0.272 -0.207) 3.265 3.516 ( 1.768 -3.690 3.128) 5.150 3.599 ( 1.558 5.249 -1.990) 5.826 3.641 ( 1.775 2.418 4.752) 5.620 3.749 ( -1.861 -1.388 -3.170) 3.929 4.275 ( 0.487 -2.640 -1.035) 2.878 4.291 ( -0.992 -1.397 -2.638) 3.146 4.851 ( 0.664 0.029 4.944) 4.989 4.907 ( 0.014 -0.026 2.550) 2.551 4.930 ( 0.844 0.048 2.121) 2.283 4.969 ( -0.048 -0.578 -2.017) 2.099 5.639 ( -1.093 9.022 -3.831) 9.863 5.662 ( 1.455 5.870 -4.232) 7.381 6.348 ( -1.181 0.042 5.409) 5.536 6.377 ( 2.567 0.665 6.011) 6.570 6.401 ( 1.885 -1.233 7.829) 8.147 6.590 ( -3.514 -2.283 -4.907) 6.453 6.752 ( -0.062 -4.051 -2.980) 5.029 6.823 ( -0.545 -4.488 -6.907) 8.255 6.988 ( 2.714 -5.220 2.879) 6.550 7.070 ( 1.713 -3.207 3.409) 4.984 7.080 ( -1.977 -7.150 -4.976) 8.933 7.163 ( -0.262 -5.088 -3.011) 5.918 8.320 ( 0.609 -0.222 1.353) 1.500 8.374 ( -0.376 -0.736 -2.203) 2.353 8.591 ( 0.120 -0.813 1.965) 2.130 8.611 ( -1.506 -1.661 -0.252) 2.256 9.703 ( -0.037 -2.059 -3.506) 4.066 9.788 ( 3.689 -0.023 -5.827) 6.897 10.137 ( -2.801 -4.437 4.261) 6.760 10.286 ( 0.447 -7.969 -3.413) 8.681 11.558 ( -0.478 0.918 0.760) 1.284 11.639 ( 0.499 3.733 -2.709) 4.639 11.666 ( -1.716 3.214 2.340) 4.330 11.749 ( 1.987 3.846 -0.222) 4.334 12.347 ( -1.887 1.528 -1.900) 3.083 12.364 ( 2.286 1.914 -0.924) 3.122 12.518 ( -3.612 2.335 1.924) 4.712 12.610 ( 2.079 4.488 2.633) 5.603 12.647 ( 0.899 1.872 -0.922) 2.272 12.682 ( 0.677 2.946 -3.056) 4.298 12.936 ( 0.034 6.225 5.630) 8.393 13.070 ( 0.306 0.639 -2.648) 2.742 20.795 ( -2.177 0.281 3.814) 4.400 21.022 ( 3.520 1.472 -6.109) 7.203 21.127 ( 1.799 -3.065 1.786) 3.978 21.184 ( -4.496 -5.739 -1.664) 7.478 21.460 ( 0.126 2.707 -1.874) 3.295 21.553 ( 3.350 2.459 -5.620) 6.990 21.682 ( 0.612 6.019 1.433) 6.217 21.733 ( 1.209 7.392 0.011) 7.490 21.863 ( 6.567 2.693 8.754) 11.270 22.065 ( -4.886 -0.317 -10.574) 11.653 22.209 ( -3.603 -1.189 16.625) 17.053 22.717 ( 2.154 -6.045 -8.334) 10.518 22.818 ( -0.293 -0.442 1.038) 1.165 22.837 ( -0.551 0.079 -0.368) 0.667 22.860 ( -0.832 -1.365 1.082) 1.930 22.946 ( 1.639 -5.834 -3.376) 6.937 ======================= Grid point 89 (37/90) ======================= q-point: (-0.29 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.388 ( -4.126 12.842 4.481) 14.214 0.476 ( -8.107 6.410 -2.489) 10.631 0.616 ( 1.854 0.587 -0.310) 1.969 0.653 ( 1.130 -3.821 -2.139) 4.522 0.708 ( -2.504 6.484 -1.412) 7.093 0.775 ( 3.195 -2.543 0.285) 4.093 0.842 ( 0.079 4.452 -0.576) 4.490 0.901 ( 0.569 -0.349 1.032) 1.229 0.911 ( -3.822 4.893 -3.260) 7.013 0.966 ( 0.731 -1.581 2.213) 2.816 1.088 ( 0.966 -0.225 -3.688) 3.819 1.122 ( 0.953 3.715 4.322) 5.778 1.150 ( -1.512 2.160 -1.492) 3.029 1.191 ( -0.840 -0.304 -0.279) 0.935 1.233 ( -1.099 0.708 -0.041) 1.308 1.296 ( -0.927 3.445 -1.258) 3.782 1.312 ( -2.469 -0.247 0.619) 2.558 1.347 ( -1.011 1.545 0.929) 2.067 1.379 ( 0.896 0.792 0.023) 1.196 1.449 ( -0.195 -1.465 0.599) 1.594 1.495 ( -0.637 0.183 0.291) 0.723 1.522 ( 3.367 3.321 0.436) 4.749 1.613 ( -0.181 1.436 1.022) 1.772 1.649 ( -1.456 2.199 -0.634) 2.713 1.689 ( 0.471 0.233 -0.435) 0.682 1.733 ( 0.319 0.501 -0.068) 0.598 1.784 ( -2.766 -1.712 -1.735) 3.687 1.875 ( 4.399 1.993 0.445) 4.850 2.038 ( -1.053 -2.459 1.185) 2.926 2.116 ( 2.796 -2.245 0.306) 3.598 2.700 ( -2.843 -2.407 0.652) 3.782 2.778 ( -0.488 0.179 -0.959) 1.091 3.044 ( -1.082 -4.867 2.569) 5.609 3.089 ( 1.399 -7.003 4.555) 8.470 3.178 ( 0.128 -4.763 -4.511) 6.561 3.210 ( 0.205 -5.547 -3.882) 6.773 3.348 ( -4.843 1.117 -1.458) 5.180 3.364 ( -1.330 0.660 0.078) 1.487 3.578 ( 2.194 -3.125 2.402) 4.511 3.621 ( 1.200 2.198 1.309) 2.826 3.676 ( -0.975 -2.872 -3.420) 4.571 3.757 ( 3.071 1.485 6.603) 7.432 4.226 ( -0.820 -0.905 -1.652) 2.055 4.314 ( 1.513 -1.677 0.663) 2.353 4.893 ( 0.057 -0.658 1.638) 1.766 4.930 ( -0.192 -0.343 1.669) 1.715 4.950 ( 0.195 -0.433 -1.323) 1.406 4.960 ( 1.322 -0.174 -0.191) 1.347 5.625 ( 2.689 11.091 -1.331) 11.490 5.666 ( 2.270 7.115 0.199) 7.471 6.359 ( -1.489 0.868 1.062) 2.025 6.462 ( 1.594 -0.594 1.388) 2.196 6.491 ( -1.010 -1.852 -2.677) 3.409 6.532 ( 2.398 -1.028 7.185) 7.644 6.729 ( -0.915 -3.644 -0.633) 3.810 6.746 ( -0.760 -2.734 -3.774) 4.722 6.918 ( -5.830 -6.152 -7.081) 11.045 7.059 ( 1.074 -6.152 0.590) 6.273 7.103 ( -0.131 -3.559 0.107) 3.563 7.207 ( 4.687 -7.356 1.878) 8.922 8.336 ( -0.291 -1.003 -0.267) 1.078 8.354 ( 0.353 -1.280 -0.225) 1.347 8.564 ( -2.252 -0.429 -0.482) 2.342 8.624 ( -0.102 -1.132 2.137) 2.421 9.651 ( -1.782 -1.930 -4.057) 4.833 9.800 ( 4.788 0.560 -5.044) 6.977 10.122 ( -3.949 -5.288 3.731) 7.582 10.261 ( 0.009 -5.710 -1.874) 6.010 11.564 ( -0.548 1.226 2.052) 2.452 11.630 ( 1.447 3.509 -1.911) 4.250 11.660 ( -1.060 3.721 1.126) 4.029 11.779 ( 2.069 3.177 -0.603) 3.839 12.323 ( 0.592 2.528 -0.722) 2.695 12.412 ( 3.155 3.926 1.331) 5.210 12.480 ( -2.172 2.716 1.268) 3.702 12.603 ( -1.720 2.111 -0.323) 2.742 12.671 ( 0.960 1.482 -2.067) 2.719 12.716 ( 3.267 3.995 2.462) 5.718 12.982 ( 0.867 1.300 0.925) 1.816 13.086 ( 3.756 5.392 2.094) 6.897 20.788 ( -3.322 1.504 3.807) 5.272 20.956 ( -2.949 -4.599 -10.832) 12.132 21.090 ( -2.302 -2.636 -0.568) 3.546 21.207 ( 2.130 -0.679 4.467) 4.995 21.448 ( 0.869 1.677 -1.289) 2.287 21.553 ( 3.795 2.980 -6.403) 8.018 21.705 ( 0.372 4.415 0.923) 4.526 21.744 ( 0.972 7.642 -1.348) 7.820 21.867 ( -3.811 4.610 -10.285) 11.898 22.026 ( 1.789 -1.065 5.910) 6.266 22.407 ( 4.356 0.094 20.203) 20.667 22.697 ( 5.710 -8.107 -6.742) 11.991 22.818 ( -1.400 -1.461 0.161) 2.030 22.830 ( 0.673 -1.205 0.580) 1.497 22.852 ( -0.525 -1.450 0.201) 1.555 22.972 ( 4.219 -0.274 -0.692) 4.284 ======================= Grid point 90 (38/90) ======================= q-point: (-0.14 0.10 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( -5.271 15.153 -7.893) 17.880 0.335 ( -10.784 5.997 2.099) 12.517 0.604 ( -2.303 -0.815 -0.986) 2.634 0.650 ( 2.689 2.672 -2.987) 4.826 0.720 ( 1.161 8.528 9.750) 13.005 0.811 ( -1.382 2.527 -2.012) 3.513 0.846 ( 3.017 -1.494 1.503) 3.687 0.879 ( 0.494 1.194 -0.797) 1.518 0.947 ( 3.130 1.509 1.082) 3.639 0.992 ( -1.005 0.282 2.885) 3.068 1.050 ( 1.354 1.727 -6.361) 6.729 1.121 ( -0.762 -0.213 -0.512) 0.942 1.155 ( -0.869 2.435 1.248) 2.871 1.185 ( -1.167 0.454 2.293) 2.613 1.222 ( -0.157 -0.496 0.884) 1.025 1.240 ( -2.777 1.709 -0.132) 3.263 1.303 ( -1.290 0.717 1.283) 1.956 1.346 ( 0.014 5.379 -0.086) 5.380 1.401 ( 1.295 -1.067 -1.586) 2.309 1.447 ( 0.159 -1.414 0.691) 1.582 1.487 ( -0.897 -1.385 1.093) 1.980 1.581 ( 2.801 1.832 -0.935) 3.475 1.610 ( -1.348 2.037 -1.960) 3.132 1.624 ( -0.063 2.688 1.037) 2.882 1.692 ( 0.741 0.835 -0.905) 1.438 1.715 ( -0.868 -1.927 -1.583) 2.641 1.737 ( -1.650 -0.580 0.437) 1.803 1.946 ( 2.393 0.831 1.832) 3.127 2.027 ( -1.353 -0.861 1.074) 1.931 2.142 ( 3.012 -1.572 -6.649) 7.466 2.671 ( -0.977 -0.658 0.825) 1.438 2.760 ( -0.305 0.559 -1.144) 1.310 2.956 ( -6.963 -6.038 -8.357) 12.441 3.041 ( -1.939 -1.012 -2.289) 3.166 3.199 ( -0.345 -2.176 3.128) 3.826 3.250 ( 1.192 -7.293 5.688) 9.326 3.281 ( -0.800 0.043 -2.134) 2.279 3.323 ( -4.124 0.501 3.090) 5.178 3.599 ( -0.825 -1.140 -1.899) 2.363 3.636 ( 1.282 -0.656 0.652) 1.581 3.700 ( 2.707 -3.586 4.480) 6.345 3.869 ( -0.518 -3.926 9.014) 9.846 4.235 ( 2.321 3.011 -0.234) 3.809 4.341 ( 0.433 -1.713 2.099) 2.743 4.892 ( 0.176 -0.823 -2.236) 2.389 4.926 ( -0.568 -0.908 0.152) 1.082 4.950 ( 0.140 -0.179 -0.153) 0.274 4.966 ( 0.888 0.075 -2.414) 2.574 5.643 ( 2.078 8.765 -3.284) 9.587 5.772 ( 5.247 3.225 4.536) 7.649 6.324 ( -0.581 2.334 -4.340) 4.962 6.436 ( 0.107 -0.683 -3.880) 3.941 6.468 ( 0.763 0.255 -4.500) 4.571 6.649 ( 1.215 -1.681 3.253) 3.859 6.689 ( -2.552 -3.953 0.397) 4.722 6.740 ( -1.947 -1.710 4.840) 5.490 6.817 ( 1.293 -4.956 3.333) 6.111 7.064 ( 0.474 -4.608 -1.625) 4.909 7.113 ( 0.134 -5.072 1.613) 5.324 7.276 ( 1.599 -9.155 0.505) 9.308 8.326 ( 1.016 -0.889 -1.696) 2.168 8.352 ( -1.756 -2.063 0.202) 2.716 8.533 ( -1.096 -0.128 0.154) 1.114 8.628 ( -1.436 -1.858 0.776) 2.473 9.626 ( 0.732 -0.730 6.327) 6.410 9.850 ( 5.908 0.003 -1.161) 6.021 10.091 ( -4.165 -5.856 3.170) 7.854 10.240 ( -0.091 -4.247 -3.042) 5.225 11.582 ( -0.536 1.205 2.851) 3.141 11.638 ( 0.033 1.391 0.036) 1.392 11.665 ( 1.735 4.427 -0.451) 4.776 11.799 ( 1.485 2.610 -1.203) 3.235 12.340 ( 1.214 3.640 0.317) 3.850 12.442 ( 0.715 6.093 -0.735) 6.179 12.523 ( 2.705 3.380 3.059) 5.301 12.578 ( -0.574 2.578 -0.500) 2.688 12.661 ( 0.012 -0.474 -1.129) 1.225 12.758 ( -1.306 3.250 2.360) 4.224 13.006 ( 4.196 -1.820 -2.468) 5.197 13.215 ( 6.086 3.441 0.713) 7.027 20.727 ( -6.536 -1.839 -2.978) 7.414 20.795 ( -2.308 3.437 -0.979) 4.254 21.095 ( 0.900 -0.530 2.448) 2.662 21.269 ( -0.699 1.458 4.239) 4.537 21.476 ( 2.594 -0.243 0.290) 2.621 21.548 ( 4.506 5.464 -5.385) 8.897 21.692 ( -1.001 0.226 -1.922) 2.179 21.739 ( 0.190 8.276 -0.928) 8.330 21.773 ( 1.321 11.323 -5.284) 12.565 22.039 ( -2.558 -4.517 -0.230) 5.196 22.667 ( 4.114 -3.303 10.419) 11.679 22.748 ( 1.800 -5.535 0.774) 5.872 22.803 ( -0.517 -2.551 0.650) 2.683 22.849 ( 0.212 -1.930 0.444) 1.992 22.880 ( 5.699 -8.593 -0.034) 10.311 23.089 ( 8.703 -1.495 2.391) 9.148 ======================= Grid point 91 (39/90) ======================= q-point: ( 0.00 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.394 ( -2.310 2.560 -3.352) 4.808 0.419 ( -1.669 7.642 3.687) 8.647 0.520 ( 0.889 12.170 -9.540) 15.489 0.670 ( 4.186 -1.165 -0.192) 4.349 0.807 ( -0.890 0.632 -1.659) 1.986 0.815 ( -1.528 2.284 -3.187) 4.208 0.859 ( 0.737 0.441 -2.291) 2.447 0.977 ( -0.512 -0.262 -2.264) 2.336 0.997 ( -3.355 1.699 0.642) 3.815 1.065 ( 3.803 1.198 -0.743) 4.056 1.124 ( -0.107 1.492 -0.864) 1.727 1.164 ( 1.957 1.760 1.727) 3.148 1.178 ( -0.869 2.361 -1.736) 3.056 1.199 ( -0.635 3.657 3.105) 4.840 1.238 ( -0.036 0.587 1.318) 1.443 1.286 ( -0.470 0.684 -0.683) 1.075 1.310 ( -0.193 5.468 -0.268) 5.478 1.376 ( 0.697 0.362 -0.821) 1.136 1.417 ( 2.274 -0.311 2.241) 3.208 1.497 ( -2.429 2.060 1.704) 3.612 1.518 ( -0.486 5.631 6.209) 8.396 1.575 ( -1.753 -0.174 -1.218) 2.141 1.583 ( 1.380 -1.261 -0.263) 1.888 1.649 ( -0.223 0.046 0.091) 0.245 1.683 ( -1.769 1.039 -1.309) 2.434 1.713 ( 1.422 0.975 -1.428) 2.239 1.752 ( 1.289 1.026 1.523) 2.244 1.988 ( 0.213 -1.191 -0.765) 1.432 2.025 ( -0.928 -0.712 -1.693) 2.058 2.056 ( 0.457 1.940 -0.525) 2.061 2.666 ( -0.263 -0.303 1.346) 1.404 2.770 ( 0.633 1.052 -1.809) 2.186 2.880 ( 0.590 0.909 2.194) 2.447 2.987 ( -1.331 -1.889 -1.618) 2.821 3.155 ( 0.545 -2.431 -1.890) 3.127 3.164 ( 2.041 -5.638 1.823) 6.268 3.267 ( -1.111 0.347 4.363) 4.515 3.328 ( -0.320 0.327 0.682) 0.821 3.534 ( -0.240 -4.914 0.366) 4.934 3.618 ( 0.611 -1.703 -2.334) 2.953 3.700 ( -1.296 -3.420 7.847) 8.657 3.908 ( -0.572 -0.294 0.419) 0.768 4.298 ( -0.316 0.276 1.866) 1.913 4.352 ( 1.014 -0.909 1.475) 2.008 4.839 ( -0.060 -1.089 -4.339) 4.474 4.907 ( -1.004 -0.775 -2.665) 2.951 4.920 ( -0.253 -1.045 -2.540) 2.758 4.952 ( 0.849 0.095 -0.437) 0.959 5.784 ( 0.261 5.163 1.606) 5.413 5.833 ( -0.591 3.626 1.505) 3.970 6.330 ( -0.654 2.494 -2.885) 3.869 6.395 ( 0.195 0.496 -3.694) 3.732 6.461 ( 1.365 0.281 -2.630) 2.976 6.496 ( -3.894 -0.767 -3.902) 5.565 6.687 ( 1.314 -4.912 4.875) 7.044 6.715 ( -0.655 -6.032 4.419) 7.506 6.772 ( 2.734 -7.363 2.904) 8.374 6.920 ( 0.556 -9.343 -2.256) 9.628 6.986 ( -1.101 -9.131 2.758) 9.602 7.075 ( 0.568 -11.591 -0.607) 11.621 8.325 ( -0.132 1.184 -0.514) 1.297 8.339 ( 1.069 0.596 -0.636) 1.379 8.515 ( 0.003 -1.420 0.525) 1.514 8.556 ( -0.909 -2.844 -0.313) 3.002 9.680 ( 0.763 -2.507 6.646) 7.144 9.871 ( 3.504 -4.522 -0.141) 5.722 9.928 ( -1.886 -7.153 1.698) 7.590 10.089 ( -0.523 -6.609 -4.397) 7.955 11.640 ( -1.222 2.432 4.187) 4.994 11.670 ( -0.437 2.197 0.282) 2.258 11.747 ( 1.131 3.801 -2.068) 4.473 11.847 ( 0.756 2.437 -2.766) 3.763 12.458 ( 0.127 4.935 2.354) 5.469 12.533 ( -0.820 3.052 2.031) 3.757 12.610 ( 0.550 3.147 -1.246) 3.429 12.623 ( -2.443 2.778 -2.188) 4.298 12.737 ( 4.665 3.870 2.421) 6.527 12.796 ( -4.468 4.346 1.192) 6.346 13.026 ( 2.979 -2.333 1.353) 4.018 13.209 ( -2.235 1.543 -6.117) 6.693 20.696 ( 1.036 0.405 2.433) 2.675 20.842 ( 0.141 2.752 -3.180) 4.208 21.126 ( 2.081 -3.656 5.750) 7.124 21.295 ( -4.038 1.078 1.472) 4.431 21.528 ( 0.802 1.097 -0.161) 1.369 21.604 ( 2.340 -2.290 -2.321) 4.013 21.714 ( 0.509 2.914 1.656) 3.390 21.891 ( -1.086 7.362 -3.025) 8.033 21.909 ( 1.026 4.669 0.881) 4.861 21.957 ( -0.761 2.682 3.560) 4.522 22.548 ( -0.969 -17.259 0.756) 17.303 22.623 ( -0.431 -9.423 0.130) 9.433 22.770 ( 1.588 -1.849 0.420) 2.473 22.793 ( -0.349 -0.207 -1.220) 1.286 22.839 ( 0.180 -0.967 1.175) 1.532 23.004 ( -1.647 -3.388 -7.735) 8.603 ======================= Grid point 92 (40/90) ======================= q-point: ( 0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.350 ( 0.918 5.125 -0.985) 5.299 0.432 ( 1.989 6.138 -1.726) 6.679 0.513 ( 3.152 7.965 -0.437) 8.577 0.720 ( 3.759 3.008 -7.036) 8.525 0.751 ( -1.338 0.389 0.809) 1.612 0.787 ( -0.061 1.741 1.968) 2.629 0.864 ( 0.031 0.338 0.228) 0.409 0.904 ( -2.925 0.981 -3.036) 4.328 0.971 ( -2.120 0.604 1.093) 2.460 1.091 ( -1.257 2.376 -0.977) 2.860 1.111 ( 0.247 0.745 -1.722) 1.892 1.143 ( -0.021 -0.750 -0.048) 0.752 1.217 ( 1.225 0.795 1.874) 2.376 1.232 ( 0.526 2.093 2.506) 3.307 1.251 ( -0.092 2.424 0.710) 2.528 1.275 ( 0.877 1.668 -2.118) 2.835 1.313 ( 1.916 0.743 -0.838) 2.220 1.372 ( 1.363 0.907 -2.108) 2.669 1.469 ( -2.494 2.085 2.025) 3.829 1.477 ( -0.074 0.016 1.029) 1.032 1.531 ( -0.600 0.175 -1.540) 1.662 1.567 ( -0.506 2.653 4.295) 5.073 1.612 ( 2.337 0.724 -0.418) 2.482 1.639 ( -2.077 0.701 -0.199) 2.201 1.667 ( 1.005 3.148 1.809) 3.767 1.717 ( 1.835 1.011 -2.049) 2.930 1.820 ( 1.979 0.778 5.259) 5.673 1.935 ( -0.230 1.056 -6.918) 7.002 2.010 ( -1.783 -0.154 1.396) 2.270 2.053 ( -0.671 2.338 0.060) 2.433 2.683 ( -0.009 0.120 2.101) 2.104 2.759 ( 0.630 0.691 -2.146) 2.341 2.892 ( -2.259 -1.622 0.799) 2.893 2.963 ( 0.589 1.651 -1.231) 2.142 3.116 ( -1.125 -5.940 -0.541) 6.070 3.229 ( 5.265 0.448 -1.631) 5.530 3.326 ( 1.300 -2.476 1.673) 3.258 3.344 ( 1.633 -0.985 2.112) 2.846 3.511 ( -2.993 -4.027 0.268) 5.024 3.613 ( 1.368 -2.980 -1.421) 3.574 3.743 ( -4.111 -3.796 7.440) 9.309 3.873 ( -2.740 -1.308 -1.152) 3.247 4.319 ( -0.696 -0.227 3.086) 3.172 4.363 ( -0.451 -0.610 0.422) 0.868 4.801 ( -0.302 -1.033 -2.161) 2.415 4.833 ( -0.988 -1.816 -5.479) 5.856 4.911 ( -0.636 -0.331 0.577) 0.920 4.965 ( 1.188 -0.061 -0.551) 1.311 5.809 ( -0.099 4.682 2.485) 5.301 5.830 ( -0.516 5.507 0.178) 5.534 6.300 ( -1.043 2.789 -0.074) 2.978 6.353 ( -0.757 2.482 -3.645) 4.474 6.404 ( -3.418 1.790 -2.217) 4.450 6.477 ( 2.517 -1.491 -0.053) 2.926 6.715 ( -1.624 -6.073 1.253) 6.410 6.755 ( 0.986 -8.150 2.778) 8.666 6.847 ( 2.420 -8.445 2.117) 9.037 6.908 ( 2.009 -8.500 -3.160) 9.289 6.998 ( -1.215 -9.724 3.052) 10.264 7.065 ( -0.652 -9.894 -1.289) 9.999 8.311 ( -0.282 1.343 -0.872) 1.626 8.362 ( 1.901 0.134 -0.305) 1.930 8.524 ( -0.006 -2.082 0.442) 2.128 8.547 ( 0.335 -2.339 0.138) 2.367 9.747 ( -0.675 -3.561 4.932) 6.120 9.869 ( -0.021 -5.402 -3.585) 6.484 9.941 ( -0.582 -4.595 1.942) 5.023 10.062 ( 2.438 -9.312 -2.335) 9.905 11.641 ( -2.051 3.137 1.381) 3.995 11.680 ( -0.046 2.627 2.388) 3.551 11.750 ( 0.866 3.186 -0.804) 3.398 11.825 ( 0.564 2.292 -3.357) 4.104 12.472 ( -1.507 4.556 2.771) 5.541 12.516 ( -2.435 4.669 -1.160) 5.393 12.582 ( -1.349 2.378 2.092) 3.442 12.627 ( 2.152 2.898 -0.330) 3.625 12.719 ( -4.020 1.932 -1.053) 4.583 12.841 ( 3.712 5.165 2.878) 6.982 13.027 ( -4.463 1.089 -1.568) 4.854 13.132 ( 0.534 2.226 -2.002) 3.041 20.729 ( 0.080 1.772 0.353) 1.808 20.856 ( 5.484 -1.139 -2.165) 6.005 21.175 ( -4.250 -2.738 1.162) 5.188 21.274 ( 0.708 -1.921 5.796) 6.147 21.476 ( -3.632 -1.070 -2.857) 4.743 21.630 ( 2.889 -0.505 -2.323) 3.741 21.761 ( 1.277 7.430 4.813) 8.944 21.845 ( -0.233 5.683 -4.368) 7.172 21.921 ( -1.663 4.766 -0.203) 5.052 21.992 ( 2.363 8.254 1.335) 8.689 22.453 ( -10.004 -12.110 1.113) 15.747 22.641 ( 0.188 -18.304 1.835) 18.397 22.776 ( -0.085 -0.654 -1.111) 1.292 22.797 ( 1.488 -1.755 -0.435) 2.342 22.857 ( -0.091 -1.174 2.205) 2.500 22.896 ( -2.278 -0.988 -4.773) 5.380 ======================= Grid point 93 (41/90) ======================= q-point: ( 0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.409 ( 3.921 2.702 3.188) 5.730 0.474 ( 3.744 5.130 0.757) 6.396 0.550 ( 1.694 3.959 -0.495) 4.334 0.688 ( 2.758 3.060 -5.737) 7.063 0.733 ( -1.898 0.165 -1.878) 2.675 0.843 ( 1.712 2.389 3.631) 4.672 0.855 ( -0.372 0.074 -0.817) 0.901 0.882 ( 0.427 0.062 2.649) 2.684 0.937 ( -3.176 2.191 0.189) 3.863 1.045 ( -1.908 2.801 -1.306) 3.632 1.090 ( -0.835 0.046 0.989) 1.295 1.161 ( 0.623 -0.525 -2.631) 2.755 1.210 ( -1.059 0.644 0.959) 1.567 1.245 ( -0.871 1.191 1.033) 1.801 1.280 ( 1.851 1.680 0.182) 2.506 1.290 ( 2.155 2.848 0.864) 3.675 1.339 ( 2.041 -1.273 -0.965) 2.592 1.386 ( 1.938 1.523 -0.968) 2.649 1.434 ( -2.315 -1.090 -2.204) 3.377 1.456 ( -1.434 0.879 2.522) 3.031 1.522 ( -2.198 2.298 1.857) 3.682 1.582 ( -0.465 2.031 -0.469) 2.136 1.628 ( 1.165 1.464 -0.018) 1.871 1.645 ( 1.448 -0.176 0.006) 1.459 1.703 ( 0.676 3.838 2.073) 4.414 1.738 ( 2.279 0.824 -0.714) 2.526 1.874 ( 1.796 3.915 -6.789) 8.040 1.900 ( 1.258 -0.167 4.625) 4.796 1.976 ( -2.965 0.397 -0.777) 3.090 2.040 ( -1.254 1.227 0.483) 1.819 2.704 ( 0.165 0.076 1.634) 1.645 2.752 ( 1.215 -0.035 -1.742) 2.124 2.847 ( -2.659 -3.515 -0.418) 4.427 2.959 ( -0.229 4.182 0.095) 4.189 3.115 ( -0.063 -8.628 0.576) 8.648 3.294 ( 4.508 -0.449 -1.464) 4.761 3.345 ( 1.584 -1.291 -2.235) 3.028 3.385 ( 0.143 -1.381 1.058) 1.745 3.479 ( -0.617 -2.071 1.796) 2.810 3.625 ( 1.416 -4.283 -0.956) 4.611 3.698 ( -6.329 -2.496 1.660) 7.003 3.822 ( -3.806 -1.299 1.391) 4.256 4.313 ( -0.810 0.337 -1.891) 2.085 4.355 ( -0.872 -1.722 -0.546) 2.006 4.777 ( -0.249 -0.838 -0.378) 0.952 4.811 ( -0.148 -1.352 2.549) 2.889 4.908 ( -0.530 -0.266 0.682) 0.904 4.975 ( 1.080 -0.119 -1.012) 1.485 5.807 ( -0.563 5.440 -0.818) 5.530 5.836 ( -0.382 5.114 0.924) 5.211 6.295 ( -1.007 2.179 2.058) 3.162 6.312 ( -0.563 3.713 -1.045) 3.899 6.350 ( -2.191 2.812 0.959) 3.691 6.534 ( 3.200 -4.303 1.621) 5.602 6.679 ( -2.623 -7.147 -1.193) 7.706 6.780 ( 0.051 -8.572 -0.032) 8.572 6.873 ( 2.200 -4.373 -2.471) 5.484 6.936 ( 2.387 -7.502 -0.223) 7.876 7.006 ( -0.981 -11.140 1.903) 11.344 7.031 ( -1.354 -9.226 -1.906) 9.518 8.303 ( 0.372 0.959 -0.789) 1.297 8.386 ( 1.391 -0.326 -0.620) 1.557 8.526 ( 0.307 -1.936 0.122) 1.964 8.563 ( 0.273 -2.433 1.228) 2.739 9.749 ( -1.337 -1.785 -0.251) 2.244 9.813 ( -1.335 -4.470 -4.232) 6.298 9.974 ( 1.475 -4.923 2.924) 5.913 10.089 ( 1.848 -10.998 -0.790) 11.180 11.619 ( -1.493 3.208 0.242) 3.546 11.701 ( -0.894 2.875 2.765) 4.087 11.751 ( 0.616 3.207 -1.277) 3.506 11.807 ( 0.826 2.901 -1.949) 3.592 12.449 ( -2.332 4.496 -0.886) 5.141 12.491 ( -0.585 4.904 1.697) 5.222 12.589 ( -1.702 1.634 3.357) 4.104 12.638 ( -3.469 1.734 -2.135) 4.427 12.665 ( 1.934 2.968 0.356) 3.560 12.910 ( -0.487 2.977 -3.303) 4.473 12.934 ( 0.086 7.313 1.605) 7.487 13.132 ( -1.142 0.804 0.991) 1.712 20.739 ( 1.628 1.948 0.329) 2.560 20.928 ( 4.863 -1.991 -2.003) 5.624 21.098 ( -3.153 -4.288 -0.803) 5.382 21.315 ( -5.218 0.484 2.143) 5.661 21.422 ( 1.551 -3.664 0.293) 3.989 21.646 ( 2.064 0.911 -1.945) 2.979 21.788 ( -0.539 5.966 -4.671) 7.596 21.843 ( 0.584 8.171 3.839) 9.046 21.870 ( -1.228 9.135 -0.422) 9.227 22.045 ( 2.535 6.899 1.351) 7.473 22.297 ( -10.172 -11.247 1.248) 15.216 22.641 ( -1.731 -19.105 -0.124) 19.183 22.773 ( 0.916 -0.601 -0.359) 1.153 22.809 ( 0.894 -1.128 -0.985) 1.744 22.845 ( -0.647 -0.441 -0.851) 1.157 22.872 ( -1.330 -1.493 2.514) 3.212 ======================= Grid point 94 (42/90) ======================= q-point: ( 0.43 0.20 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.485 ( 2.213 -3.694 0.906) 4.400 0.548 ( -1.908 1.598 0.878) 2.638 0.569 ( 2.747 6.438 4.056) 8.090 0.666 ( 2.745 4.878 -2.429) 6.102 0.749 ( 4.395 -0.315 0.101) 4.407 0.818 ( -1.681 0.736 -2.949) 3.474 0.875 ( -4.263 3.324 0.156) 5.408 0.899 ( 1.063 0.668 2.134) 2.476 0.917 ( 0.225 -0.844 1.440) 1.684 1.016 ( -2.356 2.604 -0.057) 3.512 1.083 ( -1.382 0.515 -1.396) 2.031 1.119 ( 1.567 1.727 -0.731) 2.444 1.227 ( -0.114 0.695 0.850) 1.104 1.259 ( 0.281 1.024 2.755) 2.952 1.296 ( 0.544 0.758 -0.669) 1.148 1.332 ( 1.245 0.481 -0.455) 1.410 1.355 ( 1.241 -0.900 -0.917) 1.786 1.394 ( -0.220 0.323 1.696) 1.741 1.405 ( 0.654 1.218 -0.769) 1.582 1.474 ( -0.129 0.136 2.352) 2.359 1.503 ( -2.678 3.572 2.956) 5.354 1.570 ( 0.189 2.174 -0.689) 2.288 1.627 ( 0.288 4.507 -2.723) 5.274 1.666 ( 0.107 -1.163 1.357) 1.790 1.721 ( -0.227 2.623 0.336) 2.654 1.766 ( 1.308 1.233 -0.009) 1.798 1.862 ( 4.080 5.628 -5.029) 8.580 1.902 ( -3.735 0.742 -2.552) 4.584 1.947 ( 0.468 -2.725 2.106) 3.476 2.025 ( -0.967 -0.432 0.168) 1.072 2.714 ( -0.595 -0.107 0.558) 0.823 2.764 ( 2.138 -1.071 -1.702) 2.935 2.820 ( -1.423 -4.050 2.687) 5.065 2.973 ( 0.715 3.881 1.872) 4.368 3.098 ( -0.941 -8.454 -2.262) 8.802 3.304 ( 0.520 -5.258 -7.401) 9.094 3.359 ( 3.082 -1.938 0.792) 3.726 3.380 ( -1.421 0.019 1.229) 1.879 3.514 ( -0.372 1.157 2.844) 3.093 3.607 ( -2.714 -3.144 -0.305) 4.165 3.660 ( 1.714 -2.421 0.633) 3.033 3.770 ( -3.823 -0.060 0.657) 3.880 4.272 ( -0.152 0.278 -4.057) 4.069 4.315 ( -1.143 -1.787 -3.401) 4.008 4.804 ( 0.801 0.014 3.919) 4.000 4.853 ( 0.053 -1.430 5.135) 5.330 4.910 ( -0.283 -0.060 1.078) 1.116 4.977 ( 0.642 0.009 -1.541) 1.669 5.790 ( -0.353 5.449 -1.175) 5.586 5.822 ( -0.797 6.115 -1.278) 6.298 6.304 ( -0.822 -0.075 3.208) 3.312 6.331 ( 1.264 3.453 3.393) 5.004 6.354 ( -0.589 2.949 3.706) 4.772 6.596 ( 0.638 -5.070 0.819) 5.175 6.619 ( -0.996 -7.556 -1.825) 7.837 6.761 ( -0.187 -7.693 -3.033) 8.272 6.881 ( 1.840 -2.563 -2.647) 4.118 6.954 ( 0.013 -6.673 -0.392) 6.684 6.986 ( -1.179 -9.257 -2.310) 9.613 7.009 ( 0.153 -11.319 0.059) 11.320 8.308 ( 0.859 0.660 -0.147) 1.093 8.386 ( 0.189 -0.567 -1.818) 1.914 8.542 ( 0.750 -1.906 1.285) 2.418 8.573 ( -0.632 -2.314 1.180) 2.673 9.716 ( -0.958 -0.962 -2.332) 2.699 9.764 ( 0.981 -3.127 -4.149) 5.287 10.022 ( -0.127 -5.783 3.463) 6.742 10.099 ( 0.845 -10.946 -1.126) 11.036 11.601 ( -1.043 2.954 0.319) 3.149 11.699 ( -0.915 2.097 0.035) 2.288 11.756 ( 0.536 4.378 0.378) 4.427 11.810 ( 1.081 3.598 -0.740) 3.829 12.414 ( -0.479 4.378 -1.051) 4.528 12.473 ( -2.509 4.359 -1.621) 5.285 12.582 ( -2.492 2.103 2.590) 4.165 12.616 ( 1.121 2.224 2.220) 3.337 12.686 ( 0.631 2.424 -0.409) 2.538 12.827 ( -1.030 4.535 -5.834) 7.460 13.003 ( 2.019 6.476 3.635) 7.696 13.114 ( -1.563 1.621 0.314) 2.274 20.783 ( 1.191 1.770 2.577) 3.345 20.972 ( 3.506 -2.653 -0.170) 4.400 21.073 ( 0.753 -3.769 -2.473) 4.570 21.210 ( -5.852 -0.950 -2.104) 6.290 21.465 ( 0.635 -1.465 2.059) 2.605 21.662 ( 3.116 2.031 -3.873) 5.369 21.741 ( 0.181 4.694 -2.402) 5.276 21.807 ( -2.396 6.605 -0.267) 7.032 21.923 ( 0.825 7.954 3.318) 8.658 22.123 ( 3.310 4.902 5.341) 7.970 22.160 ( -7.098 -5.991 -0.753) 9.319 22.582 ( -2.151 -16.251 -4.703) 17.055 22.797 ( 1.451 -1.776 0.829) 2.439 22.810 ( 0.176 -0.374 -0.034) 0.414 22.846 ( 0.679 -0.609 0.290) 0.957 22.863 ( -2.117 -1.328 1.244) 2.791 ======================= Grid point 95 (43/90) ======================= q-point: (-0.43 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.494 ( -4.147 -2.343 1.270) 4.929 0.517 ( 0.928 -3.972 1.399) 4.312 0.646 ( 2.229 7.262 3.735) 8.465 0.722 ( -0.413 2.607 -3.726) 4.566 0.770 ( 2.588 4.615 0.844) 5.358 0.810 ( -1.712 4.218 -1.565) 4.814 0.836 ( 2.257 -0.186 1.989) 3.014 0.888 ( -2.540 1.257 -1.209) 3.081 0.926 ( -0.100 -0.384 1.353) 1.410 0.967 ( 1.355 -0.687 -1.891) 2.426 1.114 ( 1.690 2.766 3.366) 4.673 1.149 ( 1.423 0.513 0.630) 1.639 1.214 ( -1.523 0.735 -0.944) 1.936 1.275 ( -1.256 0.766 -0.210) 1.486 1.289 ( 0.779 0.249 -1.118) 1.385 1.317 ( -1.198 0.288 -0.503) 1.330 1.384 ( 1.143 -1.304 0.669) 1.859 1.395 ( -1.175 2.834 0.369) 3.090 1.415 ( -0.855 2.416 1.635) 3.040 1.473 ( -1.161 5.699 -2.093) 6.181 1.510 ( 0.500 0.784 2.439) 2.610 1.585 ( 0.070 5.490 3.098) 6.304 1.593 ( -1.201 1.140 -1.076) 1.975 1.679 ( -0.071 -0.663 0.950) 1.161 1.699 ( -2.027 1.395 -0.490) 2.509 1.770 ( -0.199 0.409 -1.133) 1.221 1.821 ( -2.612 0.493 -2.196) 3.448 1.892 ( 4.216 5.125 -3.039) 7.299 1.972 ( 0.908 -3.555 1.196) 3.859 2.016 ( 0.558 -2.245 -0.845) 2.463 2.698 ( -1.707 -0.555 0.425) 1.844 2.774 ( 1.350 -0.649 -1.643) 2.223 2.864 ( 1.238 -4.641 5.358) 7.196 2.989 ( -0.692 -1.711 -1.236) 2.221 3.081 ( 1.804 -3.974 0.432) 4.386 3.208 ( -1.149 -4.950 -9.268) 10.570 3.366 ( -1.407 -0.901 0.427) 1.724 3.416 ( 1.167 -2.553 1.408) 3.140 