----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-09 04:21:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 6.454358170279811 0.000000000000000 0.000000000000000 b 0.000000000000000 6.652807800000000 0.000000000000000 c -5.204484322863713 0.000000000000000 16.439536132465133 Atomic positions (fractional): *1 K 0.77475588371843 0.75269713470406 0.53394516631127 39.098 2 K 0.22524411628157 0.25269713470406 0.96605483368873 39.098 3 K 0.22524411628157 0.24730286529594 0.46605483368873 39.098 4 K 0.77475588371843 0.74730286529594 0.03394516631127 39.098 *5 Si 0.71055127394213 0.26689464195513 0.65883734207158 28.085 6 Si 0.28944872605787 0.76689464195513 0.84116265792842 28.085 7 Si 0.28944872605787 0.73310535804487 0.34116265792842 28.085 8 Si 0.71055127394213 0.23310535804487 0.15883734207158 28.085 *9 Bi 0.26313564856485 0.21478542104475 0.72258451194465 208.980 10 Bi 0.73686435143515 0.71478542104475 0.77741548805535 208.980 11 Bi 0.73686435143515 0.78521457895525 0.27741548805535 208.980 12 Bi 0.26313564856485 0.28521457895525 0.22258451194465 208.980 *13 S 0.47929635640426 0.50322618200699 0.63419985860035 32.065 14 S 0.52070364359574 0.00322618200699 0.86580014139965 32.065 15 S 0.52070364359574 0.49677381799301 0.36580014139965 32.065 16 S 0.47929635640426 0.99677381799301 0.13419985860035 32.065 *17 S 0.91262771905761 0.25920151919517 0.58257807939625 32.065 18 S 0.08737228094239 0.75920151919517 0.91742192060375 32.065 19 S 0.08737228094239 0.74079848080483 0.41742192060375 32.065 20 S 0.91262771905761 0.24079848080483 0.08257807939625 32.065 *21 S 0.51477279249512 0.00354764388454 0.64336655979301 32.065 22 S 0.48522720750488 0.50354764388454 0.85663344020699 32.065 23 S 0.48522720750488 0.99645235611546 0.35663344020700 32.065 24 S 0.51477279249512 0.49645235611546 0.14336655979300 32.065 *25 S 0.90830957752610 0.31549403902985 0.78203690975569 32.065 26 S 0.09169042247390 0.81549403902984 0.71796309024431 32.065 27 S 0.09169042247390 0.68450596097016 0.21796309024431 32.065 28 S 0.90830957752610 0.18450596097016 0.28203690975569 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 6.454358170279811 0.000000000000000 0.000000000000000 b 0.000000000000000 6.652807800000000 0.000000000000000 c -5.204484322863713 0.000000000000000 16.439536132465133 Atomic positions (fractional): *1 K 0.77475588371843 0.75269713470406 0.53394516631127 39.098 > 1 2 K 0.22524411628157 0.25269713470406 0.96605483368873 39.098 > 2 3 K 0.22524411628157 0.24730286529594 0.46605483368873 39.098 > 3 4 K 0.77475588371843 0.74730286529594 0.03394516631127 39.098 > 4 *5 Si 0.71055127394213 0.26689464195513 0.65883734207158 28.085 > 5 6 Si 0.28944872605787 0.76689464195513 0.84116265792842 28.085 > 6 7 Si 0.28944872605787 0.73310535804487 0.34116265792842 28.085 > 7 8 Si 0.71055127394213 0.23310535804487 0.15883734207158 28.085 > 8 *9 Bi 0.26313564856485 0.21478542104475 0.72258451194465 208.980 > 9 10 Bi 0.73686435143515 0.71478542104475 0.77741548805535 208.980 > 10 11 Bi 0.73686435143515 0.78521457895525 0.27741548805535 208.980 > 11 12 Bi 0.26313564856485 0.28521457895525 0.22258451194465 208.980 > 12 *13 S 0.47929635640426 0.50322618200699 0.63419985860035 32.065 > 13 14 S 0.52070364359574 0.00322618200699 0.86580014139965 32.065 > 14 15 S 0.52070364359574 0.49677381799301 0.36580014139965 32.065 > 15 16 S 0.47929635640426 0.99677381799301 0.13419985860035 32.065 > 16 *17 S 0.91262771905761 0.25920151919517 0.58257807939625 32.065 > 17 18 S 0.08737228094239 0.75920151919517 