3.495 ( -3.484 1.447 2.782) 4.688 3.593 ( -0.330 -3.191 0.833) 3.315 3.708 ( -0.778 -3.078 0.474) 3.210 3.732 ( 3.022 3.518 -0.842) 4.714 4.233 ( -0.098 -0.240 -2.455) 2.469 4.276 ( 1.082 -0.899 -3.271) 3.561 4.859 ( 0.538 0.102 3.874) 3.913 4.903 ( 0.250 -0.666 3.335) 3.410 4.925 ( 0.468 -0.285 1.974) 2.049 4.964 ( 0.176 0.244 -2.049) 2.071 5.770 ( -0.697 5.114 -0.738) 5.214 5.802 ( 0.282 7.018 -1.258) 7.135 6.338 ( -0.191 -1.799 4.789) 5.119 6.393 ( 0.583 1.277 3.747) 4.001 6.407 ( 2.082 2.070 5.012) 5.809 6.534 ( -2.258 -3.125 -3.320) 5.088 6.642 ( 1.167 -6.736 -0.539) 6.858 6.719 ( -0.327 -5.801 -4.055) 7.085 6.885 ( -0.056 -5.069 -0.264) 5.076 6.901 ( -2.240 -9.712 -3.562) 10.584 6.981 ( 0.719 -6.966 0.283) 7.009 7.011 ( 1.226 -9.392 -1.555) 9.599 8.325 ( 0.852 0.528 0.518) 1.129 8.360 ( -0.445 -0.266 -2.360) 2.416 8.563 ( -0.983 -2.953 0.846) 3.225 8.572 ( -0.086 -1.245 1.604) 2.032 9.673 ( -1.433 -1.144 -2.287) 2.931 9.757 ( 3.072 -2.610 -4.108) 5.755 10.030 ( -2.574 -6.137 2.364) 7.062 10.105 ( 1.145 -9.755 -0.347) 9.828 11.593 ( -0.786 2.471 0.995) 2.777 11.684 ( -0.152 1.877 -1.062) 2.162 11.765 ( -0.134 5.304 0.523) 5.331 11.826 ( 1.624 3.654 -0.540) 4.035 12.407 ( -0.752 4.464 -0.919) 4.619 12.429 ( 1.628 4.526 -0.928) 4.899 12.567 ( -2.880 2.584 2.579) 4.650 12.672 ( 0.023 2.654 0.979) 2.829 12.690 ( 2.245 1.850 1.396) 3.227 12.765 ( 0.946 4.371 -5.654) 7.208 13.042 ( -2.175 3.629 2.218) 4.777 13.116 ( 2.783 4.471 0.252) 5.272 20.814 ( -1.385 1.689 4.105) 4.650 21.025 ( -0.985 -2.556 -6.539) 7.089 21.068 ( 4.681 -2.797 4.149) 6.853 21.105 ( -3.424 -1.713 -3.138) 4.950 21.484 ( -0.283 0.142 1.512) 1.545 21.638 ( 1.905 5.161 -7.141) 9.014 21.768 ( -2.953 1.337 0.542) 3.287 21.776 ( 3.239 0.526 1.680) 3.687 21.963 ( -1.085 0.715 3.257) 3.506 22.069 ( -0.951 4.484 -1.392) 4.791 22.238 ( 2.322 3.573 6.541) 7.807 22.505 ( 1.405 -13.127 -6.838) 14.868 22.813 ( -0.274 -0.265 0.930) 1.005 22.824 ( 0.569 -1.234 0.230) 1.378 22.834 ( -2.073 -1.055 -0.083) 2.328 22.878 ( 2.826 -1.190 1.027) 3.233 ======================= Grid point 96 (44/90) ======================= q-point: (-0.29 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.463 ( -1.745 -3.774 1.823) 4.540 0.536 ( -2.832 1.169 2.532) 3.974 0.649 ( -0.906 -0.117 -4.822) 4.908 0.699 ( -0.042 7.193 0.360) 7.202 0.730 ( -1.929 3.752 -1.528) 4.487 0.808 ( 2.784 2.202 -0.678) 3.613 0.903 ( 4.859 2.574 1.000) 5.589 0.914 ( 0.470 1.172 0.124) 1.269 0.952 ( 1.404 1.817 3.837) 4.471 0.993 ( 2.914 -0.287 -1.147) 3.145 1.155 ( 0.409 1.080 -1.086) 1.585 1.162 ( 0.010 2.682 -2.260) 3.507 1.181 ( -1.559 0.187 2.204) 2.706 1.241 ( 0.453 4.082 -2.034) 4.583 1.264 ( -4.132 1.434 1.247) 4.548 1.307 ( 0.022 -0.265 -0.206) 0.337 1.348 ( -2.756 2.526 -0.845) 3.833 1.382 ( -3.376 5.684 -0.855) 6.666 1.413 ( -0.257 0.041 1.542) 1.564 1.453 ( 0.891 4.022 0.457) 4.144 1.521 ( -1.936 1.799 1.090) 2.859 1.579 ( 0.906 0.530 -0.238) 1.076 1.621 ( -0.994 1.220 1.219) 1.991 1.655 ( -0.899 -0.389 1.608) 1.883 1.696 ( -0.399 -0.890 0.432) 1.067 1.743 ( -0.831 0.932 -1.727) 2.131 1.775 ( -1.107 1.046 -1.107) 1.883 1.929 ( 2.753 2.683 -0.827) 3.931 2.003 ( 1.494 -0.732 0.743) 1.822 2.032 ( 2.538 -4.782 -0.873) 5.483 2.675 ( -1.597 -0.180 0.654) 1.736 2.775 ( 0.867 -0.026 -1.753) 1.956 2.924 ( -1.385 -4.896 1.093) 5.204 2.970 ( 1.576 -5.945 1.898) 6.437 3.099 ( -0.844 -2.172 -7.024) 7.401 3.138 ( 1.345 -1.998 2.753) 3.657 3.337 ( -1.416 -1.113 -1.609) 2.415 3.390 ( -4.435 0.104 1.628) 4.725 3.520 ( 0.404 -2.251 3.797) 4.433 3.595 ( 0.334 -3.072 0.064) 3.090 3.666 ( -1.725 -0.112 -1.261) 2.139 3.811 ( 4.558 1.900 0.885) 5.017 4.237 ( 1.914 0.650 0.776) 2.165 4.277 ( 2.046 -1.147 -2.112) 3.157 4.887 ( -0.159 -0.367 0.974) 1.053 4.921 ( -0.419 -0.275 0.717) 0.875 4.950 ( 0.324 0.469 -0.930) 1.091 4.957 ( 1.287 -0.295 0.277) 1.349 5.761 ( -0.043 4.783 0.204) 4.788 5.804 ( 0.569 5.614 0.054) 5.643 6.380 ( 0.043 -0.462 2.463) 2.507 6.439 ( 1.084 -2.798 0.283) 3.014 6.447 ( -0.135 -0.344 -0.349) 0.508 6.521 ( 2.095 0.164 3.320) 3.929 6.636 ( -0.592 -5.478 -1.284) 5.657 6.682 ( -0.193 -3.810 -1.203) 4.000 6.792 ( -4.100 -6.140 -4.267) 8.528 6.910 ( 0.448 -8.154 1.440) 8.292 6.986 ( -0.380 -8.043 0.037) 8.052 7.030 ( 2.558 -10.438 -0.899) 10.784 8.331 ( -0.140 0.538 -1.823) 1.906 8.342 ( 0.364 0.176 0.482) 0.629 8.543 ( -1.580 -1.733 0.110) 2.348 8.585 ( -0.632 -2.595 1.273) 2.959 9.627 ( -1.829 -0.673 -0.939) 2.163 9.772 ( 3.403 -2.736 -3.294) 5.469 9.999 ( -3.289 -6.786 1.392) 7.668 10.125 ( 1.049 -7.834 0.151) 7.905 11.597 ( -0.696 2.055 2.135) 3.043 11.675 ( 0.154 1.882 -0.767) 2.038 11.764 ( 0.103 5.501 -0.701) 5.547 11.845 ( 1.549 3.303 -0.911) 3.760 12.398 ( 1.085 4.661 -0.479) 4.809 12.494 ( 4.213 4.354 2.871) 6.704 12.546 ( -1.789 3.905 1.167) 4.451 12.651 ( -1.424 2.575 -0.562) 2.996 12.710 ( 0.091 2.329 -2.565) 3.466 12.793 ( 3.883 3.154 1.938) 5.365 13.000 ( -2.430 1.471 -1.728) 3.325 13.188 ( 4.219 4.003 1.289) 5.957 20.811 ( -4.939 0.255 2.284) 5.447 20.915 ( -2.724 0.565 -4.519) 5.307 21.048 ( -0.021 -2.428 -2.498) 3.484 21.195 ( 4.484 -1.081 5.164) 6.924 21.483 ( -0.100 1.811 -1.042) 2.092 21.612 ( 2.239 2.974 -4.301) 5.688 21.722 ( -2.525 -0.933 -0.252) 2.704 21.841 ( 2.471 0.502 1.628) 3.001 21.936 ( -1.920 2.321 -0.228) 3.020 22.070 ( -4.038 6.475 2.258) 7.958 22.347 ( 7.628 -10.774 1.724) 13.313 22.522 ( 5.235 -3.867 -1.199) 6.618 22.795 ( -1.765 -0.977 -1.083) 2.290 22.819 ( -0.310 -0.845 1.090) 1.413 22.825 ( -0.173 -0.543 -0.469) 0.738 22.956 ( 5.359 -1.225 0.950) 5.579 ======================= Grid point 97 (45/90) ======================= q-point: (-0.14 0.20 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.450 ( -1.778 -2.357 -0.475) 2.990 0.461 ( -6.813 7.278 2.133) 10.194 0.620 ( 1.829 -0.417 -2.978) 3.519 0.636 ( -0.559 10.238 -8.512) 13.326 0.765 ( 4.301 -2.085 0.840) 4.853 0.852 ( 1.889 1.524 -2.232) 3.297 0.900 ( -1.117 1.370 -1.761) 2.495 0.971 ( 1.142 1.578 2.186) 2.928 1.005 ( 3.673 0.755 -1.362) 3.989 1.023 ( -0.092 4.085 2.030) 4.562 1.123 ( 1.274 4.749 -2.471) 5.503 1.151 ( -0.115 2.403 -0.444) 2.446 1.186 ( -1.601 1.688 1.232) 2.633 1.208 ( -2.110 0.051 0.318) 2.135 1.243 ( -0.315 4.263 -0.367) 4.290 1.301 ( -0.926 2.171 1.833) 2.989 1.308 ( -2.619 4.797 1.458) 5.657 1.353 ( 0.827 -0.189 0.211) 0.874 1.408 ( -0.620 -1.075 -0.501) 1.339 1.477 ( 0.169 3.869 1.918) 4.322 1.505 ( -1.642 2.781 2.534) 4.105 1.581 ( -0.254 -2.303 -0.800) 2.452 1.603 ( -1.048 -0.424 0.266) 1.161 1.668 ( -1.385 -1.365 -0.441) 1.994 1.685 ( 0.645 1.176 1.071) 1.717 1.718 ( -0.931 1.813 -0.410) 2.079 1.753 ( 0.444 1.681 -2.748) 3.252 1.966 ( 1.033 0.651 1.860) 2.224 2.030 ( 1.642 1.454 -0.592) 2.272 2.059 ( 1.644 -5.256 -1.797) 5.793 2.664 ( -0.631 -0.143 0.584) 0.872 2.773 ( 0.989 0.868 -1.437) 1.948 2.879 ( -1.542 -1.923 -1.463) 2.866 3.015 ( -0.767 -3.266 0.704) 3.428 3.075 ( 1.809 -5.121 3.390) 6.402 3.167 ( -0.342 -1.769 1.415) 2.291 3.298 ( -2.126 0.950 -1.151) 2.597 3.339 ( -3.171 0.100 1.621) 3.563 3.534 ( -0.568 -4.285 0.300) 4.333 3.620 ( 1.766 -1.916 -0.543) 2.662 3.651 ( -0.642 -1.441 3.088) 3.468 3.881 ( 2.262 1.060 1.687) 3.014 4.289 ( 1.020 -0.607 -0.734) 1.395 4.298 ( 2.941 0.102 2.199) 3.674 4.877 ( 0.091 -0.996 -2.683) 2.864 4.917 ( -0.710 -0.001 0.675) 0.979 4.949 ( 0.348 0.118 -0.714) 0.803 4.960 ( 0.641 -0.601 -3.007) 3.133 5.769 ( 0.359 4.534 0.583) 4.586 5.819 ( 0.156 3.481 1.542) 3.811 6.370 ( -0.355 1.144 -2.907) 3.144 6.425 ( 0.769 -0.437 -3.242) 3.361 6.465 ( 1.734 -1.286 -2.214) 3.092 6.592 ( -2.339 -3.941 -2.193) 5.080 6.605 ( 1.478 -3.187 4.809) 5.955 6.686 ( -2.379 -3.471 4.725) 6.327 6.723 ( 0.805 -4.362 -0.661) 4.485 6.926 ( 0.217 -8.757 0.230) 8.762 6.980 ( -0.742 -8.369 1.103) 8.474 7.061 ( 1.801 -12.450 -0.373) 12.585 8.321 ( 0.925 0.674 -1.355) 1.774 8.345 ( -0.591 0.614 0.250) 0.889 8.521 ( -0.937 -1.215 -0.125) 1.540 8.576 ( -1.379 -3.106 0.322) 3.414 9.618 ( -0.442 -0.121 3.576) 3.605 9.807 ( 3.704 -3.550 -0.683) 5.175 9.959 ( -3.002 -6.983 0.939) 7.658 10.128 ( 0.165 -6.874 -1.942) 7.145 11.614 ( -0.716 1.974 3.406) 4.001 11.672 ( -0.084 1.945 0.095) 1.949 11.755 ( 0.663 4.771 -2.053) 5.236 11.854 ( 1.194 2.895 -1.705) 3.566 12.425 ( 1.545 4.740 1.002) 5.085 12.529 ( -1.627 3.367 2.246) 4.362 12.612 ( 3.891 4.775 1.403) 6.317 12.630 ( 1.424 2.357 0.429) 2.787 12.679 ( -0.806 2.427 -2.715) 3.730 12.845 ( -2.769 5.274 3.511) 6.914 12.968 ( 3.029 -1.990 -2.558) 4.436 13.250 ( 2.735 0.579 -1.923) 3.393 20.711 ( -4.759 0.064 -0.654) 4.804 20.875 ( -0.935 4.201 -1.093) 4.441 21.056 ( 1.534 -3.302 1.662) 4.002 21.297 ( 0.426 0.750 5.157) 5.229 21.483 ( 3.077 0.920 -1.891) 3.727 21.607 ( 0.676 0.836 -1.742) 2.047 21.700 ( -0.041 0.756 0.256) 0.799 21.887 ( 1.677 1.219 0.342) 2.101 21.921 ( -0.261 6.612 0.483) 6.634 21.984 ( -6.432 2.480 0.768) 6.936 22.486 ( 7.205 -18.765 -0.463) 20.106 22.604 ( 3.096 -2.487 1.756) 4.342 22.761 ( -0.851 -0.989 -0.712) 1.486 22.811 ( -0.442 -0.683 -0.973) 1.268 22.827 ( -0.031 -0.741 0.927) 1.187 23.040 ( 4.808 -3.142 -3.267) 6.608 ======================= Grid point 98 (46/90) ======================= q-point: ( 0.00 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.459 ( -0.666 6.650 2.110) 7.008 0.580 ( -2.228 7.706 1.834) 8.229 0.661 ( 3.214 0.626 3.135) 4.533 0.766 ( 0.961 9.434 -6.913) 11.735 0.796 ( 0.276 -0.187 1.027) 1.080 0.865 ( 2.169 -0.535 -3.379) 4.051 0.870 ( -0.594 1.756 -3.737) 4.171 0.973 ( 0.585 0.238 -2.732) 2.804 1.032 ( -3.154 2.049 0.040) 3.761 1.091 ( 2.465 1.804 -1.185) 3.276 1.149 ( -3.166 0.255 2.690) 4.162 1.179 ( -0.454 1.242 -0.096) 1.326 1.197 ( 0.625 1.252 1.766) 2.254 1.238 ( -1.541 0.656 -0.049) 1.675 1.263 ( 0.525 -1.217 -0.478) 1.409 1.293 ( 2.153 3.330 -0.009) 3.965 1.368 ( 1.059 0.100 -1.256) 1.646 1.392 ( -1.099 1.148 -2.688) 3.123 1.442 ( 2.456 2.711 1.920) 4.131 1.501 ( -0.501 -1.636 0.826) 1.900 1.556 ( -1.041 -0.161 1.639) 1.948 1.559 ( 0.062 -0.400 -0.879) 0.968 1.588 ( -2.187 -0.315 2.046) 3.011 1.657 ( 1.925 -0.127 0.295) 1.951 1.666 ( -2.304 -2.208 -0.649) 3.256 1.737 ( 1.270 -0.360 -3.820) 4.041 1.877 ( 0.168 11.121 4.592) 12.033 1.969 ( -0.203 -0.701 0.108) 0.738 2.002 ( -0.313 -1.007 1.980) 2.243 2.100 ( 1.045 1.610 -0.656) 2.028 2.684 ( -0.162 1.683 1.646) 2.360 2.785 ( 0.306 0.598 -1.515) 1.658 2.882 ( 1.136 -0.920 0.951) 1.744 2.896 ( -1.422 -6.205 1.617) 6.567 3.117 ( 2.131 -0.037 1.212) 2.452 3.140 ( -0.594 1.665 -1.768) 2.500 3.301 ( -1.321 2.235 1.134) 2.833 3.316 ( 0.983 -1.982 0.890) 2.385 3.435 ( -0.599 -3.645 0.401) 3.715 3.564 ( -0.322 -3.831 -3.677) 5.320 3.650 ( -0.941 -1.849 6.113) 6.455 3.857 ( 0.243 -4.954 -1.425) 5.160 4.308 ( 0.147 1.013 2.632) 2.824 4.333 ( 0.654 -0.071 0.295) 0.721 4.807 ( -0.395 -1.936 -4.470) 4.887 4.872 ( -0.637 -2.288 -7.036) 7.426 4.924 ( -0.797 1.301 0.755) 1.702 4.968 ( 1.016 1.467 -0.861) 1.982 5.875 ( -0.320 4.247 3.604) 5.579 5.921 ( 0.522 3.605 3.142) 4.811 6.329 ( -0.301 -3.489 0.943) 3.627 6.406 ( 0.796 0.255 -2.645) 2.774 6.432 ( -0.096 -2.227 -0.983) 2.436 6.495 ( -0.915 -0.675 -0.670) 1.319 6.592 ( -0.247 -3.951 1.562) 4.256 6.619 ( -1.827 -4.005 2.924) 5.285 6.673 ( 3.365 -3.308 -1.999) 5.125 6.708 ( 0.087 -10.495 -2.961) 10.906 6.797 ( -1.681 -9.485 2.604) 9.979 6.871 ( 0.760 -8.093 0.035) 8.129 8.351 ( 0.133 0.447 -0.502) 0.685 8.353 ( 0.177 1.522 -0.597) 1.644 8.485 ( 0.251 -1.602 0.289) 1.647 8.509 ( -0.446 -1.600 -0.204) 1.674 9.656 ( -0.007 -0.097 4.009) 4.010 9.784 ( 2.831 -4.183 1.119) 5.173 9.807 ( -1.339 -5.067 -0.086) 5.242 9.955 ( -0.951 -6.866 -3.657) 7.837 11.686 ( -0.538 2.214 4.382) 4.939 11.710 ( -0.680 1.824 1.538) 2.481 11.824 ( 1.017 3.800 -3.357) 5.171 11.892 ( 0.585 2.014 -3.216) 3.840 12.543 ( -0.311 3.703 2.449) 4.451 12.585 ( -1.631 2.379 2.331) 3.708 12.650 ( -0.000 0.902 -1.226) 1.522 12.665 ( -0.089 1.572 -1.760) 2.362 12.803 ( 2.013 2.951 0.273) 3.583 12.905 ( -1.845 5.851 -0.576) 6.162 12.985 ( 1.243 -1.353 4.097) 4.490 13.216 ( -0.068 -0.679 -4.298) 4.352 20.717 ( 0.458 1.802 2.433) 3.062 20.888 ( -0.994 1.720 -4.837) 5.229 21.045 ( 2.425 -4.081 5.070) 6.946 21.270 ( -3.708 -4.166 -0.656) 5.616 21.527 ( 4.267 -2.596 -1.462) 5.204 21.552 ( -2.420 0.547 -2.045) 3.215 21.802 ( 1.428 5.248 6.816) 8.720 21.893 ( -2.913 -3.998 4.553) 6.723 21.998 ( 1.146 2.494 4.237) 5.048 22.079 ( 1.364 3.348 -1.770) 4.025 22.193 ( 0.221 -11.519 0.247) 11.524 22.521 ( -1.192 -2.515 -7.621) 8.114 22.755 ( 0.205 0.028 0.347) 0.404 22.805 ( 0.301 0.988 -0.803) 1.308 22.822 ( -0.054 -0.784 0.745) 1.082 22.948 ( -0.507 -2.705 -4.944) 5.659 ======================= Grid point 99 (47/90) ======================= q-point: ( 0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.302 8.099 3.997) 9.037 0.574 ( -0.212 7.031 1.239) 7.143 0.710 ( 1.622 9.154 -6.673) 11.444 0.758 ( 3.471 1.604 2.767) 4.720 0.765 ( -1.818 0.360 -1.927) 2.673 0.842 ( 0.348 3.959 -2.224) 4.554 0.877 ( 1.411 0.427 -0.698) 1.631 0.933 ( -1.378 2.635 -4.514) 5.405 0.982 ( -2.277 0.509 1.503) 2.775 1.117 ( 0.166 0.253 -0.262) 0.400 1.128 ( -1.050 0.180 0.957) 1.432 1.149 ( -2.433 2.171 0.615) 3.318 1.225 ( 0.612 -0.111 0.367) 0.722 1.249 ( 0.567 0.709 2.544) 2.701 1.279 ( 1.228 0.399 0.498) 1.384 1.314 ( 0.064 0.424 0.059) 0.433 1.328 ( 0.298 1.574 -2.887) 3.302 1.393 ( 1.397 1.715 -1.503) 2.674 1.479 ( -0.823 0.532 -0.284) 1.020 1.502 ( -3.056 0.912 0.868) 3.305 1.533 ( 1.952 0.140 0.760) 2.099 1.576 ( 0.340 -0.516 1.252) 1.397 1.606 ( 2.201 -0.667 1.207) 2.597 1.625 ( -1.727 -1.310 -0.649) 2.263 1.694 ( 2.398 -0.015 -0.147) 2.402 1.723 ( 1.231 -1.175 -2.446) 2.980 1.919 ( -0.290 6.094 3.179) 6.880 1.955 ( -1.009 0.175 -0.596) 1.185 2.013 ( -1.257 1.304 2.717) 3.265 2.095 ( 0.002 1.733 -2.068) 2.699 2.704 ( 0.072 1.684 2.152) 2.734 2.772 ( 0.491 0.602 -2.009) 2.154 2.854 ( -3.018 -2.242 -0.041) 3.760 2.933 ( 1.806 -4.412 1.596) 5.027 3.077 ( -2.238 1.700 -1.836) 3.357 3.197 ( 4.225 -2.225 0.265) 4.782 3.311 ( 0.123 1.109 1.441) 1.823 3.343 ( 1.174 -0.519 0.861) 1.546 3.432 ( -0.965 -3.341 1.072) 3.639 3.528 ( 0.472 -5.064 -2.763) 5.788 3.678 ( -3.305 -2.585 5.319) 6.775 3.829 ( -0.991 -3.185 -2.091) 3.937 4.325 ( -0.770 1.232 1.319) 1.962 4.343 ( -0.206 -0.413 1.005) 1.106 4.765 ( -0.205 -2.469 -2.355) 3.418 4.792 ( -0.696 -2.309 -5.331) 5.851 4.917 ( -0.830 1.140 0.586) 1.527 4.978 ( 1.208 1.364 -0.824) 1.999 5.906 ( -0.332 4.656 3.311) 5.723 5.947 ( 0.051 5.058 0.724) 5.110 6.332 ( -0.763 -0.376 1.687) 1.889 6.394 ( 0.416 1.167 -1.953) 2.313 6.419 ( -1.049 -3.347 0.300) 3.520 6.465 ( -0.531 2.974 -2.164) 3.716 6.588 ( -2.460 -7.137 1.362) 7.671 6.612 ( -0.741 -4.903 0.991) 5.057 6.703 ( 2.460 -9.549 -2.190) 10.100 6.720 ( 3.878 -5.827 -0.884) 7.055 6.801 ( -1.333 -9.924 2.859) 10.413 6.878 ( 0.470 -8.521 -0.635) 8.557 8.336 ( -0.556 0.938 -0.799) 1.353 8.361 ( 0.585 -0.155 -0.045) 0.607 8.498 ( 0.604 -0.571 -0.401) 0.923 8.506 ( 0.609 -1.658 0.495) 1.834 9.698 ( -0.147 -1.619 3.779) 4.114 9.777 ( -0.541 -3.812 -2.277) 4.473 9.847 ( 1.529 -4.841 2.686) 5.743 9.901 ( -0.250 -7.118 -3.638) 7.997 11.705 ( -1.864 3.126 2.275) 4.292 11.728 ( -0.097 2.235 3.567) 4.210 11.811 ( 1.229 2.909 -2.684) 4.144 11.864 ( 0.703 1.671 -3.777) 4.189 12.550 ( -1.789 3.360 2.483) 4.545 12.580 ( -1.361 2.349 1.372) 3.042 12.625 ( -1.182 1.612 -0.569) 2.078 12.669 ( 1.499 1.045 -0.893) 2.034 12.771 ( -3.688 3.646 -0.241) 5.191 12.938 ( 4.386 4.333 -0.922) 6.234 13.017 ( -2.602 -0.625 4.150) 4.937 13.176 ( 1.075 1.369 -4.009) 4.371 20.765 ( 1.219 1.899 1.929) 2.969 20.843 ( 1.797 -0.234 -3.007) 3.511 21.123 ( -3.258 -2.445 0.835) 4.158 21.192 ( 0.612 -5.317 2.624) 5.960 21.467 ( -4.417 -0.455 -2.703) 5.199 21.598 ( 4.237 -2.310 -0.823) 4.895 21.871 ( -2.890 -2.801 2.084) 4.532 21.914 ( 2.462 6.394 7.236) 9.965 22.013 ( -3.351 1.360 0.420) 3.641 22.097 ( 3.269 2.633 -1.477) 4.450 22.232 ( -0.078 -8.933 6.821) 11.240 22.386 ( -2.884 -3.402 -11.217) 12.071 22.764 ( 0.284 -0.200 0.378) 0.513 22.794 ( 0.492 0.165 -1.616) 1.698 22.838 ( -0.323 -0.717 1.971) 2.122 22.886 ( -1.279 -0.586 -3.233) 3.526 ======================= Grid point 100 (48/90) ======================= q-point: ( 0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.528 ( 1.201 6.570 0.566) 6.702 0.610 ( 1.016 6.386 2.499) 6.933 0.664 ( 0.330 7.385 -3.763) 8.295 0.733 ( 0.849 1.663 -2.397) 3.039 0.789 ( -0.235 5.091 -4.996) 7.137 0.841 ( 0.900 0.091 2.040) 2.232 0.891 ( 0.740 2.006 0.304) 2.160 0.898 ( 0.539 1.613 0.331) 1.732 0.968 ( -1.757 0.562 1.149) 2.173 1.087 ( -1.627 -0.028 0.728) 1.783 1.107 ( -3.573 2.759 1.821) 4.868 1.162 ( 1.997 0.307 -0.744) 2.153 1.217 ( -1.109 -0.059 0.274) 1.144 1.277 ( -0.385 0.548 1.748) 1.871 1.303 ( 0.088 1.020 -2.067) 2.307 1.316 ( 2.963 0.327 0.479) 3.019 1.339 ( 0.814 1.343 1.777) 2.371 1.397 ( 1.771 -0.410 -2.402) 3.012 1.425 ( -2.106 1.131 -2.677) 3.589 1.477 ( -1.604 1.467 1.451) 2.614 1.555 ( -0.469 0.441 1.534) 1.664 1.592 ( -1.432 -0.970 -0.134) 1.735 1.619 ( 1.171 0.080 1.969) 2.293 1.660 ( 3.483 0.769 -0.738) 3.643 1.728 ( 1.808 -0.289 -0.243) 1.847 1.737 ( 2.385 -1.567 -0.227) 2.862 1.928 ( -1.168 2.175 1.038) 2.678 1.934 ( -1.000 0.448 -0.011) 1.096 2.007 ( -2.260 2.375 1.201) 3.491 2.064 ( 0.049 2.033 -3.615) 4.148 2.722 ( -0.154 1.633 1.282) 2.082 2.764 ( 0.865 0.770 -1.577) 1.957 2.806 ( -2.637 -0.615 0.115) 2.710 2.960 ( 0.113 -6.799 0.048) 6.800 3.049 ( 0.259 3.495 -0.304) 3.518 3.242 ( 2.182 -3.280 -2.240) 4.532 3.313 ( -0.370 -1.543 -1.096) 1.928 3.353 ( -0.570 -1.764 0.801) 2.019 3.459 ( 2.161 -1.445 3.168) 4.098 3.525 ( 0.907 -4.726 -0.567) 4.846 3.646 ( -5.243 -1.523 2.632) 6.061 3.795 ( -0.967 -1.825 -1.432) 2.514 4.311 ( -0.787 0.181 -1.400) 1.616 4.339 ( -0.853 0.517 -0.609) 1.168 4.750 ( 0.032 -1.796 0.501) 1.865 4.771 ( 0.044 -2.509 2.040) 3.234 4.912 ( -0.672 0.889 0.837) 1.394 4.987 ( 1.060 1.180 -1.074) 1.916 5.921 ( -0.563 5.322 0.212) 5.356 5.943 ( -0.240 4.732 -0.427) 4.757 6.332 ( -0.853 0.742 -0.097) 1.135 6.378 ( 0.513 0.319 -1.860) 1.956 6.398 ( -1.472 1.716 0.279) 2.278 6.462 ( 0.410 -0.363 1.859) 1.938 6.554 ( -2.413 -5.560 0.240) 6.066 6.615 ( -0.386 -7.412 0.863) 7.472 6.721 ( 1.934 -11.450 -1.432) 11.700 6.775 ( 3.547 -6.154 -0.837) 7.153 6.812 ( -0.466 -8.796 2.175) 9.073 6.870 ( -0.304 -7.259 -1.419) 7.403 8.322 ( -0.167 0.989 -0.488) 1.115 8.370 ( 0.289 -1.118 0.424) 1.230 8.497 ( 0.618 -0.708 -1.024) 1.390 8.530 ( 0.793 -1.219 0.989) 1.759 9.710 ( -1.364 -2.671 0.528) 3.045 9.746 ( 0.275 -1.681 -2.844) 3.315 9.868 ( 1.215 -6.072 -0.934) 6.262 9.906 ( 0.364 -7.138 2.434) 7.550 11.690 ( -1.540 3.685 0.343) 4.009 11.752 ( -1.055 2.209 1.911) 3.106 11.808 ( 1.188 2.540 -1.176) 3.041 11.851 ( 1.229 1.600 -1.604) 2.577 12.536 ( -1.922 4.013 0.394) 4.467 12.574 ( -0.613 3.368 0.878) 3.534 12.615 ( -1.205 1.048 2.604) 3.055 12.657 ( -2.058 0.535 -1.207) 2.445 12.737 ( 0.141 4.086 -0.356) 4.104 12.945 ( -0.323 0.518 -4.475) 4.517 13.043 ( 1.108 4.254 4.339) 6.177 13.167 ( 0.724 2.198 -1.343) 2.675 20.787 ( 1.822 2.813 0.231) 3.359 20.884 ( 2.681 -2.244 0.566) 3.542 21.018 ( -4.036 -3.515 -2.497) 5.906 21.286 ( -0.030 -3.722 3.844) 5.351 21.371 ( -2.167 -1.024 -0.885) 2.555 21.643 ( 2.925 -1.252 -1.323) 3.446 21.830 ( -3.379 -2.578 -0.006) 4.250 21.941 ( -3.573 -0.618 -0.822) 3.718 22.028 ( 2.801 4.877 3.457) 6.602 22.131 ( 2.087 1.229 -1.262) 2.731 22.191 ( -2.215 2.247 -9.169) 9.696 22.334 ( -1.397 -6.936 7.766) 10.505 22.768 ( 0.404 -0.007 -0.274) 0.488 22.797 ( 0.497 -0.412 0.233) 0.686 22.837 ( -0.533 -0.353 -0.463) 0.790 22.857 ( -0.865 -0.632 0.569) 1.213 ======================= Grid point 101 (49/90) ======================= q-point: ( 0.43 0.30 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.533 ( 1.047 6.558 -3.239) 7.389 0.581 ( -2.919 3.611 -3.357) 5.730 0.669 ( 2.222 2.529 -0.408) 3.391 0.742 ( 1.074 -0.631 -0.999) 1.597 0.787 ( 2.686 6.189 1.667) 6.949 0.850 ( 1.471 3.819 -1.096) 4.237 0.905 ( -0.673 0.780 1.097) 1.505 0.920 ( 0.950 2.306 0.670) 2.583 0.949 ( -1.973 1.288 0.981) 2.552 1.061 ( -3.563 2.644 0.442) 4.459 1.101 ( 0.324 -0.133 3.030) 3.050 1.156 ( 0.176 1.667 -1.803) 2.462 1.222 ( -0.177 -0.830 1.064) 1.361 1.267 ( -0.865 -2.724 -3.220) 4.306 1.297 ( -0.125 2.229 3.504) 4.155 1.337 ( -0.250 0.229 -1.635) 1.670 1.359 ( 0.843 1.341 -0.835) 1.791 1.404 ( 1.799 0.749 -0.194) 1.958 1.425 ( 2.140 0.889 1.028) 2.535 1.480 ( -0.563 0.587 2.917) 3.028 1.558 ( -2.332 1.716 2.846) 4.060 1.569 ( -0.056 -1.205 -1.409) 1.855 1.646 ( 0.149 -1.023 1.248) 1.621 1.684 ( 1.730 1.435 -2.763) 3.562 1.755 ( 1.170 0.677 0.105) 1.356 1.775 ( 1.340 -1.043 1.025) 1.983 1.908 ( -1.346 -1.224 -0.248) 1.836 1.919 ( -1.329 1.642 0.111) 2.116 1.971 ( -1.913 2.870 -0.874) 3.558 2.035 ( 1.639 2.803 -4.127) 5.251 2.725 ( -0.535 1.356 0.409) 1.514 2.765 ( 1.033 0.588 -1.358) 1.805 2.783 ( -0.966 -0.149 1.553) 1.835 2.946 ( -0.586 -6.617 -1.741) 6.867 3.061 ( 0.777 3.782 0.403) 3.882 3.217 ( -0.300 -2.520 -4.811) 5.439 3.309 ( 1.557 -3.400 -0.148) 3.743 3.353 ( -0.896 -2.205 0.829) 2.520 3.520 ( -0.685 -3.394 2.421) 4.225 3.553 ( 3.180 -2.809 2.068) 4.720 3.585 ( -4.456 -0.090 1.704) 4.772 3.765 ( -0.458 -1.253 -2.236) 2.603 4.280 ( -0.162 0.075 -2.725) 2.731 4.304 ( -0.868 1.669 -2.808) 3.380 4.787 ( 0.705 -1.450 4.788) 5.052 4.814 ( 0.311 -2.203 5.368) 5.811 4.915 ( -0.399 0.759 1.421) 1.659 4.988 ( 0.693 1.037 -1.481) 1.937 5.895 ( -0.882 4.956 -2.140) 5.470 5.931 ( -0.118 4.265 -1.773) 4.621 6.307 ( -0.998 -0.055 -0.661) 1.199 6.380 ( 1.115 -2.922 -1.115) 3.320 6.394 ( 0.075 2.627 1.514) 3.033 6.496 ( 0.064 -2.685 2.870) 3.930 6.522 ( -1.348 -2.550 0.057) 2.885 6.617 ( -0.020 -6.079 0.195) 6.082 6.728 ( -0.108 -11.531 -0.325) 11.536 6.803 ( 1.082 -8.849 -0.784) 8.949 6.834 ( 1.501 -4.831 -0.248) 5.065 6.842 ( -1.028 -6.385 -1.175) 6.573 8.322 ( 0.302 0.794 0.203) 0.874 8.376 ( -0.019 -0.496 0.170) 0.525 8.500 ( 0.530 -1.614 -0.198) 1.710 8.545 ( 0.081 -1.215 0.436) 1.294 9.686 ( -0.845 -2.324 -0.990) 2.664 9.722 ( 0.742 -0.585 -3.529) 3.653 9.891 ( 1.574 -7.969 0.711) 8.155 9.924 ( -1.166 -6.210 2.054) 6.644 11.666 ( -1.265 3.393 -0.326) 3.636 11.735 ( -0.655 1.532 -1.355) 2.148 11.829 ( 0.891 3.104 1.344) 3.498 11.864 ( 1.216 2.012 -0.069) 2.352 12.510 ( -0.903 4.836 -0.187) 4.923 12.553 ( -2.298 3.490 -1.009) 4.299 12.618 ( -1.992 1.640 2.068) 3.307 12.650 ( 1.639 1.355 2.606) 3.363 12.737 ( 0.433 2.803 -1.353) 3.143 12.884 ( -0.366 1.446 -5.545) 5.742 13.101 ( 0.119 3.693 3.880) 5.358 13.168 ( 0.946 3.254 -0.622) 3.445 20.835 ( 1.243 3.422 2.080) 4.194 20.912 ( 1.843 -3.071 1.137) 3.758 20.979 ( -0.523 -5.021 0.126) 5.049 21.200 ( -3.834 -1.184 -6.417) 7.568 21.428 ( 0.568 -1.901 6.382) 6.683 21.675 ( 3.592 -0.346 -2.022) 4.137 21.770 ( -3.194 -1.970 -0.561) 3.795 21.901 ( -1.353 -1.689 0.205) 2.174 21.967 ( -3.183 2.504 -8.612) 9.517 22.101 ( 1.532 -4.764 -6.649) 8.322 22.240 ( 4.394 6.904 6.500) 10.451 22.367 ( -3.492 -0.978 5.915) 6.938 22.779 ( 0.852 -0.389 0.486) 1.055 22.806 ( -0.106 -0.222 0.899) 0.932 22.833 ( 0.129 -0.559 -0.104) 0.583 22.847 ( -0.676 -0.627 0.371) 0.994 ======================= Grid point 102 (50/90) ======================= q-point: (-0.43 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.496 ( -2.906 3.628 -2.465) 5.262 0.523 ( 2.135 4.698 -2.295) 5.648 0.704 ( -2.083 -1.583 -3.424) 4.309 0.724 ( 3.588 0.156 0.708) 3.661 0.859 ( 2.932 3.771 0.833) 4.849 0.881 ( 0.717 3.800 0.149) 3.870 0.912 ( -1.612 4.431 0.310) 4.726 0.930 ( 1.242 1.171 1.938) 2.582 0.939 ( 0.694 2.938 0.984) 3.175 1.001 ( -0.973 4.191 -2.037) 4.760 1.135 ( -0.790 -1.732 2.480) 3.126 1.161 ( 0.755 1.398 0.889) 1.821 1.206 ( -0.692 -1.671 -0.856) 2.001 1.246 ( 0.973 -2.277 -1.369) 2.829 1.319 ( -0.611 0.295 -0.836) 1.076 1.322 ( -1.704 1.877 2.312) 3.431 1.355 ( 0.821 -0.079 -0.551) 0.992 1.430 ( 0.434 1.249 -0.551) 1.433 1.459 ( 0.351 1.563 2.295) 2.799 1.517 ( 0.369 -0.082 2.940) 2.965 1.542 ( 0.323 1.598 -0.902) 1.863 1.560 ( -1.564 -1.379 1.176) 2.394 1.650 ( -0.592 -1.592 0.010) 1.699 1.669 ( -0.516 -0.045 -1.460) 1.549 1.762 ( -0.742 1.668 0.782) 1.986 1.780 ( -1.127 0.612 -0.281) 1.313 1.881 ( -2.670 5.457 -0.786) 6.126 1.906 ( 1.345 -2.556 0.285) 2.903 1.941 ( -0.184 0.927 -1.610) 1.867 2.039 ( 3.325 3.819 -3.208) 5.994 2.711 ( -1.452 1.377 0.104) 2.004 2.771 ( 1.431 0.121 -1.400) 2.005 2.811 ( 1.032 -1.374 3.157) 3.595 2.906 ( -0.912 -4.763 -3.240) 5.832 3.085 ( 1.108 1.999 1.467) 2.716 3.155 ( -0.698 -0.033 -4.984) 5.033 3.335 ( -1.375 -2.261 -0.658) 2.727 3.353 ( 2.490 -3.848 1.039) 4.700 3.497 ( -4.209 -1.968 2.484) 5.269 3.553 ( -1.280 -0.394 1.016) 1.682 3.630 ( 1.537 -3.833 3.176) 5.210 3.745 ( 2.047 -1.912 -3.101) 4.179 4.257 ( 0.371 1.615 -2.192) 2.748 4.272 ( 0.742 1.483 -2.346) 2.873 4.847 ( -0.031 -1.270 4.786) 4.952 4.882 ( 1.234 -1.229 4.942) 5.240 4.925 ( -0.332 0.564 1.641) 1.767 4.979 ( 0.395 1.066 -1.947) 2.255 5.859 ( -1.057 3.844 -1.626) 4.305 5.905 ( 0.098 3.433 -2.950) 4.527 6.299 ( -0.395 -2.111 1.164) 2.442 6.377 ( 0.384 -4.125 -1.188) 4.310 6.433 ( 1.924 -0.600 1.821) 2.716 6.500 ( 0.395 -2.126 -1.103) 2.427 6.529 ( -0.421 -1.910 2.354) 3.060 6.617 ( -0.179 -3.849 -0.142) 3.856 6.710 ( -1.515 -9.111 -0.409) 9.245 6.800 ( -0.716 -5.056 -0.013) 5.106 6.816 ( -0.762 -8.178 -0.438) 8.225 6.852 ( 1.337 -5.861 -1.387) 6.169 8.334 ( 0.514 0.609 0.777) 1.113 8.371 ( -0.199 1.047 -0.760) 1.309 8.506 ( -0.269 -2.538 0.689) 2.644 8.543 ( -0.392 -1.666 -0.058) 1.713 9.656 ( -1.308 -0.539 -1.498) 2.061 9.710 ( 1.814 -1.750 -2.671) 3.673 9.909 ( -2.204 -6.395 0.740) 6.804 9.931 ( 1.640 -7.662 1.612) 8.000 11.646 ( -0.982 2.769 0.131) 2.941 11.715 ( -0.149 1.209 -1.300) 1.781 11.852 ( 0.488 3.584 0.670) 3.679 11.884 ( 1.318 2.377 -0.028) 2.718 12.500 ( -1.166 4.643 -0.332) 4.799 12.522 ( 0.671 4.419 0.781) 4.538 12.616 ( -0.894 2.447 1.745) 3.136 12.712 ( 1.584 0.426 1.051) 1.948 12.724 ( 0.454 2.761 0.298) 2.814 12.827 ( 0.838 1.978 -5.929) 6.306 13.104 ( -3.329 3.234 2.256) 5.160 13.198 ( 2.625 3.143 0.091) 4.096 20.852 ( -2.002 1.814 3.261) 4.235 20.952 ( -2.246 -3.721 0.305) 4.357 21.011 ( 5.623 -2.951 2.546) 6.842 21.081 ( -1.838 -1.941 -7.109) 7.595 21.486 ( -0.569 0.327 5.279) 5.319 21.707 ( 2.719 1.413 -4.487) 5.434 21.733 ( -1.073 -2.695 0.943) 3.050 21.824 ( -1.817 3.581 -5.795) 7.050 21.921 ( 0.391 -4.645 1.231) 4.821 22.055 ( 1.620 -8.023 -5.935) 10.110 22.309 ( -5.122 5.800 3.774) 8.609 22.411 ( 5.228 3.322 3.849) 7.293 22.797 ( -0.195 -0.839 0.984) 1.308 22.811 ( -1.002 -0.810 0.897) 1.570 22.822 ( -0.012 0.132 -0.445) 0.464 22.866 ( 2.358 -0.467 0.439) 2.443 ======================= Grid point 103 (51/90) ======================= q-point: (-0.29 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.453 ( -0.851 3.574 0.228) 3.681 0.566 ( 3.162 3.382 1.262) 4.799 0.635 ( -1.471 -0.244 -3.144) 3.480 0.767 ( -1.404 2.457 0.804) 2.942 0.824 ( 0.639 1.040 -3.637) 3.836 0.878 ( -0.630 5.073 -2.083) 5.520 0.922 ( 2.589 0.646 -1.012) 2.854 0.966 ( 1.888 0.275 -0.681) 2.026 0.979 ( 1.798 4.390 1.895) 5.108 1.034 ( 1.762 3.122 3.434) 4.964 1.141 ( 0.878 -1.873 0.578) 2.148 1.177 ( -0.749 0.379 1.510) 1.727 1.201 ( 0.396 0.878 -1.138) 1.491 1.253 ( 1.189 -1.841 0.653) 2.287 1.287 ( -2.413 1.312 0.780) 2.855 1.314 ( -1.162 0.607 -0.328) 1.352 1.354 ( -0.505 1.033 -1.103) 1.593 1.400 ( -1.167 1.089 -2.422) 2.901 1.494 ( 0.576 1.033 2.658) 2.909 1.517 ( 0.305 0.606 -2.443) 2.535 1.531 ( -1.893 -0.971 0.196) 2.136 1.568 ( -0.066 0.873 2.198) 2.366 1.625 ( -2.458 -0.808 -0.108) 2.589 1.652 ( -0.823 -1.227 0.768) 1.665 1.743 ( -2.311 -0.981 0.533) 2.566 1.766 ( 0.196 2.168 -0.651) 2.272 1.836 ( -1.830 8.703 0.013) 8.894 1.934 ( 1.453 -0.743 -0.894) 1.861 1.943 ( 1.553 -1.898 0.990) 2.644 2.064 ( 2.836 3.761 -1.984) 5.111 2.689 ( -1.268 1.302 0.190) 1.827 2.782 ( 1.193 0.530 -0.774) 1.518 2.861 ( 0.646 -3.973 3.232) 5.162 2.866 ( -0.006 -2.885 -2.521) 3.832 3.100 ( 0.071 1.913 -3.086) 3.632 3.127 ( 0.887 0.909 1.661) 2.091 3.304 ( -0.412 -2.543 -1.739) 3.108 3.372 ( -1.653 -1.403 0.290) 2.187 3.479 ( -1.796 -2.120 3.025) 4.108 3.548 ( -0.668 -1.571 1.782) 2.468 3.641 ( -1.042 -2.033 -0.667) 2.380 3.785 ( 4.440 -4.715 -0.595) 6.503 4.251 ( 0.914 1.991 -0.462) 2.239 4.283 ( 2.243 0.937 -0.933) 2.603 4.874 ( -0.611 -0.798 1.384) 1.711 4.925 ( -0.371 0.786 0.991) 1.318 4.944 ( 1.134 -0.842 1.256) 1.890 4.966 ( 0.391 0.988 -1.677) 1.985 5.837 ( -0.688 3.085 0.491) 3.199 5.881 ( -0.065 2.365 -1.365) 2.731 6.310 ( -0.007 -4.981 1.147) 5.111 6.383 ( 1.689 -3.591 -0.429) 3.992 6.460 ( 0.468 -0.175 -1.352) 1.442 6.517 ( 2.316 -2.627 0.386) 3.523 6.536 ( -0.571 -3.035 0.580) 3.142 6.609 ( -1.420 -3.488 1.694) 4.129 6.680 ( -0.933 -4.997 -1.327) 5.254 6.787 ( -1.676 -5.118 0.114) 5.386 6.802 ( -0.640 -9.482 0.628) 9.524 6.854 ( 0.718 -5.765 -1.211) 5.934 8.350 ( 0.346 0.991 0.449) 1.141 8.359 ( 0.040 1.520 -0.961) 1.799 8.502 ( -1.035 -2.260 0.522) 2.540 8.534 ( -0.672 -2.472 -0.098) 2.563 9.625 ( -1.133 0.588 -0.135) 1.284 9.718 ( 1.869 -2.389 -1.823) 3.538 9.873 ( -2.462 -5.957 -0.001) 6.446 9.972 ( 1.450 -7.620 1.079) 7.831 11.640 ( -0.635 2.280 1.386) 2.743 11.705 ( -0.039 1.155 -0.338) 1.204 11.857 ( 0.325 3.982 -1.067) 4.135 11.902 ( 1.206 2.453 -0.707) 2.824 12.492 ( 0.395 4.765 0.410) 4.799 12.564 ( 0.223 2.780 3.981) 4.861 12.628 ( 2.002 4.040 -0.217) 4.514 12.691 ( -1.013 1.342 -1.218) 2.076 12.756 ( 0.339 2.231 -1.807) 2.891 12.826 ( 4.145 0.587 -0.315) 4.198 13.054 ( -4.546 3.821 0.635) 5.972 13.235 ( 1.953 1.059 -0.401) 2.258 20.807 ( -5.669 -0.110 0.364) 5.682 20.946 ( 0.321 1.662 1.480) 2.248 20.995 ( -0.683 -2.779 -3.963) 4.888 21.138 ( 5.752 -5.039 2.610) 8.080 21.518 ( -0.605 1.953 2.497) 3.227 21.670 ( -0.031 3.175 -7.082) 7.761 21.705 ( -1.518 -0.348 2.118) 2.629 21.824 ( 1.564 -1.257 2.222) 2.994 21.934 ( 0.147 -2.651 -0.013) 2.655 22.058 ( 3.837 -14.372 -2.575) 15.097 22.241 ( -5.011 9.209 0.854) 10.518 22.525 ( 4.546 1.380 1.368) 4.944 22.781 ( -1.678 -0.442 -0.209) 1.748 22.802 ( -0.307 -0.507 -0.074) 0.597 22.828 ( 0.239 0.352 0.089) 0.435 22.926 ( 4.021 -1.889 0.278) 4.452 ======================= Grid point 104 (52/90) ======================= q-point: (-0.14 0.30 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.457 ( -0.364 4.400 0.988) 4.524 0.601 ( 0.130 2.898 1.753) 3.389 0.610 ( -1.885 4.101 0.916) 4.606 0.749 ( 2.385 1.986 -0.163) 3.108 0.819 ( 0.778 4.045 -4.410) 6.035 0.862 ( 2.217 0.598 -3.113) 3.868 0.920 ( -0.536 0.744 -2.458) 2.623 0.984 ( 1.592 -0.125 -2.264) 2.771 1.024 ( 2.174 1.672 0.737) 2.840 1.076 ( -0.697 1.919 3.132) 3.739 1.163 ( 0.745 0.242 -0.588) 0.979 1.179 ( 0.435 0.695 -0.450) 0.935 1.194 ( -1.920 0.843 2.588) 3.331 1.249 ( -1.307 2.340 0.491) 2.725 1.272 ( -0.889 0.378 -0.968) 1.367 1.308 ( -1.942 2.214 -2.565) 3.905 1.325 ( 3.296 -1.465 0.969) 3.735 1.388 ( 0.927 1.492 0.416) 1.805 1.469 ( -0.683 2.413 -5.073) 5.659 1.506 ( -1.092 -2.188 0.377) 2.474 1.543 ( 0.173 0.661 2.797) 2.879 1.562 ( -1.420 0.827 0.918) 1.882 1.610 ( -1.326 0.498 1.996) 2.447 1.638 ( -1.346 -1.196 0.769) 1.958 1.710 ( -2.074 -2.360 -0.479) 3.178 1.754 ( 0.995 -0.383 -3.166) 3.341 1.836 ( -0.484 12.011 3.342) 12.476 1.958 ( 1.203 -0.768 0.405) 1.484 1.977 ( 0.904 -2.588 1.779) 3.268 2.085 ( 1.805 2.918 -1.223) 3.642 2.678 ( -0.646 1.403 0.768) 1.725 2.789 ( 0.697 0.743 -0.832) 1.316 2.857 ( 1.078 -1.092 -0.770) 1.716 2.893 ( -0.800 -6.321 3.122) 7.095 3.083 ( 0.936 2.131 -0.961) 2.518 3.154 ( 0.387 1.440 0.634) 1.621 3.297 ( 0.991 -2.847 -0.593) 3.072 3.333 ( -2.992 0.798 0.403) 3.123 3.456 ( -2.474 -2.813 0.353) 3.763 3.583 ( 1.480 -1.603 1.374) 2.578 3.614 ( -1.296 -2.435 0.664) 2.837 3.842 ( 2.706 -5.458 -0.351) 6.102 4.275 ( 1.012 1.108 1.647) 2.228 4.312 ( 1.930 0.468 -0.309) 2.010 4.855 ( -0.566 -1.005 -2.877) 3.100 4.924 ( -0.530 0.487 0.412) 0.830 4.939 ( 0.126 -0.759 -3.987) 4.061 4.964 ( 0.597 1.140 -0.743) 1.486 5.847 ( -0.284 3.580 2.635) 4.454 5.884 ( 0.159 2.127 2.029) 2.944 6.320 ( 0.235 -5.827 0.670) 5.870 6.410 ( 1.986 -1.628 -1.466) 2.957 6.443 ( 0.416 0.105 -2.271) 2.311 6.515 ( -1.311 -4.242 -0.200) 4.444 6.567 ( 1.749 -2.532 1.075) 3.260 6.613 ( -2.288 -3.860 4.593) 6.421 6.658 ( 1.260 -2.426 -2.898) 3.984 6.749 ( -1.501 -8.798 -1.968) 9.140 6.801 ( -1.364 -8.986 1.782) 9.262 6.858 ( 0.681 -6.152 -0.048) 6.190 8.349 ( 0.643 1.840 -1.163) 2.270 8.359 ( -0.182 0.765 0.286) 0.837 8.489 ( -0.667 -1.960 -0.117) 2.074 8.521 ( -0.936 -2.291 0.146) 2.479 9.625 ( -0.352 0.974 2.353) 2.571 9.737 ( 2.094 -3.152 -0.191) 3.789 9.836 ( -1.932 -5.572 -0.243) 5.902 9.987 ( 0.274 -7.343 -1.219) 7.449 11.655 ( -0.381 2.077 2.965) 3.640 11.705 ( -0.272 1.335 0.832) 1.596 11.843 ( 0.487 4.112 -2.608) 4.893 11.906 ( 0.917 2.310 -1.903) 3.131 12.515 ( 0.881 4.370 1.591) 4.733 12.585 ( -1.689 2.432 3.069) 4.264 12.663 ( -0.014 1.194 -1.406) 1.844 12.676 ( 1.159 1.768 0.137) 2.118 12.749 ( 3.153 4.053 -2.172) 5.575 12.907 ( 3.706 -0.664 2.695) 4.630 12.977 ( -5.029 4.617 -0.251) 6.831 13.246 ( 0.770 -0.978 -2.183) 2.513 20.726 ( -3.644 1.570 0.481) 3.996 20.942 ( -0.323 2.256 -2.644) 3.491 20.986 ( 0.910 -3.378 1.121) 3.674 21.250 ( 3.245 -6.102 4.062) 8.017 21.511 ( 0.608 2.101 -2.846) 3.590 21.608 ( -1.670 0.522 -2.427) 2.991 21.730 ( 0.286 2.384 4.440) 5.047 21.872 ( -0.661 -2.189 5.064) 5.556 21.945 ( 1.131 -0.582 1.179) 1.734 22.083 ( 1.257 -9.702 -1.951) 9.975 22.195 ( -0.612 2.889 -0.410) 2.982 22.570 ( 1.679 -1.258 -2.668) 3.394 22.757 ( -0.722 0.352 -0.207) 0.830 22.800 ( -0.046 -0.253 0.453) 0.521 22.827 ( -0.013 0.337 -0.615) 0.701 22.974 ( 2.754 -3.570 -2.803) 5.309 ======================= Grid point 105 (53/90) ======================= q-point: ( 0.00 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( -0.837 7.025 3.745) 8.005 0.678 ( 1.075 2.142 2.930) 3.785 0.714 ( -0.336 4.414 0.285) 4.436 0.792 ( -1.577 -0.663 -0.715) 1.854 0.841 ( 3.521 -1.098 -1.902) 4.150 0.867 ( 1.352 0.753 -3.376) 3.714 0.902 ( -0.515 2.197 -0.315) 2.278 0.974 ( 0.374 0.078 0.377) 0.537 1.077 ( -1.000 2.603 -0.408) 2.818 1.114 ( 0.842 0.065 1.511) 1.731 1.156 ( -0.640 1.085 -1.947) 2.319 1.196 ( 2.064 -1.864 -0.191) 2.787 1.228 ( -0.372 0.570 -0.572) 0.889 1.233 ( -1.298 2.601 0.511) 2.951 1.273 ( -1.603 0.963 -0.190) 1.879 1.344 ( 1.516 -2.109 -4.141) 4.888 1.357 ( 0.407 2.531 0.860) 2.704 1.413 ( 0.618 0.992 -1.583) 1.968 1.493 ( 0.378 1.127 2.220) 2.518 1.503 ( 1.360 2.978 -1.180) 3.480 1.533 ( -1.078 -1.395 0.571) 1.853 1.557 ( -0.491 -0.490 0.156) 0.711 1.581 ( -1.428 0.329 1.931) 2.424 1.631 ( -1.562 -0.677 0.299) 1.728 1.647 ( 1.650 -0.958 -0.275) 1.927 1.713 ( 0.770 -1.958 -1.336) 2.493 1.954 ( -0.341 -0.798 1.265) 1.534 1.955 ( 0.262 -0.612 0.790) 1.033 2.073 ( -0.383 4.850 1.473) 5.083 2.112 ( 0.110 0.088 -1.071) 1.080 2.708 ( -0.400 0.561 2.195) 2.301 2.783 ( -0.551 -4.847 2.380) 5.428 2.798 ( 0.047 0.678 -1.058) 1.258 2.849 ( 0.394 -2.085 -0.482) 2.176 3.136 ( 2.036 1.824 0.812) 2.852 3.194 ( -2.002 1.772 -1.906) 3.283 3.267 ( 1.521 -0.176 2.353) 2.807 3.352 ( -0.250 2.015 -0.945) 2.240 3.410 ( -0.494 0.162 -0.603) 0.796 3.484 ( -1.181 -3.846 -3.768) 5.512 3.626 ( -0.503 -0.566 4.852) 4.911 3.738 ( 1.006 -6.480 0.935) 6.624 4.332 ( 0.763 2.037 1.449) 2.614 4.365 ( 0.053 1.900 2.052) 2.797 4.780 ( -0.909 -0.515 -5.853) 5.946 4.828 ( -0.587 -2.191 -7.791) 8.114 4.964 ( -0.750 2.525 0.949) 2.799 5.000 ( 0.694 1.402 -0.375) 1.609 5.927 ( -0.169 1.118 4.361) 4.505 5.951 ( 0.884 -0.189 4.780) 4.864 6.233 ( 0.913 -4.104 0.757) 4.272 6.341 ( 0.690 -6.800 -3.201) 7.547 6.412 ( 0.167 -1.083 0.929) 1.437 6.444 ( 1.259 -5.027 0.616) 5.219 6.517 ( -2.476 -1.969 1.355) 3.441 6.542 ( -0.095 -2.535 -0.021) 2.537 6.576 ( 0.064 -0.986 1.889) 2.132 6.625 ( -0.692 -4.860 1.637) 5.175 6.717 ( 0.030 1.592 -3.507) 3.851 6.777 ( -0.032 -2.140 -2.803) 3.527 8.355 ( -0.389 0.131 -0.714) 0.824 8.371 ( 0.003 0.021 -1.349) 1.349 8.467 ( 0.443 0.048 1.026) 1.119 8.491 ( 0.068 -0.561 0.355) 0.668 9.673 ( -0.155 1.680 1.499) 2.257 9.721 ( 1.287 -1.926 1.514) 2.767 9.731 ( -0.167 -2.802 -0.566) 2.864 9.831 ( -0.890 -5.711 -2.196) 6.183 11.722 ( -0.102 1.488 3.878) 4.155 11.737 ( -0.511 0.842 2.674) 2.849 11.887 ( 0.676 2.605 -3.759) 4.623 11.921 ( 0.442 0.874 -3.522) 3.656 12.599 ( -0.851 2.124 2.159) 3.146 12.623 ( -1.511 1.503 1.721) 2.739 12.657 ( 0.105 -0.054 -1.371) 1.377 12.675 ( -0.001 -0.285 -1.623) 1.648 12.859 ( 1.053 2.815 0.719) 3.090 12.940 ( 1.994 -1.221 0.565) 2.405 13.035 ( -1.692 5.096 1.705) 5.634 13.186 ( 0.386 -2.380 -2.785) 3.684 20.768 ( 0.156 3.397 1.399) 3.677 20.896 ( -0.885 -1.402 -4.714) 4.996 20.991 ( 2.092 -0.679 4.786) 5.267 21.151 ( -1.728 -7.026 2.399) 7.623 21.505 ( -0.071 0.420 -4.154) 4.176 21.565 ( -0.069 -0.127 -5.596) 5.598 21.789 ( -1.540 -5.238 1.792) 5.746 21.845 ( 1.359 -5.392 -0.006) 5.561 21.936 ( 0.343 1.723 9.866) 10.022 22.036 ( 2.234 -0.398 9.638) 9.902 22.288 ( -1.039 7.836 -4.936) 9.319 22.483 ( -0.998 -2.232 -7.005) 7.419 22.765 ( -0.212 0.917 0.061) 0.943 22.806 ( -0.422 -0.880 -0.027) 0.976 22.828 ( 0.522 1.320 -0.685) 1.576 22.898 ( 0.231 -2.420 -2.477) 3.471 ======================= Grid point 106 (54/90) ======================= q-point: ( 0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -1.694 5.099 2.585) 5.963 0.692 ( -0.273 4.386 1.903) 4.789 0.742 ( -1.427 -1.427 -0.239) 2.032 0.774 ( 2.706 1.080 1.816) 3.434 0.843 ( 1.820 2.525 -5.172) 6.036 0.876 ( 3.031 0.206 -1.960) 3.616 0.922 ( 0.537 3.353 2.221) 4.058 0.983 ( -0.434 0.768 0.215) 0.908 1.024 ( -2.858 4.878 -2.895) 6.352 1.117 ( -2.775 0.225 1.451) 3.139 1.141 ( 0.914 0.514 -0.896) 1.379 1.169 ( -1.619 -0.264 0.649) 1.764 1.218 ( -1.355 -0.398 -0.429) 1.476 1.266 ( 2.233 -0.562 -0.049) 2.303 1.277 ( 1.230 0.500 1.845) 2.273 1.295 ( 0.886 -0.321 -5.361) 5.444 1.367 ( -0.167 1.642 0.382) 1.694 1.413 ( 0.467 -0.123 -1.552) 1.626 1.499 ( -0.711 1.161 -0.222) 1.380 1.527 ( -0.800 0.984 0.300) 1.303 1.529 ( 0.143 0.093 1.633) 1.642 1.558 ( 0.411 -1.391 0.710) 1.615 1.596 ( 1.136 0.483 0.721) 1.430 1.630 ( 0.715 1.810 2.077) 2.846 1.672 ( 2.220 -1.843 -1.261) 3.149 1.712 ( 1.294 -0.323 -1.655) 2.125 1.945 ( -1.558 -0.456 0.553) 1.715 1.956 ( -0.866 -0.296 0.381) 0.992 2.070 ( -1.563 2.296 0.767) 2.882 2.106 ( -0.261 -0.620 -0.145) 0.688 2.729 ( -0.038 0.711 2.378) 2.483 2.782 ( -0.014 0.348 -1.200) 1.249 2.801 ( -0.422 -2.905 1.510) 3.301 2.850 ( 0.432 -3.630 -0.482) 3.687 3.129 ( -2.703 3.397 -1.917) 4.745 3.187 ( 2.285 0.917 1.270) 2.770 3.312 ( 0.087 -1.414 2.273) 2.678 3.332 ( -0.537 -0.455 -1.856) 1.985 3.399 ( -0.026 -0.277 0.411) 0.496 3.448 ( 0.626 -2.599 -2.137) 3.422 3.652 ( -1.428 0.035 3.418) 3.705 3.754 ( 0.521 -4.262 -0.242) 4.300 4.359 ( -0.061 2.286 2.379) 3.300 4.371 ( -0.871 2.513 0.169) 2.665 4.721 ( -0.256 -1.620 -3.059) 3.471 4.748 ( -0.324 -2.139 -5.346) 5.767 4.956 ( -1.047 2.630 0.607) 2.895 5.006 ( 0.592 1.045 -0.470) 1.290 5.965 ( -0.255 1.384 3.327) 3.613 5.997 ( 0.212 0.105 1.722) 1.738 6.262 ( 1.558 -4.730 0.655) 5.023 6.319 ( 0.789 -5.018 -2.833) 5.816 6.432 ( 0.059 -0.094 1.835) 1.838 6.452 ( -0.230 -5.035 0.082) 5.041 6.512 ( -1.427 -0.260 2.513) 2.902 6.538 ( -0.049 -4.491 -0.530) 4.522 6.576 ( -0.936 0.517 0.393) 1.139 6.639 ( 0.231 -4.022 0.870) 4.122 6.693 ( 0.942 -0.464 -2.063) 2.315 6.753 ( 0.537 -4.215 -2.082) 4.732 8.343 ( -0.454 0.076 -0.210) 0.506 8.358 ( -0.091 -0.292 -0.955) 1.003 8.488 ( 0.721 -0.133 1.011) 1.248 8.496 ( 0.598 0.022 -0.427) 0.736 9.681 ( -0.656 -0.108 1.152) 1.330 9.725 ( 0.260 -1.696 -0.903) 1.939 9.763 ( 0.999 -3.395 2.223) 4.179 9.792 ( -0.379 -4.055 -2.314) 4.684 11.755 ( -1.122 1.850 3.030) 3.723 11.763 ( -0.219 1.276 4.090) 4.290 11.860 ( 0.841 1.992 -3.776) 4.351 11.887 ( 0.464 0.642 -4.033) 4.110 12.601 ( -1.549 1.893 2.009) 3.165 12.617 ( -0.976 1.492 1.549) 2.362 12.641 ( -0.554 0.221 -1.038) 1.197 12.669 ( 0.484 -0.722 -0.820) 1.195 12.849 ( -2.143 3.958 0.205) 4.505 12.959 ( 0.284 -1.485 -0.824) 1.722 13.059 ( 1.428 4.151 2.595) 5.099 13.178 ( 2.124 -1.188 -2.699) 3.634 20.802 ( 1.517 1.896 2.078) 3.196 20.842 ( -0.177 -0.063 -3.303) 3.309 21.085 ( -1.756 -1.462 1.151) 2.558 21.101 ( 0.193 -3.448 3.053) 4.609 21.449 ( -3.134 -0.968 -3.347) 4.686 21.547 ( 3.149 -3.535 -2.306) 5.266 21.772 ( -2.516 -4.915 1.441) 5.707 21.840 ( -1.472 -8.105 -0.522) 8.254 22.060 ( 1.704 5.790 10.076) 11.745 22.172 ( 0.794 1.323 9.634) 9.756 22.231 ( 1.813 5.146 -5.070) 7.448 22.372 ( -1.330 -0.595 -10.672) 10.771 22.767 ( 0.028 0.441 0.544) 0.700 22.791 ( -0.226 -0.509 -0.950) 1.101 22.835 ( -0.032 0.468 0.558) 0.729 22.870 ( -0.520 -0.981 -2.115) 2.389 ======================= Grid point 107 (55/90) ======================= q-point: ( 0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.617 ( -0.459 3.213 0.894) 3.366 0.693 ( -1.206 0.972 -0.101) 1.552 0.730 ( 0.145 1.881 -0.129) 1.891 0.824 ( 2.377 4.741 -5.429) 7.589 0.847 ( 2.666 -0.007 2.196) 3.454 0.895 ( 1.304 3.211 -2.694) 4.389 0.916 ( -2.019 3.677 -0.144) 4.197 0.963 ( -1.550 -0.091 0.779) 1.738 0.981 ( 0.919 5.003 -0.898) 5.166 1.082 ( -2.299 -0.041 0.527) 2.359 1.135 ( -2.555 -0.818 1.152) 2.919 1.166 ( 0.777 0.831 -0.733) 1.354 1.197 ( -0.832 -2.385 0.619) 2.601 1.236 ( -1.120 -2.742 -2.524) 3.892 1.332 ( 2.990 0.946 1.348) 3.413 1.344 ( 3.287 1.141 2.996) 4.591 1.362 ( 0.280 1.852 -1.100) 2.172 1.396 ( -0.245 0.972 -1.264) 1.613 1.472 ( -1.238 2.955 -1.985) 3.769 1.509 ( -1.503 1.375 0.281) 2.056 1.533 ( 0.091 -1.782 0.223) 1.798 1.569 ( -0.464 -1.412 0.839) 1.707 1.620 ( 1.040 -0.070 0.230) 1.067 1.687 ( 1.612 -2.540 -1.340) 3.293 1.690 ( 3.013 1.951 1.768) 4.002 1.732 ( 2.315 0.007 -0.554) 2.380 1.919 ( -1.889 -0.768 -0.016) 2.039 1.941 ( -1.174 -0.549 -0.146) 1.305 2.044 ( -2.222 1.574 0.868) 2.858 2.095 ( -0.798 0.152 -0.281) 0.860 2.749 ( -0.208 0.982 1.721) 1.993 2.772 ( 0.375 0.365 -1.368) 1.465 2.800 ( -0.890 -0.875 0.676) 1.419 2.854 ( 0.524 -4.415 -0.618) 4.489 3.083 ( -1.065 2.033 -0.582) 2.368 3.221 ( 0.786 -0.823 -0.070) 1.140 3.286 ( -1.223 -0.605 -2.329) 2.700 3.322 ( -1.308 -1.336 1.394) 2.333 3.424 ( 0.674 -1.237 2.177) 2.593 3.458 ( 1.563 -2.276 0.189) 2.768 3.651 ( -1.405 1.495 0.888) 2.236 3.749 ( 0.212 -2.819 -1.818) 3.361 4.342 ( -0.918 2.783 -2.371) 3.769 4.369 ( -0.858 2.020 0.552) 2.263 4.714 ( 0.193 -1.560 1.630) 2.265 4.728 ( 0.544 -1.723 1.517) 2.359 4.946 ( -0.959 2.544 0.841) 2.846 5.009 ( 0.397 0.582 -0.614) 0.935 5.983 ( -0.246 0.959 0.836) 1.296 5.993 ( -0.416 0.482 -1.602) 1.724 6.283 ( 0.999 -4.634 -1.095) 4.865 6.306 ( 1.377 -3.349 -3.530) 5.057 6.427 ( 0.308 -2.406 -1.906) 3.085 6.463 ( -1.147 -3.662 0.994) 3.964 6.499 ( -1.686 1.714 1.047) 2.622 6.539 ( -0.363 -2.035 3.009) 3.650 6.576 ( 0.431 -0.467 0.493) 0.804 6.642 ( -0.318 -4.201 0.410) 4.233 6.707 ( 1.184 -3.195 0.843) 3.510 6.754 ( 1.108 -4.671 -0.550) 4.832 8.338 ( -0.294 0.531 0.309) 0.681 8.352 ( -0.072 -0.567 0.403) 0.700 8.494 ( 0.493 0.170 -1.136) 1.250 8.512 ( 0.813 -0.723 0.320) 1.134 9.669 ( -1.071 -1.023 -0.280) 1.508 9.726 ( 0.763 -1.659 -0.477) 1.888 9.761 ( -0.198 -3.147 -1.266) 3.398 9.809 ( 0.767 -3.512 1.864) 4.050 11.752 ( -1.326 2.575 0.217) 2.904 11.783 ( -1.067 0.928 0.772) 1.611 11.848 ( 1.148 1.620 -0.647) 2.088 11.871 ( 1.055 0.497 -1.021) 1.550 12.594 ( -1.188 2.033 1.045) 2.576 12.619 ( -1.032 1.102 -0.154) 1.517 12.631 ( -0.052 0.870 2.415) 2.568 12.661 ( -1.035 -0.176 -0.108) 1.056 12.819 ( -0.775 4.178 -1.189) 4.413 12.934 ( -0.940 -1.448 -2.416) 2.969 13.116 ( 2.056 3.406 2.420) 4.657 13.192 ( 2.011 0.107 -1.377) 2.440 20.826 ( 1.455 0.583 -0.782) 1.752 20.852 ( 1.198 -1.008 2.082) 2.605 20.990 ( -3.440 1.535 -3.306) 5.012 21.193 ( 1.084 -5.670 2.790) 6.411 21.369 ( -2.481 1.224 0.007) 2.766 21.588 ( 3.024 -5.522 -0.116) 6.297 21.743 ( -2.431 -4.346 1.148) 5.110 21.794 ( -3.217 -6.925 -0.409) 7.647 22.121 ( 0.996 5.067 -5.670) 7.669 22.211 ( -1.556 1.870 -6.460) 6.903 22.242 ( 2.624 4.518 2.535) 5.807 22.328 ( 1.046 1.202 8.401) 8.551 22.772 ( 0.074 0.366 0.220) 0.433 22.789 ( 0.068 -0.407 0.773) 0.876 22.833 ( -0.300 -0.046 -0.335) 0.452 22.845 ( -0.578 -0.562 -0.852) 1.173 ======================= Grid point 108 (56/90) ======================= q-point: ( 0.43 0.40 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.621 ( -0.362 2.858 0.185) 2.887 0.670 ( -0.627 0.886 -1.177) 1.602 0.714 ( 0.313 3.588 -2.986) 4.678 0.776 ( -0.156 6.104 -6.409) 8.852 0.878 ( 1.514 1.561 -0.340) 2.201 0.915 ( 2.197 3.093 2.161) 4.367 0.924 ( 0.160 0.287 1.459) 1.495 0.953 ( -0.382 0.533 0.497) 0.823 0.990 ( 1.023 3.657 -1.607) 4.123 1.069 ( -0.695 -1.576 1.820) 2.506 1.102 ( -2.502 0.826 0.973) 2.809 1.164 ( 0.175 -1.114 -0.984) 1.497 1.180 ( -1.011 -4.033 -2.038) 4.631 1.201 ( -0.386 -2.624 -1.397) 2.998 1.356 ( 0.180 3.111 0.334) 3.134 1.375 ( -0.236 3.302 0.043) 3.311 1.398 ( 0.652 2.557 0.476) 2.681 1.412 ( 2.658 0.648 -0.790) 2.848 1.457 ( 1.327 2.163 1.842) 3.136 1.491 ( -1.647 0.359 1.723) 2.411 1.538 ( 0.510 -1.523 -0.224) 1.621 1.564 ( -0.989 -1.055 0.377) 1.495 1.631 ( 0.295 -0.280 0.128) 0.426 1.691 ( 0.711 -1.416 -1.600) 2.252 1.747 ( 1.671 -0.378 1.305) 2.154 1.762 ( 1.338 -0.120 0.074) 1.345 1.885 ( -1.310 -0.831 -1.190) 1.955 1.916 ( -0.848 -1.236 -1.437) 2.076 2.029 ( -1.504 2.824 2.138) 3.848 2.082 ( -0.158 0.882 -0.318) 0.951 2.753 ( -0.863 1.262 0.582) 1.636 2.767 ( 0.526 0.099 -1.001) 1.135 2.794 ( -0.465 0.155 0.643) 0.809 2.849 ( 0.169 -3.634 -1.332) 3.875 3.084 ( 0.483 0.524 1.089) 1.301 3.228 ( 1.213 -2.073 -0.014) 2.402 3.243 ( -1.369 0.584 -2.468) 2.882 3.313 ( -0.981 -1.565 0.395) 1.889 3.456 ( -0.666 -2.424 3.473) 4.288 3.484 ( 0.928 -2.390 0.984) 2.746 3.629 ( -0.777 2.407 -1.351) 2.868 3.725 ( 0.144 -2.534 -3.422) 4.261 4.307 ( -0.052 2.722 -2.411) 3.637 4.347 ( -0.753 1.921 -1.755) 2.709 4.760 ( 0.334 -0.943 5.858) 5.942 4.780 ( 0.864 -1.293 5.653) 5.863 4.945 ( -0.562 2.273 1.252) 2.655 5.005 ( 0.248 0.327 -1.032) 1.111 5.957 ( -0.833 1.216 -3.039) 3.378 5.974 ( 0.071 0.427 -2.551) 2.588 6.275 ( 0.138 -3.234 -2.280) 3.959 6.289 ( 1.485 -3.812 -3.654) 5.485 6.407 ( -0.326 -1.846 -2.501) 3.126 6.436 ( -0.808 -4.445 -1.287) 4.697 6.498 ( -0.713 0.180 2.515) 2.621 6.579 ( 0.012 -0.488 3.667) 3.700 6.593 ( 0.198 -1.273 1.447) 1.938 6.641 ( -0.338 -5.164 0.264) 5.181 6.736 ( 0.311 -3.226 2.019) 3.818 6.770 ( 0.862 -3.176 0.340) 3.308 8.340 ( -0.140 0.957 0.897) 1.319 8.366 ( 0.222 -0.502 1.774) 1.857 8.486 ( 0.294 0.027 -1.581) 1.608 8.519 ( 0.255 -1.365 -0.552) 1.494 9.655 ( -0.182 -0.432 -0.194) 0.507 9.726 ( 0.270 0.683 -2.120) 2.243 9.756 ( 0.410 -5.278 0.949) 5.378 9.827 ( -0.433 -4.115 0.802) 4.214 11.724 ( -1.191 2.343 -1.363) 2.960 11.756 ( -0.665 0.536 -2.145) 2.309 11.876 ( 0.955 1.720 1.806) 2.671 11.891 ( 1.116 0.866 0.972) 1.715 12.582 ( -1.148 2.412 0.624) 2.743 12.600 ( -1.636 1.310 0.400) 2.134 12.647 ( -0.870 1.318 1.201) 1.984 12.668 ( 1.256 0.458 2.449) 2.790 12.797 ( 0.203 3.316 -2.410) 4.104 12.890 ( -0.409 -0.760 -3.939) 4.033 13.162 ( 0.235 2.731 2.423) 3.658 13.211 ( 1.557 0.915 -0.477) 1.868 20.860 ( 1.784 -1.810 1.260) 2.837 20.880 ( -0.503 -2.048 1.882) 2.827 20.935 ( 0.130 3.629 -1.265) 3.845 21.143 ( -2.727 -4.585 -6.435) 8.359 21.413 ( 0.609 0.999 8.029) 8.114 21.637 ( 2.968 -5.357 0.401) 6.137 21.720 ( -1.534 -2.591 0.281) 3.024 21.747 ( -2.544 -6.431 1.263) 7.030 22.037 ( -0.632 3.347 -11.120) 11.630 22.082 ( -0.422 1.222 -10.412) 10.492 22.362 ( 2.479 5.046 7.521) 9.390 22.413 ( -0.888 2.417 7.139) 7.589 22.778 ( 0.166 0.227 0.613) 0.674 22.799 ( -0.577 -0.557 1.476) 1.680 22.827 ( 0.204 -0.095 -0.751) 0.784 22.837 ( 0.359 -0.467 -0.043) 0.591 ======================= Grid point 109 (57/90) ======================= q-point: (-0.43 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.599 ( -1.615 5.200 -0.775) 5.500 0.643 ( -0.148 4.209 -2.046) 4.682 0.711 ( 1.428 1.225 -1.345) 2.313 0.723 ( 1.064 4.363 -4.264) 6.192 0.899 ( 0.850 -0.153 -0.243) 0.898 0.933 ( -1.241 0.998 1.269) 2.036 0.954 ( 1.754 1.575 -2.032) 3.113 0.967 ( -0.340 -0.333 0.950) 1.063 1.001 ( 2.617 4.351 1.706) 5.356 1.058 ( -2.432 0.226 -1.015) 2.645 1.093 ( 0.511 -1.884 1.488) 2.454 1.144 ( 1.020 -2.837 -1.872) 3.549 1.171 ( 0.931 -1.346 0.048) 1.637 1.199 ( 1.311 -2.454 -1.284) 3.065 1.343 ( -1.425 3.068 0.053) 3.383 1.371 ( -1.638 3.409 0.236) 3.790 1.393 ( 0.819 2.364 -0.260) 2.515 1.447 ( 0.722 0.540 -0.665) 1.120 1.477 ( -0.119 0.367 1.827) 1.868 1.517 ( 0.504 0.118 2.222) 2.281 1.541 ( -1.115 -0.533 -0.792) 1.468 1.551 ( 0.879 -0.367 0.228) 0.980 1.635 ( -0.336 0.352 0.580) 0.757 1.668 ( -1.565 -0.006 -1.326) 2.051 1.759 ( -1.597 -0.879 0.567) 1.909 1.770 ( -0.745 -1.232 0.466) 1.514 1.875 ( 1.176 -0.874 -0.401) 1.519 1.892 ( 0.588 -1.193 -2.056) 2.449 2.034 ( -0.357 4.478 1.419) 4.711 2.089 ( 1.084 1.004 0.117) 1.482 2.734 ( -1.652 0.878 0.081) 1.872 2.771 ( 0.683 -0.275 -0.253) 0.779 2.797 ( -0.184 -0.168 0.402) 0.474 2.837 ( 0.299 -2.431 -1.311) 2.778 3.114 ( 1.188 1.462 2.376) 3.033 3.189 ( -1.479 1.499 -3.251) 3.873 3.274 ( 2.984 -3.202 1.352) 4.581 3.293 ( -0.684 -1.752 -1.442) 2.369 3.463 ( -2.132 -1.079 2.747) 3.641 3.513 ( 0.127 -2.925 2.362) 3.762 3.610 ( 0.079 0.859 -0.654) 1.083 3.687 ( 0.469 -3.293 -4.822) 5.858 4.295 ( 0.785 2.568 -1.030) 2.876 4.319 ( 0.007 2.201 -2.270) 3.162 4.827 ( -0.086 -0.348 6.095) 6.105 4.860 ( 1.253 -1.101 5.958) 6.188 4.951 ( -0.333 1.891 1.018) 2.173 4.996 ( 0.294 0.404 -1.617) 1.692 5.909 ( -0.953 1.358 -3.103) 3.519 5.938 ( -0.139 0.187 -4.096) 4.102 6.253 ( -0.347 -2.457 -1.599) 2.952 6.282 ( 1.449 -4.193 -2.020) 4.874 6.386 ( 0.569 -2.965 -1.015) 3.185 6.417 ( 0.775 -5.183 -2.247) 5.702 6.518 ( -1.229 -0.686 3.809) 4.061 6.589 ( -1.533 0.451 0.396) 1.647 6.612 ( 0.570 -2.580 1.086) 2.857 6.634 ( -0.997 -6.351 0.289) 6.435 6.757 ( -0.168 -0.935 1.877) 2.104 6.788 ( 0.538 -1.580 0.965) 1.928 8.352 ( 0.054 1.189 1.604) 1.997 8.386 ( 0.096 0.219 1.217) 1.240 8.473 ( -0.142 -0.672 -0.986) 1.202 8.510 ( -0.193 -1.730 -1.304) 2.175 9.657 ( 0.114 0.825 0.216) 0.860 9.701 ( 0.005 0.841 -2.407) 2.550 9.784 ( 0.374 -5.741 1.909) 6.061 9.816 ( -0.568 -4.739 -0.289) 4.782 11.694 ( -0.885 2.041 -0.858) 2.385 11.729 ( -0.269 0.234 -1.527) 1.568 11.905 ( 0.814 1.921 0.875) 2.263 11.919 ( 1.174 1.165 0.620) 1.767 12.574 ( -1.247 2.724 1.052) 3.175 12.586 ( -0.784 2.117 1.968) 2.994 12.657 ( 0.496 1.677 1.024) 2.027 12.709 ( 0.962 -0.677 0.983) 1.533 12.780 ( 0.800 2.912 -1.559) 3.398 12.846 ( 0.607 0.011 -4.656) 4.695 13.167 ( -2.234 3.017 1.729) 4.133 13.231 ( 1.002 0.313 -0.110) 1.056 20.869 ( -2.802 -0.170 1.150) 3.034 20.900 ( 0.836 -1.682 3.561) 4.026 20.968 ( 3.900 -0.900 -0.768) 4.075 21.030 ( -2.381 -2.815 -6.464) 7.442 21.503 ( 0.299 1.624 7.362) 7.545 21.690 ( 0.363 -2.836 3.100) 4.217 21.706 ( 2.570 -1.817 -2.502) 4.021 21.748 ( -0.882 -7.228 3.787) 8.207 21.899 ( -1.722 3.532 -10.772) 11.466 21.983 ( 0.171 -1.200 -9.079) 9.159 22.424 ( -2.875 4.993 4.576) 7.358 22.479 ( 2.308 2.404 4.351) 5.481 22.787 ( -0.417 -0.204 1.010) 1.111 22.797 ( -0.906 -0.624 0.872) 1.404 22.829 ( 0.716 0.527 -0.291) 0.936 22.855 ( 1.792 -0.689 -0.054) 1.921 ======================= Grid point 110 (58/90) ======================= q-point: (-0.29 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.572 ( -0.935 7.120 0.546) 7.202 0.638 ( 0.353 2.544 -0.628) 2.644 0.695 ( 1.500 6.792 -1.895) 7.209 0.753 ( 2.600 -1.502 0.402) 3.029 0.883 ( -2.200 0.704 -1.694) 2.864 0.899 ( -1.681 -0.240 -1.539) 2.292 0.962 ( 1.100 2.312 -1.615) 3.027 0.966 ( 1.440 -0.017 -0.434) 1.504 1.025 ( -0.225 -1.162 -1.048) 1.581 1.071 ( 1.958 2.793 3.102) 4.611 1.115 ( 0.519 -1.311 0.941) 1.696 1.174 ( 1.883 -1.643 -0.480) 2.544 1.198 ( 2.880 -1.205 0.362) 3.143 1.204 ( 1.661 -2.072 -1.373) 2.989 1.323 ( -1.526 3.217 0.972) 3.691 1.351 ( -1.536 2.702 0.568) 3.159 1.395 ( -0.197 1.917 -1.099) 2.218 1.424 ( -0.876 1.198 -2.042) 2.525 1.492 ( -1.422 -0.253 1.022) 1.769 1.513 ( 0.000 -0.196 0.638) 0.667 1.533 ( 0.580 0.880 -0.646) 1.236 1.576 ( 0.540 -0.651 0.941) 1.265 1.622 ( -1.559 0.464 -0.663) 1.756 1.635 ( -1.548 -0.269 0.694) 1.717 1.719 ( -3.350 -0.962 0.106) 3.487 1.749 ( -1.527 -1.941 -0.673) 2.560 1.887 ( 1.512 -0.298 -0.474) 1.612 1.913 ( 2.084 -1.138 0.372) 2.403 2.044 ( 0.233 6.078 0.846) 6.141 2.111 ( 1.287 0.923 -0.114) 1.588 2.710 ( -1.513 0.660 0.493) 1.722 2.774 ( -0.741 -2.887 0.749) 3.073 2.798 ( 0.515 0.144 -0.153) 0.556 2.837 ( 0.760 -1.093 -0.574) 1.450 3.137 ( -0.878 1.457 -2.751) 3.234 3.169 ( 1.860 2.073 2.910) 4.028 3.255 ( -0.676 -1.082 -2.220) 2.561 3.339 ( 2.625 -2.141 0.192) 3.393 3.454 ( -1.845 0.054 1.799) 2.577 3.530 ( -0.874 -0.635 3.288) 3.461 3.604 ( -1.103 -1.591 -1.620) 2.524 3.665 ( 2.447 -6.242 -1.901) 6.969 4.304 ( 0.753 2.473 -1.503) 2.990 4.309 ( 1.124 1.841 0.365) 2.188 4.869 ( -0.454 0.510 2.314) 2.413 4.923 ( 1.035 -1.335 1.530) 2.279 4.952 ( -0.279 1.764 0.545) 1.868 4.985 ( 0.390 0.677 -1.263) 1.485 5.875 ( -0.614 0.965 -0.350) 1.196 5.900 ( -0.445 -0.193 -1.749) 1.816 6.229 ( -0.553 -2.624 -1.100) 2.898 6.302 ( 2.281 -4.431 -0.282) 4.992 6.398 ( 1.606 -4.576 -1.175) 4.989 6.419 ( 1.403 -5.544 -0.764) 5.770 6.528 ( -1.861 0.155 2.569) 3.176 6.560 ( -1.538 -0.880 0.262) 1.791 6.606 ( -1.695 -3.724 -0.807) 4.170 6.629 ( -0.749 -5.237 1.597) 5.526 6.765 ( -0.298 0.933 0.200) 1.000 6.802 ( 0.362 -0.722 0.159) 0.823 8.369 ( -0.096 1.027 1.267) 1.634 8.389 ( 0.009 1.161 -0.603) 1.308 8.464 ( -0.581 -1.307 0.142) 1.437 8.493 ( -0.247 -1.790 -0.920) 2.028 9.655 ( -0.311 2.519 -0.023) 2.538 9.691 ( 0.651 -0.233 -0.786) 1.047 9.773 ( -1.554 -4.296 -0.523) 4.598 9.835 ( 1.189 -6.398 1.168) 6.612 11.681 ( -0.471 1.842 0.603) 1.994 11.717 ( -0.148 0.110 -0.093) 0.206 11.918 ( 0.705 2.303 -0.905) 2.573 11.938 ( 1.078 1.205 -0.567) 1.714 12.573 ( -0.441 3.255 1.470) 3.598 12.605 ( -0.712 1.448 3.369) 3.735 12.679 ( 1.111 1.152 0.562) 1.696 12.704 ( -0.325 0.121 -1.982) 2.012 12.797 ( 1.573 1.941 -1.223) 2.782 12.832 ( 2.771 0.116 -1.574) 3.189 13.131 ( -3.706 3.822 0.961) 5.410 13.234 ( -0.191 -1.111 -0.656) 1.305 20.822 ( -3.608 1.907 0.355) 4.096 20.947 ( -0.965 -2.149 -3.177) 3.955 20.960 ( 1.152 -0.246 2.588) 2.843 21.020 ( 3.486 -6.058 -0.061) 6.990 21.563 ( -0.185 2.726 3.735) 4.628 21.707 ( 1.495 0.084 -2.590) 2.992 21.732 ( -0.144 2.104 -1.400) 2.531 21.784 ( -0.538 -7.181 4.873) 8.695 21.805 ( 1.190 -1.276 -1.466) 2.279 21.911 ( 0.691 -3.596 -5.321) 6.459 22.402 ( -3.289 6.950 1.349) 7.806 22.540 ( 1.300 -0.257 1.257) 1.827 22.780 ( -0.970 0.338 0.573) 1.177 22.796 ( -0.149 -0.196 0.264) 0.361 22.837 ( 0.587 0.618 -0.384) 0.935 22.887 ( 2.274 -1.954 -0.567) 3.051 ======================= Grid point 111 (59/90) ======================= q-point: (-0.14 0.40 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.582 ( -0.408 7.040 2.769) 7.575 0.637 ( 0.719 2.881 0.364) 2.992 0.717 ( 0.450 5.215 0.982) 5.325 0.799 ( 2.085 -1.405 0.803) 2.639 0.823 ( -0.681 2.300 -3.042) 3.874 0.873 ( -0.170 -1.638 -0.951) 1.902 0.946 ( -0.303 0.938 -4.209) 4.323 0.972 ( -0.176 -0.176 0.053) 0.254 1.044 ( 2.975 1.331 0.574) 3.309 1.110 ( -1.583 0.975 2.613) 3.208 1.143 ( 3.298 -1.184 0.057) 3.504 1.174 ( 0.721 -0.791 -1.967) 2.240 1.210 ( 0.931 0.231 0.002) 0.959 1.282 ( 2.688 -2.013 0.187) 3.363 1.296 ( -2.616 2.336 1.610) 3.859 1.328 ( -1.645 2.040 -0.752) 2.726 1.357 ( -0.276 3.559 -1.163) 3.754 1.420 ( 1.127 0.984 -1.144) 1.883 1.479 ( -0.515 0.025 0.600) 0.791 1.516 ( 0.162 2.589 -3.073) 4.022 1.535 ( 0.326 -0.753 0.771) 1.126 1.571 ( -1.416 0.198 0.072) 1.431 1.595 ( -1.910 -1.789 1.389) 2.963 1.630 ( 0.120 0.051 0.384) 0.406 1.666 ( -2.917 -1.079 0.019) 3.110 1.720 ( -0.487 -2.425 -1.015) 2.673 1.921 ( 1.520 -0.527 1.656) 2.309 1.944 ( 1.065 -1.194 0.390) 1.647 2.059 ( 0.197 6.613 1.298) 6.742 2.120 ( 0.601 0.812 -1.113) 1.503 2.700 ( -0.952 0.572 1.458) 1.833 2.772 ( -0.926 -4.698 1.855) 5.136 2.804 ( 0.366 0.573 -0.551) 0.875 2.845 ( 0.671 -1.189 -0.343) 1.408 3.114 ( 0.589 1.640 -1.039) 2.029 3.217 ( 0.668 -3.267 1.181) 3.538 3.234 ( 0.434 4.834 -0.637) 4.895 3.358 ( 0.633 1.009 -0.819) 1.446 3.433 ( -1.827 0.028 -0.018) 1.828 3.547 ( -1.308 -2.794 -4.131) 5.156 3.573 ( 0.110 -0.814 5.360) 5.423 3.704 ( 1.898 -7.403 1.087) 7.719 4.310 ( 1.068 2.068 -0.245) 2.341 4.337 ( 0.829 1.616 1.671) 2.468 4.849 ( -0.912 0.495 -3.758) 3.898 4.905 ( -0.007 -1.644 -5.617) 5.853 4.959 ( -0.268 2.008 1.292) 2.403 4.991 ( 0.606 1.167 0.194) 1.329 5.889 ( -0.072 0.675 3.686) 3.748 5.897 ( 0.043 -0.294 2.404) 2.423 6.220 ( 0.190 -3.233 -0.021) 3.239 6.338 ( 2.595 -5.992 -1.196) 6.639 6.409 ( 1.206 -4.195 -1.032) 4.485 6.425 ( -0.313 -4.465 0.187) 4.480 6.530 ( 0.819 -0.023 0.686) 1.069 6.551 ( -1.844 -1.928 1.527) 3.074 6.565 ( -2.116 -3.405 0.448) 4.034 6.628 ( -1.445 -4.843 1.686) 5.328 6.750 ( -0.269 1.814 -2.109) 2.795 6.800 ( 0.130 -0.975 -1.559) 1.843 8.368 ( -0.329 0.505 -0.538) 0.808 8.383 ( 0.056 0.882 -0.858) 1.232 8.458 ( -0.202 -0.742 0.266) 0.813 8.488 ( -0.260 -1.292 0.537) 1.423 9.658 ( 0.242 2.346 0.845) 2.505 9.698 ( 0.546 -0.529 0.330) 0.829 9.745 ( -0.942 -3.686 -0.585) 3.849 9.852 ( 0.182 -6.442 -0.411) 6.457 11.692 ( -0.144 1.664 2.359) 2.891 11.722 ( -0.254 0.291 1.464) 1.514 11.910 ( 0.618 2.653 -2.590) 3.758 11.940 ( 0.795 1.075 -2.085) 2.477 12.586 ( -0.186 2.760 1.847) 3.326 12.622 ( -1.110 1.292 2.698) 3.191 12.675 ( -0.460 0.175 -1.701) 1.771 12.692 ( 0.119 0.101 -0.915) 0.928 12.817 ( 3.351 2.913 -1.290) 4.624 12.887 ( 2.970 -1.052 1.582) 3.526 13.075 ( -3.962 4.767 0.606) 6.228 13.213 ( -0.690 -2.315 -1.684) 2.945 20.775 ( -2.218 3.510 0.429) 4.174 20.929 ( 0.578 -2.465 -0.015) 2.532 20.961 ( 0.022 -0.094 -3.008) 3.009 21.100 ( 2.043 -7.804 5.311) 9.658 21.559 ( -0.871 2.643 -2.982) 4.078 21.632 ( -0.040 1.197 -7.783) 7.875 21.771 ( 0.800 -0.917 3.806) 3.996 21.813 ( -0.515 -1.259 2.989) 3.284 21.857 ( 1.525 -6.692 3.675) 7.786 21.925 ( 1.852 -2.163 4.546) 5.364 22.352 ( -2.523 7.942 -1.766) 8.518 22.542 ( -0.146 -2.072 -2.632) 3.353 22.772 ( -0.507 1.083 -0.015) 1.196 22.800 ( 0.082 0.037 0.775) 0.780 22.836 ( 0.279 0.659 -1.218) 1.413 22.907 ( 1.539 -3.176 -1.864) 3.992 ======================= Grid point 112 (60/90) ======================= q-point: ( 0.00 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.697 ( 0.008 -1.714 2.337) 2.898 0.697 ( 0.008 1.714 2.337) 2.898 0.765 ( -1.478 -1.762 -1.328) 2.656 0.765 ( -1.478 1.762 -1.328) 2.656 0.841 ( 2.884 -1.671 -0.685) 3.403 0.841 ( 2.884 1.671 -0.685) 3.403 0.958 ( -0.627 -2.461 1.066) 2.754 0.958 ( -0.627 2.461 1.066) 2.754 1.112 ( -0.170 -0.671 0.917) 1.149 1.112 ( -0.170 0.671 0.917) 1.149 1.167 ( 1.014 -0.271 -0.973) 1.431 1.167 ( 1.014 0.271 -0.973) 1.431 1.257 ( 0.763 -2.383 -1.684) 3.016 1.257 ( 0.763 2.383 -1.684) 3.016 1.284 ( -0.527 -2.410 -1.416) 2.844 1.284 ( -0.527 2.410 -1.416) 2.844 1.410 ( 0.024 -1.607 -1.529) 2.218 1.410 ( 0.024 1.607 -1.529) 2.218 1.513 ( 0.263 -0.760 1.508) 1.709 1.513 ( 0.263 0.760 1.508) 1.709 1.539 ( -0.867 -1.176 -0.462) 1.532 1.539 ( -0.867 1.176 -0.462) 1.532 1.615 ( 0.974 -2.136 -0.594) 2.421 1.615 ( 0.974 2.136 -0.594) 2.421 1.660 ( -0.383 -3.156 1.679) 3.596 1.660 ( -0.383 3.156 1.679) 3.596 1.946 ( 0.334 -0.087 0.946) 1.007 1.946 ( 0.334 0.087 0.946) 1.007 2.114 ( -0.711 -0.264 -0.870) 1.154 2.114 ( -0.711 0.264 -0.870) 1.154 2.720 ( -0.477 -1.481 2.626) 3.052 2.720 ( -0.477 1.481 2.626) 3.052 2.816 ( 0.141 -1.241 -1.137) 1.689 2.816 ( 0.140 1.241 -1.137) 1.689 3.176 ( 0.972 -2.051 1.308) 2.620 3.176 ( 0.972 2.051 1.308) 2.620 3.328 ( -0.895 -4.036 -1.397) 4.364 3.328 ( -0.895 4.036 -1.397) 4.364 3.434 ( -0.332 -1.855 -2.393) 3.046 3.434 ( -0.332 1.855 -2.393) 3.046 3.641 ( 0.511 -2.777 3.780) 4.718 3.641 ( 0.511 2.777 3.780) 4.718 4.372 ( 0.469 -1.309 2.213) 2.614 4.372 ( 0.469 1.309 2.213) 2.614 4.791 ( -0.877 -1.446 -7.461) 7.650 4.791 ( -0.877 1.446 -7.461) 7.650 5.004 ( -0.152 -1.145 0.555) 1.282 5.004 ( -0.152 1.145 0.555) 1.282 5.938 ( 0.426 -0.601 4.722) 4.779 5.938 ( 0.426 0.601 4.722) 4.779 6.222 ( 1.268 -3.416 -1.787) 4.059 6.222 ( 1.268 3.416 -1.787) 4.059 6.389 ( 0.385 -0.052 1.383) 1.437 6.389 ( 0.385 0.052 1.383) 1.437 6.518 ( -1.693 -0.690 1.188) 2.180 6.518 ( -1.693 0.690 1.188) 2.180 6.572 ( 0.088 -0.870 1.968) 2.153 6.572 ( 0.088 0.870 1.968) 2.153 6.751 ( -0.086 -1.312 -4.159) 4.362 6.751 ( -0.086 1.312 -4.159) 4.362 8.362 ( -0.266 -0.585 -1.229) 1.387 8.362 ( -0.266 0.585 -1.229) 1.387 8.479 ( 0.333 -0.784 0.989) 1.305 8.479 ( 0.333 0.784 0.989) 1.305 9.697 ( 0.605 -0.811 -0.108) 1.017 9.697 ( 0.605 0.811 -0.108) 1.017 9.739 ( -0.632 -3.633 0.057) 3.687 9.739 ( -0.632 3.633 0.057) 3.687 11.741 ( -0.185 -0.410 3.368) 3.398 11.741 ( -0.185 0.410 3.368) 3.398 11.922 ( 0.460 -0.868 -3.758) 3.884 11.922 ( 0.460 0.868 -3.758) 3.884 12.629 ( -1.065 -0.941 1.921) 2.389 12.629 ( -1.065 0.941 1.921) 2.389 12.663 ( -0.142 -0.799 -1.738) 1.918 12.663 ( -0.142 0.799 -1.738) 1.918 12.908 ( 1.141 -2.117 1.421) 2.793 12.908 ( 1.141 2.117 1.421) 2.793 13.124 ( -0.184 -3.932 -1.149) 4.100 13.124 ( -0.184 3.932 -1.149) 4.100 20.840 ( 0.117 -3.713 -1.384) 3.965 20.840 ( 0.117 3.713 -1.384) 3.965 21.031 ( 0.132 -4.597 4.133) 6.183 21.031 ( 0.132 4.597 4.133) 6.183 21.535 ( -0.859 -2.290 -6.664) 7.098 21.535 ( -0.859 2.290 -6.664) 7.098 21.757 ( -0.194 -2.127 0.012) 2.136 21.757 ( -0.194 2.127 0.012) 2.136 22.002 ( 1.745 -3.015 11.292) 11.817 22.002 ( 1.745 3.015 11.292) 11.817 22.415 ( -1.044 -5.027 -5.869) 7.798 22.415 ( -1.044 5.027 -5.869) 7.798 22.786 ( -0.482 -1.152 -0.239) 1.271 22.786 ( -0.482 1.152 -0.239) 1.271 22.857 ( 0.570 -1.740 -1.088) 2.130 22.857 ( 0.570 1.740 -1.088) 2.130 ======================= Grid point 114 (61/90) ======================= q-point: ( 0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.694 ( -2.360 -2.793 0.796) 3.742 0.694 ( -2.360 2.793 0.796) 3.742 0.762 ( 1.554 -2.430 0.633) 2.953 0.762 ( 1.554 2.430 0.633) 2.953 0.873 ( 2.730 -1.038 -2.177) 3.642 0.873 ( 2.730 1.038 -2.177) 3.642 0.974 ( -0.256 -1.950 2.401) 3.104 0.974 ( -0.256 1.950 2.401) 3.104 1.108 ( -1.325 -3.321 0.154) 3.578 1.108 ( -1.325 3.321 0.154) 3.578 1.144 ( -1.810 -2.109 -0.644) 2.853 1.144 ( -1.810 2.109 -0.644) 2.853 1.235 ( -0.575 -1.928 -1.849) 2.732 1.235 ( -0.575 1.928 -1.849) 2.732 1.294 ( 2.980 -0.756 -1.751) 3.538 1.294 ( 2.980 0.756 -1.751) 3.538 1.396 ( -0.091 -1.336 -0.571) 1.456 1.396 ( -0.091 1.336 -0.571) 1.456 1.520 ( -0.323 -1.428 0.079) 1.466 1.520 ( -0.323 1.428 0.079) 1.466 1.537 ( 0.201 -0.460 0.334) 0.603 1.537 ( 0.201 0.460 0.334) 0.603 1.627 ( 0.982 -2.206 -0.310) 2.435 1.627 ( 0.982 2.206 -0.310) 2.435 1.685 ( 1.326 -2.523 1.250) 3.113 1.685 ( 1.326 2.523 1.250) 3.113 1.947 ( -1.176 -0.570 0.525) 1.408 1.947 ( -1.176 0.570 0.525) 1.408 2.090 ( -1.166 -0.591 -0.261) 1.333 2.090 ( -1.166 0.591 -0.261) 1.333 2.745 ( 0.164 -1.684 2.517) 3.033 2.745 ( 0.164 1.684 2.517) 3.033 2.804 ( 0.052 -1.361 -1.413) 1.962 2.804 ( 0.052 1.361 -1.413) 1.962 3.190 ( -0.829 -1.744 -0.111) 1.934 3.190 ( -0.829 1.744 -0.111) 1.934 3.302 ( -0.690 -1.013 0.136) 1.233 3.302 ( -0.690 1.013 0.136) 1.233 3.415 ( 0.309 -1.346 -1.104) 1.769 3.415 ( 0.309 1.346 -1.104) 1.769 3.680 ( 0.571 -2.857 1.879) 3.467 3.680 ( 0.571 2.857 1.879) 3.467 4.396 ( -0.438 -0.590 1.732) 1.881 4.396 ( -0.438 0.590 1.732) 1.881 4.714 ( -0.193 -0.994 -4.680) 4.788 4.714 ( -0.193 0.994 -4.680) 4.788 5.002 ( -0.522 -1.570 0.247) 1.673 5.002 ( -0.522 1.570 0.247) 1.673 5.981 ( -0.104 -0.894 2.534) 2.689 5.981 ( -0.104 0.894 2.534) 2.689 6.234 ( 2.486 -2.313 -1.789) 3.838 6.234 ( 2.486 2.313 -1.789) 3.838 6.401 ( -0.365 -1.159 0.656) 1.381 6.401 ( -0.365 1.159 0.656) 1.381 6.512 ( -1.664 -0.701 3.278) 3.743 6.512 ( -1.664 0.701 3.278) 3.743 6.596 ( 0.797 -1.278 0.986) 1.800 6.596 ( 0.797 1.278 0.986) 1.800 6.705 ( -0.104 -1.288 -3.854) 4.064 6.705 ( -0.104 1.288 -3.854) 4.064 8.348 ( -0.168 -0.517 -0.640) 0.840 8.348 ( -0.168 0.517 -0.640) 0.840 8.493 ( 0.486 -0.328 0.406) 0.713 8.493 ( 0.486 0.328 0.406) 0.713 9.694 ( -0.569 -1.427 -0.738) 1.705 9.694 ( -0.569 1.427 -0.738) 1.705 9.741 ( 0.635 -1.133 0.747) 1.498 9.741 ( 0.635 1.133 0.747) 1.498 11.774 ( -0.514 -0.179 3.770) 3.809 11.774 ( -0.514 0.179 3.770) 3.809 11.887 ( 0.464 -0.730 -4.134) 4.224 11.887 ( 0.464 0.730 -4.134) 4.224 12.626 ( -1.374 -0.732 1.564) 2.207 12.626 ( -1.374 0.732 1.564) 2.207 12.651 ( 0.209 -1.013 -0.836) 1.330 12.651 ( 0.209 1.013 -0.836) 1.330 12.916 ( -1.167 -2.855 0.440) 3.115 12.916 ( -1.167 2.855 0.440) 3.115 13.134 ( 2.369 -3.219 -0.764) 4.069 13.134 ( 2.369 3.219 -0.764) 4.069 20.833 ( 0.334 -1.048 -0.875) 1.406 20.833 ( 0.334 1.048 -0.875) 1.406 21.069 ( -0.302 -0.117 2.981) 2.999 21.069 ( -0.302 0.117 2.981) 2.999 21.465 ( -0.765 -3.246 -3.726) 5.000 21.465 ( -0.765 3.246 -3.726) 5.000 21.746 ( -1.294 -2.077 0.181) 2.454 21.746 ( -1.294 2.077 0.181) 2.454 22.149 ( 1.790 -3.088 11.184) 11.740 22.149 ( 1.790 3.088 11.184) 11.740 22.329 ( -0.035 -3.906 -8.700) 9.537 22.329 ( -0.035 3.906 -8.700) 9.537 22.779 ( -0.260 -0.668 0.107) 0.725 22.779 ( -0.260 0.668 0.107) 0.725 22.851 ( -0.101 -0.983 -1.012) 1.414 22.851 ( -0.101 0.983 -1.012) 1.414 ======================= Grid point 116 (62/90) ======================= q-point: ( 0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.668 ( -1.200 -2.241 0.268) 2.556 0.668 ( -1.200 2.241 0.268) 2.556 0.794 ( 1.312 -3.692 0.187) 3.923 0.794 ( 1.312 3.692 0.187) 3.923 0.892 ( 2.167 -1.507 -1.316) 2.949 0.892 ( 2.167 1.507 -1.316) 2.949 0.975 ( -1.009 -0.671 -0.522) 1.319 0.975 ( -1.009 0.671 -0.522) 1.319 1.078 ( -1.077 -3.573 -0.576) 3.776 1.078 ( -1.077 3.573 -0.576) 3.776 1.120 ( -1.392 -2.366 -0.185) 2.751 1.120 ( -1.392 2.366 -0.185) 2.751 1.197 ( -0.896 -1.582 -2.544) 3.127 1.197 ( -0.896 1.582 -2.544) 3.127 1.348 ( 3.358 -0.377 1.784) 3.821 1.348 ( 3.358 0.377 1.784) 3.821 1.400 ( 0.543 -1.195 0.665) 1.471 1.400 ( 0.543 1.195 0.665) 1.471 1.512 ( -1.141 -0.844 0.237) 1.440 1.512 ( -1.141 0.844 0.237) 1.439 1.536 ( -0.009 -1.736 -0.681) 1.865 1.536 ( -0.009 1.736 -0.681) 1.865 1.636 ( 0.797 -2.117 -0.691) 2.366 1.636 ( 0.797 2.117 -0.691) 2.366 1.722 ( 2.167 -1.104 0.263) 2.446 1.722 ( 2.167 1.104 0.263) 2.446 1.923 ( -1.457 -1.051 -0.697) 1.927 1.923 ( -1.457 1.051 -0.697) 1.927 2.075 ( -1.546 -1.657 1.467) 2.700 2.075 ( -1.546 1.657 1.467) 2.700 2.771 ( 0.256 -1.689 1.712) 2.418 2.771 ( 0.256 1.689 1.712) 2.418 2.791 ( 0.171 -1.500 -1.336) 2.016 2.791 ( 0.171 1.500 -1.336) 2.016 3.157 ( -1.685 -4.702 -0.889) 5.073 3.157 ( -1.685 4.702 -0.889) 5.073 3.298 ( -1.008 -1.179 0.760) 1.727 3.298 ( -1.008 1.179 0.760) 1.727 3.426 ( 1.196 -1.113 0.454) 1.696 3.426 ( 1.196 1.113 0.454) 1.696 3.693 ( 0.290 -2.726 -0.806) 2.857 3.693 ( 0.290 2.726 -0.806) 2.857 4.386 ( -0.987 -0.885 -1.099) 1.722 4.386 ( -0.987 0.885 -1.099) 1.722 4.704 ( 0.634 -0.580 1.867) 2.056 4.704 ( 0.634 0.580 1.867) 2.055 4.996 ( -0.602 -1.960 0.308) 2.074 4.996 ( -0.602 1.960 0.308) 2.074 5.987 ( -0.349 -0.270 -0.307) 0.537 5.987 ( -0.349 0.270 -0.307) 0.537 6.252 ( 2.497 -1.676 -3.354) 4.505 6.252 ( 2.497 1.676 -3.354) 4.505 6.393 ( -0.668 -1.626 -0.307) 1.784 6.393 ( -0.668 1.626 -0.307) 1.784 6.523 ( -1.507 -0.652 3.191) 3.589 6.523 ( -1.507 0.652 3.191) 3.589 6.611 ( 0.577 -1.161 -0.407) 1.359 6.611 ( 0.577 1.161 -0.407) 1.359 6.687 ( 0.435 -1.632 0.506) 1.764 6.687 ( 0.435 1.633 0.506) 1.764 8.345 ( -0.063 -0.307 0.422) 0.526 8.345 ( -0.063 0.307 0.422) 0.526 8.500 ( 0.438 -0.468 -0.481) 0.801 8.500 ( 0.438 0.468 -0.481) 0.801 9.676 ( -0.602 -1.783 -0.290) 1.905 9.676 ( -0.602 1.783 -0.290) 1.905 9.760 ( 0.707 -1.555 0.305) 1.736 9.760 ( 0.707 1.555 0.305) 1.736 11.785 ( -1.139 -0.787 0.215) 1.401 11.785 ( -1.139 0.787 0.215) 1.401 11.870 ( 1.007 -0.595 -0.583) 1.307 11.870 ( 1.007 0.595 -0.583) 1.307 12.620 ( -1.016 -0.679 0.734) 1.425 12.620 ( -1.016 0.679 0.734) 1.425 12.651 ( -0.166 -0.826 0.934) 1.258 12.651 ( -0.166 0.826 0.934) 1.258 12.891 ( -1.070 -3.054 -1.484) 3.560 12.891 ( -1.070 3.054 -1.484) 3.560 13.171 ( 2.364 -2.117 0.129) 3.176 13.171 ( 2.364 2.117 0.129) 3.176 20.833 ( 0.391 -0.751 -0.048) 0.848 20.833 ( 0.391 0.751 -0.048) 0.848 21.074 ( -0.679 -6.072 -0.667) 6.146 21.074 ( -0.679 6.072 -0.667) 6.146 21.445 ( -0.257 -6.695 1.613) 6.892 21.445 ( -0.257 6.695 1.613) 6.892 21.723 ( -1.527 -1.598 0.014) 2.210 21.723 ( -1.527 1.598 0.014) 2.210 22.199 ( -0.553 -2.564 -7.857) 8.283 22.199 ( -0.553 2.564 -7.857) 8.283 22.318 ( 2.248 -2.403 7.106) 7.832 22.318 ( 2.248 2.403 7.106) 7.832 22.781 ( -0.092 -0.477 0.750) 0.894 22.781 ( -0.092 0.477 0.750) 0.894 22.836 ( -0.322 -0.311 -0.901) 1.006 22.836 ( -0.322 0.311 -0.901) 1.006 ======================= Grid point 118 (63/90) ======================= q-point: ( 0.43 -0.50 -0.75) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.658 ( -0.483 -1.293 -0.032) 1.381 0.658 ( -0.483 1.293 -0.032) 1.381 0.801 ( 0.426 -4.191 -1.279) 4.403 0.801 ( 0.426 4.191 -1.279) 4.403 0.922 ( 1.948 -0.883 0.619) 2.226 0.922 ( 1.947 0.883 0.619) 2.226 0.942 ( -0.577 -3.135 -2.605) 4.116 0.942 ( -0.577 3.135 -2.604) 4.116 1.067 ( -0.748 -3.822 -0.672) 3.952 1.067 ( -0.748 3.822 -0.672) 3.952 1.089 ( -0.412 -2.856 -0.871) 3.014 1.089 ( -0.412 2.856 -0.871) 3.015 1.167 ( -0.307 -1.263 -1.463) 1.957 1.167 ( -0.307 1.263 -1.463) 1.957 1.401 ( 0.871 -0.793 0.388) 1.240 1.401 ( 0.871 0.793 0.388) 1.240 1.432 ( 1.686 -1.063 1.486) 2.486 1.432 ( 1.686 1.063 1.486) 2.486 1.487 ( -1.948 -1.156 0.893) 2.435 1.487 ( -1.948 1.156 0.893) 2.435 1.535 ( 0.558 -1.255 -0.150) 1.382 1.535 ( 0.558 1.255 -0.150) 1.382 1.645 ( 0.900 -2.094 -0.004) 2.279 1.645 ( 0.900 2.094 -0.004) 2.279 1.754 ( 1.216 -0.563 0.093) 1.344 1.754 ( 1.216 0.563 0.093) 1.344 1.889 ( -1.010 -1.170 -1.787) 2.363 1.889 ( -1.010 1.170 -1.787) 2.363 2.072 ( -1.109 -1.552 2.244) 2.945 2.072 ( -1.109 1.552 2.244) 2.945 2.776 ( -0.810 -0.504 -0.179) 0.971 2.776 ( -0.810 0.505 -0.179) 0.971 2.792 ( 0.804 -1.351 0.027) 1.572 2.792 ( 0.804 1.351 0.027) 1.572 3.138 ( -0.078 -4.647 0.313) 4.659 3.138 ( -0.078 4.647 0.313) 4.659 3.285 ( -1.019 -1.803 -0.040) 2.071 3.285 ( -1.019 1.803 -0.040) 2.071 3.449 ( 0.454 -1.264 1.063) 1.713 3.449 ( 0.454 1.264 1.063) 1.713 3.675 ( -0.065 -2.470 -2.914) 3.821 3.675 ( -0.065 2.471 -2.914) 3.821 4.355 ( -0.390 -1.370 -2.222) 2.639 4.355 ( -0.390 1.370 -2.222) 2.639 4.759 ( 0.666 -0.760 6.178) 6.260 4.759 ( 0.666 0.760 6.178) 6.260 4.990 ( -0.382 -1.897 0.200) 1.946 4.990 ( -0.382 1.897 0.200) 1.946 5.967 ( -0.262 -0.552 -2.582) 2.653 5.967 ( -0.262 0.552 -2.582) 2.653 6.244 ( 1.493 -0.934 -3.861) 4.243 6.244 ( 1.493 0.934 -3.861) 4.243 6.374 ( -0.514 -0.858 -1.495) 1.799 6.374 ( -0.514 0.858 -1.495) 1.799 6.529 ( -1.160 -2.325 2.403) 3.540 6.529 ( -1.160 2.325 2.403) 3.540 6.611 ( 0.025 -0.688 -0.494) 0.847 6.611 ( 0.025 0.688 -0.494) 0.847 6.721 ( 0.686 -1.402 3.411) 3.751 6.721 ( 0.686 1.402 3.411) 3.751 8.356 ( 0.084 -0.645 1.578) 1.707 8.356 ( 0.084 0.645 1.578) 1.707 8.496 ( 0.187 -0.929 -1.350) 1.649 8.496 ( 0.187 0.929 -1.350) 1.649 9.675 ( 0.168 -2.502 0.762) 2.621 9.675 ( 0.168 2.502 0.762) 2.621 9.762 ( -0.167 -2.484 -0.867) 2.636 9.762 ( -0.167 2.484 -0.867) 2.636 11.754 ( -0.923 -0.801 -2.111) 2.439 11.754 ( -0.923 0.801 -2.111) 2.439 11.896 ( 1.018 -0.367 1.685) 2.002 11.896 ( 1.018 0.367 1.685) 2.002 12.608 ( -1.286 -0.431 0.923) 1.640 12.608 ( -1.286 0.432 0.923) 1.640 12.666 ( 0.327 -0.611 1.618) 1.760 12.666 ( 0.327 0.611 1.618) 1.760 12.857 ( -0.204 -2.555 -2.978) 3.929 12.857 ( -0.204 2.555 -2.978) 3.929 13.204 ( 1.049 -1.425 0.691) 1.900 13.204 ( 1.049 1.425 0.691) 1.900 20.846 ( 0.518 -0.613 1.165) 1.415 20.846 ( 0.518 0.613 1.165) 1.415 21.037 ( -0.851 -5.859 -3.654) 6.957 21.037 ( -0.851 5.859 -3.654) 6.957 21.486 ( 0.331 -6.705 5.931) 8.958 21.486 ( 0.331 6.705 5.931) 8.958 21.704 ( -0.734 -0.775 0.063) 1.069 21.704 ( -0.734 0.775 0.063) 1.069 22.084 ( -0.545 -1.249 -11.595) 11.675 22.084 ( -0.545 1.249 -11.595) 11.675 22.425 ( 0.837 -1.303 7.416) 7.576 22.425 ( 0.837 1.303 7.416) 7.576 22.787 ( -0.434 -0.608 1.020) 1.264 22.787 ( -0.434 0.608 1.020) 1.264 22.829 ( 0.496 -0.304 -0.445) 0.733 22.829 ( 0.496 0.304 -0.445) 0.733 ======================= Grid point 120 (64/90) ======================= q-point: (-0.43 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.653 ( 0.076 -1.234 0.029) 1.237 0.653 ( 0.076 1.234 0.029) 1.237 0.785 ( -0.741 -3.651 -1.060) 3.873 0.785 ( -0.741 3.651 -1.060) 3.873 0.909 ( 0.697 -3.505 -4.084) 5.427 0.909 ( 0.697 3.505 -4.084) 5.427 0.960 ( 0.677 -2.116 1.835) 2.881 0.960 ( 0.677 2.116 1.835) 2.881 1.035 ( -0.254 -0.363 -1.329) 1.400 1.035 ( -0.254 0.363 -1.329) 1.400 1.108 ( 1.407 -3.697 1.111) 4.109 1.108 ( 1.407 3.697 1.111) 4.109 1.158 ( 1.257 -1.702 -1.636) 2.674 1.158 ( 1.257 1.702 -1.636) 2.674 1.400 ( -1.036 -1.766 0.103) 2.050 1.400 ( -1.036 1.766 0.103) 2.050 1.434 ( -0.572 -1.995 -1.054) 2.328 1.434 ( -0.572 1.995 -1.054) 2.328 1.500 ( 0.627 -1.823 2.133) 2.875 1.500 ( 0.627 1.823 2.133) 2.875 1.542 ( 0.234 -0.793 -0.372) 0.906 1.542 ( 0.234 0.793 -0.372) 0.906 1.656 ( -0.395 -1.394 0.386) 1.500 1.656 ( -0.395 1.394 0.386) 1.500 1.751 ( -1.666 -0.432 0.112) 1.724 1.751 ( -1.666 0.432 0.112) 1.724 1.872 ( 1.085 -0.616 -1.129) 1.683 1.872 ( 1.085 0.616 -1.129) 1.683 2.085 ( 0.130 -1.215 1.798) 2.174 2.085 ( 0.130 1.215 1.798) 2.174 2.754 ( -1.611 -1.303 -0.086) 2.074 2.754 ( -1.611 1.303 -0.086) 2.074 2.805 ( 0.773 -1.008 -0.074) 1.273 2.805 ( 0.773 1.008 -0.074) 1.273 3.158 ( 1.189 -3.068 0.760) 3.377 3.158 ( 1.189 3.068 0.760) 3.377 3.268 ( -0.086 -1.256 -0.813) 1.498 3.268 ( -0.086 1.256 -0.813) 1.498 3.467 ( 0.101 -1.564 2.113) 2.631 3.467 ( 0.101 1.564 2.113) 2.631 3.636 ( -0.560 -1.859 -3.603) 4.093 3.636 ( -0.560 1.859 -3.603) 4.093 4.334 ( 0.332 -0.835 -1.702) 1.925 4.334 ( 0.332 0.835 -1.702) 1.925 4.837 ( 0.535 -1.141 6.479) 6.601 4.837 ( 0.535 1.141 6.479) 6.601 4.986 ( -0.039 -1.402 -0.342) 1.443 4.986 ( -0.039 1.402 -0.342) 1.443 5.927 ( -0.548 -0.865 -3.683) 3.823 5.927 ( -0.548 0.865 -3.683) 3.823 6.232 ( 0.832 -0.876 -2.024) 2.357 6.232 ( 0.832 0.876 -2.024) 2.357 6.353 ( 0.253 -0.561 -1.866) 1.966 6.353 ( 0.253 0.562 -1.866) 1.966 6.535 ( -1.182 -2.386 2.494) 3.648 6.535 ( -1.182 2.386 2.494) 3.648 6.600 ( -0.740 -0.625 -0.606) 1.142 6.600 ( -0.740 0.625 -0.606) 1.142 6.765 ( 0.597 -1.055 2.759) 3.013 6.765 ( 0.597 1.055 2.759) 3.013 8.376 ( -0.020 -1.085 2.026) 2.298 8.376 ( -0.020 1.085 2.026) 2.298 8.480 ( -0.052 -1.152 -1.807) 2.144 8.480 ( -0.052 1.152 -1.807) 2.144 9.695 ( 0.743 -3.181 1.524) 3.604 9.695 ( 0.743 3.181 1.524) 3.604 9.740 ( -0.781 -2.993 -1.627) 3.495 9.740 ( -0.781 2.993 -1.627) 3.495 11.723 ( -0.576 -0.896 -1.427) 1.781 11.723 ( -0.576 0.896 -1.427) 1.781 11.927 ( 1.034 -0.338 0.915) 1.421 11.927 ( 1.034 0.338 0.915) 1.421 12.603 ( -1.061 -0.332 2.018) 2.304 12.603 ( -1.061 0.332 2.018) 2.304 12.687 ( 0.495 -1.492 0.899) 1.811 12.687 ( 0.495 1.492 0.899) 1.811 12.828 ( 0.785 -1.812 -3.187) 3.749 12.828 ( 0.785 1.812 -3.187) 3.749 13.215 ( -0.648 -1.805 0.609) 2.012 13.215 ( -0.648 1.805 0.609) 2.012 20.872 ( 0.288 -0.952 2.277) 2.485 20.872 ( 0.288 0.952 2.277) 2.485 20.982 ( -0.489 -1.936 -4.316) 4.755 20.982 ( -0.489 1.936 -4.316) 4.755 21.565 ( 0.772 -5.290 7.058) 8.854 21.565 ( 0.772 5.290 7.058) 8.854 21.705 ( 0.392 -0.917 1.034) 1.437 21.705 ( 0.392 0.917 1.034) 1.437 21.954 ( -0.797 -2.073 -11.387) 11.602 21.954 ( -0.797 2.073 -11.387) 11.602 22.489 ( -0.488 -1.486 4.540) 4.802 22.489 ( -0.488 1.486 4.540) 4.802 22.788 ( -0.597 -0.275 0.982) 1.181 22.788 ( -0.597 0.275 0.982) 1.181 22.841 ( 1.213 -0.708 -0.287) 1.433 22.841 ( 1.213 0.708 -0.287) 1.433 ======================= Grid point 122 (65/90) ======================= q-point: (-0.29 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.661 ( 0.514 -1.674 0.350) 1.786 0.661 ( 0.514 1.674 0.350) 1.786 0.772 ( -0.035 -2.962 0.450) 2.996 0.772 ( -0.035 2.962 0.450) 2.996 0.868 ( -1.004 -3.433 -3.521) 5.019 0.868 ( -1.004 3.433 -3.521) 5.019 0.978 ( -0.163 -1.152 0.919) 1.482 0.978 ( -0.163 1.152 0.919) 1.482 1.047 ( 2.511 -4.210 -0.424) 4.920 1.047 ( 2.511 4.210 -0.424) 4.920 1.134 ( 0.973 -2.796 -0.287) 2.975 1.134 ( 0.974 2.796 -0.287) 2.975 1.181 ( 3.017 -0.492 -0.446) 3.089 1.181 ( 3.017 0.492 -0.446) 3.089 1.377 ( -1.670 -1.250 -0.082) 2.087 1.377 ( -1.670 1.250 -0.082) 2.087 1.420 ( -0.196 -1.325 -0.512) 1.434 1.420 ( -0.196 1.325 -0.512) 1.434 1.513 ( -0.978 -1.023 -0.042) 1.416 1.513 ( -0.978 1.023 -0.042) 1.416 1.544 ( 0.486 -1.298 0.943) 1.676 1.544 ( 0.486 1.298 0.943) 1.676 1.636 ( -1.331 -0.630 -0.887) 1.719 1.636 ( -1.331 0.630 -0.887) 1.719 1.717 ( -2.745 -0.957 0.330) 2.926 1.717 ( -2.745 0.957 0.330) 2.926 1.893 ( 1.977 -0.842 -0.280) 2.167 1.893 ( 1.977 0.842 -0.280) 2.167 2.108 ( 0.747 -1.205 1.023) 1.748 2.108 ( 0.747 1.205 1.023) 1.748 2.727 ( -1.922 -1.585 0.670) 2.580 2.727 ( -1.922 1.585 0.670) 2.580 2.815 ( 0.694 -1.160 -0.212) 1.369 2.815 ( 0.694 1.160 -0.212) 1.369 3.164 ( -0.034 -1.393 -1.222) 1.853 3.164 ( -0.034 1.393 -1.222) 1.853 3.288 ( 2.244 -2.967 1.026) 3.859 3.288 ( 2.244 2.967 1.026) 3.859 3.491 ( 0.103 -3.267 1.144) 3.463 3.491 ( 0.103 3.267 1.144) 3.463 3.593 ( -0.914 -1.094 -1.485) 2.059 3.593 ( -0.914 1.094 -1.485) 2.059 4.331 ( 0.720 -0.249 -0.603) 0.971 4.331 ( 0.720 0.249 -0.603) 0.971 4.893 ( 0.246 -1.686 2.158) 2.749 4.893 ( 0.246 1.686 2.158) 2.749 4.982 ( 0.182 -1.029 -0.288) 1.084 4.982 ( 0.182 1.029 -0.288) 1.084 5.888 ( -0.668 -0.672 -1.245) 1.564 5.888 ( -0.668 0.672 -1.245) 1.564 6.227 ( 0.558 -2.493 -1.303) 2.867 6.227 ( 0.558 2.493 -1.303) 2.867 6.351 ( 1.061 -0.687 -0.623) 1.410 6.351 ( 1.061 0.687 -0.623) 1.410 6.540 ( -1.127 -1.512 1.867) 2.653 6.540 ( -1.127 1.512 1.867) 2.653 6.577 ( -1.539 -1.240 0.043) 1.977 6.577 ( -1.539 1.240 0.043) 1.977 6.790 ( 0.386 -1.018 0.383) 1.154 6.790 ( 0.386 1.018 0.383) 1.154 8.389 ( -0.401 -0.936 0.877) 1.344 8.389 ( -0.401 0.936 0.877) 1.344 8.464 ( -0.001 -1.090 -0.945) 1.443 8.464 ( -0.001 1.090 -0.945) 1.443 9.707 ( -0.514 -1.980 -1.125) 2.334 9.707 ( -0.514 1.980 -1.125) 2.334 9.728 ( 0.536 -4.186 1.143) 4.372 9.728 ( 0.536 4.186 1.143) 4.372 11.709 ( -0.287 -0.961 0.144) 1.014 11.709 ( -0.287 0.961 0.144) 1.014 11.945 ( 0.967 -0.515 -0.665) 1.282 11.945 ( 0.967 0.515 -0.665) 1.282 12.613 ( -0.805 -0.858 2.461) 2.728 12.613 ( -0.805 0.858 2.461) 2.728 12.696 ( 0.121 -0.842 -0.362) 0.924 12.696 ( 0.121 0.842 -0.362) 0.924 12.825 ( 2.157 -0.895 -1.680) 2.877 12.825 ( 2.157 0.895 -1.680) 2.877 13.196 ( -2.053 -2.728 0.047) 3.414 13.196 ( -2.053 2.728 0.047) 3.414 20.884 ( -0.970 -4.249 0.120) 4.360 20.884 ( -0.970 4.249 0.120) 4.360 20.955 ( 0.943 -0.613 -0.567) 1.259 20.955 ( 0.943 0.613 -0.567) 1.259 21.631 ( 0.768 -4.610 1.977) 5.075 21.631 ( 0.768 4.610 1.977) 5.075 21.745 ( 0.917 -1.169 4.363) 4.609 21.745 ( 0.917 1.169 4.363) 4.609 21.841 ( -0.446 -3.514 -7.153) 7.982 21.841 ( -0.446 3.514 -7.153) 7.982 22.504 ( -1.282 -3.536 1.358) 3.999 22.504 ( -1.282 3.536 1.358) 3.999 22.790 ( -0.293 -0.500 0.819) 1.003 22.790 ( -0.293 0.500 0.819) 1.003 22.855 ( 1.098 -1.266 -0.905) 1.905 22.855 ( 1.098 1.266 -0.905) 1.905 ======================= Grid point 124 (66/90) ======================= q-point: (-0.14 -0.50 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.674 ( 0.349 -1.213 1.110) 1.681 0.674 ( 0.349 1.213 1.110) 1.681 0.792 ( 0.466 -1.559 1.253) 2.053 0.792 ( 0.466 1.559 1.253) 2.053 0.818 ( -0.439 -3.073 -2.438) 3.948 0.818 ( -0.439 3.073 -2.438) 3.948 0.971 ( -0.718 -1.313 -0.611) 1.617 0.971 ( -0.718 1.313 -0.611) 1.617 1.091 ( 1.957 -2.635 0.775) 3.372 1.091 ( 1.957 2.635 0.775) 3.372 1.146 ( 1.720 -1.254 -0.761) 2.261 1.146 ( 1.720 1.254 -0.761) 2.261 1.229 ( 3.192 -2.116 -0.683) 3.890 1.229 ( 3.192 2.116 -0.683) 3.890 1.337 ( -3.209 -1.037 -0.393) 3.396 1.337 ( -3.209 1.037 -0.393) 3.396 1.417 ( 0.501 -1.490 -0.778) 1.754 1.417 ( 0.501 1.490 -0.778) 1.754 1.500 ( -0.631 -1.740 1.038) 2.122 1.500 ( -0.631 1.740 1.038) 2.122 1.556 ( -0.473 -1.104 0.404) 1.267 1.556 ( -0.473 1.104 0.404) 1.267 1.612 ( 0.343 -2.222 -1.480) 2.692 1.612 ( 0.343 2.222 -1.480) 2.692 1.674 ( -2.603 -1.755 0.479) 3.176 1.674 ( -2.603 1.755 0.479) 3.176 1.923 ( 1.491 -0.781 0.482) 1.751 1.923 ( 1.491 0.781 0.482) 1.751 2.123 ( 0.238 -0.807 -0.014) 0.841 2.123 ( 0.238 0.807 -0.014) 0.841 2.712 ( -1.393 -1.403 1.814) 2.683 2.712 ( -1.393 1.403 1.814) 2.683 2.820 ( 0.429 -1.130 -0.627) 1.361 2.820 ( 0.429 1.130 -0.627) 1.361 3.156 ( 0.432 -2.629 -0.126) 2.668 3.156 ( 0.432 2.629 -0.126) 2.668 3.331 ( 1.558 -3.925 0.174) 4.227 3.331 ( 1.558 3.925 0.174) 4.227 3.473 ( -0.848 -4.046 -2.755) 4.967 3.473 ( -0.848 4.046 -2.755) 4.967 3.597 ( -0.050 -3.280 3.426) 4.744 3.597 ( -0.050 3.280 3.426) 4.744 4.345 ( 0.805 -1.003 0.877) 1.556 4.345 ( 0.805 1.003 0.877) 1.556 4.872 ( -0.580 -1.667 -5.165) 5.458 4.872 ( -0.580 1.667 -5.165) 5.458 4.994 ( 0.276 -1.028 1.221) 1.620 4.994 ( 0.276 1.028 1.221) 1.620 5.891 ( -0.077 -0.113 3.055) 3.058 5.891 ( -0.077 0.113 3.055) 3.058 6.224 ( 0.826 -3.817 -1.588) 4.216 6.224 ( 0.826 3.817 -1.588) 4.216 6.368 ( 0.814 -0.753 0.726) 1.325 6.368 ( 0.814 0.753 0.726) 1.325 6.534 ( -0.897 -0.400 0.122) 0.990 6.534 ( -0.897 0.400 0.122) 0.990 6.561 ( -1.540 -2.261 2.186) 3.501 6.561 ( -1.540 2.261 2.186) 3.501 6.784 ( 0.147 -1.183 -2.276) 2.570 6.784 ( 0.147 1.183 -2.276) 2.570 8.380 ( -0.472 -0.703 -0.968) 1.286 8.380 ( -0.472 0.703 -0.968) 1.286 8.465 ( 0.159 -1.052 0.738) 1.295 8.465 ( 0.159 1.052 0.738) 1.295 9.693 ( 0.127 -1.717 -0.663) 1.845 9.693 ( 0.127 1.717 -0.663) 1.845 9.743 ( -0.124 -4.577 0.672) 4.628 9.743 ( -0.124 4.577 0.672) 4.628 11.716 ( -0.138 -0.810 1.906) 2.076 11.716 ( -0.138 0.810 1.906) 2.076 11.944 ( 0.735 -0.760 -2.358) 2.585 11.944 ( 0.735 0.761 -2.358) 2.585 12.623 ( -0.790 -1.130 2.046) 2.467 12.623 ( -0.790 1.130 2.046) 2.467 12.685 ( -0.300 -0.717 -1.371) 1.576 12.685 ( -0.300 0.717 -1.371) 1.576 12.862 ( 2.812 -1.690 0.448) 3.311 12.862 ( 2.812 1.690 0.448) 3.311 13.156 ( -2.222 -3.587 -0.630) 4.266 13.156 ( -2.222 3.587 -0.630) 4.266 20.859 ( -0.508 -4.643 -1.658) 4.956 20.859 ( -0.508 4.643 -1.658) 4.956 20.987 ( 0.681 -3.457 3.116) 4.704 20.987 ( 0.681 3.457 3.116) 4.704 21.613 ( -0.351 -2.792 -5.681) 6.340 21.613 ( -0.351 2.792 -5.681) 6.340 21.760 ( 0.457 -2.537 -1.646) 3.059 21.760 ( 0.457 2.537 -1.646) 3.059 21.871 ( 1.223 -3.215 9.183) 9.806 21.871 ( 1.223 3.215 9.183) 9.806 22.477 ( -1.511 -4.836 -2.155) 5.506 22.477 ( -1.511 4.836 -2.155) 5.506 22.793 ( -0.242 -0.846 0.342) 0.944 22.793 ( -0.242 0.846 0.342) 0.944 22.858 ( 0.850 -1.746 -1.361) 2.372 22.858 ( 0.850 1.746 -1.361) 2.372 ======================= Grid point 154 (67/90) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.376 ( 2.598 0.000 -11.813) 12.096 0.376 ( -2.598 0.000 11.813) 12.096 0.600 ( 0.397 0.000 -1.469) 1.522 0.600 ( -0.397 0.000 1.469) 1.522 0.823 ( -1.191 0.000 -3.433) 3.634 0.823 ( 1.191 0.000 3.433) 3.634 0.855 ( -0.698 0.000 -5.078) 5.126 0.855 ( 0.698 0.000 5.078) 5.126 0.974 ( 0.759 0.000 -1.004) 1.259 0.974 ( -0.759 0.000 1.004) 1.259 1.097 ( -1.005 0.000 -2.938) 3.105 1.097 ( 1.005 0.000 2.938) 3.105 1.140 ( 1.200 0.000 -2.113) 2.430 1.140 ( -1.200 0.000 2.113) 2.430 1.245 ( 1.000 0.000 -1.871) 2.122 1.245 ( -1.000 0.000 1.871) 2.122 1.276 ( 0.836 0.000 -3.160) 3.269 1.276 ( -0.836 0.000 3.160) 3.269 1.462 ( 0.698 0.000 -5.552) 5.596 1.462 ( -0.698 0.000 5.552) 5.596 1.513 ( -0.347 0.000 -2.177) 2.205 1.513 ( 0.347 0.000 2.177) 2.205 1.544 ( 0.975 0.000 -4.534) 4.638 1.544 ( -0.975 0.000 4.534) 4.638 1.675 ( -0.129 0.000 -0.134) 0.187 1.675 ( 0.129 0.000 0.134) 0.187 1.873 ( -2.002 0.000 -7.976) 8.223 1.873 ( 2.002 0.000 7.976) 8.223 2.032 ( -0.438 0.000 -1.716) 1.771 2.032 ( 0.438 0.000 1.716) 1.771 2.698 ( -2.230 0.000 -0.808) 2.372 2.698 ( 2.230 0.000 0.808) 2.372 2.887 ( -2.486 0.000 -3.061) 3.944 2.887 ( 2.486 0.000 3.061) 3.944 3.216 ( 2.292 0.000 -0.803) 2.428 3.216 ( -2.292 0.000 0.803) 2.428 3.378 ( 1.889 0.000 -3.015) 3.558 3.378 ( -1.889 0.000 3.015) 3.558 3.616 ( -1.547 0.000 -2.115) 2.620 3.616 ( 1.547 0.000 2.115) 2.620 3.941 ( -2.940 0.000 -4.907) 5.720 3.941 ( 2.940 0.000 4.907) 5.720 4.290 ( -2.066 0.000 -2.619) 3.335 4.290 ( 2.066 0.000 2.619) 3.335 4.849 ( -0.596 0.000 0.126) 0.609 4.849 ( 0.596 0.000 -0.126) 0.609 4.958 ( 1.603 0.000 -0.908) 1.842 4.958 ( -1.603 0.000 0.908) 1.842 5.781 ( -1.578 0.000 -9.307) 9.440 5.781 ( 1.578 0.000 9.307) 9.440 6.247 ( -1.059 0.000 -4.811) 4.926 6.247 ( 1.059 0.000 4.811) 4.926 6.435 ( -5.368 0.000 -2.132) 5.776 6.435 ( 5.368 0.000 2.132) 5.776 6.907 ( 0.603 0.000 -5.898) 5.929 6.907 ( -0.603 0.000 5.898) 5.929 7.065 ( -1.436 0.000 0.245) 1.457 7.065 ( 1.436 0.000 -0.245) 1.457 7.270 ( -1.677 0.000 -5.370) 5.626 7.270 ( 1.677 0.000 5.370) 5.626 8.309 ( -2.230 0.000 0.577) 2.303 8.309 ( 2.230 0.000 -0.577) 2.303 8.603 ( -1.958 0.000 -1.994) 2.795 8.603 ( 1.958 0.000 1.994) 2.795 9.954 ( -3.489 0.000 -3.988) 5.299 9.954 ( 3.489 0.000 3.988) 5.299 10.186 ( 10.274 0.000 -4.399) 11.176 10.186 ( -10.274 0.000 4.399) 11.176 11.598 ( 0.371 0.000 -0.842) 0.920 11.598 ( -0.371 0.000 0.842) 0.920 11.728 ( -0.332 0.000 -2.103) 2.129 11.728 ( 0.332 0.000 2.103) 2.129 12.323 ( -0.248 0.000 -0.057) 0.254 12.323 ( 0.248 0.000 0.057) 0.254 12.525 ( 0.950 0.000 -0.921) 1.323 12.525 ( -0.950 0.000 0.921) 1.323 12.698 ( -1.751 0.000 -0.886) 1.962 12.698 ( 1.751 0.000 0.886) 1.962 13.074 ( -7.982 0.000 0.788) 8.020 13.074 ( 7.982 0.000 -0.788) 8.020 20.744 ( 6.023 0.000 -2.239) 6.426 20.744 ( -6.023 0.000 2.239) 6.426 21.254 ( -1.630 0.000 -1.834) 2.454 21.254 ( 1.630 0.000 1.834) 2.454 21.487 ( 2.212 0.000 -4.405) 4.929 21.487 ( -2.212 0.000 4.405) 4.929 21.610 ( 0.355 0.000 -0.823) 0.896 21.610 ( -0.355 0.000 0.823) 0.896 21.813 ( -4.197 0.000 -8.033) 9.063 21.813 ( 4.197 0.000 8.033) 9.063 22.769 ( 0.092 0.000 -0.747) 0.753 22.769 ( -0.092 0.000 0.747) 0.753 22.877 ( 0.320 0.000 -0.482) 0.578 22.877 ( -0.320 0.000 0.482) 0.578 23.211 ( -9.374 0.000 -3.010) 9.845 23.211 ( 9.374 0.000 3.010) 9.845 ======================= Grid point 156 (68/90) ======================= q-point: ( 0.14 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.339 ( 5.270 0.000 -8.046) 9.618 0.450 ( 0.133 0.000 4.648) 4.649 0.579 ( 2.143 0.000 -7.929) 8.213 0.610 ( 5.175 0.000 -6.386) 8.220 0.760 ( 0.402 0.000 -2.228) 2.264 0.830 ( -0.675 0.000 -0.618) 0.915 0.830 ( -0.379 0.000 0.451) 0.589 0.878 ( -4.048 0.000 -0.115) 4.049 0.947 ( -1.936 0.000 -0.832) 2.107 0.986 ( 0.737 0.000 4.515) 4.575 1.062 ( -0.380 0.000 -1.800) 1.840 1.081 ( -1.669 0.000 -1.079) 1.987 1.155 ( 1.216 0.000 -0.925) 1.528 1.209 ( 4.355 0.000 1.647) 4.656 1.243 ( 0.507 0.000 -1.436) 1.523 1.270 ( 0.613 0.000 3.785) 3.834 1.279 ( 3.069 0.000 -2.877) 4.207 1.295 ( -1.439 0.000 0.744) 1.620 1.378 ( -0.208 0.000 -5.284) 5.289 1.484 ( -1.272 0.000 3.565) 3.785 1.508 ( -3.100 0.000 1.941) 3.658 1.519 ( -0.045 0.000 -1.014) 1.015 1.529 ( 2.069 0.000 -0.395) 2.106 1.588 ( 0.453 0.000 1.769) 1.826 1.679 ( 0.223 0.000 -0.328) 0.397 1.707 ( 1.675 0.000 2.891) 3.341 1.772 ( -1.528 0.000 -4.635) 4.880 1.969 ( -1.134 0.000 4.532) 4.671 2.000 ( -0.165 0.000 0.606) 0.628 2.049 ( 0.184 0.000 1.323) 1.336 2.670 ( -0.344 0.000 0.310) 0.463 2.750 ( 3.038 0.000 0.590) 3.095 2.886 ( 3.237 0.000 1.628) 3.624 2.993 ( 5.054 0.000 3.319) 6.047 3.210 ( 0.504 0.000 1.656) 1.731 3.257 ( 3.764 0.000 -1.288) 3.978 3.371 ( 1.331 0.000 -3.430) 3.679 3.371 ( -1.956 0.000 1.678) 2.577 3.570 ( -1.786 0.000 -0.671) 1.907 3.643 ( -0.645 0.000 1.186) 1.350 3.817 ( -6.321 0.000 -4.837) 7.959 4.006 ( -2.252 0.000 5.757) 6.182 4.240 ( -0.731 0.000 -1.748) 1.895 4.344 ( 1.767 0.000 1.377) 2.240 4.850 ( -1.420 0.000 3.518) 3.794 4.864 ( -0.238 0.000 2.409) 2.421 4.942 ( -1.234 0.000 0.554) 1.352 4.972 ( 1.460 0.000 -1.203) 1.892 5.645 ( -1.276 0.000 -11.385) 11.456 5.827 ( -3.403 0.000 -0.557) 3.448 6.218 ( 0.039 0.000 2.337) 2.337 6.323 ( 0.387 0.000 7.160) 7.171 6.366 ( -3.142 0.000 2.369) 3.935 6.573 ( 6.557 0.000 5.483) 8.547 6.844 ( 0.545 0.000 -7.659) 7.678 6.906 ( -3.001 0.000 -3.504) 4.613 7.022 ( -2.548 0.000 -5.487) 6.050 7.031 ( -1.625 0.000 2.804) 3.241 7.212 ( -0.308 0.000 -2.981) 2.997 7.344 ( 0.581 0.000 3.622) 3.668 8.296 ( -0.891 0.000 1.516) 1.758 8.355 ( 2.638 0.000 1.360) 2.968 8.560 ( -0.437 0.000 -1.696) 1.752 8.649 ( 1.630 0.000 0.755) 1.796 9.849 ( -3.640 0.000 -3.684) 5.179 9.907 ( -8.370 0.000 -8.045) 11.609 10.147 ( -0.384 0.000 8.081) 8.090 10.273 ( 7.126 0.000 -6.300) 9.512 11.595 ( 0.189 0.000 -0.803) 0.825 11.602 ( -0.265 0.000 0.939) 0.976 11.682 ( -1.817 0.000 -2.980) 3.490 11.736 ( -1.675 0.000 2.054) 2.650 12.318 ( -0.074 0.000 -0.455) 0.461 12.334 ( 1.320 0.000 0.038) 1.321 12.527 ( -0.000 0.000 -1.497) 1.497 12.532 ( 0.629 0.000 1.028) 1.205 12.668 ( -1.314 0.000 0.236) 1.335 12.728 ( 0.299 0.000 0.776) 0.831 12.963 ( -7.782 0.000 3.647) 8.594 13.166 ( 1.326 0.000 1.410) 1.936 20.692 ( -0.420 0.000 0.669) 0.791 20.810 ( 6.068 0.000 -4.271) 7.421 21.190 ( -1.815 0.000 -4.619) 4.963 21.278 ( 1.166 0.000 -1.235) 1.698 21.471 ( 1.722 0.000 -4.633) 4.943 21.485 ( -2.349 0.000 2.069) 3.130 21.618 ( -0.596 0.000 1.786) 1.882 21.619 ( -0.056 0.000 1.697) 1.698 21.676 ( -3.177 0.000 -4.809) 5.764 21.956 ( 3.003 0.000 8.341) 8.865 22.762 ( 0.209 0.000 -1.273) 1.290 22.770 ( -1.192 0.000 0.654) 1.360 22.872 ( -0.478 0.000 -0.259) 0.544 22.872 ( -1.122 0.000 0.627) 1.286 22.997 ( -13.280 0.000 -0.179) 13.281 23.286 ( -4.103 0.000 -0.256) 4.111 ======================= Grid point 157 (69/90) ======================= q-point: ( 0.29 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.334 ( 4.265 0.000 -8.197) 9.240 0.473 ( 6.045 0.000 -9.427) 11.199 0.531 ( -2.644 0.000 1.345) 2.966 0.641 ( 3.305 0.000 -4.700) 5.746 0.735 ( -1.432 0.000 -2.613) 2.980 0.804 ( 1.587 0.000 -2.271) 2.770 0.825 ( -1.626 0.000 0.386) 1.671 0.889 ( 3.990 0.000 3.147) 5.082 0.917 ( 0.171 0.000 -0.497) 0.526 1.003 ( -2.937 0.000 -0.340) 2.956 1.049 ( -1.514 0.000 0.018) 1.514 1.054 ( 2.284 0.000 -0.513) 2.341 1.163 ( -0.065 0.000 0.680) 0.683 1.221 ( -0.914 0.000 -2.274) 2.451 1.244 ( 0.038 0.000 -3.745) 3.745 1.270 ( 2.209 0.000 -1.343) 2.585 1.309 ( 2.936 0.000 -0.504) 2.979 1.326 ( 2.159 0.000 1.929) 2.895 1.380 ( 0.031 0.000 1.310) 1.310 1.463 ( -3.943 0.000 1.358) 4.170 1.491 ( -0.127 0.000 -2.010) 2.014 1.496 ( -1.640 0.000 2.640) 3.108 1.565 ( 0.665 0.000 0.127) 0.677 1.608 ( 1.098 0.000 0.584) 1.244 1.664 ( -0.703 0.000 -0.011) 0.703 1.747 ( -0.352 0.000 1.222) 1.272 1.758 ( 1.394 0.000 1.160) 1.813 1.908 ( -2.950 0.000 -3.113) 4.289 2.060 ( 0.105 0.000 5.379) 5.380 2.071 ( 0.530 0.000 1.725) 1.805 2.702 ( 2.202 0.000 2.315) 3.195 2.794 ( 2.510 0.000 -1.188) 2.777 2.989 ( 1.760 0.000 8.823) 8.997 3.076 ( 1.569 0.000 2.658) 3.087 3.277 ( 3.890 0.000 1.938) 4.347 3.285 ( 1.149 0.000 -3.174) 3.376 3.358 ( 2.579 0.000 -3.919) 4.692 3.361 ( 0.696 0.000 -0.636) 0.943 3.564 ( -0.384 0.000 3.362) 3.384 3.619 ( -3.026 0.000 0.305) 3.041 3.649 ( -7.744 0.000 -4.537) 8.975 3.957 ( -8.000 0.000 0.675) 8.028 4.243 ( 1.154 0.000 1.017) 1.538 4.364 ( 0.217 0.000 -0.951) 0.975 4.878 ( -1.161 0.000 5.953) 6.065 4.893 ( 0.107 0.000 3.492) 3.493 4.933 ( -0.667 0.000 0.980) 1.186 4.975 ( 0.464 0.000 -1.502) 1.572 5.527 ( 0.613 0.000 -9.947) 9.966 5.678 ( -6.540 0.000 -8.296) 10.564 6.285 ( 1.985 0.000 5.869) 6.196 6.385 ( -0.257 0.000 6.490) 6.495 6.395 ( -0.551 0.000 6.750) 6.772 6.688 ( 0.301 0.000 -2.697) 2.713 6.801 ( -0.756 0.000 -6.942) 6.983 6.824 ( 6.002 0.000 0.681) 6.041 6.914 ( -1.666 0.000 -6.558) 6.766 7.064 ( 0.037 0.000 4.209) 4.209 7.180 ( -0.568 0.000 -2.350) 2.418 7.337 ( -3.467 0.000 -0.790) 3.555 8.308 ( 0.090 0.000 2.008) 2.010 8.395 ( 0.109 0.000 1.003) 1.009 8.561 ( 1.317 0.000 -0.074) 1.319 8.664 ( 0.199 0.000 -0.813) 0.837 9.707 ( -1.556 0.000 -9.469) 9.596 9.770 ( -2.342 0.000 -2.441) 3.383 10.227 ( -0.015 0.000 6.389) 6.389 10.298 ( 4.481 0.000 -6.482) 7.880 11.585 ( -0.282 0.000 -0.956) 0.997 11.591 ( -1.356 0.000 -1.210) 1.817 11.645 ( 0.949 0.000 -1.257) 1.575 11.721 ( -2.563 0.000 1.831) 3.149 12.312 ( 0.149 0.000 -0.623) 0.640 12.366 ( 2.190 0.000 -0.180) 2.197 12.485 ( -1.887 0.000 -2.168) 2.874 12.561 ( 1.311 0.000 1.377) 1.901 12.657 ( -0.792 0.000 0.274) 0.838 12.697 ( -3.804 0.000 -1.498) 4.088 12.922 ( -3.376 0.000 6.104) 6.976 13.122 ( -3.879 0.000 -3.769) 5.409 20.784 ( 4.858 0.000 7.986) 9.348 20.854 ( 5.230 0.000 -4.771) 7.079 21.127 ( -0.013 0.000 -3.041) 3.041 21.271 ( 0.799 0.000 -3.203) 3.301 21.450 ( 1.191 0.000 -3.971) 4.145 21.451 ( -2.203 0.000 -0.603) 2.284 21.601 ( -1.140 0.000 0.236) 1.165 21.621 ( -0.801 0.000 0.974) 1.261 21.691 ( 2.887 0.000 4.987) 5.763 22.067 ( 1.541 0.000 4.907) 5.143 22.675 ( -13.332 0.000 2.622) 13.587 22.735 ( -0.535 0.000 -4.942) 4.971 22.836 ( -1.932 0.000 0.527) 2.003 22.860 ( -0.712 0.000 -0.253) 0.755 22.892 ( -1.276 0.000 1.805) 2.210 23.099 ( -6.997 0.000 -11.865) 13.775 ======================= Grid point 158 (70/90) ======================= q-point: ( 0.43 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.359 ( 7.837 0.000 -4.709) 9.143 0.454 ( -4.077 0.000 -0.631) 4.125 0.516 ( 4.119 0.000 -3.898) 5.671 0.584 ( -5.110 0.000 -0.362) 5.123 0.713 ( 1.339 0.000 0.365) 1.388 0.764 ( -3.126 0.000 -1.006) 3.284 0.896 ( 4.701 0.000 0.217) 4.706 0.909 ( 1.352 0.000 -1.338) 1.902 0.957 ( -0.606 0.000 -0.347) 0.698 0.978 ( 0.836 0.000 -0.450) 0.950 1.056 ( 0.824 0.000 4.423) 4.499 1.084 ( 1.530 0.000 -0.543) 1.623 1.164 ( -1.783 0.000 1.920) 2.620 1.174 ( -0.718 0.000 -3.318) 3.395 1.226 ( 0.764 0.000 -1.453) 1.642 1.254 ( -1.234 0.000 -2.091) 2.428 1.354 ( 1.276 0.000 1.966) 2.344 1.372 ( 2.454 0.000 -0.837) 2.593 1.383 ( 0.743 0.000 -0.854) 1.132 1.415 ( -3.310 0.000 1.112) 3.492 1.481 ( 1.292 0.000 -2.061) 2.432 1.490 ( -1.927 0.000 1.927) 2.725 1.580 ( 1.581 0.000 1.733) 2.346 1.623 ( -0.279 0.000 -0.536) 0.605 1.671 ( 0.085 0.000 1.407) 1.410 1.707 ( -2.871 0.000 -1.926) 3.457 1.805 ( 1.077 0.000 3.025) 3.211 1.848 ( -0.680 0.000 -3.107) 3.180 2.095 ( 0.862 0.000 0.304) 0.914 2.097 ( -0.642 0.000 2.572) 2.651 2.764 ( 1.513 0.000 3.053) 3.407 2.801 ( 0.777 0.000 -2.715) 2.825 3.109 ( 0.207 0.000 10.698) 10.700 3.126 ( 1.632 0.000 2.506) 2.991 3.236 ( -0.934 0.000 -3.814) 3.927 3.270 ( -0.371 0.000 -7.100) 7.110 3.376 ( 3.051 0.000 -2.763) 4.116 3.399 ( -0.130 0.000 1.017) 1.025 3.516 ( -1.313 0.000 -0.248) 1.336 3.561 ( -4.332 0.000 0.394) 4.350 3.648 ( 3.782 0.000 5.976) 7.072 3.800 ( -6.983 0.000 -5.625) 8.966 4.284 ( 1.695 0.000 2.220) 2.793 4.335 ( -1.374 0.000 -2.403) 2.768 4.923 ( -0.550 0.000 4.382) 4.417 4.928 ( 0.775 0.000 1.081) 1.330 4.940 ( -0.353 0.000 1.684) 1.720 4.958 ( -0.085 0.000 -2.052) 2.054 5.475 ( 2.744 0.000 -4.981) 5.687 5.524 ( -4.529 0.000 -3.180) 5.534 6.379 ( 2.916 0.000 3.875) 4.850 6.429 ( -1.961 0.000 2.800) 3.418 6.475 ( 1.716 0.000 7.823) 8.009 6.590 ( -2.522 0.000 -8.017) 8.404 6.763 ( 0.683 0.000 -0.708) 0.984 6.805 ( -0.860 0.000 -6.046) 6.107 7.026 ( 7.905 0.000 7.705) 11.039 7.105 ( 0.316 0.000 3.094) 3.110 7.145 ( -0.178 0.000 -3.095) 3.100 7.221 ( -6.830 0.000 -5.022) 8.477 8.338 ( 0.837 0.000 2.395) 2.537 8.379 ( -1.215 0.000 -1.738) 2.120 8.595 ( 2.046 0.000 1.201) 2.373 8.640 ( -1.378 0.000 -1.675) 2.169 9.675 ( 2.266 0.000 -0.889) 2.434 9.717 ( -1.764 0.000 -1.911) 2.601 10.272 ( -1.301 0.000 4.954) 5.122 10.293 ( 2.671 0.000 -5.550) 6.159 11.565 ( -0.173 0.000 -0.655) 0.678 11.569 ( -0.436 0.000 -0.651) 0.783 11.665 ( 2.128 0.000 -0.587) 2.208 11.694 ( -2.616 0.000 1.209) 2.882 12.319 ( 1.152 0.000 0.296) 1.189 12.357 ( -1.766 0.000 -1.830) 2.543 12.493 ( 4.190 0.000 0.538) 4.225 12.579 ( -4.353 0.000 1.569) 4.627 12.618 ( 0.333 0.000 -2.272) 2.296 12.639 ( -1.488 0.000 -0.167) 1.497 12.957 ( -0.918 0.000 6.594) 6.658 13.023 ( -1.115 0.000 -6.354) 6.451 20.884 ( 4.626 0.000 -4.789) 6.658 20.892 ( -2.512 0.000 6.797) 7.247 21.162 ( 2.591 0.000 4.511) 5.202 21.237 ( -0.152 0.000 -4.816) 4.819 21.425 ( -1.071 0.000 0.946) 1.429 21.431 ( 0.875 0.000 -2.936) 3.063 21.601 ( -0.054 0.000 1.106) 1.108 21.613 ( -0.522 0.000 -0.286) 0.595 21.846 ( 7.050 0.000 9.280) 11.654 22.047 ( -4.436 0.000 -6.735) 8.065 22.544 ( -9.349 0.000 13.126) 16.115 22.626 ( 0.873 0.000 -14.843) 14.869 22.831 ( 0.123 0.000 0.330) 0.352 22.843 ( -0.774 0.000 -0.485) 0.913 22.906 ( -0.439 0.000 2.966) 2.999 22.945 ( -0.198 0.000 -6.614) 6.617 ======================= Grid point 162 (71/90) ======================= q-point: ( 0.00 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.399 ( -1.863 -3.233 -8.789) 9.548 0.399 ( 1.863 -3.233 8.789) 9.548 0.486 ( 2.795 -2.166 -11.013) 11.567 0.486 ( -2.795 -2.166 11.013) 11.567 0.788 ( -0.870 -1.716 -2.139) 2.877 0.788 ( 0.870 -1.716 2.139) 2.877 0.878 ( -0.721 0.869 -1.981) 2.280 0.878 ( 0.721 0.869 1.981) 2.280 1.010 ( 0.216 2.498 -0.944) 2.679 1.010 ( -0.216 2.498 0.944) 2.679 1.098 ( -1.965 0.315 -2.202) 2.968 1.098 ( 1.965 0.315 2.202) 2.968 1.180 ( 1.189 3.740 -2.489) 4.647 1.180 ( -1.189 3.740 2.489) 4.647 1.243 ( -0.127 0.158 -3.903) 3.908 1.243 ( 0.127 0.158 3.903) 3.908 1.289 ( 0.380 0.968 -3.083) 3.254 1.289 ( -0.380 0.968 3.083) 3.254 1.478 ( -1.039 0.990 -2.679) 3.039 1.478 ( 1.039 0.990 2.679) 3.039 1.533 ( -0.349 1.869 -1.543) 2.449 1.533 ( 0.349 1.869 1.543) 2.449 1.575 ( 0.169 3.380 -5.136) 6.150 1.575 ( -0.169 3.380 5.136) 6.150 1.664 ( -0.219 -1.016 -0.342) 1.094 1.664 ( 0.219 -1.016 0.342) 1.094 1.864 ( -1.874 -0.807 -7.677) 7.944 1.864 ( 1.874 -0.807 7.677) 7.944 2.036 ( -0.649 0.439 -1.152) 1.394 2.036 ( 0.649 0.439 1.152) 1.394 2.712 ( 0.163 0.701 -1.639) 1.790 2.712 ( -0.163 0.701 1.639) 1.790 2.910 ( -1.473 1.907 -3.266) 4.059 2.910 ( 1.473 1.907 3.266) 4.059 3.199 ( -0.359 -2.020 -0.813) 2.207 3.199 ( 0.359 -2.020 0.813) 2.207 3.358 ( 2.282 -1.612 -1.467) 3.156 3.358 ( -2.282 -1.612 1.467) 3.156 3.610 ( -1.809 -1.021 -1.733) 2.705 3.610 ( 1.809 -1.021 1.733) 2.705 3.915 ( -2.484 -2.262 -3.508) 4.857 3.915 ( 2.484 -2.262 3.508) 4.857 4.333 ( -1.846 2.881 -3.401) 4.825 4.333 ( 1.846 2.881 3.401) 4.825 4.832 ( -0.378 -1.559 -2.820) 3.244 4.832 ( 0.378 -1.559 2.820) 3.244 4.949 ( 0.826 -0.788 -0.960) 1.492 4.949 ( -0.826 -0.788 0.960) 1.492 5.775 ( -1.247 0.429 -6.259) 6.396 