0.91742192060375 32.065 > 18 19 S 0.08737228094239 0.74079848080483 0.41742192060375 32.065 > 19 20 S 0.91262771905761 0.24079848080483 0.08257807939625 32.065 > 20 *21 S 0.51477279249512 0.00354764388454 0.64336655979301 32.065 > 21 22 S 0.48522720750488 0.50354764388454 0.85663344020699 32.065 > 22 23 S 0.48522720750488 0.99645235611546 0.35663344020700 32.065 > 23 24 S 0.51477279249512 0.49645235611546 0.14336655979300 32.065 > 24 *25 S 0.90830957752610 0.31549403902985 0.78203690975569 32.065 > 25 26 S 0.09169042247390 0.81549403902984 0.71796309024431 32.065 > 26 27 S 0.09169042247390 0.68450596097016 0.21796309024431 32.065 > 27 28 S 0.90830957752610 0.18450596097016 0.28203690975569 32.065 > 28 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.908716340559621 0.000000000000000 0.000000000000000 b 0.000000000000000 13.305615599999999 0.000000000000000 c -5.204484322863713 0.000000000000000 16.439536132465133 Atomic positions (fractional): *1 K 0.38737794185922 0.37634856735203 0.53394516631127 39.098 > 1 2 K 0.88737794185922 0.37634856735203 0.53394516631127 39.098 > 1 3 K 0.38737794185922 0.87634856735203 0.53394516631127 39.098 > 1 4 K 0.88737794185922 0.87634856735203 0.53394516631127 39.098 > 1 5 K 0.11262205814078 0.12634856735203 0.96605483368873 39.098 > 2 6 K 0.61262205814078 0.12634856735203 0.96605483368873 39.098 > 2 7 K 0.11262205814078 0.62634856735203 0.96605483368873 39.098 > 2 8 K 0.61262205814078 0.62634856735203 0.96605483368873 39.098 > 2 9 K 0.11262205814078 0.12365143264797 0.46605483368873 39.098 > 3 10 K 0.61262205814078 0.12365143264797 0.46605483368873 39.098 > 3 11 K 0.11262205814078 0.62365143264797 0.46605483368873 39.098 > 3 12 K 0.61262205814078 0.62365143264797 0.46605483368873 39.098 > 3 13 K 0.38737794185922 0.37365143264797 0.03394516631127 39.098 > 4 14 K 0.88737794185922 0.37365143264797 0.03394516631127 39.098 > 4 15 K 0.38737794185922 0.87365143264797 0.03394516631127 39.098 > 4 16 K 0.88737794185922 0.87365143264797 0.03394516631127 39.098 > 4 *17 Si 0.35527563697107 0.13344732097757 0.65883734207158 28.085 > 5 18 Si 0.85527563697107 0.13344732097757 0.65883734207158 28.085 > 5 19 Si 0.35527563697107 0.63344732097757 0.65883734207158 28.085 > 5 20 Si 0.85527563697107 0.63344732097757 0.65883734207158 28.085 > 5 21 Si 0.14472436302893 0.38344732097757 0.84116265792842 28.085 > 6 22 Si 0.64472436302893 0.38344732097757 0.84116265792842 28.085 > 6 23 Si 0.14472436302893 0.88344732097757 0.84116265792842 28.085 > 6 24 Si 0.64472436302893 0.88344732097757 0.84116265792842 28.085 > 6 25 Si 0.14472436302893 0.36655267902243 0.34116265792842 28.085 > 7 26 Si 0.64472436302893 0.36655267902243 0.34116265792842 28.085 > 7 27 Si 0.14472436302893 0.86655267902243 0.34116265792842 28.085 > 7 28 Si 0.64472436302893 0.86655267902243 0.34116265792842 28.085 > 7 29 Si 0.35527563697107 0.11655267902243 0.15883734207158 28.085 > 8 30 Si 0.85527563697107 0.11655267902243 0.15883734207158 28.085 > 8 31 Si 0.35527563697107 0.61655267902243 0.15883734207158 28.085 > 8 32 Si 0.85527563697107 0.61655267902243 0.15883734207158 28.085 > 8 *33 Bi 0.13156782428242 0.10739271052237 0.72258451194465 208.980 > 9 34 Bi 0.63156782428242 0.10739271052237 0.72258451194465 208.980 > 9 35 Bi 0.13156782428242 0.60739271052237 0.72258451194465 208.980 > 9 36 Bi 0.63156782428242 0.60739271052237 0.72258451194465 208.980 > 9 37 Bi 0.36843217571758 0.35739271052237 0.77741548805535 208.980 > 10 38 Bi 0.86843217571758 0.35739271052237 0.77741548805535 208.980 > 10 39 Bi 0.36843217571758 0.85739271052237 0.77741548805535 208.980 > 10 40 Bi 0.86843217571758 0.85739271052237 0.77741548805535 208.980 > 10 41 Bi 0.36843217571758 0.39260728947763 0.27741548805535 208.980 > 11 42 Bi 0.86843217571758 0.39260728947763 0.27741548805535 208.980 > 11 43 Bi 0.36843217571758 0.89260728947763 0.27741548805535 208.980 > 11 44 Bi 0.86843217571758 0.89260728947763 0.27741548805535 208.980 > 11 45 Bi 0.13156782428242 0.14260728947763 0.22258451194465 208.980 > 12 46 Bi 0.63156782428242 0.14260728947763 0.22258451194465 208.980 > 12 47 Bi 0.13156782428242 0.64260728947763 0.22258451194465 208.980 > 12 48 Bi 0.63156782428242 0.64260728947763 0.22258451194465 208.980 > 12 *49 S 0.23964817820213 0.25161309100350 0.63419985860035 32.065 > 13 50 S 0.73964817820213 0.25161309100350 0.63419985860035 32.065 > 13 51 S 0.23964817820213 0.75161309100350 0.63419985860035 32.065 > 13 52 S 0.73964817820213 0.75161309100350 0.63419985860035 32.065 > 13 53 S 0.26035182179787 0.00161309100350 0.86580014139965 32.065 > 14 54 S 0.76035182179787 0.00161309100350 0.86580014139965 32.065 > 14 55 S 0.26035182179787 0.50161309100350 0.86580014139965 32.065 > 14 56 S 0.76035182179787 0.50161309100350 0.86580014139965 32.065 > 14 57 S 0.26035182179787 0.24838690899650 0.36580014139965 32.065 > 15 58 S 0.76035182179787 0.24838690899650 0.36580014139965 32.065 > 15 59 S 0.26035182179787 0.74838690899650 0.36580014139965 32.065 > 15 60 S 0.76035182179787 0.74838690899650 0.36580014139965 32.065 > 15 61 S 0.23964817820213 0.49838690899650 0.13419985860035 32.065 > 16 62 S 0.73964817820213 0.49838690899650 0.13419985860035 32.065 > 16 63 S 0.23964817820213 0.99838690899650 0.13419985860035 32.065 > 16 64 S 0.73964817820213 0.99838690899650 0.13419985860035 32.065 > 16 *65 S 0.45631385952881 0.12960075959758 0.58257807939625 32.065 > 17 66 S 0.95631385952881 0.12960075959758 0.58257807939625 32.065 > 17 67 S 0.45631385952881 0.62960075959758 0.58257807939625 32.065 > 17 68 S 0.95631385952881 0.62960075959758 0.58257807939625 32.065 > 17 69 S 0.04368614047119 0.37960075959758 0.91742192060375 32.065 > 18 70 S 0.54368614047119 0.37960075959758 0.91742192060375 32.065 > 18 71 S 0.04368614047119 0.87960075959758 0.91742192060375 32.065 > 18 72 S 0.54368614047119 0.87960075959758 0.91742192060375 32.065 > 18 73 S 0.04368614047119 0.37039924040242 0.41742192060375 32.065 > 19 74 S 0.54368614047119 0.37039924040242 0.41742192060375 32.065 > 19 75 S 0.04368614047119 0.87039924040242 0.41742192060375 32.065 > 19 76 S 0.54368614047119 0.87039924040242 0.41742192060375 32.065 > 19 77 S 0.45631385952881 0.12039924040241 0.08257807939625 32.065 > 20 78 S 0.95631385952881 0.12039924040241 0.08257807939625 32.065 > 20 79 S 0.45631385952881 0.62039924040242 0.08257807939625 32.065 > 20 80 S 0.95631385952881 0.62039924040242 0.08257807939625 32.065 > 20 *81 S 0.25738639624756 0.00177382194227 0.64336655979301 32.065 > 21 82 S 0.75738639624756 0.00177382194227 0.64336655979301 32.065 > 21 83 S 0.25738639624756 0.50177382194227 0.64336655979301 32.065 > 21 84 S 0.75738639624756 0.50177382194227 0.64336655979301 32.065 > 21 85 S 0.24261360375244 0.25177382194227 0.85663344020699 32.065 > 22 86 S 0.74261360375244 0.25177382194227 0.85663344020699 32.065 > 22 87 S 0.24261360375244 0.75177382194227 0.85663344020699 32.065 > 22 88 S 0.74261360375244 0.75177382194227 0.85663344020699 32.065 > 22 89 S 0.24261360375244 0.49822617805773 0.35663344020700 32.065 > 23 90 S 0.74261360375244 0.49822617805773 0.35663344020700 32.065 > 23 