5.775 ( 1.247 0.429 6.259) 6.396 6.270 ( -0.550 2.196 -4.153) 4.730 6.270 ( 0.550 2.196 4.153) 4.730 6.435 ( -4.584 0.078 -1.831) 4.937 6.435 ( 4.584 0.078 1.831) 4.937 6.862 ( 0.289 -4.393 -3.883) 5.870 6.862 ( -0.289 -4.393 3.883) 5.870 7.006 ( -1.284 -5.797 -2.755) 6.546 7.006 ( 1.284 -5.797 2.755) 6.546 7.206 ( -0.582 -6.289 -4.269) 7.623 7.206 ( 0.582 -6.289 4.269) 7.623 8.311 ( -0.976 0.306 -0.161) 1.035 8.311 ( 0.976 0.306 0.161) 1.035 8.583 ( -1.411 -1.916 -1.870) 3.026 8.583 ( 1.411 -1.916 1.870) 3.026 9.903 ( -2.271 -4.461 -4.544) 6.761 9.903 ( 2.271 -4.461 4.544) 6.761 10.120 ( -0.795 -5.789 -1.846) 6.128 10.120 ( 0.795 -5.789 1.846) 6.128 11.620 ( -1.010 2.322 -0.405) 2.564 11.620 ( 1.010 2.322 0.405) 2.564 11.741 ( 0.391 1.160 -3.236) 3.460 11.741 ( -0.391 1.160 3.236) 3.460 12.404 ( -0.029 6.524 -2.366) 6.940 12.404 ( 0.029 6.524 2.366) 6.940 12.549 ( -1.055 2.233 0.159) 2.475 12.549 ( 1.055 2.233 -0.159) 2.475 12.726 ( -3.303 2.757 -1.617) 4.596 12.726 ( 3.303 2.757 1.617) 4.596 13.076 ( -6.882 0.320 -1.077) 6.973 13.076 ( 6.882 0.320 1.077) 6.973 20.747 ( -1.246 0.457 -2.118) 2.499 20.747 ( 1.246 0.457 2.118) 2.499 21.286 ( -3.073 0.918 -3.049) 4.425 21.286 ( 3.073 0.918 3.049) 4.425 21.516 ( 3.198 2.825 -2.556) 4.974 21.516 ( -3.198 2.825 2.556) 4.974 21.661 ( -0.505 5.162 -2.207) 5.637 21.661 ( 0.505 5.162 2.207) 5.637 21.840 ( -3.533 3.459 -5.586) 7.460 21.840 ( 3.533 3.459 5.586) 7.460 22.765 ( 0.259 -0.445 -0.921) 1.055 22.765 ( -0.259 -0.445 0.921) 1.055 22.870 ( -0.104 -1.286 -0.161) 1.300 22.870 ( 0.104 -1.286 0.161) 1.300 23.025 ( -5.406 -16.444 -4.327) 17.843 23.025 ( 5.406 -16.444 4.327) 17.843 ======================= Grid point 164 (72/90) ======================= q-point: ( 0.14 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.298 ( 2.599 -2.411 -8.333) 9.055 0.441 ( 6.390 3.101 -6.257) 9.466 0.519 ( 1.128 -0.503 3.648) 3.851 0.579 ( 2.625 -7.610 5.544) 9.774 0.768 ( -0.644 -1.178 0.110) 1.347 0.841 ( -0.377 -1.987 2.127) 2.935 0.852 ( 1.655 1.740 0.828) 2.540 0.893 ( -1.414 3.244 0.520) 3.577 0.960 ( -3.658 1.737 -0.177) 4.053 0.974 ( -4.149 5.170 -2.422) 7.058 1.055 ( 1.594 0.427 -3.024) 3.445 1.137 ( 2.133 -0.457 -0.843) 2.339 1.173 ( 0.214 3.218 -2.169) 3.886 1.217 ( 2.024 0.792 0.350) 2.201 1.224 ( 0.907 -0.560 0.040) 1.066 1.280 ( 0.650 0.809 0.886) 1.364 1.299 ( 2.873 0.557 0.376) 2.951 1.327 ( 0.326 2.474 3.393) 4.211 1.403 ( -1.145 2.242 -5.946) 6.457 1.487 ( -0.172 1.977 -1.868) 2.726 1.509 ( -1.640 0.441 -0.639) 1.814 1.542 ( -1.826 2.225 1.210) 3.122 1.553 ( 0.940 1.263 1.837) 2.420 1.627 ( 1.211 3.583 1.710) 4.151 1.668 ( 0.577 -0.976 0.189) 1.150 1.695 ( 1.285 -0.884 2.013) 2.547 1.771 ( -0.970 -0.116 -4.511) 4.615 1.968 ( 0.604 -1.035 7.751) 7.843 1.995 ( -2.165 0.428 -2.235) 3.141 2.050 ( 0.204 0.066 0.745) 0.775 2.694 ( -0.160 1.792 -0.827) 1.980 2.737 ( 1.550 -1.104 0.855) 2.087 2.885 ( 1.061 -0.079 -0.358) 1.122 2.979 ( 1.749 -1.214 3.522) 4.116 3.212 ( 2.584 0.099 0.838) 2.719 3.250 ( 3.705 -2.473 0.591) 4.494 3.321 ( -2.527 -3.031 -0.970) 4.064 3.375 ( 2.099 -0.074 -2.050) 2.935 3.562 ( -2.143 -1.050 0.202) 2.395 3.642 ( 0.272 -0.687 0.422) 0.851 3.805 ( -5.622 -1.412 -4.487) 7.330 3.952 ( -1.275 -3.738 1.334) 4.169 4.265 ( -1.723 2.631 -3.408) 4.638 4.375 ( 0.525 0.816 0.242) 1.000 4.816 ( -0.810 -1.561 2.119) 2.754 4.875 ( -0.334 -0.258 5.042) 5.060 4.934 ( -0.945 -0.568 0.239) 1.128 4.960 ( 1.174 -0.969 -1.073) 1.862 5.689 ( -0.857 4.449 -6.136) 7.628 5.819 ( -1.592 -0.549 0.987) 1.952 6.244 ( -0.121 2.914 1.137) 3.130 6.328 ( -0.237 0.464 6.060) 6.083 6.376 ( -2.829 1.075 2.430) 3.881 6.554 ( 5.560 -1.834 4.731) 7.527 6.805 ( -0.944 -4.018 -5.424) 6.816 6.870 ( -0.202 -3.428 -3.799) 5.121 6.931 ( -2.167 -6.737 -4.415) 8.341 7.024 ( -0.576 -3.025 1.168) 3.294 7.161 ( -0.479 -5.151 -2.887) 5.924 7.253 ( -0.013 -8.664 2.783) 9.100 8.293 ( -0.975 -0.042 0.907) 1.332 8.349 ( 2.477 -0.295 0.146) 2.498 8.550 ( -0.227 -1.005 -1.278) 1.641 8.623 ( 1.367 -2.473 1.145) 3.049 9.794 ( -3.240 -3.674 -6.292) 7.974 9.890 ( -4.919 -2.557 -4.039) 6.860 10.097 ( 0.692 -5.018 5.378) 7.388 10.199 ( 4.884 -6.443 -2.561) 8.481 11.599 ( -1.262 1.634 0.184) 2.073 11.645 ( 1.372 3.139 0.390) 3.448 11.699 ( -1.182 1.383 -3.215) 3.694 11.757 ( -1.221 1.840 2.343) 3.220 12.369 ( -1.254 4.780 -1.958) 5.315 12.420 ( -0.214 6.342 1.571) 6.537 12.553 ( 0.808 2.560 0.218) 2.693 12.573 ( 0.842 3.726 -0.362) 3.837 12.658 ( -2.630 -0.076 -0.892) 2.778 12.783 ( 2.012 4.664 0.357) 5.092 12.958 ( -7.468 -0.416 1.943) 7.727 13.168 ( 0.719 0.185 2.795) 2.892 20.698 ( -0.057 0.641 0.029) 0.644 20.820 ( 5.353 1.005 -2.209) 5.878 21.190 ( -3.080 -1.184 -4.920) 5.925 21.341 ( 1.791 3.302 -0.669) 3.815 21.474 ( -4.080 -0.967 1.234) 4.370 21.522 ( 1.453 5.721 -3.366) 6.795 21.649 ( -0.279 2.902 1.268) 3.179 21.700 ( 0.448 7.454 3.043) 8.063 21.741 ( -2.656 6.605 -2.484) 7.540 21.953 ( 3.199 0.556 6.014) 6.834 22.747 ( -4.069 -3.827 -0.350) 5.597 22.764 ( -0.755 -0.372 -0.067) 0.844 22.842 ( -3.865 -5.062 -2.017) 6.680 22.863 ( -0.745 -2.499 -0.547) 2.664 22.874 ( -4.124 -7.005 0.711) 8.160 23.104 ( -1.852 -14.757 1.009) 14.907 ======================= Grid point 165 (73/90) ======================= q-point: ( 0.29 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.347 ( 7.522 7.352 0.430) 10.527 0.516 ( 6.406 2.798 -3.364) 7.758 0.536 ( -1.630 1.401 3.545) 4.145 0.659 ( 2.330 -8.701 0.350) 9.015 0.749 ( -0.685 2.442 -1.969) 3.210 0.794 ( -4.434 -0.696 -1.285) 4.669 0.862 ( -1.141 3.373 -1.438) 3.841 0.893 ( 2.331 6.504 -1.425) 7.055 0.909 ( -0.420 -0.727 -0.054) 0.841 0.966 ( 0.040 0.526 6.088) 6.110 1.041 ( 0.523 0.600 -3.557) 3.645 1.131 ( -0.550 -1.191 -1.250) 1.813 1.170 ( 0.242 3.012 -0.464) 3.057 1.240 ( 2.038 1.961 -0.756) 2.927 1.256 ( 2.462 -0.753 -1.876) 3.185 1.292 ( 0.430 1.887 -0.380) 1.972 1.321 ( 0.801 3.114 -1.764) 3.667 1.356 ( 1.142 2.741 0.828) 3.082 1.378 ( 0.931 0.205 -0.672) 1.166 1.451 ( -1.131 -0.371 -1.117) 1.632 1.487 ( -0.994 0.584 1.028) 1.545 1.521 ( -2.244 2.251 1.445) 3.491 1.602 ( 0.931 2.017 3.048) 3.772 1.645 ( 0.650 2.699 -2.197) 3.540 1.669 ( -0.084 1.320 0.834) 1.563 1.715 ( 0.119 -1.932 1.065) 2.209 1.768 ( 1.700 -0.102 0.284) 1.727 1.917 ( -3.519 0.909 -2.905) 4.653 2.037 ( 0.088 -2.336 3.905) 4.551 2.063 ( -0.324 -0.946 2.066) 2.295 2.704 ( 1.721 0.525 0.522) 1.874 2.768 ( 1.638 -2.503 -0.475) 3.029 2.944 ( 2.411 -3.875 6.205) 7.703 3.016 ( -1.152 -3.783 3.242) 5.114 3.244 ( -2.310 -5.349 -3.522) 6.808 3.284 ( 2.053 -2.843 -4.519) 5.720 3.307 ( 5.169 0.429 1.672) 5.450 3.396 ( 2.143 1.130 -0.754) 2.537 3.564 ( -1.016 -0.490 4.090) 4.242 3.621 ( -1.941 0.358 -1.777) 2.656 3.668 ( -5.011 0.728 -3.068) 5.921 3.895 ( -5.072 -4.222 -2.301) 6.989 4.225 ( 0.434 0.334 -1.775) 1.858 4.354 ( -1.215 -1.966 -2.573) 3.458 4.848 ( -0.262 -0.834 5.195) 5.268 4.914 ( -0.650 0.399 3.686) 3.764 4.927 ( -0.417 -0.423 0.763) 0.966 4.962 ( 0.553 -0.897 -1.450) 1.792 5.632 ( -0.149 8.119 -3.599) 8.882 5.740 ( -4.491 4.571 -4.499) 7.830 6.294 ( 1.763 1.629 5.150) 5.682 6.379 ( -0.318 -0.547 6.063) 6.096 6.396 ( -1.069 0.247 5.872) 5.974 6.664 ( 0.891 -2.495 -0.393) 2.678 6.735 ( 0.067 -5.445 -3.899) 6.697 6.829 ( 3.556 -0.527 -3.192) 4.807 6.851 ( -1.091 -5.633 -5.988) 8.293 7.041 ( 0.299 -2.993 2.428) 3.866 7.124 ( -0.973 -5.413 -2.337) 5.976 7.244 ( -2.629 -8.952 -0.736) 9.359 8.298 ( 0.122 -0.545 1.418) 1.524 8.376 ( 0.772 -1.306 -0.678) 1.661 8.554 ( 1.300 -0.523 0.276) 1.428 8.644 ( 0.198 -2.138 0.262) 2.163 9.690 ( -0.094 -0.973 -6.605) 6.677 9.782 ( -3.261 -0.107 -2.579) 4.159 10.169 ( 1.637 -5.999 3.303) 7.041 10.228 ( 2.217 -6.033 -2.512) 6.901 11.584 ( -1.027 1.590 0.645) 1.999 11.645 ( -1.059 2.445 -3.185) 4.153 11.672 ( 1.658 3.351 0.052) 3.739 11.751 ( -2.023 2.688 1.773) 3.803 12.334 ( -0.636 2.926 -1.451) 3.327 12.429 ( -0.924 4.513 0.191) 4.611 12.524 ( -0.999 3.869 -2.540) 4.735 12.587 ( 1.217 2.244 1.105) 2.782 12.645 ( -0.238 0.184 0.474) 0.561 12.762 ( -3.939 4.871 -1.702) 6.491 12.921 ( -0.836 0.264 4.382) 4.469 13.142 ( -4.189 1.724 -0.918) 4.622 20.769 ( 4.332 -0.680 5.534) 7.060 20.871 ( 4.893 1.545 -3.807) 6.389 21.107 ( -1.325 -2.113 -3.168) 4.032 21.313 ( -2.637 1.385 -3.449) 4.557 21.439 ( -0.005 -0.362 -0.544) 0.653 21.503 ( -0.056 5.608 -2.295) 6.060 21.676 ( 0.361 2.571 3.125) 4.063 21.721 ( -0.401 7.085 2.172) 7.422 21.727 ( 0.813 8.889 2.393) 9.241 22.057 ( 2.678 -0.412 3.591) 4.499 22.583 ( -14.002 -9.688 3.085) 17.304 22.717 ( -1.825 -2.793 -7.133) 7.875 22.815 ( 0.414 -1.470 0.138) 1.534 22.848 ( -0.026 -3.450 -0.673) 3.515 22.858 ( 0.095 -1.386 -0.212) 1.405 23.007 ( -5.522 -6.373 -3.730) 9.220 ======================= Grid point 166 (74/90) ======================= q-point: ( 0.43 0.10 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.482 ( 6.114 10.380 0.602) 12.062 0.524 ( -2.599 6.215 3.921) 7.795 0.587 ( 3.750 3.469 -1.340) 5.281 0.639 ( -1.913 -1.206 -1.273) 2.596 0.701 ( -1.150 0.787 -1.513) 2.056 0.735 ( -2.782 -0.395 -2.791) 3.961 0.856 ( 1.973 -2.650 2.919) 4.408 0.912 ( 0.392 -0.492 -1.243) 1.393 0.946 ( 1.210 1.044 0.683) 1.738 0.972 ( -1.373 -0.990 -2.922) 3.377 1.050 ( 2.287 1.984 4.596) 5.503 1.133 ( -1.037 0.830 -1.385) 1.920 1.162 ( 1.104 3.142 1.150) 3.523 1.230 ( -0.797 2.172 -5.582) 6.043 1.253 ( 0.515 3.152 0.673) 3.264 1.278 ( -1.019 2.750 -0.927) 3.076 1.359 ( 2.665 0.494 1.756) 3.230 1.373 ( 0.995 0.558 -0.336) 1.189 1.384 ( 1.154 1.062 -0.883) 1.800 1.426 ( -2.745 0.420 0.048) 2.777 1.493 ( 0.096 1.093 1.182) 1.613 1.504 ( -0.490 2.192 -0.263) 2.261 1.628 ( 1.292 3.566 1.071) 3.941 1.653 ( 0.785 2.049 0.406) 2.232 1.679 ( -0.128 1.135 0.568) 1.275 1.702 ( -2.346 -0.477 -0.761) 2.513 1.802 ( 1.308 -0.231 1.639) 2.109 1.844 ( -1.639 -0.166 -2.540) 3.028 2.062 ( 0.627 -3.110 0.584) 3.226 2.072 ( -0.999 -2.723 1.382) 3.212 2.746 ( 1.800 -1.440 1.329) 2.661 2.775 ( 0.110 -2.440 -1.214) 2.727 3.039 ( 0.407 -6.644 4.396) 7.977 3.059 ( 0.705 -4.285 7.087) 8.312 3.160 ( -0.960 -6.003 -3.713) 7.123 3.222 ( -1.178 -3.895 -7.872) 8.861 3.409 ( 3.238 -0.010 1.238) 3.467 3.418 ( 1.667 1.130 -0.855) 2.189 3.535 ( -1.752 2.305 0.935) 3.042 3.579 ( -3.677 0.940 -1.118) 3.956 3.658 ( 2.651 1.037 4.517) 5.339 3.770 ( -4.665 -1.812 -5.222) 7.233 4.244 ( 2.363 -2.321 0.519) 3.353 4.299 ( -2.363 -3.109 -2.193) 4.479 4.898 ( 0.309 -0.936 3.864) 3.988 4.926 ( -0.179 -0.740 -0.563) 0.947 4.934 ( -0.280 0.084 1.797) 1.821 4.950 ( -0.029 -0.401 -1.429) 1.484 5.609 ( 0.639 10.031 -1.259) 10.130 5.639 ( -2.644 9.103 -2.515) 9.807 6.381 ( 2.686 0.432 3.431) 4.379 6.422 ( -1.884 -0.486 2.861) 3.460 6.459 ( 1.551 -1.473 7.320) 7.626 6.573 ( -2.829 -1.747 -7.685) 8.374 6.728 ( 0.736 -3.522 -0.066) 3.599 6.768 ( -0.779 -3.726 -5.394) 6.602 6.954 ( 6.259 -5.744 5.240) 9.981 7.064 ( -0.618 -5.786 -2.354) 6.277 7.090 ( -0.338 -4.201 1.955) 4.646 7.161 ( -4.013 -6.172 -3.682) 8.232 8.324 ( 0.797 -0.910 2.064) 2.392 8.360 ( -0.702 -1.316 -2.102) 2.578 8.591 ( 1.925 -0.552 1.290) 2.382 8.631 ( -1.303 -1.251 -0.958) 2.044 9.676 ( 2.367 -0.022 -0.935) 2.545 9.720 ( -2.302 -0.094 -1.501) 2.750 10.210 ( 0.758 -6.163 1.357) 6.356 10.227 ( 0.407 -5.902 -1.559) 6.118 11.583 ( -0.420 2.087 1.611) 2.670 11.604 ( -0.280 2.449 -2.679) 3.641 11.701 ( 2.095 3.537 -0.342) 4.125 11.730 ( -2.323 3.295 1.050) 4.166 12.328 ( 1.255 1.822 -0.250) 2.227 12.373 ( -3.302 1.898 -1.503) 4.094 12.547 ( 4.288 4.362 -0.164) 6.119 12.610 ( -2.175 2.397 1.776) 3.692 12.635 ( 0.234 1.759 -0.211) 1.787 12.675 ( -3.247 3.237 -1.714) 4.895 12.978 ( 1.682 2.335 4.285) 5.162 13.055 ( -3.035 2.975 -3.537) 5.529 20.874 ( -0.390 -0.692 6.359) 6.409 20.898 ( 3.568 0.996 -5.013) 6.234 21.115 ( 2.905 -3.477 2.877) 5.367 21.216 ( -3.569 -2.136 -4.853) 6.391 21.450 ( 1.474 2.109 -0.259) 2.586 21.476 ( -1.276 4.005 -0.808) 4.280 21.701 ( -0.169 6.981 2.072) 7.284 21.718 ( -0.374 7.967 -0.757) 8.012 21.854 ( 6.182 2.374 9.174) 11.314 22.045 ( -3.847 0.419 -7.122) 8.105 22.470 ( -7.399 -7.413 12.720) 16.477 22.572 ( -0.225 -5.602 -14.898) 15.918 22.826 ( 0.363 -0.398 0.610) 0.814 22.838 ( -0.262 -0.617 -0.747) 1.004 22.875 ( 1.616 -2.432 0.467) 2.957 22.916 ( -2.584 -2.066 -1.431) 3.604 ======================= Grid point 170 (75/90) ======================= q-point: ( 0.00 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.369 ( 1.839 6.332 -2.700) 7.125 0.369 ( -1.839 6.332 2.700) 7.125 0.570 ( 3.270 6.041 -7.953) 10.509 0.570 ( -3.270 6.041 7.953) 10.509 0.783 ( -1.278 0.867 -2.023) 2.546 0.783 ( 1.278 0.867 2.023) 2.546 0.885 ( -0.378 -0.052 -3.999) 4.017 0.885 ( 0.378 -0.052 3.999) 4.017 1.038 ( 1.463 0.656 -1.460) 2.168 1.038 ( -1.463 0.656 1.460) 2.168 1.124 ( 1.515 2.855 -1.437) 3.537 1.124 ( -1.515 2.855 1.437) 3.537 1.238 ( 0.324 -0.864 -1.629) 1.872 1.238 ( -0.324 -0.864 1.629) 1.872 1.254 ( -0.352 3.266 -1.355) 3.553 1.254 ( 0.352 3.266 1.355) 3.553 1.317 ( 0.101 1.367 -3.637) 3.887 1.317 ( -0.101 1.367 3.637) 3.887 1.493 ( -2.119 0.765 -3.477) 4.143 1.493 ( 2.119 0.765 3.477) 4.143 1.555 ( 1.569 0.199 -1.621) 2.265 1.555 ( -1.569 0.199 1.621) 2.265 1.639 ( 1.222 -0.789 -2.412) 2.817 1.639 ( -1.222 -0.789 2.412) 2.817 1.673 ( -1.282 3.923 -2.034) 4.601 1.673 ( 1.282 3.923 2.034) 4.601 1.864 ( -0.938 2.274 -7.496) 7.889 1.864 ( 0.938 2.274 7.496) 7.889 2.047 ( 0.346 0.496 -0.888) 1.074 2.047 ( -0.346 0.496 0.888) 1.074 2.718 ( 0.738 0.358 -2.975) 3.086 2.718 ( -0.738 0.358 2.975) 3.086 2.937 ( -1.739 0.153 -2.852) 3.344 2.937 ( 1.739 0.153 2.852) 3.344 3.144 ( -2.412 -2.791 -0.600) 3.737 3.144 ( 2.412 -2.791 0.600) 3.737 3.334 ( -1.152 -0.712 -0.785) 1.565 3.334 ( 1.152 -0.712 0.785) 1.565 3.566 ( -0.347 -3.640 -2.272) 4.305 3.566 ( 0.347 -3.640 2.272) 4.305 3.858 ( -0.538 -3.599 -5.623) 6.698 3.858 ( 0.538 -3.599 5.623) 6.698 4.354 ( -0.357 -0.621 -2.001) 2.125 4.354 ( 0.357 -0.621 2.001) 2.125 4.800 ( -0.624 -1.652 -2.371) 2.956 4.800 ( 0.624 -1.652 2.371) 2.956 4.936 ( 0.932 -0.308 -1.084) 1.462 4.936 ( -0.932 -0.308 1.084) 1.462 5.830 ( -0.625 5.147 -1.876) 5.513 5.830 ( 0.625 5.147 1.876) 5.513 6.324 ( 0.267 3.124 -2.324) 3.902 6.324 ( -0.267 3.124 2.324) 3.902 6.439 ( -2.833 0.326 -0.947) 3.005 6.439 ( 2.833 0.326 0.947) 3.005 6.750 ( -1.655 -6.593 -0.864) 6.852 6.750 ( 1.655 -6.593 0.864) 6.852 6.853 ( -1.271 -9.620 -4.088) 10.530 6.853 ( 1.271 -9.620 4.088) 10.530 7.044 ( 0.704 -9.858 -2.433) 10.178 7.044 ( -0.704 -9.858 2.433) 10.178 8.324 ( -1.248 1.051 -0.221) 1.647 8.324 ( 1.248 1.051 0.221) 1.647 8.538 ( -0.606 -2.460 -1.270) 2.834 8.538 ( 0.606 -2.460 1.270) 2.834 9.813 ( -0.319 -4.350 -5.202) 6.788 9.813 ( 0.319 -4.350 5.202) 6.788 9.993 ( -1.193 -6.874 -4.029) 8.057 9.993 ( 1.193 -6.874 4.029) 8.057 11.681 ( -1.547 3.675 -0.492) 4.017 11.681 ( 1.547 3.675 0.492) 4.017 11.768 ( 0.497 1.640 -4.157) 4.496 11.768 ( -0.497 1.640 4.157) 4.496 12.521 ( -0.242 5.029 -2.909) 5.815 12.521 ( 0.242 5.029 2.909) 5.815 12.597 ( -0.333 2.371 -0.576) 2.462 12.597 ( 0.333 2.371 0.576) 2.462 12.790 ( -4.383 3.347 -1.813) 5.805 12.790 ( 4.383 3.347 1.813) 5.805 13.088 ( -3.699 0.808 -4.693) 6.030 13.088 ( 3.699 0.808 4.693) 6.030 20.764 ( -1.598 1.167 -3.728) 4.221 20.764 ( 1.598 1.167 3.728) 4.221 21.256 ( -4.125 -3.378 -5.328) 7.537 21.256 ( 4.125 -3.378 5.328) 7.537 21.546 ( -1.998 -0.190 -2.154) 2.944 21.546 ( 1.998 -0.190 2.154) 2.944 21.796 ( -0.908 7.858 -5.360) 9.555 21.796 ( 0.908 7.858 5.360) 9.555 21.958 ( -1.996 7.544 -2.684) 8.253 21.958 ( 1.996 7.544 2.684) 8.253 22.600 ( -2.422 -19.613 -2.404) 19.908 22.600 ( 2.422 -19.613 2.404) 19.908 22.774 ( -0.854 -0.667 -0.413) 1.160 22.774 ( 0.854 -0.667 0.413) 1.160 22.880 ( -1.117 -0.905 -3.503) 3.787 22.880 ( 1.117 -0.905 3.503) 3.787 ======================= Grid point 172 (76/90) ======================= q-point: ( 0.14 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.411 ( 2.262 -1.495 2.819) 3.911 0.434 ( 3.430 12.544 6.496) 14.537 0.547 ( 3.701 6.781 -4.707) 9.046 0.579 ( -1.780 2.463 1.284) 3.299 0.759 ( -2.250 -0.020 0.568) 2.321 0.843 ( -0.237 0.263 -1.634) 1.672 0.848 ( 2.456 0.617 2.725) 3.720 0.925 ( -1.050 0.107 4.485) 4.607 0.991 ( -3.211 1.430 0.662) 3.577 1.070 ( 0.725 1.464 -2.101) 2.662 1.094 ( -2.005 5.075 0.944) 5.538 1.133 ( 0.950 0.683 0.237) 1.194 1.214 ( -0.138 1.048 -2.383) 2.606 1.233 ( 1.037 1.213 -1.117) 1.948 1.276 ( 0.532 -0.484 0.112) 0.728 1.286 ( 0.874 1.667 -1.199) 2.231 1.302 ( 1.672 2.229 2.557) 3.782 1.356 ( 0.836 1.011 2.140) 2.510 1.424 ( -1.080 0.258 -3.658) 3.823 1.523 ( -2.396 0.520 1.718) 2.994 1.561 ( 2.153 1.518 -2.381) 3.551 1.561 ( 0.133 0.638 2.155) 2.251 1.614 ( -1.193 5.018 -2.590) 5.772 1.644 ( -0.019 -0.707 1.089) 1.298 1.678 ( 2.666 -0.079 0.094) 2.669 1.710 ( 1.192 2.606 1.058) 3.055 1.783 ( 0.167 2.809 -5.960) 6.591 1.943 ( 0.142 -0.225 5.275) 5.282 2.017 ( -2.529 1.299 -0.584) 2.902 2.050 ( -0.084 -0.193 -0.351) 0.409 2.703 ( 1.186 -0.518 -2.646) 2.945 2.734 ( -0.686 1.065 2.212) 2.549 2.877 ( -2.019 -1.175 -1.238) 2.644 2.979 ( -0.104 1.800 2.226) 2.865 3.121 ( -0.384 -8.020 0.186) 8.032 3.206 ( 3.732 -1.400 -0.868) 4.079 3.312 ( 0.469 0.974 -1.922) 2.205 3.362 ( 2.410 -1.378 -0.605) 2.842 3.525 ( -1.961 -2.779 0.849) 3.506 3.597 ( 0.782 -3.761 0.220) 3.848 3.763 ( -3.204 -2.600 -5.303) 6.719 3.891 ( -1.840 -3.236 1.960) 4.207 4.307 ( -1.839 1.186 -2.870) 3.609 4.354 ( -0.739 -2.220 -1.866) 2.993 4.797 ( -0.270 -0.918 3.042) 3.189 4.854 ( 0.269 -1.790 5.691) 5.972 4.927 ( -0.711 -0.011 0.568) 0.910 4.944 ( 1.046 -0.435 -0.987) 1.502 5.799 ( -0.424 6.163 -2.067) 6.514 5.846 ( -0.107 4.003 -0.144) 4.007 6.315 ( -0.038 3.673 0.812) 3.762 6.345 ( -1.108 1.243 3.555) 3.926 6.406 ( -2.165 1.789 2.418) 3.706 6.510 ( 3.019 -2.301 3.335) 5.053 6.700 ( -2.261 -6.232 -2.781) 7.189 6.767 ( 0.099 -7.928 -2.307) 8.257 6.797 ( 1.577 -5.630 -4.880) 7.616 6.908 ( 1.624 -9.018 1.551) 9.293 7.022 ( -0.215 -8.762 -2.430) 9.095 7.045 ( -1.540 -11.513 1.376) 11.697 8.303 ( -0.958 1.098 0.212) 1.472 8.352 ( 1.709 0.525 -0.456) 1.846 8.523 ( 0.144 -1.776 -0.324) 1.811 8.565 ( 1.025 -3.001 1.109) 3.360 9.736 ( -0.972 -2.299 -6.002) 6.500 9.818 ( -3.075 -4.235 -0.886) 5.308 9.969 ( 1.947 -7.358 0.385) 7.621 10.063 ( 1.728 -7.120 2.864) 7.867 11.652 ( -1.702 3.392 0.281) 3.805 11.713 ( 1.588 3.223 -1.548) 3.912 11.730 ( -0.157 2.148 -1.595) 2.680 11.799 ( -0.544 2.294 2.921) 3.754 12.468 ( -2.079 5.076 -2.538) 6.044 12.531 ( -1.144 4.756 1.815) 5.218 12.607 ( 1.078 2.490 0.503) 2.759 12.635 ( 2.055 1.829 1.315) 3.049 12.689 ( -4.813 3.438 -2.767) 6.531 12.879 ( 4.661 3.854 1.010) 6.131 12.963 ( -6.102 1.865 -2.966) 7.036 13.171 ( 0.095 0.119 4.339) 4.341 20.718 ( 0.663 1.418 -1.156) 1.946 20.845 ( 3.918 1.357 1.219) 4.322 21.132 ( -3.929 -4.215 -4.406) 7.254 21.362 ( 3.305 -1.029 0.948) 3.589 21.450 ( -6.199 -1.403 0.365) 6.366 21.604 ( 2.080 0.813 -0.232) 2.245 21.736 ( -0.223 6.124 -4.302) 7.487 21.872 ( 1.521 9.221 4.467) 10.359 21.892 ( -2.267 8.081 -1.122) 8.468 22.009 ( 2.752 4.121 -0.116) 4.957 22.476 ( -9.262 -18.620 0.468) 20.802 22.644 ( 0.362 -15.549 -1.527) 15.628 22.759 ( 0.039 -0.171 -0.427) 0.461 22.792 ( 0.746 -0.321 0.585) 1.001 22.845 ( -0.463 -0.797 -1.001) 1.361 22.934 ( -1.073 -2.846 5.294) 6.105 ======================= Grid point 173 (77/90) ======================= q-point: ( 0.29 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.468 ( 1.772 -5.368 1.300) 5.800 0.565 ( 0.759 4.306 3.830) 5.813 0.580 ( 3.430 9.386 5.705) 11.507 0.595 ( 3.658 3.555 -1.890) 5.440 0.713 ( -1.098 -1.661 -0.135) 1.996 0.820 ( -1.794 0.461 -1.449) 2.351 0.898 ( 0.173 0.968 0.961) 1.375 0.928 ( -2.446 2.378 0.638) 3.470 0.957 ( -1.667 -0.637 1.658) 2.436 1.044 ( -1.211 4.706 -0.633) 4.900 1.082 ( -0.542 3.526 -1.036) 3.715 1.127 ( -1.424 1.003 1.441) 2.261 1.222 ( 1.717 1.220 0.313) 2.129 1.241 ( 1.114 0.395 -0.986) 1.539 1.285 ( 2.522 2.101 -1.678) 3.686 1.301 ( 0.439 -0.269 0.845) 0.989 1.340 ( 0.928 -0.089 -0.126) 0.941 1.386 ( 1.378 2.281 0.897) 2.811 1.403 ( 0.462 -1.045 0.457) 1.231 1.507 ( -0.591 1.906 0.420) 2.040 1.535 ( -0.295 4.916 -3.386) 5.976 1.573 ( -0.420 2.906 -0.144) 2.940 1.617 ( 0.565 0.978 3.734) 3.901 1.659 ( 0.987 -0.836 -0.416) 1.359 1.701 ( 1.114 1.407 -1.918) 2.627 1.738 ( 1.378 3.427 0.121) 3.696 1.766 ( 2.443 1.275 -1.657) 3.216 1.943 ( -3.500 1.408 -1.478) 4.052 1.982 ( -1.648 -2.140 2.478) 3.665 2.036 ( -1.006 -1.967 -0.787) 2.345 2.705 ( 2.116 -1.146 -2.122) 3.208 2.739 ( -1.016 0.920 1.430) 1.981 2.865 ( -0.264 -3.474 2.651) 4.378 2.994 ( -0.546 1.556 2.528) 3.018 3.091 ( -1.586 -8.690 -3.395) 9.464 3.224 ( 1.331 -3.141 -5.153) 6.180 3.315 ( 2.109 -0.328 0.083) 2.136 3.399 ( 1.619 -0.946 0.432) 1.924 3.544 ( 0.955 -1.065 3.666) 3.935 3.594 ( 0.016 -2.878 -1.906) 3.452 3.674 ( -2.042 -0.461 -2.358) 3.153 3.844 ( -4.340 -2.012 -0.747) 4.841 4.250 ( -1.819 1.619 -1.751) 2.999 4.303 ( -1.709 -2.495 -3.417) 4.563 4.840 ( 0.400 -0.416 4.546) 4.582 4.908 ( -0.453 -1.111 4.623) 4.776 4.927 ( -0.249 0.485 0.819) 0.984 4.948 ( 0.725 -0.397 -1.215) 1.469 5.779 ( 0.080 6.270 -1.301) 6.404 5.823 ( -1.213 4.648 -1.610) 5.066 6.346 ( 0.952 2.757 3.486) 4.546 6.366 ( -1.055 -0.777 4.553) 4.738 6.412 ( -1.336 1.059 3.569) 3.956 6.591 ( 2.050 -4.902 3.559) 6.396 6.623 ( -2.663 -4.874 -4.375) 7.071 6.721 ( -0.470 -7.313 -4.338) 8.516 6.799 ( 3.719 -2.560 -4.071) 6.080 6.939 ( 1.425 -7.364 0.047) 7.501 6.989 ( -1.382 -8.028 -1.603) 8.302 7.024 ( -1.846 -12.517 0.149) 12.653 8.301 ( 0.114 0.896 0.735) 1.165 8.362 ( 0.569 -0.053 -1.261) 1.384 8.537 ( 1.223 -1.487 0.635) 2.027 8.588 ( 0.371 -3.166 0.846) 3.298 9.675 ( 0.830 -0.629 -4.891) 5.001 9.752 ( -2.881 -2.538 -1.189) 4.019 10.018 ( 3.040 -8.483 -0.021) 9.011 10.099 ( -0.473 -7.051 2.078) 7.366 11.634 ( -1.285 3.089 1.007) 3.494 11.680 ( -0.129 1.554 -3.536) 3.865 11.754 ( 1.611 4.324 0.565) 4.649 11.810 ( -1.146 3.083 2.008) 3.854 12.416 ( -1.473 5.080 -1.699) 5.555 12.521 ( -3.381 4.805 0.450) 5.892 12.598 ( -0.535 2.978 -2.639) 4.015 12.632 ( 0.950 2.231 1.181) 2.696 12.671 ( 0.635 2.144 0.613) 2.318 12.840 ( -5.693 2.167 -2.242) 6.491 12.964 ( 4.625 4.758 1.127) 6.731 13.175 ( -3.435 1.491 2.225) 4.356 20.772 ( 4.291 0.921 3.055) 5.347 20.903 ( 3.157 1.427 -0.837) 3.564 21.051 ( -1.571 -3.317 -2.707) 4.560 21.295 ( -6.352 -2.788 -3.051) 7.578 21.453 ( 2.266 1.409 1.388) 3.008 21.603 ( -0.246 2.971 -2.660) 3.995 21.712 ( 0.838 2.917 -0.677) 3.110 21.851 ( -2.292 4.582 0.766) 5.180 21.926 ( 0.987 8.955 1.018) 9.067 22.083 ( 5.507 3.095 1.530) 6.500 22.326 ( -10.233 -15.186 1.882) 18.408 22.579 ( -3.850 -9.036 -4.717) 10.896 22.777 ( 1.778 -1.193 0.590) 2.221 22.809 ( 0.470 -0.442 0.842) 1.060 22.837 ( 0.218 -0.905 -0.537) 1.075 22.933 ( -3.933 -2.108 2.738) 5.236 ======================= Grid point 174 (78/90) ======================= q-point: ( 0.43 0.20 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.503 ( 2.077 -6.240 0.515) 6.596 0.555 ( -2.859 -4.236 -1.513) 5.330 0.633 ( 2.980 3.612 3.415) 5.795 0.699 ( 1.267 8.903 2.111) 9.238 0.756 ( 0.029 3.429 -0.529) 3.469 0.771 ( 2.521 1.744 1.509) 3.417 0.859 ( -1.964 2.428 -0.833) 3.232 0.913 ( -1.144 0.908 -1.404) 2.026 0.947 ( -2.419 0.164 0.036) 2.425 0.955 ( -2.050 0.085 -2.680) 3.376 1.129 ( 1.481 3.501 4.367) 5.790 1.146 ( 0.542 1.043 1.744) 2.103 1.224 ( -0.606 2.493 -0.502) 2.614 1.234 ( 0.735 -0.828 -3.603) 3.769 1.299 ( 0.404 0.563 0.714) 0.995 1.315 ( 0.130 0.722 -1.148) 1.362 1.369 ( 2.350 0.605 1.782) 3.011 1.410 ( -0.838 -0.683 0.067) 1.083 1.429 ( 1.728 3.502 1.663) 4.245 1.475 ( -0.723 4.988 -3.641) 6.218 1.533 ( -0.135 2.422 2.773) 3.684 1.561 ( -0.114 3.478 -1.924) 3.977 1.662 ( -0.937 -0.877 4.280) 4.468 1.680 ( 1.228 -0.358 0.304) 1.315 1.695 ( 2.659 3.179 -2.804) 5.004 1.739 ( -0.800 3.684 -1.543) 4.074 1.804 ( 3.121 1.477 -0.211) 3.460 1.864 ( -4.203 2.798 -0.602) 5.085 1.983 ( -0.507 -4.506 1.626) 4.817 2.005 ( -0.980 -3.674 -1.635) 4.139 2.722 ( 2.279 -1.083 -1.789) 3.093 2.735 ( -1.431 -0.473 1.650) 2.235 2.909 ( 0.674 -5.499 5.033) 7.485 2.984 ( -1.927 -4.571 -4.034) 6.394 3.065 ( 1.724 -2.043 2.984) 4.006 3.152 ( -2.072 -2.720 -6.012) 6.916 3.373 ( 3.709 -2.554 0.266) 4.511 3.413 ( -1.478 -1.779 1.404) 2.706 3.568 ( 0.339 0.279 -0.917) 1.016 3.578 ( -0.470 -0.720 -0.319) 0.917 3.678 ( 2.185 0.138 2.275) 3.158 3.756 ( -4.194 -0.590 -2.202) 4.774 4.224 ( -0.164 0.232 0.006) 0.285 4.246 ( -1.419 -1.667 -2.144) 3.064 4.891 ( 0.747 -0.145 3.137) 3.228 4.922 ( -0.541 -0.030 -0.649) 0.846 4.936 ( -0.140 0.349 1.571) 1.616 4.944 ( 0.131 -0.225 -0.551) 0.609 5.775 ( 0.586 6.295 -0.510) 6.343 5.790 ( -1.154 5.964 -0.731) 6.119 6.392 ( 0.216 -0.782 3.011) 3.118 6.408 ( 0.001 -1.269 1.780) 2.186 6.436 ( 1.183 0.007 4.388) 4.545 6.527 ( -2.836 -2.360 -5.332) 6.484 6.638 ( 0.558 -5.071 2.076) 5.508 6.672 ( -0.314 -5.592 -3.707) 6.716 6.847 ( 4.301 -4.885 0.531) 6.530 6.925 ( -2.303 -7.376 -3.019) 8.297 6.971 ( 0.174 -8.009 1.627) 8.175 6.996 ( -1.095 -10.018 -0.937) 10.121 8.319 ( 0.736 0.529 1.343) 1.620 8.346 ( -0.520 0.073 -1.642) 1.724 8.567 ( 1.467 -1.907 0.661) 2.495 8.590 ( -0.773 -2.729 0.081) 2.837 9.669 ( 2.302 -0.654 -1.632) 2.897 9.703 ( -2.458 -1.510 -0.303) 2.901 10.061 ( 2.708 -8.294 -0.477) 8.738 10.093 ( -1.988 -7.506 0.936) 7.821 11.632 ( -0.743 2.633 1.883) 3.321 11.648 ( 0.231 2.027 -2.772) 3.442 11.783 ( 1.695 4.357 -0.139) 4.677 11.804 ( -1.554 3.848 1.056) 4.282 12.397 ( 0.810 4.988 -0.328) 5.064 12.440 ( -3.865 4.859 -1.258) 6.334 12.620 ( 3.485 2.765 -0.915) 4.542 12.653 ( -0.958 1.849 1.169) 2.388 12.680 ( 0.336 2.619 1.888) 3.246 12.739 ( -3.609 2.909 -2.647) 5.338 13.048 ( 4.315 4.563 1.088) 6.374 13.123 ( -4.169 3.525 0.055) 5.460 20.875 ( 1.221 0.738 6.122) 6.286 20.926 ( 2.637 1.531 -5.575) 6.355 21.046 ( 2.640 -3.556 2.472) 5.072 21.160 ( -5.880 -3.635 -3.769) 7.874 21.503 ( 2.075 3.119 1.705) 4.116 21.556 ( -1.501 3.748 -2.951) 5.001 21.752 ( 2.722 -0.081 1.962) 3.357 21.813 ( -2.696 1.230 -0.723) 3.050 21.971 ( 3.607 5.362 2.306) 6.861 22.089 ( -5.212 2.260 -4.010) 6.953 22.297 ( 2.680 -7.393 7.456) 10.837 22.444 ( -5.216 -5.218 -6.671) 9.947 22.814 ( 1.361 -0.960 0.614) 1.775 22.822 ( 0.042 -0.662 0.602) 0.895 22.842 ( 1.588 -0.908 -0.557) 1.912 22.884 ( -3.634 -1.285 0.475) 3.883 ======================= Grid point 178 (79/90) ======================= q-point: ( 0.00 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.551 ( -0.421 9.375 -5.767) 11.015 0.551 ( 0.421 9.375 5.767) 11.015 0.689 ( 0.220 5.767 -1.260) 5.907 0.689 ( -0.220 5.767 1.260) 5.907 0.798 ( -0.744 0.343 -0.966) 1.267 0.798 ( 0.744 0.343 0.966) 1.267 0.892 ( -0.042 1.560 -4.089) 4.376 0.892 ( 0.042 1.560 4.089) 4.376 1.053 ( 1.005 0.960 -1.362) 1.946 1.053 ( -1.005 0.960 1.362) 1.946 1.187 ( -1.014 2.554 -0.912) 2.896 1.187 ( 1.014 2.554 0.912) 2.896 1.212 ( -1.336 -1.086 -1.285) 2.148 1.212 ( 1.336 -1.086 1.285) 2.148 1.299 ( -1.520 -0.512 -2.742) 3.177 1.299 ( 1.520 -0.512 2.742) 3.177 1.342 ( 1.083 2.770 -3.040) 4.252 1.342 ( -1.083 2.770 3.040) 4.252 1.502 ( -1.779 0.148 -2.556) 3.118 1.502 ( 1.779 0.148 2.556) 3.118 1.554 ( -1.280 0.200 -1.585) 2.047 1.554 ( 1.280 0.200 1.585) 2.047 1.627 ( 1.225 -0.328 -1.448) 1.925 1.627 ( -1.225 -0.328 1.448) 1.925 1.680 ( 1.122 -1.819 -1.152) 2.428 1.680 ( -1.122 -1.819 1.152) 2.428 1.949 ( -0.162 3.341 -2.036) 3.916 1.949 ( 0.162 3.341 2.036) 3.916 2.061 ( 0.589 1.781 -3.189) 3.699 2.061 ( -0.589 1.781 3.189) 3.699 2.736 ( 0.434 1.348 -2.943) 3.266 2.736 ( -0.434 1.348 2.943) 3.266 2.902 ( -2.751 -3.289 -0.608) 4.331 2.902 ( 2.751 -3.289 0.608) 4.331 3.121 ( -4.200 0.557 -0.003) 4.237 3.121 ( 4.200 0.557 0.003) 4.237 3.329 ( -0.019 0.052 -0.580) 0.582 3.329 ( 0.019 0.052 0.580) 0.582 3.478 ( -0.070 -4.643 -3.892) 6.059 3.478 ( 0.070 -4.643 3.892) 6.059 3.784 ( 0.762 -3.795 -5.651) 6.850 3.784 ( -0.762 -3.795 5.651) 6.850 4.344 ( -0.621 0.331 -0.264) 0.751 4.344 ( 0.620 0.331 0.264) 0.751 4.761 ( -0.393 -2.437 -1.778) 3.042 4.761 ( 0.393 -2.437 1.778) 3.042 4.945 ( 1.299 1.383 -1.203) 2.247 4.945 ( -1.299 1.383 1.203) 2.247 5.940 ( 0.154 5.011 -1.742) 5.307 5.940 ( -0.154 5.011 1.742) 5.307 6.360 ( 0.649 -1.264 -1.834) 2.320 6.360 ( -0.649 -1.264 1.834) 2.320 6.451 ( -0.624 1.352 -2.719) 3.100 6.451 ( 0.624 1.352 2.719) 3.100 6.631 ( -1.194 -5.696 -1.815) 6.096 6.631 ( 1.194 -5.696 1.815) 6.096 6.661 ( -1.156 -8.045 -0.904) 8.178 6.661 ( 1.156 -8.045 0.904) 8.178 6.850 ( 1.268 -9.360 -2.013) 9.657 6.850 ( -1.268 -9.360 2.013) 9.657 8.345 ( -1.085 0.806 -0.065) 1.353 8.345 ( 1.085 0.806 0.065) 1.353 8.498 ( -0.675 -1.373 -0.766) 1.711 8.498 ( 0.675 -1.373 0.766) 1.711 9.743 ( 0.345 -2.767 -3.680) 4.617 9.743 ( -0.345 -2.767 3.680) 4.617 9.867 ( -1.238 -5.850 -4.244) 7.332 9.867 ( 1.238 -5.850 4.244) 7.332 11.751 ( -0.440 3.289 -2.267) 4.019 11.751 ( 0.440 3.289 2.267) 4.019 11.801 ( 0.389 1.625 -4.789) 5.072 11.801 ( -0.389 1.625 4.789) 5.072 12.595 ( -0.310 2.645 -1.625) 3.120 12.595 ( 0.310 2.645 1.625) 3.120 12.635 ( -0.265 1.548 -0.415) 1.624 12.635 ( 0.265 1.548 0.415) 1.624 12.850 ( -1.939 2.870 -3.118) 4.660 12.850 ( 1.939 2.870 3.118) 4.660 13.103 ( -0.554 0.643 -6.025) 6.085 13.103 ( 0.554 0.643 6.025) 6.085 20.789 ( -1.166 1.351 -4.350) 4.702 20.789 ( 1.166 1.351 4.350) 4.702 21.178 ( -4.571 -4.121 -6.856) 9.213 21.178 ( 4.571 -4.121 6.856) 9.213 21.524 ( -4.885 -1.746 -1.023) 5.288 21.524 ( 4.885 -1.746 1.023) 5.288 21.924 ( -2.725 2.416 -3.580) 5.107 21.924 ( 2.725 2.416 3.580) 5.107 22.053 ( -2.822 1.544 -1.852) 3.712 22.053 ( 2.822 1.544 1.852) 3.712 22.305 ( -2.780 -6.991 -11.003) 13.329 22.305 ( 2.780 -6.991 11.003) 13.329 22.772 ( -0.220 0.189 -1.399) 1.429 22.772 ( 0.220 0.189 1.399) 1.429 22.865 ( -0.371 -0.757 -2.931) 3.050 22.865 ( 0.371 -0.757 2.931) 3.050 ======================= Grid point 180 (80/90) ======================= q-point: ( 0.14 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.502 ( 0.530 8.369 -3.332) 9.024 0.628 ( -2.352 3.368 -1.231) 4.288 0.635 ( 2.532 6.764 2.819) 7.753 0.720 ( 1.945 9.420 0.581) 9.636 0.759 ( -3.617 0.107 -0.632) 3.673 0.829 ( 0.401 -0.311 -0.968) 1.093 0.877 ( 1.860 1.180 1.134) 2.477 0.924 ( -0.796 0.668 3.392) 3.548 1.018 ( -2.700 1.006 1.567) 3.280 1.097 ( 2.020 1.603 -0.515) 2.630 1.153 ( -1.897 0.624 1.379) 2.427 1.172 ( -1.986 1.922 0.200) 2.771 1.228 ( 1.837 1.124 0.468) 2.204 1.250 ( -0.591 -1.148 -2.411) 2.735 1.269 ( 3.327 0.504 0.923) 3.489 1.306 ( -0.377 2.948 -2.448) 3.850 1.345 ( 0.137 0.701 -0.758) 1.041 1.364 ( 0.588 0.048 3.875) 3.919 1.433 ( -2.473 0.940 -3.054) 4.040 1.509 ( -1.096 -1.153 -0.281) 1.615 1.557 ( 1.148 -0.004 1.177) 1.644 1.594 ( 2.192 0.628 -1.041) 2.507 1.627 ( 0.201 -0.463 0.694) 0.858 1.641 ( -0.551 -0.336 1.540) 1.669 1.688 ( 1.239 -0.362 0.685) 1.461 1.702 ( 2.223 -2.135 0.309) 3.097 1.921 ( 0.117 7.222 -3.042) 7.837 1.961 ( -0.779 0.853 0.789) 1.399 2.025 ( -0.585 0.409 -3.365) 3.440 2.062 ( -2.216 1.709 1.289) 3.081 2.715 ( 0.664 1.590 -2.547) 3.076 2.758 ( -0.343 1.210 2.143) 2.485 2.851 ( -2.648 -1.068 -0.092) 2.857 2.941 ( 1.657 -6.552 -0.973) 6.828 3.066 ( -2.395 2.451 0.585) 3.477 3.177 ( 2.808 -0.539 -1.358) 3.166 3.313 ( -0.961 -2.051 -1.333) 2.629 3.343 ( 1.752 0.367 -0.727) 1.932 3.457 ( 1.217 -3.381 0.059) 3.594 3.524 ( 0.206 -3.599 3.309) 4.893 3.715 ( -1.860 -2.190 -4.613) 5.435 3.811 ( -1.753 -4.807 2.519) 5.703 4.314 ( -1.585 -0.662 -1.523) 2.296 4.335 ( -0.575 1.662 -2.070) 2.716 4.769 ( 0.309 -1.767 3.479) 3.914 4.810 ( 0.358 -2.639 5.766) 6.351 4.938 ( -1.054 1.259 1.302) 2.096 4.953 ( 1.282 1.403 -1.366) 2.340 5.913 ( -0.210 5.142 -2.972) 5.942 5.939 ( -0.298 4.067 -1.374) 4.304 6.345 ( -0.011 -3.179 -1.695) 3.602 6.359 ( -1.248 -0.156 1.295) 1.805 6.423 ( -1.056 0.764 0.138) 1.311 6.495 ( 0.633 0.525 3.290) 3.391 6.588 ( -2.268 -4.948 -0.834) 5.506 6.622 ( -1.139 -5.222 -0.561) 5.374 6.690 ( 2.968 -7.718 0.337) 8.276 6.699 ( 2.723 -8.362 -0.329) 8.800 6.844 ( -0.060 -8.734 -1.049) 8.797 6.848 ( -0.276 -8.235 0.128) 8.240 8.330 ( -0.870 1.425 0.377) 1.711 8.362 ( 0.846 0.290 0.056) 0.896 8.486 ( 0.044 -1.560 -0.232) 1.578 8.520 ( 1.157 -1.595 0.375) 2.006 9.703 ( 0.074 -1.244 -4.375) 4.549 9.744 ( -2.261 -2.991 0.199) 3.755 9.835 ( 1.368 -6.051 -0.994) 6.282 9.930 ( 0.880 -6.416 3.811) 7.515 11.716 ( -1.210 2.961 -1.142) 3.396 11.752 ( -0.330 1.523 -4.167) 4.449 11.792 ( 1.421 3.338 1.703) 4.008 11.841 ( -0.270 1.989 3.611) 4.131 12.558 ( -1.547 3.936 -1.834) 4.609 12.603 ( -0.547 2.719 1.198) 3.021 12.636 ( 0.051 0.742 1.113) 1.339 12.665 ( 1.204 1.173 0.514) 1.758 12.761 ( -4.023 3.740 -1.763) 5.768 12.911 ( 0.679 0.600 0.146) 0.917 13.034 ( 0.704 4.073 -3.816) 5.625 13.170 ( 0.388 -0.262 4.134) 4.161 20.752 ( 1.383 2.030 -1.969) 3.149 20.866 ( 2.237 0.679 3.879) 4.529 21.047 ( -3.779 -4.106 -4.476) 7.154 21.303 ( 2.139 -4.858 2.360) 5.809 21.429 ( -4.581 -0.497 1.225) 4.768 21.591 ( 2.772 -1.360 0.066) 3.088 21.844 ( -1.584 3.590 -4.959) 6.324 21.979 ( -1.518 -4.345 -2.452) 5.215 22.005 ( 2.504 0.716 0.400) 2.635 22.070 ( -0.952 5.937 -5.308) 8.021 22.175 ( -2.018 -6.997 -1.021) 7.353 22.438 ( 0.052 -3.998 9.483) 10.291 22.760 ( 0.152 0.298 -0.546) 0.640 22.794 ( 0.500 0.314 1.206) 1.343 22.833 ( -0.449 -0.479 -1.634) 1.761 22.896 ( -0.990 -1.740 3.493) 4.027 ======================= Grid point 181 (81/90) ======================= q-point: ( 0.29 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.483 ( 0.496 6.256 -2.890) 6.909 0.595 ( -0.601 1.982 -0.304) 2.093 0.641 ( -2.140 1.406 -3.812) 4.592 0.736 ( 1.761 2.744 3.027) 4.449 0.783 ( 2.073 7.891 4.264) 9.206 0.811 ( -0.637 0.344 -1.641) 1.794 0.912 ( 0.186 0.495 0.449) 0.693 0.937 ( -0.991 0.565 2.090) 2.381 0.992 ( -2.010 1.703 0.610) 2.705 1.101 ( -0.856 2.017 -0.925) 2.378 1.144 ( -1.679 0.917 2.094) 2.836 1.146 ( -0.784 1.115 -0.259) 1.387 1.223 ( 0.376 -0.317 -0.899) 1.024 1.254 ( -1.182 -0.077 -0.807) 1.433 1.311 ( 3.075 1.829 0.672) 3.641 1.321 ( 0.316 0.867 -1.673) 1.911 1.332 ( 2.351 0.523 0.208) 2.418 1.373 ( -0.888 -0.920 -0.519) 1.380 1.425 ( 0.721 1.488 3.913) 4.248 1.510 ( 0.186 -0.870 1.731) 1.946 1.559 ( -0.505 -0.383 -1.616) 1.736 1.609 ( 1.182 -0.131 -1.731) 2.100 1.637 ( 0.649 -0.947 0.250) 1.175 1.646 ( -0.537 0.939 1.309) 1.698 1.723 ( 2.214 0.283 0.280) 2.250 1.753 ( 2.585 -1.399 1.199) 3.174 1.900 ( 1.813 8.760 -3.758) 9.702 1.935 ( -2.212 -0.665 -0.677) 2.407 1.980 ( -1.115 -0.968 -2.731) 3.105 2.027 ( -3.325 3.173 1.210) 4.753 2.709 ( 1.331 1.406 -1.718) 2.589 2.763 ( -1.014 1.195 0.992) 1.855 2.823 ( -1.543 -0.860 1.495) 2.314 2.931 ( -0.234 -6.975 -2.750) 7.501 3.060 ( 0.004 3.478 1.156) 3.665 3.176 ( 0.153 -0.743 -3.212) 3.300 3.288 ( 0.175 -2.618 -0.542) 2.679 3.366 ( 0.792 -1.862 0.528) 2.091 3.508 ( 3.491 -2.701 0.253) 4.421 3.554 ( -0.002 -1.203 3.193) 3.412 3.645 ( -1.725 -2.027 -2.719) 3.805 3.780 ( -3.523 -4.524 0.192) 5.737 4.270 ( -1.529 -0.139 -1.609) 2.224 4.293 ( -1.390 2.452 -2.400) 3.702 4.826 ( 0.948 -0.872 4.858) 5.026 4.874 ( -0.224 -2.129 5.968) 6.340 4.940 ( -0.565 0.969 1.593) 1.948 4.956 ( 0.940 1.286 -1.652) 2.295 5.880 ( -0.095 4.354 -2.631) 5.088 5.907 ( -0.430 2.978 -3.235) 4.418 6.329 ( -0.453 -4.399 -0.405) 4.441 6.357 ( -0.747 -2.167 1.245) 2.608 6.418 ( -0.513 0.672 1.501) 1.723 6.533 ( 0.082 -1.868 2.161) 2.858 6.540 ( -1.775 -4.670 -1.278) 5.157 6.606 ( -0.547 -2.154 -0.155) 2.227 6.727 ( 4.006 -5.150 -3.580) 7.442 6.746 ( 0.981 -11.021 2.848) 11.425 6.827 ( -0.389 -6.672 -1.330) 6.815 6.844 ( -0.376 -6.234 0.049) 6.245 8.328 ( -0.258 1.648 1.025) 1.958 8.369 ( 0.333 0.577 -0.639) 0.923 8.496 ( 0.698 -2.298 0.814) 2.536 8.537 ( 0.781 -2.032 -0.272) 2.194 9.665 ( 0.609 -0.472 -3.521) 3.604 9.706 ( -1.775 -1.652 -0.592) 2.496 9.866 ( 2.172 -6.885 0.469) 7.235 9.962 ( -0.738 -6.819 2.023) 7.151 11.690 ( -0.782 2.473 -0.712) 2.690 11.709 ( -0.356 1.475 -2.914) 3.285 11.830 ( 1.361 3.380 1.211) 3.839 11.865 ( -0.683 2.434 2.458) 3.526 12.518 ( -1.046 5.115 -1.466) 5.423 12.603 ( -2.673 3.366 1.474) 4.544 12.638 ( 0.106 1.416 -0.968) 1.719 12.668 ( -0.328 1.238 1.214) 1.765 12.717 ( 0.050 2.626 -0.542) 2.682 12.862 ( -3.170 0.655 -2.779) 4.266 13.069 ( 4.656 4.989 -0.809) 6.872 13.196 ( -1.642 0.664 2.976) 3.463 20.798 ( 4.721 1.554 0.787) 5.032 20.917 ( 0.062 0.170 2.205) 2.212 20.984 ( -0.629 -3.641 -0.833) 3.788 21.222 ( -5.765 -4.458 -5.156) 8.927 21.477 ( 1.741 1.001 6.179) 6.497 21.617 ( 1.179 -0.417 -1.051) 1.633 21.776 ( -0.669 2.414 -4.326) 4.999 21.920 ( -3.260 2.450 -4.975) 6.432 21.949 ( -0.944 -6.020 -3.444) 6.999 22.039 ( -0.909 -10.520 -0.898) 10.597 22.217 ( 4.021 8.275 3.118) 9.714 22.487 ( -3.424 -0.450 5.131) 6.185 22.769 ( 1.092 0.158 0.458) 1.195 22.806 ( 0.340 0.055 0.020) 0.345 22.825 ( 0.326 -0.395 0.003) 0.512 22.896 ( -2.854 -1.959 2.430) 4.230 ======================= Grid point 182 (82/90) ======================= q-point: ( 0.43 0.30 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 140 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.473 ( 1.328 3.864 -0.641) 4.136 0.524 ( -3.614 2.143 -2.495) 4.887 0.659 ( 3.937 -0.063 0.855) 4.029 0.736 ( -3.911 -1.913 -0.553) 4.388 0.837 ( 2.475 4.789 2.405) 5.903 0.858 ( 2.360 4.597 1.913) 5.510 0.904 ( 0.739 1.847 -0.412) 2.032 0.940 ( -0.778 0.713 0.943) 1.415 0.965 ( -1.320 3.325 0.324) 3.592 1.017 ( -4.381 4.570 -3.864) 7.416 1.151 ( 1.331 -0.676 0.434) 1.555 1.176 ( -0.393 0.002 2.417) 2.449 1.206 ( 0.145 -1.881 -1.449) 2.379 1.228 ( -0.961 -1.504 -0.376) 1.824 1.310 ( 0.505 1.216 -0.254) 1.341 1.326 ( -0.520 0.249 -1.139) 1.277 1.383 ( 0.907 0.785 2.911) 3.149 1.393 ( 2.071 0.486 -0.786) 2.268 1.476 ( 0.807 1.411 3.460) 3.823 1.521 ( -0.857 0.724 -2.536) 2.773 1.547 ( 1.146 -1.038 2.295) 2.767 1.590 ( -1.044 -0.932 -1.854) 2.323 1.649 ( 0.276 0.003 -0.089) 0.290 1.651 ( 0.297 -1.170 0.164) 1.219 1.760 ( 1.669 1.604 0.856) 2.468 1.786 ( 0.252 0.395 -0.603) 0.763 1.891 ( 1.049 -0.046 -1.305) 1.675 1.916 ( -0.807 1.171 -0.102) 1.426 1.942 ( 1.771 3.493 -2.857) 4.848 1.981 ( -4.182 5.106 1.650) 6.803 2.722 ( 1.883 0.990 -0.880) 2.302 2.747 ( -1.789 1.068 0.452) 2.132 2.837 ( 0.219 -2.154 3.220) 3.880 2.886 ( -1.025 -4.711 -3.676) 6.063 3.083 ( 1.063 2.664 1.823) 3.398 3.130 ( -1.420 0.721 -3.026) 3.419 3.316 ( 2.620 -3.430 0.855) 4.400 3.363 ( -1.924 -3.078 0.081) 3.631 3.543 ( 1.972 -2.043 -0.407) 2.868 3.574 ( -0.635 -0.101 -1.202) 1.363 3.641 ( 1.493 -3.590 3.518) 5.243 3.713 ( -3.402 -3.713 -1.951) 5.400 4.243 ( -0.303 1.385 -0.535) 1.516 4.253 ( -1.058 2.428 -1.155) 2.890 4.886 ( 1.221 -0.333 2.907) 3.170 4.911 ( -0.922 -1.039 2.306) 2.692 4.946 ( 0.026 0.582 0.201) 0.616 4.951 ( 0.141 1.043 -0.766) 1.302 5.862 ( 0.219 3.127 -0.856) 3.250 5.872 ( -0.390 2.549 -1.817) 3.155 6.329 ( 0.122 -4.876 1.043) 4.987 6.348 ( -0.613 -4.343 -0.910) 4.480 6.442 ( 0.709 -1.138 2.695) 3.010 6.488 ( -1.849 -3.497 -2.005) 4.435 6.565 ( 0.969 -1.903 1.414) 2.561 6.592 ( -0.785 -0.970 -0.857) 1.515 6.752 ( 3.432 -6.150 -3.113) 7.700 6.770 ( -2.055 -9.544 2.853) 10.170 6.818 ( 0.988 -4.784 -0.557) 4.916 6.835 ( -0.830 -5.217 -0.131) 5.284 8.341 ( 0.197 1.530 1.504) 2.154 8.360 ( -0.146 1.173 -1.391) 1.825 8.519 ( 0.703 -2.732 1.248) 3.084 8.537 ( -0.050 -2.523 -0.890) 2.676 9.657 ( 1.612 -0.430 -1.695) 2.378 9.676 ( -1.767 -0.850 0.236) 1.975 9.909 ( 2.342 -7.153 0.705) 7.560 9.949 ( -1.992 -7.063 0.081) 7.339 11.678 ( -0.255 1.975 0.019) 1.991 11.684 ( -0.147 1.634 -1.307) 2.098 11.858 ( 1.146 3.207 0.221) 3.413 11.870 ( -0.926 2.858 1.108) 3.202 12.505 ( 0.948 5.647 -0.474) 5.745 12.543 ( -3.584 5.131 -0.358) 6.269 12.657 ( 2.014 1.143 -0.456) 2.360 12.677 ( -0.780 0.564 0.599) 1.134 12.730 ( 0.585 2.379 2.640) 3.602 12.785 ( -2.105 1.891 -3.485) 4.489 13.135 ( 4.124 3.902 -0.670) 5.717 13.181 ( -3.049 2.392 1.636) 4.206 20.892 ( 3.625 0.714 2.375) 4.392 20.941 ( 0.635 -0.320 -0.368) 0.801 20.980 ( 1.006 -3.080 1.783) 3.698 21.080 ( -5.391 -4.278 -4.324) 8.128 21.559 ( 0.889 2.379 5.256) 5.837 21.608 ( 0.480 1.517 -3.538) 3.880 21.751 ( 1.281 0.021 -0.567) 1.401 21.809 ( -3.470 -0.584 -3.731) 5.128 21.948 ( 0.505 -6.045 1.769) 6.319 21.992 ( -1.682 -8.337 -2.838) 8.966 22.332 ( 6.352 7.136 1.814) 9.725 22.439 ( -5.920 3.495 0.965) 6.942 22.800 ( 1.227 -0.384 1.194) 1.754 22.812 ( 0.451 -0.319 -0.283) 0.621 22.832 ( 1.005 -0.292 -0.529) 1.173 22.861 ( -3.135 -1.180 0.865) 3.459 ======================= Grid point 186 (83/90) ======================= q-point: ( 0.00 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 76 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.689 ( -0.963 4.651 -2.848) 5.538 0.689 ( 0.963 4.651 2.848) 5.538 0.750 ( -1.613 0.422 -3.263) 3.665 0.750 ( 1.613 0.422 3.263) 3.665 0.811 ( -2.371 1.158 0.103) 2.641 0.811 ( 2.371 1.158 -0.103) 2.641 0.956 ( 0.588 3.932 -3.256) 5.138 0.956 ( -0.588 3.932 3.256) 5.138 1.079 ( -0.491 2.047 -1.723) 2.720 1.079 ( 0.491 2.047 1.723) 2.720 1.177 ( 0.607 -1.235 -1.618) 2.124 1.177 ( -0.607 -1.235 1.618) 2.124 1.234 ( 0.106 -0.425 -1.991) 2.039 1.234 ( -0.106 -0.425 1.991) 2.039 1.262 ( -0.723 -0.878 -0.633) 1.302 1.262 ( 0.723 -0.878 0.633) 1.302 1.386 ( -0.043 1.117 -1.304) 1.718 1.386 ( 0.043 1.117 1.304) 1.718 1.513 ( -0.555 0.908 -1.043) 1.490 1.513 ( 0.555 0.908 1.043) 1.490 1.551 ( -0.785 -0.893 -1.240) 1.718 1.551 ( 0.785 -0.893 1.240) 1.718 1.620 ( 1.328 -0.517 -1.676) 2.200 1.620 ( -1.328 -0.517 1.676) 2.200 1.667 ( 1.088 1.028 -2.882) 3.247 1.667 ( -1.088 1.028 2.882) 3.247 1.964 ( -0.385 -0.409 -0.489) 0.744 1.964 ( 0.385 -0.409 0.489) 0.744 2.098 ( 0.110 0.835 -0.714) 1.103 2.098 ( -0.110 0.835 0.714) 1.103 2.759 ( 0.307 0.895 -2.414) 2.593 2.759 ( -0.307 0.895 2.414) 2.593 2.829 ( 0.429 -3.742 -1.577) 4.084 2.829 ( -0.429 -3.742 1.577) 4.084 3.158 ( -2.791 2.802 -1.411) 4.199 3.158 ( 2.791 2.802 1.411) 4.199 3.325 ( -1.479 -0.853 -2.436) 2.974 3.325 ( 1.479 -0.853 2.436) 2.974 3.416 ( -0.125 -1.389 -2.016) 2.451 3.416 ( 0.125 -1.389 2.016) 2.451 3.717 ( 1.174 -2.898 -3.096) 4.400 3.717 ( -1.174 -2.898 3.096) 4.400 4.376 ( -0.691 2.566 -1.670) 3.139 4.376 ( 0.691 2.566 1.670) 3.139 4.714 ( -0.059 -2.132 -1.413) 2.558 4.714 ( 0.059 -2.132 1.413) 2.558 4.983 ( 1.106 2.158 -0.978) 2.615 4.983 ( -1.106 2.158 0.978) 2.615 5.997 ( 0.293 0.922 -1.228) 1.563 5.997 ( -0.293 0.922 1.228) 1.563 6.267 ( 0.417 -6.273 -2.897) 6.922 6.267 ( -0.417 -6.273 2.897) 6.922 6.451 ( -1.118 -2.973 -1.117) 3.367 6.451 ( 1.118 -2.973 1.117) 3.367 6.547 ( -0.161 0.108 -0.890) 0.911 6.547 ( 0.161 0.108 0.890) 0.911 6.599 ( 1.624 -1.126 -1.328) 2.381 6.599 ( -1.624 -1.126 1.328) 2.381 6.712 ( 1.162 -4.133 -2.656) 5.048 6.712 ( -1.162 -4.133 2.656) 5.048 8.350 ( 0.100 -0.171 -0.397) 0.444 8.350 ( -0.100 -0.171 0.397) 0.444 8.487 ( -0.355 0.102 -0.722) 0.811 8.487 ( 0.355 0.102 0.722) 0.811 9.705 ( 0.204 -1.166 -1.453) 1.874 9.705 ( -0.204 -1.166 1.453) 1.874 9.775 ( -1.041 -3.444 -2.958) 4.658 9.775 ( 1.041 -3.444 2.958) 4.658 11.803 ( 0.143 2.020 -3.949) 4.438 11.803 ( -0.143 2.020 3.949) 4.438 11.827 ( 0.433 0.866 -5.136) 5.226 11.827 ( -0.433 0.866 5.136) 5.226 12.628 ( -0.254 0.944 -0.460) 1.080 12.628 ( 0.254 0.944 0.460) 1.080 12.655 ( -0.062 0.462 -0.815) 0.939 12.655 ( 0.062 0.462 0.815) 0.939 12.902 ( -0.380 2.274 -2.698) 3.549 12.902 ( 0.380 2.274 2.698) 3.549 13.109 ( 0.631 0.004 -4.214) 4.261 13.109 ( -0.631 0.004 4.214) 4.261 20.813 ( -0.661 1.072 -3.077) 3.325 20.813 ( 0.661 1.072 3.077) 3.325 21.112 ( -3.612 -2.434 -5.586) 7.083 21.112 ( 3.612 -2.434 5.586) 7.083 21.482 ( -2.954 -2.413 -2.122) 4.365 21.482 ( 2.954 -2.413 2.122) 4.365 21.826 ( 1.630 -6.746 -1.541) 7.109 21.826 ( -1.630 -6.746 1.541) 7.109 22.141 ( -1.419 5.972 -8.934) 10.840 22.141 ( 1.419 5.972 8.934) 10.840 22.274 ( -1.861 -0.253 -12.150) 12.295 22.274 ( 1.861 -0.253 12.150) 12.295 22.778 ( -0.055 0.362 -1.285) 1.336 22.778 ( 0.055 0.362 1.285) 1.336 22.851 ( 0.022 -0.624 -1.895) 1.996 22.851 ( -0.022 -0.624 1.895) 1.996 ======================= Grid point 188 (84/90) ======================= q-point: ( 0.14 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( -1.434 4.569 -0.916) 4.875 0.688 ( -0.935 2.542 -4.347) 5.122 0.739 ( 1.496 3.690 -0.118) 3.984 0.760 ( -1.720 1.152 0.234) 2.083 0.823 ( 1.832 0.134 1.908) 2.649 0.848 ( 2.041 1.113 -0.227) 2.335 0.924 ( 0.114 4.382 -2.700) 5.148 0.962 ( -0.698 2.571 0.708) 2.757 1.033 ( -3.615 1.455 1.933) 4.349 1.124 ( 0.599 0.705 0.463) 1.035 1.142 ( -1.524 -1.052 -0.226) 1.866 1.167 ( -1.023 -1.864 -0.880) 2.301 1.213 ( -0.551 -1.520 -1.136) 1.976 1.246 ( -1.355 -1.281 2.786) 3.352 1.300 ( 3.547 1.749 1.302) 4.164 1.315 ( 2.605 -0.652 2.312) 3.544 1.361 ( -0.755 1.996 -0.928) 2.327 1.394 ( -0.279 1.822 -0.085) 1.845 1.475 ( -1.691 3.307 -1.227) 3.911 1.505 ( -0.344 0.495 -1.607) 1.716 1.551 ( 0.476 -0.763 0.583) 1.071 1.575 ( 0.861 -2.049 0.279) 2.240 1.610 ( -0.348 -0.862 0.140) 0.940 1.636 ( 1.671 -0.911 -0.999) 2.150 1.677 ( 2.628 0.347 -1.153) 2.891 1.692 ( 0.764 0.482 2.024) 2.216 1.945 ( -1.449 -1.178 -0.329) 1.896 1.959 ( -1.082 -0.832 -0.621) 1.499 2.084 ( -0.931 1.736 0.618) 2.065 2.097 ( -0.495 2.227 -0.660) 2.375 2.742 ( 0.622 0.964 -2.292) 2.563 2.777 ( -0.388 0.759 1.960) 2.138 2.813 ( -0.163 -3.603 -1.225) 3.809 2.838 ( 0.159 -3.151 0.094) 3.156 3.105 ( -2.123 2.562 -0.301) 3.341 3.206 ( 1.380 1.346 0.779) 2.079 3.273 ( -1.068 -0.323 -2.923) 3.129 3.348 ( -0.476 -0.137 0.413) 0.645 3.422 ( 1.800 -0.599 0.856) 2.081 3.457 ( 0.779 -2.960 3.658) 4.769 3.678 ( -1.269 -1.528 -3.110) 3.690 3.722 ( -0.315 -3.870 -0.777) 3.959 4.334 ( -1.336 2.615 -2.431) 3.812 4.377 ( -0.675 1.953 -1.323) 2.453 4.739 ( 0.885 -1.131 4.586) 4.806 4.761 ( 0.518 -2.120 6.039) 6.421 4.975 ( -1.132 2.258 1.055) 2.738 4.989 ( 0.807 1.851 -1.064) 2.282 5.971 ( -0.194 0.743 -3.540) 3.623 5.983 ( -0.516 0.625 -2.635) 2.757 6.246 ( 0.696 -4.935 -2.846) 5.739 6.285 ( -0.862 -6.391 2.243) 6.828 6.419 ( -0.861 -2.238 -1.084) 2.631 6.458 ( 0.380 -4.156 -2.181) 4.708 6.532 ( -1.414 -0.041 0.060) 1.416 6.560 ( 1.209 -0.853 -0.256) 1.502 6.601 ( -0.202 -1.298 2.990) 3.266 6.614 ( 0.998 -1.770 -0.840) 2.199 6.722 ( 1.858 -3.355 -0.554) 3.875 6.737 ( -0.371 -3.036 3.928) 4.979 8.349 ( -0.299 0.469 0.709) 0.901 8.359 ( 0.214 -0.422 1.066) 1.167 8.475 ( 0.102 0.309 -1.215) 1.258 8.499 ( 0.685 -0.694 -0.161) 0.988 9.682 ( -1.090 -0.752 -1.160) 1.760 9.713 ( 0.116 -0.539 -0.182) 0.581 9.743 ( 0.275 -2.983 -1.358) 3.289 9.821 ( 0.825 -4.717 2.422) 5.366 11.761 ( -0.538 1.670 -3.075) 3.540 11.776 ( -0.563 0.851 -3.839) 3.972 11.847 ( 0.768 2.210 2.810) 3.657 11.871 ( -0.163 0.946 3.995) 4.109 12.614 ( -0.766 1.867 -0.370) 2.051 12.638 ( -0.110 0.706 1.100) 1.312 12.647 ( -0.104 0.776 0.641) 1.012 12.674 ( 0.578 -0.160 0.518) 0.792 12.834 ( -3.200 3.651 -1.876) 5.204 12.917 ( -0.749 -0.232 -1.624) 1.804 13.098 ( 2.464 2.510 -1.220) 3.723 13.160 ( 1.424 -0.855 2.663) 3.139 20.792 ( 1.152 1.976 -1.393) 2.678 20.865 ( 1.042 -1.022 3.790) 4.061 21.000 ( -3.026 0.283 -4.665) 5.568 21.189 ( 0.912 -6.555 -0.636) 6.649 21.434 ( -2.292 1.160 4.241) 4.958 21.552 ( 2.479 -2.903 2.018) 4.318 21.802 ( -2.813 -5.259 1.127) 6.070 21.818 ( -0.620 -7.305 -1.305) 7.446 22.032 ( -0.296 3.786 -9.366) 10.107 22.117 ( -1.813 0.962 -12.154) 12.326 22.261 ( 3.050 6.953 6.822) 10.207 22.413 ( 1.150 -0.869 9.591) 9.699 22.771 ( 0.220 0.827 -0.207) 0.881 22.798 ( 0.281 -0.015 1.822) 1.844 22.828 ( -0.443 0.062 -1.648) 1.707 22.863 ( -0.931 -1.591 1.761) 2.550 ======================= Grid point 189 (85/90) ======================= q-point: ( 0.29 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.063 5.343 -1.380) 5.519 0.637 ( 0.253 3.095 -3.128) 4.408 0.708 ( -2.379 4.650 -2.038) 5.607 0.747 ( -1.355 1.095 -0.377) 1.782 0.864 ( 1.540 0.379 1.099) 1.930 0.877 ( 2.517 2.599 -0.326) 3.632 0.923 ( 0.563 2.137 0.510) 2.268 0.969 ( 0.287 1.549 0.992) 1.862 0.996 ( -2.457 0.003 0.990) 2.649 1.101 ( -1.659 -1.488 0.752) 2.352 1.135 ( -0.626 -0.733 -0.760) 1.228 1.157 ( 0.230 -1.414 0.141) 1.440 1.193 ( -1.581 -2.123 -0.213) 2.655 1.214 ( -3.810 -3.101 -0.915) 4.997 1.352 ( 1.368 1.972 0.897) 2.562 1.357 ( 2.247 2.386 -1.578) 3.638 1.372 ( 1.115 2.877 -0.502) 3.126 1.395 ( 0.592 2.656 1.769) 3.246 1.470 ( -0.013 3.436 3.278) 4.749 1.497 ( 0.855 -0.058 -0.341) 0.922 1.548 ( -0.653 -0.834 -0.812) 1.335 1.581 ( -0.766 -2.164 0.429) 2.335 1.616 ( 1.191 -0.837 -0.313) 1.489 1.653 ( 1.755 -0.970 -1.051) 2.264 1.719 ( 3.020 -0.303 0.085) 3.036 1.731 ( 2.147 -0.506 0.863) 2.369 1.903 ( -2.320 -1.342 -1.300) 2.979 1.927 ( -1.712 -1.407 -0.881) 2.385 2.074 ( -0.118 4.546 -1.557) 4.806 2.083 ( -1.724 2.161 2.187) 3.525 2.735 ( 1.102 1.000 -1.718) 2.273 2.782 ( -1.049 0.793 0.974) 1.636 2.802 ( 0.184 -2.750 -0.721) 2.849 2.834 ( -0.230 -2.123 -0.584) 2.214 3.093 ( -0.110 1.283 1.439) 1.931 3.220 ( 0.278 -1.519 0.578) 1.649 3.231 ( -0.971 2.532 -2.858) 3.940 3.336 ( -1.294 -1.187 0.305) 1.782 3.465 ( 2.174 -1.592 0.413) 2.726 3.510 ( 0.173 -3.339 5.162) 6.150 3.620 ( -0.987 -0.176 -4.082) 4.204 3.693 ( -0.984 -3.784 -2.587) 4.688 4.296 ( -0.913 2.608 -1.051) 2.956 4.341 ( -1.144 1.794 -2.230) 3.083 4.814 ( 1.166 -0.231 5.988) 6.105 4.837 ( 0.167 -1.488 6.932) 7.092 4.970 ( -0.753 1.884 0.801) 2.182 4.986 ( 0.329 1.411 -1.377) 1.999 5.929 ( -0.253 0.366 -3.652) 3.679 5.937 ( -0.111 0.620 -4.694) 4.736 6.233 ( 0.874 -3.832 -1.906) 4.368 6.283 ( -1.540 -5.236 1.339) 5.620 6.393 ( -0.837 -3.048 -1.360) 3.441 6.437 ( -0.789 -5.070 -1.661) 5.393 6.520 ( 0.101 1.012 1.122) 1.514 6.585 ( 1.262 -1.982 0.846) 2.497 6.614 ( 1.364 -3.848 -2.391) 4.732 6.632 ( -0.256 -1.916 2.250) 2.966 6.751 ( 1.534 -1.272 0.621) 2.087 6.769 ( -0.324 -1.805 3.165) 3.658 8.356 ( -0.210 1.123 1.500) 1.886 8.377 ( 0.408 0.069 1.121) 1.195 8.467 ( 0.339 -0.385 -0.818) 0.966 8.503 ( 0.501 -1.560 -1.095) 1.971 9.658 ( -0.520 0.177 -0.413) 0.687 9.703 ( -0.033 1.246 -1.666) 2.081 9.754 ( 0.993 -4.574 0.888) 4.764 9.841 ( -0.363 -5.464 0.714) 5.523 11.726 ( -0.055 1.264 -2.742) 3.020 11.734 ( -0.815 0.924 -2.061) 2.401 11.883 ( 0.670 2.073 1.967) 2.936 11.901 ( -0.419 1.186 2.694) 2.973 12.600 ( -0.383 3.123 -0.370) 3.168 12.645 ( -1.479 0.912 2.343) 2.916 12.659 ( 0.920 0.828 -0.144) 1.246 12.678 ( -0.686 -0.078 0.646) 0.946 12.777 ( -1.210 3.434 -1.573) 3.966 12.866 ( -1.832 -0.482 -3.084) 3.619 13.145 ( 3.606 2.902 -0.302) 4.638 13.200 ( 0.416 -0.251 2.152) 2.206 20.823 ( 3.245 1.013 0.232) 3.407 20.909 ( -0.154 -3.619 2.482) 4.391 20.936 ( -1.198 2.237 -0.464) 2.580 21.122 ( -2.934 -5.755 -6.411) 9.101 21.501 ( 0.332 1.734 9.289) 9.455 21.601 ( 1.699 -1.513 0.907) 2.449 21.760 ( -2.642 -3.138 -0.152) 4.105 21.799 ( -1.485 -6.928 1.709) 7.289 21.930 ( -0.374 1.384 -10.235) 10.334 21.981 ( -0.810 0.546 -9.830) 9.879 22.372 ( 3.534 6.752 4.289) 8.745 22.496 ( -0.577 0.120 5.578) 5.609 22.780 ( 0.606 0.904 0.489) 1.193 22.810 ( 0.118 0.264 -0.987) 1.028 22.819 ( 0.085 -0.231 1.295) 1.318 22.857 ( -1.849 -1.922 1.543) 3.081 ======================= Grid point 190 (86/90) ======================= q-point: ( 0.43 0.40 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 142 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.605 ( 0.928 7.467 -1.802) 7.737 0.625 ( -1.430 5.019 -0.997) 5.313 0.672 ( 1.046 3.552 -0.083) 3.704 0.709 ( -2.400 0.313 -0.589) 2.491 0.895 ( 0.394 -0.180 2.001) 2.048 0.911 ( 1.086 0.462 -1.337) 1.783 0.948 ( 2.041 2.904 0.507) 3.585 0.966 ( -0.372 1.674 -0.201) 1.727 1.000 ( 0.577 0.031 3.238) 3.289 1.081 ( -2.273 -0.479 -3.568) 4.258 1.112 ( -1.000 -0.312 0.463) 1.145 1.127 ( -1.660 -3.890 -0.470) 4.255 1.166 ( 0.046 -2.319 1.084) 2.561 1.182 ( -0.697 -2.430 -0.525) 2.581 1.354 ( 0.820 3.198 -1.005) 3.451 1.363 ( -0.643 3.143 -0.338) 3.225 1.403 ( 1.667 1.152 1.549) 2.551 1.423 ( 0.570 1.652 -0.146) 1.754 1.499 ( -0.089 0.899 2.231) 2.407 1.522 ( -0.269 -0.360 -1.067) 1.158 1.530 ( 1.589 -0.028 0.252) 1.609 1.562 ( -1.596 -1.386 -0.204) 2.124 1.639 ( 1.179 0.217 0.945) 1.526 1.661 ( 0.340 0.319 -1.312) 1.392 1.765 ( 1.983 -1.031 0.171) 2.241 1.769 ( 1.193 -0.908 0.555) 1.599 1.866 ( -0.687 -0.825 -0.168) 1.087 1.886 ( -1.897 -1.483 -1.113) 2.653 2.064 ( 0.937 4.277 -1.316) 4.571 2.074 ( -1.880 3.149 1.650) 4.021 2.744 ( 1.599 0.926 -0.836) 2.028 2.765 ( -1.634 0.763 0.366) 1.840 2.806 ( 0.592 -1.658 0.174) 1.770 2.821 ( -0.576 -1.548 -0.623) 1.765 3.123 ( 1.033 1.393 2.715) 3.221 3.177 ( -1.465 2.292 -3.467) 4.406 3.250 ( 1.855 -2.192 1.994) 3.495 3.305 ( -2.311 -2.484 -1.112) 3.570 3.501 ( 2.147 -2.033 0.360) 2.979 3.540 ( -2.453 -3.897 1.489) 4.839 3.594 ( 1.472 0.021 0.765) 1.658 3.644 ( -1.136 -2.715 -3.470) 4.550 4.286 ( -0.027 2.613 0.500) 2.661 4.304 ( -0.791 2.250 -1.661) 2.907 4.882 ( 1.021 -0.000 3.022) 3.190 4.892 ( -0.465 -0.683 3.637) 3.729 4.966 ( -0.119 1.248 -0.046) 1.255 4.973 ( -0.133 1.062 -1.213) 1.618 5.896 ( -0.112 0.302 -1.652) 1.683 5.898 ( 0.069 0.620 -2.304) 2.387 6.240 ( 1.356 -3.414 -0.244) 3.681 6.265 ( -1.559 -3.954 0.040) 4.250 6.378 ( 0.018 -3.913 0.253) 3.922 6.400 ( -1.264 -4.655 -1.565) 5.071 6.555 ( 1.265 -0.034 2.449) 2.756 6.593 ( -0.194 -0.622 -2.134) 2.231 6.619 ( 0.916 -4.820 0.685) 4.954 6.636 ( -0.420 -3.865 -0.210) 3.894 6.778 ( 1.045 -0.253 0.276) 1.110 6.786 ( -0.613 -0.729 1.403) 1.696 8.372 ( -0.060 1.509 1.854) 2.391 8.385 ( 0.212 1.220 -0.776) 1.461 8.474 ( 0.396 -1.723 0.937) 2.001 8.492 ( -0.030 -2.048 -1.627) 2.616 9.660 ( 0.442 1.026 0.723) 1.331 9.681 ( -0.551 1.470 -1.534) 2.195 9.787 ( 1.467 -5.330 1.526) 5.735 9.825 ( -1.349 -5.633 -0.969) 5.872 11.707 ( 0.526 1.027 -1.657) 2.019 11.710 ( -0.852 0.947 -0.058) 1.275 11.906 ( 0.560 1.780 0.575) 1.953 11.912 ( -0.509 1.473 1.072) 1.892 12.600 ( 0.870 3.840 -0.159) 3.940 12.625 ( -2.476 3.084 0.691) 4.015 12.670 ( 0.084 0.314 1.029) 1.079 12.678 ( 0.550 -0.286 -0.988) 1.166 12.771 ( 0.290 1.834 1.544) 2.415 12.809 ( -1.188 0.390 -3.093) 3.336 13.193 ( 2.658 2.100 -0.593) 3.439 13.214 ( -1.096 0.930 1.381) 1.994 20.890 ( 4.253 -0.822 -0.020) 4.332 20.925 ( -0.138 -2.484 2.759) 3.715 20.932 ( -1.477 0.093 2.089) 2.560 21.006 ( -2.904 -3.316 -6.116) 7.539 21.593 ( -0.645 1.290 7.823) 7.955 21.623 ( 1.738 0.146 -2.375) 2.946 21.738 ( -0.766 -1.122 2.740) 3.058 21.795 ( -1.100 -2.682 -3.329) 4.414 21.837 ( -0.603 -2.040 -0.341) 2.154 21.887 ( 0.009 -2.663 -7.609) 8.061 22.458 ( 3.427 5.109 1.464) 6.324 22.507 ( -2.492 2.497 1.632) 3.887 22.799 ( 0.692 0.248 0.952) 1.202 22.809 ( 0.650 -0.011 -0.928) 1.133 22.827 ( 0.283 -0.258 -0.035) 0.384 22.838 ( -1.990 -1.081 1.175) 2.551 ======================= Grid point 194 (87/90) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.739 ( -0.000 0.000 -0.000) 0.000 0.739 ( -0.000 0.000 0.000) 0.000 0.742 ( 0.000 0.000 -0.000) 0.000 0.742 ( 0.000 -0.000 0.000) 0.000 0.825 ( -0.000 0.000 -0.000) 0.000 0.825 ( -0.000 0.000 0.000) 0.000 0.996 ( 0.000 0.000 -0.000) 0.000 0.996 ( -0.000 0.000 0.000) 0.000 1.117 ( -0.000 0.000 -0.000) 0.000 1.117 ( 0.000 0.000 0.000) 0.000 1.165 ( 0.000 0.000 -0.000) 0.000 1.165 ( 0.000 0.000 0.000) 0.000 1.198 ( -0.000 0.000 -0.000) 0.000 1.198 ( -0.000 0.000 0.000) 0.000 1.272 ( -0.000 0.000 -0.000) 0.000 1.272 ( 0.000 0.000 0.000) 0.000 1.395 ( 0.000 0.000 0.000) 0.000 1.395 ( -0.000 0.000 0.000) 0.000 1.524 ( -0.000 0.000 -0.000) 0.000 1.524 ( 0.000 0.000 0.000) 0.000 1.536 ( 0.000 0.000 -0.000) 0.000 1.536 ( -0.000 0.000 0.000) 0.000 1.615 ( -0.000 0.000 0.000) 0.000 1.615 ( -0.000 0.000 0.000) 0.000 1.685 ( 0.000 0.000 -0.000) 0.000 1.685 ( -0.000 0.000 0.000) 0.000 1.959 ( -0.000 0.000 0.000) 0.000 1.959 ( 0.000 0.000 0.000) 0.000 2.100 ( 0.000 0.000 -0.000) 0.000 2.100 ( -0.000 0.000 0.000) 0.000 2.767 ( -0.000 0.000 -0.000) 0.000 2.767 ( 0.000 0.000 0.000) 0.000 2.788 ( 0.000 0.000 -0.000) 0.000 2.788 ( -0.000 -0.000 0.000) 0.000 3.197 ( 0.000 0.000 -0.000) 0.000 3.197 ( -0.000 0.000 0.000) 0.000 3.307 ( 0.000 -0.000 -0.000) 0.000 3.307 ( -0.000 0.000 0.000) 0.000 3.409 ( 0.000 0.000 0.000) 0.000 3.409 ( -0.000 0.000 0.000) 0.000 3.685 ( -0.000 0.000 0.000) 0.000 3.685 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 -0.000) 0.000 4.409 ( -0.000 0.000 0.000) 0.000 4.690 ( -0.000 0.000 0.000) 0.000 4.690 ( 0.000 0.000 0.000) 0.000 5.009 ( -0.000 0.000 0.000) 0.000 5.009 ( 0.000 0.000 0.000) 0.000 6.000 ( 0.000 -0.000 -0.000) 0.000 6.000 ( -0.000 0.000 0.000) 0.000 6.194 ( -0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.410 ( 0.000 -0.000 -0.000) 0.000 6.410 ( 0.000 0.000 0.000) 0.000 6.562 ( -0.000 0.000 -0.000) 0.000 6.562 ( -0.000 0.000 0.000) 0.000 6.585 ( 0.000 0.000 -0.000) 0.000 6.585 ( 0.000 0.000 0.000) 0.000 6.680 ( -0.000 0.000 -0.000) 0.000 6.680 ( 0.000 0.000 0.000) 0.000 8.347 ( -0.000 0.000 0.000) 0.000 8.347 ( 0.000 0.000 0.000) 0.000 8.490 ( -0.000 0.000 0.000) 0.000 8.490 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.695 ( 0.000 0.000 0.000) 0.000 9.739 ( -0.000 -0.000 0.000) 0.000 9.739 ( -0.000 0.000 0.000) 0.000 11.826 ( 0.000 0.000 -0.000) 0.000 11.826 ( -0.000 -0.000 0.000) 0.000 11.833 ( 0.000 0.000 -0.000) 0.000 11.833 ( -0.000 0.000 0.000) 0.000 12.637 ( -0.000 0.000 0.000) 0.000 12.637 ( 0.000 0.000 0.000) 0.000 12.658 ( 0.000 0.000 -0.000) 0.000 12.658 ( -0.000 0.000 0.000) 0.000 12.926 ( 0.000 0.000 -0.000) 0.000 12.926 ( -0.000 0.000 0.000) 0.000 13.108 ( -0.000 0.000 0.000) 0.000 13.108 ( 0.000 0.000 0.000) 0.000 20.825 ( -0.000 0.000 0.000) 0.000 20.825 ( 0.000 0.000 0.000) 0.000 21.088 ( -0.000 0.000 0.000) 0.000 21.088 ( 0.000 0.000 0.000) 0.000 21.452 ( -0.000 0.000 0.000) 0.000 21.452 ( 0.000 0.000 0.000) 0.000 21.758 ( 0.000 0.000 0.000) 0.000 21.758 ( -0.000 0.000 0.000) 0.000 22.229 ( -0.000 -0.000 -0.000) 0.000 22.229 ( -0.000 0.000 -0.000) 0.000 22.247 ( 0.000 -0.000 0.000) 0.000 22.247 ( 0.000 0.000 0.000) 0.000 22.783 ( -0.000 0.000 -0.000) 0.000 22.783 ( -0.000 0.000 0.000) 0.000 22.844 ( -0.000 0.000 0.000) 0.000 22.844 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 198 (88/90) ======================= q-point: ( 0.14 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( -1.881 -1.659 -0.574) 2.573 0.695 ( -1.881 1.659 -0.574) 2.573 0.786 ( 0.857 -2.937 1.244) 3.303 0.786 ( 0.857 2.937 1.244) 3.303 0.826 ( 1.961 -2.701 -2.152) 3.971 0.826 ( 1.961 2.701 -2.152) 3.971 0.984 ( -0.116 -0.835 -1.544) 1.759 0.984 ( -0.116 0.835 -1.544) 1.759 1.101 ( -2.055 -3.983 0.464) 4.506 1.101 ( -2.055 3.983 0.464) 4.506 1.135 ( -1.580 -0.800 -1.289) 2.190 1.135 ( -1.580 0.800 -1.289) 2.190 1.200 ( -1.457 -0.806 1.392) 2.170 1.200 ( -1.457 0.806 1.392) 2.170 1.318 ( 3.323 -0.186 1.842) 3.804 1.318 ( 3.323 0.186 1.842) 3.804 1.402 ( 0.376 -1.145 0.855) 1.477 1.402 ( 0.376 1.145 0.855) 1.477 1.523 ( 0.003 -1.465 -0.383) 1.514 1.523 ( 0.003 1.465 -0.383) 1.514 1.534 ( -0.412 -2.180 0.502) 2.275 1.534 ( -0.412 2.180 0.502) 2.275 1.613 ( 0.504 -1.065 -1.018) 1.557 1.613 ( 0.504 1.065 -1.018) 1.557 1.692 ( 1.504 -0.691 -0.682) 1.790 1.692 ( 1.504 0.691 -0.682) 1.790 1.939 ( -1.514 -0.742 -0.955) 1.938 1.939 ( -1.514 0.742 -0.955) 1.938 2.107 ( -0.321 -0.830 1.330) 1.601 2.107 ( -0.321 0.830 1.330) 1.601 2.759 ( 0.808 -1.268 -2.149) 2.623 2.759 ( 0.808 1.268 -2.149) 2.623 2.797 ( -0.349 -1.179 1.555) 1.982 2.797 ( -0.349 1.179 1.555) 1.982 3.172 ( -1.408 -3.525 -1.288) 4.008 3.172 ( -1.408 3.525 -1.288) 4.008 3.319 ( -0.256 -2.969 1.105) 3.178 3.319 ( -0.256 2.969 1.105) 3.178 3.421 ( 0.675 -0.760 1.593) 1.890 3.421 ( 0.675 0.760 1.593) 1.890 3.672 ( 0.040 -1.179 -2.615) 2.868 3.672 ( 0.040 1.179 -2.615) 2.868 4.384 ( -1.068 -1.553 -2.361) 3.021 4.384 ( -1.068 1.553 -2.361) 3.021 4.733 ( 0.956 -0.640 5.917) 6.027 4.733 ( 0.956 0.640 5.917) 6.027 5.006 ( -0.339 -0.436 0.009) 0.553 5.006 ( -0.339 0.436 0.009) 0.553 5.977 ( -0.433 -0.521 -3.234) 3.304 5.977 ( -0.433 0.521 -3.234) 3.304 6.200 ( 0.640 -1.012 -0.223) 1.218 6.200 ( 0.640 1.012 -0.223) 1.218 6.397 ( -0.630 -1.164 -1.250) 1.820 6.397 ( -0.630 1.164 -1.250) 1.820 6.550 ( -0.046 -1.220 -1.272) 1.763 6.550 ( -0.046 1.220 -1.272) 1.763 6.593 ( 0.874 -1.490 -0.412) 1.776 6.593 ( 0.874 1.490 -0.412) 1.776 6.706 ( 0.188 -0.705 3.993) 4.059 6.706 ( 0.188 0.705 3.993) 4.059 8.353 ( 0.112 -0.162 1.048) 1.067 8.353 ( 0.112 0.162 1.048) 1.067 8.487 ( 0.163 -0.678 -0.912) 1.148 8.487 ( 0.163 0.678 -0.912) 1.148 9.685 ( -0.682 -1.212 -0.027) 1.391 9.685 ( -0.682 1.212 -0.027) 1.391 9.750 ( 0.761 -2.474 0.053) 2.589 9.750 ( 0.761 2.474 0.053) 2.589 11.781 ( -0.451 -0.386 -3.792) 3.839 11.781 ( -0.451 0.386 -3.792) 3.839 11.875 ( 0.151 -0.631 3.722) 3.779 11.875 ( 0.151 0.631 3.722) 3.779 12.637 ( -0.369 -0.582 0.679) 0.967 12.637 ( -0.369 0.582 0.679) 0.967 12.665 ( 0.310 -0.748 0.472) 0.937 12.665 ( 0.310 0.748 0.472) 0.937 12.894 ( -2.060 -2.239 -2.075) 3.683 12.894 ( -2.060 2.239 -2.075) 3.683 13.137 ( 2.370 -1.558 0.912) 2.980 13.137 ( 2.370 1.558 0.912) 2.980 20.831 ( 0.293 -2.052 0.707) 2.190 20.831 ( 0.293 2.052 0.707) 2.190 21.064 ( -0.681 -5.620 -3.173) 6.489 21.064 ( -0.681 5.620 -3.173) 6.489 21.482 ( 0.266 -3.652 4.987) 6.187 21.482 ( 0.266 3.652 4.987) 6.187 21.747 ( -1.254 -0.227 0.034) 1.275 21.747 ( -1.254 0.227 0.034) 1.275 22.101 ( -1.044 -2.521 -11.562) 11.880 22.101 ( -1.044 2.521 -11.562) 11.880 22.369 ( 2.249 -3.905 8.144) 9.307 22.369 ( 2.249 3.905 8.144) 9.307 22.789 ( 0.279 -0.858 0.704) 1.144 22.789 ( 0.279 0.858 0.704) 1.144 22.838 ( -0.733 -0.933 0.042) 1.187 22.838 ( -0.733 0.933 0.042) 1.187 ======================= Grid point 200 (89/90) ======================= q-point: ( 0.29 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -0.977 -1.532 -0.211) 1.829 0.669 ( -0.977 1.532 -0.211) 1.829 0.787 ( -0.299 -4.513 -0.597) 4.562 0.787 ( -0.299 4.512 -0.597) 4.562 0.850 ( 2.923 -3.184 -2.027) 4.774 0.850 ( 2.923 3.184 -2.027) 4.774 0.971 ( -0.875 -0.415 0.679) 1.183 0.971 ( -0.875 0.415 0.679) 1.183 1.062 ( -1.571 -5.782 -1.539) 6.186 1.062 ( -1.571 5.782 -1.539) 6.186 1.109 ( -1.448 -2.085 1.062) 2.752 1.109 ( -1.448 2.086 1.062) 2.752 1.180 ( -2.030 -0.451 0.245) 2.093 1.180 ( -2.030 0.451 0.245) 2.093 1.378 ( 2.361 -0.456 0.400) 2.438 1.378 ( 2.361 0.456 0.400) 2.438 1.417 ( 0.625 -1.237 -0.200) 1.400 1.417 ( 0.625 1.237 -0.200) 1.400 1.521 ( 0.590 -2.268 -0.642) 2.430 1.521 ( 0.590 2.268 -0.642) 2.430 1.535 ( -1.388 -2.301 2.180) 3.460 1.535 ( -1.388 2.301 2.180) 3.460 1.619 ( 1.677 -1.576 -0.372) 2.332 1.619 ( 1.677 1.576 -0.372) 2.332 1.722 ( 2.521 -0.465 -0.194) 2.571 1.722 ( 2.521 0.465 -0.194) 2.571 1.901 ( -1.940 -0.994 -0.958) 2.382 1.901 ( -1.940 0.994 -0.958) 2.382 2.109 ( -0.955 -0.259 1.057) 1.448 2.109 ( -0.955 0.259 1.057) 1.448 2.755 ( 1.305 -1.526 -1.765) 2.674 2.755 ( 1.305 1.526 -1.765) 2.674 2.803 ( -0.604 -1.434 1.041) 1.872 2.803 ( -0.604 1.434 1.041) 1.872 3.147 ( -0.590 -3.892 0.104) 3.938 3.147 ( -0.591 3.892 0.104) 3.938 3.306 ( -1.721 -2.673 -0.299) 3.193 3.306 ( -1.721 2.673 -0.299) 3.193 3.456 ( 0.718 -1.220 2.435) 2.817 3.456 ( 0.718 1.220 2.435) 2.817 3.639 ( 0.140 -1.930 -3.759) 4.228 3.639 ( 0.140 1.930 -3.759) 4.228 4.344 ( -0.917 -1.541 -1.808) 2.546 4.344 ( -0.917 1.541 -1.808) 2.546 4.818 ( 0.823 -0.531 6.944) 7.013 4.818 ( 0.823 0.531 6.944) 7.013 4.997 ( -0.490 -0.513 -0.477) 0.854 4.997 ( -0.490 0.513 -0.477) 0.854 5.933 ( -0.039 -0.481 -4.249) 4.276 5.933 ( -0.039 0.481 -4.249) 4.276 6.206 ( 0.350 -1.445 -0.040) 1.487 6.206 ( 0.350 1.445 -0.040) 1.487 6.369 ( -0.852 -1.338 -1.735) 2.351 6.369 ( -0.852 1.338 -1.735) 2.351 6.546 ( 0.368 -1.735 0.106) 1.777 6.546 ( 0.368 1.735 0.106) 1.777 6.600 ( 0.807 -1.646 -0.932) 2.057 6.600 ( 0.807 1.646 -0.932) 2.057 6.751 ( 0.224 -0.545 3.700) 3.747 6.751 ( 0.224 0.545 3.700) 3.747 8.372 ( 0.304 -0.554 1.808) 1.915 8.372 ( 0.304 0.554 1.808) 1.915 8.477 ( 0.135 -1.083 -1.524) 1.874 8.477 ( 0.135 1.083 -1.524) 1.874 9.683 ( -0.047 -2.367 0.856) 2.517 9.683 ( -0.047 2.367 0.856) 2.517 9.753 ( 0.064 -3.505 -0.923) 3.626 9.753 ( 0.064 3.505 -0.923) 3.626 11.741 ( -0.381 -0.251 -2.631) 2.670 11.741 ( -0.381 0.251 -2.631) 2.670 11.908 ( 0.005 -0.457 2.525) 2.566 11.908 ( 0.005 0.457 2.525) 2.566 12.641 ( -0.295 -1.170 1.141) 1.661 12.641 ( -0.295 1.170 1.141) 1.661 12.672 ( -0.028 -0.464 0.486) 0.672 12.672 ( -0.028 0.464 0.486) 0.672 12.837 ( -1.592 -2.442 -2.540) 3.866 12.837 ( -1.592 2.442 -2.540) 3.866 13.185 ( 2.211 -1.353 0.884) 2.739 13.185 ( 2.211 1.353 0.884) 2.739 20.851 ( 0.725 -2.161 1.689) 2.836 20.851 ( 0.725 2.161 1.689) 2.836 21.012 ( -1.058 -5.186 -4.093) 6.691 21.012 ( -1.058 5.186 -4.093) 6.691 21.551 ( 0.355 -3.202 6.948) 7.659 21.551 ( 0.355 3.202 6.948) 7.659 21.728 ( -1.422 -0.465 0.946) 1.770 21.728 ( -1.422 0.465 0.946) 1.770 21.969 ( -0.604 -1.691 -11.598) 11.736 21.969 ( -0.604 1.691 -11.598) 11.736 22.469 ( 1.756 -3.150 4.871) 6.061 22.469 ( 1.756 3.150 4.871) 6.061 22.801 ( 0.351 -1.067 0.336) 1.172 22.801 ( 0.351 1.067 0.336) 1.172 22.827 ( -0.882 -1.019 0.748) 1.542 22.827 ( -0.882 1.019 0.748) 1.541 ======================= Grid point 202 (90/90) ======================= q-point: ( 0.43 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 6.53e-05 Number of triplets: 84 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.655 ( -0.448 -0.549 -0.141) 0.722 0.655 ( -0.448 0.549 -0.141) 0.722 0.781 ( 0.335 -2.819 -0.486) 2.880 0.781 ( 0.335 2.819 -0.486) 2.880 0.861 ( 0.519 -2.720 -1.100) 2.979 0.861 ( 0.519 2.720 -1.100) 2.979 0.973 ( -0.125 -0.821 1.351) 1.586 0.973 ( -0.125 0.821 1.351) 1.586 1.032 ( -0.395 -3.194 -1.285) 3.465 1.032 ( -0.395 3.194 -1.285) 3.465 1.109 ( -0.274 -1.835 1.517) 2.397 1.109 ( -0.274 1.835 1.517) 2.397 1.146 ( -1.470 -1.393 -0.813) 2.182 1.146 ( -1.470 1.393 -0.813) 2.182 1.406 ( 1.201 -1.236 -0.275) 1.746 1.406 ( 1.201 1.236 -0.275) 1.746 1.418 ( -0.000 -2.159 -0.336) 2.185 1.418 ( -0.000 2.159 -0.336) 2.185 1.526 ( -0.548 -0.311 0.020) 0.631 1.526 ( -0.548 0.312 0.020) 0.631 1.528 ( -0.024 -1.697 0.555) 1.786 1.528 ( -0.024 1.697 0.555) 1.786 1.654 ( 1.418 -1.043 0.651) 1.877 1.654 ( 1.418 1.043 0.651) 1.877 1.755 ( 1.318 -0.345 -0.093) 1.366 1.755 ( 1.318 0.345 -0.093) 1.366 1.865 ( -1.232 -0.646 -0.398) 1.447 1.865 ( -1.232 0.646 -0.398) 1.447 2.102 ( -0.575 -0.123 0.340) 0.679 2.102 ( -0.575 0.123 0.340) 0.679 2.762 ( 0.860 -1.026 -0.727) 1.524 2.762 ( 0.860 1.026 -0.727) 1.524 2.800 ( -0.524 -0.978 0.379) 1.172 2.800 ( -0.524 0.978 0.379) 1.172 3.155 ( 0.378 -2.269 1.010) 2.512 3.155 ( 0.378 2.269 1.010) 2.512 3.270 ( -1.320 -1.840 -1.046) 2.495 3.270 ( -1.320 1.840 -1.047) 2.495 3.485 ( 0.076 -0.982 1.548) 1.835 3.485 ( 0.076 0.982 1.549) 1.835 3.608 ( 0.141 -1.188 -2.164) 2.472 3.608 ( 0.141 1.188 -2.164) 2.472 4.322 ( -0.319 -0.614 -0.592) 0.910 4.322 ( -0.319 0.614 -0.592) 0.910 4.885 ( 0.319 -0.237 3.583) 3.605 4.885 ( 0.319 0.237 3.583) 3.605 4.983 ( -0.259 -0.229 -0.817) 0.887 4.983 ( -0.259 0.229 -0.817) 0.887 5.899 ( 0.076 -0.171 -2.034) 2.042 5.899 ( 0.076 0.171 -2.034) 2.042 6.213 ( 0.230 -0.828 0.310) 0.914 6.213 ( 0.230 0.828 0.310) 0.914 6.341 ( -0.558 -0.707 -1.021) 1.362 6.341 ( -0.558 0.707 -1.021) 1.362 6.557 ( 0.279 -0.916 0.460) 1.062 6.557 ( 0.279 0.916 0.460) 1.062 6.600 ( 0.294 -0.805 -0.615) 1.055 6.600 ( 0.294 0.805 -0.615) 1.055 6.781 ( 0.103 -0.175 1.420) 1.434 6.781 ( 0.103 0.175 1.420) 1.434 8.394 ( 0.235 -0.536 1.261) 1.390 8.394 ( 0.235 0.536 1.261) 1.390 8.463 ( -0.006 -0.731 -1.095) 1.316 8.463 ( -0.006 0.731 -1.095) 1.316 9.701 ( 0.616 -3.030 1.579) 3.472 9.701 ( 0.616 3.030 1.579) 3.472 9.734 ( -0.638 -3.468 -1.644) 3.891 9.734 ( -0.638 3.468 -1.644) 3.891 11.718 ( -0.147 -0.103 -0.940) 0.957 11.718 ( -0.147 0.103 -0.940) 0.957 11.925 ( -0.023 -0.159 0.883) 0.898 11.925 ( -0.023 0.159 0.883) 0.898 12.649 ( -0.175 -1.014 1.057) 1.475 12.649 ( -0.175 1.014 1.057) 1.475 12.672 ( -0.080 -0.309 -0.277) 0.422 12.672 ( -0.080 0.309 -0.277) 0.422 12.800 ( -0.480 -1.125 -1.159) 1.685 12.800 ( -0.480 1.125 -1.159) 1.685 13.218 ( 0.864 -0.503 0.363) 1.063 13.218 ( 0.864 0.503 0.363) 1.063 20.887 ( 1.002 -0.961 2.443) 2.809 20.887 ( 1.002 0.961 2.443) 2.809 20.953 ( -1.111 -1.959 -3.361) 4.046 20.953 ( -1.111 1.959 -3.361) 4.046 21.614 ( 0.133 -0.893 3.462) 3.578 21.614 ( 0.133 0.893 3.462) 3.578 21.738 ( -0.408 -1.536 4.382) 4.661 21.738 ( -0.408 1.536 4.382) 4.661 21.851 ( -0.379 -1.532 -9.081) 9.217 21.851 ( -0.379 1.532 -9.081) 9.217 22.521 ( 0.606 -1.230 1.523) 2.049 22.521 ( 0.606 1.230 1.523) 2.049 22.807 ( 0.383 -0.396 -0.191) 0.583 22.807 ( 0.383 0.396 -0.191) 0.583 22.825 ( -0.573 -0.202 0.754) 0.968 22.825 ( -0.573 0.202 0.754) 0.968 =================== 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 3/26880 10.0 2.849 4.510 3.686 0.000 0.030 0.000 3/26880 20.0 1.085 1.890 1.433 0.000 0.016 0.000 3/26880 30.0 0.701 1.232 0.938 0.000 0.012 0.000 3/26880 40.0 0.525 0.927 0.715 0.000 0.010 0.000 3/26880 50.0 0.421 0.750 0.585 0.000 0.010 0.000 3/26880 60.0 0.353 0.633 0.498 0.000 0.009 0.000 3/26880 70.0 0.304 0.551 0.436 0.000 0.009 0.000 3/26880 80.0 0.268 0.489 0.388 0.000 0.009 0.000 3/26880 90.0 0.239 0.441 0.350 0.000 0.008 0.000 3/26880 100.0 0.216 0.403 0.319 0.000 0.008 0.000 3/26880 110.0 0.198 0.371 0.294 0.000 0.007 0.000 3/26880 120.0 0.182 0.344 0.272 0.000 0.007 0.000 3/26880 130.0 0.169 0.321 0.254 0.000 0.007 0.000 3/26880 140.0 0.158 0.301 0.238 0.000 0.006 0.000 3/26880 150.0 0.148 0.284 0.224 0.000 0.006 0.000 3/26880 160.0 0.140 0.269 0.212 0.000 0.006 0.000 3/26880 170.0 0.132 0.255 0.201 0.000 0.006 0.000 3/26880 180.0 0.126 0.243 0.192 0.000 0.005 0.000 3/26880 190.0 0.120 0.232 0.183 0.000 0.005 0.000 3/26880 200.0 0.115 0.223 0.176 0.000 0.005 0.000 3/26880 210.0 0.110 0.214 0.169 0.000 0.005 0.000 3/26880 220.0 0.105 0.206 0.163 0.000 0.005 0.000 3/26880 230.0 0.102 0.198 0.157 0.000 0.004 0.000 3/26880 240.0 0.098 0.191 0.152 0.000 0.004 0.000 3/26880 250.0 0.094 0.185 0.147 0.000 0.004 0.000 3/26880 260.0 0.091 0.179 0.142 0.000 0.004 0.000 3/26880 270.0 0.088 0.173 0.138 0.000 0.004 0.000 3/26880 280.0 0.086 0.168 0.134 0.000 0.004 0.000 3/26880 290.0 0.083 0.163 0.130 0.000 0.004 0.000 3/26880 300.0 0.081 0.158 0.127 0.000 0.004 0.000 3/26880 310.0 0.079 0.154 0.123 0.000 0.004 0.000 3/26880 320.0 0.076 0.150 0.120 0.000 0.003 0.000 3/26880 330.0 0.074 0.146 0.117 0.000 0.003 0.000 3/26880 340.0 0.073 0.142 0.114 0.000 0.003 0.000 3/26880 350.0 0.071 0.139 0.112 0.000 0.003 0.000 3/26880 360.0 0.069 0.136 0.109 0.000 0.003 0.000 3/26880 370.0 0.067 0.132 0.107 0.000 0.003 0.000 3/26880 380.0 0.066 0.129 0.104 0.000 0.003 0.000 3/26880 390.0 0.064 0.127 0.102 0.000 0.003 0.000 3/26880 400.0 0.063 0.124 0.100 0.000 0.003 0.000 3/26880 410.0 0.062 0.121 0.098 0.000 0.003 0.000 3/26880 420.0 0.060 0.119 0.096 0.000 0.003 0.000 3/26880 430.0 0.059 0.116 0.094 0.000 0.003 0.000 3/26880 440.0 0.058 0.114 0.092 0.000 0.003 0.000 3/26880 450.0 0.057 0.112 0.090 0.000 0.003 0.000 3/26880 460.0 0.056 0.109 0.089 0.000 0.003 0.000 3/26880 470.0 0.055 0.107 0.087 0.000 0.002 0.000 3/26880 480.0 0.054 0.105 0.086 0.000 0.002 0.000 3/26880 490.0 0.053 0.103 0.084 0.000 0.002 0.000 3/26880 500.0 0.052 0.102 0.083 0.000 0.002 0.000 3/26880 510.0 0.051 0.100 0.081 0.000 0.002 0.000 3/26880 520.0 0.050 0.098 0.080 0.000 0.002 0.000 3/26880 530.0 0.049 0.096 0.078 0.000 0.002 0.000 3/26880 540.0 0.048 0.095 0.077 0.000 0.002 0.000 3/26880 550.0 0.047 0.093 0.076 0.000 0.002 0.000 3/26880 560.0 0.047 0.092 0.075 0.000 0.002 0.000 3/26880 570.0 0.046 0.090 0.073 0.000 0.002 0.000 3/26880 580.0 0.045 0.089 0.072 0.000 0.002 0.000 3/26880 590.0 0.044 0.087 0.071 0.000 0.002 0.000 3/26880 600.0 0.044 0.086 0.070 0.000 0.002 0.000 3/26880 610.0 0.043 0.085 0.069 0.000 0.002 0.000 3/26880 620.0 0.042 0.083 0.068 0.000 0.002 0.000 3/26880 630.0 0.042 0.082 0.067 0.000 0.002 0.000 3/26880 640.0 0.041 0.081 0.066 0.000 0.002 0.000 3/26880 650.0 0.041 0.080 0.065 0.000 0.002 0.000 3/26880 660.0 0.040 0.079 0.064 0.000 0.002 0.000 3/26880 670.0 0.039 0.078 0.063 0.000 0.002 0.000 3/26880 680.0 0.039 0.076 0.063 0.000 0.002 0.000 3/26880 690.0 0.038 0.075 0.062 0.000 0.002 0.000 3/26880 700.0 0.038 0.074 0.061 0.000 0.002 0.000 3/26880 710.0 0.037 0.073 0.060 0.000 0.002 0.000 3/26880 720.0 0.037 0.072 0.059 0.000 0.002 0.000 3/26880 730.0 0.036 0.072 0.059 0.000 0.002 0.000 3/26880 740.0 0.036 0.071 0.058 0.000 0.002 0.000 3/26880 750.0 0.035 0.070 0.057 0.000 0.002 0.000 3/26880 760.0 0.035 0.069 0.056 0.000 0.002 0.000 3/26880 770.0 0.035 0.068 0.056 0.000 0.002 0.000 3/26880 780.0 0.034 0.067 0.055 0.000 0.002 0.000 3/26880 790.0 0.034 0.066 0.054 0.000 0.002 0.000 3/26880 800.0 0.033 0.066 0.054 0.000 0.002 0.000 3/26880 810.0 0.033 0.065 0.053 0.000 0.002 0.000 3/26880 820.0 0.033 0.064 0.053 0.000 0.001 0.000 3/26880 830.0 0.032 0.063 0.052 0.000 0.001 0.000 3/26880 840.0 0.032 0.063 0.051 0.000 0.001 0.000 3/26880 850.0 0.031 0.062 0.051 0.000 0.001 0.000 3/26880 860.0 0.031 0.061 0.050 0.000 0.001 0.000 3/26880 870.0 0.031 0.061 0.050 0.000 0.001 0.000 3/26880 880.0 0.030 0.060 0.049 0.000 0.001 0.000 3/26880 890.0 0.030 0.059 0.049 0.000 0.001 0.000 3/26880 900.0 0.030 0.059 0.048 0.000 0.001 0.000 3/26880 910.0 0.029 0.058 0.048 0.000 0.001 0.000 3/26880 920.0 0.029 0.057 0.047 0.000 0.001 0.000 3/26880 930.0 0.029 0.057 0.047 0.000 0.001 0.000 3/26880 940.0 0.029 0.056 0.046 0.000 0.001 0.000 3/26880 950.0 0.028 0.056 0.046 0.000 0.001 0.000 3/26880 960.0 0.028 0.055 0.045 0.000 0.001 0.000 3/26880 970.0 0.028 0.054 0.045 0.000 0.001 0.000 3/26880 980.0 0.027 0.054 0.044 0.000 0.001 0.000 3/26880 990.0 0.027 0.053 0.044 0.000 0.001 0.000 3/26880 1000.0 0.027 0.053 0.044 0.000 0.001 0.000 3/26880 Thermal conductivity related properties were written into "kappa-m7104.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 20:27:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|