91 S 0.24261360375244 0.99822617805773 0.35663344020700 32.065 > 23 92 S 0.74261360375244 0.99822617805773 0.35663344020700 32.065 > 23 93 S 0.25738639624756 0.24822617805773 0.14336655979300 32.065 > 24 94 S 0.75738639624756 0.24822617805773 0.14336655979300 32.065 > 24 95 S 0.25738639624756 0.74822617805773 0.14336655979300 32.065 > 24 96 S 0.75738639624756 0.74822617805773 0.14336655979300 32.065 > 24 *97 S 0.45415478876305 0.15774701951492 0.78203690975569 32.065 > 25 98 S 0.95415478876305 0.15774701951492 0.78203690975569 32.065 > 25 99 S 0.45415478876305 0.65774701951492 0.78203690975569 32.065 > 25 100 S 0.95415478876305 0.65774701951492 0.78203690975569 32.065 > 25 101 S 0.04584521123695 0.40774701951492 0.71796309024431 32.065 > 26 102 S 0.54584521123695 0.40774701951492 0.71796309024431 32.065 > 26 103 S 0.04584521123695 0.90774701951492 0.71796309024431 32.065 > 26 104 S 0.54584521123695 0.90774701951492 0.71796309024431 32.065 > 26 105 S 0.04584521123695 0.34225298048508 0.21796309024431 32.065 > 27 106 S 0.54584521123695 0.34225298048508 0.21796309024431 32.065 > 27 107 S 0.04584521123695 0.84225298048508 0.21796309024431 32.065 > 27 108 S 0.54584521123695 0.84225298048508 0.21796309024431 32.065 > 27 109 S 0.45415478876305 0.09225298048508 0.28203690975569 32.065 > 28 110 S 0.95415478876305 0.09225298048508 0.28203690975569 32.065 > 28 111 S 0.45415478876305 0.59225298048508 0.28203690975569 32.065 > 28 112 S 0.95415478876305 0.59225298048508 0.28203690975569 32.065 > 28 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4462696 0.0000000 -0.0486397 0.0000000 7.1434777 0.0000000 -0.0486427 0.0000000 4.4816956 -------------------------- Born effective charges -------------------------- 1 K 1.2070110 -0.0174870 -0.1052794 0.0160100 1.2816283 0.0943053 -0.1142464 0.0347510 1.9250932 2 K 1.2070110 0.0174870 -0.1052794 -0.0160100 1.2816283 -0.0943053 -0.1142464 -0.0347510 1.9250932 3 K 1.2070110 -0.0174870 -0.1052794 0.0160100 1.2816283 0.0943053 -0.1142464 0.0347510 1.9250932 4 K 1.2070110 0.0174870 -0.1052794 -0.0160100 1.2816283 -0.0943053 -0.1142464 -0.0347510 1.9250932 5 Si 3.5528159 0.4382318 0.1379880 0.2299155 2.2809896 1.0854413 -0.4705592 0.0637160 0.8617894 6 Si 3.5528159 -0.4382318 0.1379880 -0.2299155 2.2809896 -1.0854413 -0.4705592 -0.0637160 0.8617894 7 Si 3.5528159 0.4382318 0.1379880 0.2299155 2.2809896 1.0854413 -0.4705592 0.0637160 0.8617894 8 Si 3.5528159 -0.4382318 0.1379880 -0.2299155 2.2809896 -1.0854413 -0.4705592 -0.0637160 0.8617894 9 Bi 6.0035050 0.4863317 0.0846745 -0.5591265 5.2251191 0.0558791 0.1662021 -0.3465796 2.4856395 10 Bi 6.0035050 -0.4863317 0.0846745 0.5591265 5.2251191 -0.0558791 0.1662021 0.3465796 2.4856395 11 Bi 6.0035050 0.4863317 0.0846745 -0.5591265 5.2251191 0.0558791 0.1662021 -0.3465796 2.4856395 12 Bi 6.0035050 -0.4863317 0.0846745 0.5591265 5.2251191 -0.0558791 0.1662021 0.3465796 2.4856395 13 S -2.2474039 -0.3483655 -0.2231836 -0.6152025 -2.5897132 -0.4176224 0.0817790 -0.1532553 -1.3846775 14 S -2.2474039 0.3483655 -0.2231836 0.6152025 -2.5897132 0.4176224 0.0817790 0.1532553 -1.3846775 15 S -2.2474039 -0.3483655 -0.2231836 -0.6152025 -2.5897132 -0.4176224 0.0817790 -0.1532553 -1.3846775 16 S -2.2474039 0.3483655 -0.2231836 0.6152025 -2.5897132 0.4176224 0.0817790 0.1532553 -1.3846775 17 S -2.8657470 0.0364250 -0.0624228 0.3443047 -0.9142220 0.0920438 0.0142011 0.0941523 -1.7458028 18 S -2.8657470 -0.0364250 -0.0624228 -0.3443047 -0.9142220 -0.0920438 0.0142011 -0.0941523 -1.7458028 19 S -2.8657470 0.0364250 -0.0624228 0.3443047 -0.9142220 0.0920438 0.0142011 0.0941523 -1.7458028 20 S -2.8657470 -0.0364250 -0.0624228 -0.3443047 -0.9142220 -0.0920438 0.0142011 -0.0941523 -1.7458028 21 S -2.7014893 0.2336303 0.3614114 0.3598341 -2.8946621 0.2227081 0.2672930 0.0791818 -1.0324773 22 S -2.7014893 -0.2336303 0.3614114 -0.3598341 -2.8946621 -0.2227081 0.2672930 -0.0791818 -1.0324773 23 S -2.7014893 0.2336303 0.3614114 0.3598341 -2.8946621 0.2227081 0.2672930 0.0791818 -1.0324773 24 S -2.7014893 -0.2336303 0.3614114 -0.3598341 -2.8946621 -0.2227081 0.2672930 -0.0791818 -1.0324773 25 S -2.9486918 1.0139598 -0.1931881 0.9370839 -2.3891395 -0.7622113 0.0553304 -0.2578005 -1.1095643 26 S -2.9486918 -1.0139598 -0.1931881 -0.9370839 -2.3891395 0.7622113 0.0553304 0.2578005 -1.1095643 27 S -2.9486918 1.0139598 -0.1931881 0.9370839 -2.3891395 -0.7622113 0.0553304 -0.2578005 -1.1095643 28 S -2.9486918 -1.0139598 -0.1931881 -0.9370839 -2.3891395 0.7622113 0.0553304 0.2578005 -1.1095643 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 112 / 112 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 880 - Time: 0.915 Solver_block: 200 / 880 - Time: 0.817 Solver_block: 300 / 880 - Time: 0.809 Solver_block: 400 / 880 - Time: 0.816 Solver_block: 500 / 880 - Time: 0.814 Solver_block: 600 / 880 - Time: 0.813 Solver_block: 700 / 880 - Time: 0.821 Solver_block: 800 / 880 - Time: 0.821 Solver_block: 880 / 880 - Time: 0.679 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.477 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) Permutation basis: 336/336 Permutation basis: 14448/14448 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3654 Number of blocks in projector: 3654 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: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 784 / 784 (1) 275 eigenvectors found. (1) Complementary block size: 22 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 784 Use submatrix version of eigh solver. (1) Block: 500 / 784 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 238 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 784 / 784 (1) 270 eigenvectors found. (1) Complementary block size: 28 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 434 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 434 Use standard eigh solver. Tree of FC basis block matrices: - (3654, 3592), data: False |-- (434, 427), data: True |-- (434, 427), data: True |-- (434, 427), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True |-- (784, 771), data: False |-- (784, 9), data: (784, 22) @ (22, 9) |-- (284, 275), data: True |-- (500, 487), data: False |-- (500, 11), data: (500, 24) @ (24, 11) |-- (250, 239), data: True |-- (250, 237), data: True |-- (784, 770), data: False |-- (784, 14), data: (784, 28) @ (28, 14) |-- (284, 270), data: True |-- (500, 486), data: False |-- (500, 12), data: (500, 26) @ (26, 12) |-- (250, 238), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-09 04:21:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:21:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: 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 6.454358170279811 0.000000000000000 0.000000000000000 b 0.000000000000000 6.652807800000000 0.000000000000000 c -5.204484322863713 0.000000000000000 16.439536132465133 Atomic positions (fractional): 1 K 0.77475588371843 0.75269713470406 0.53394516631127 39.098 2 K 0.22524411628157 0.25269713470406 0.96605483368873 39.098 3 K 0.22524411628157 0.24730286529594 0.46605483368873 39.098 4 K 0.77475588371843 0.74730286529594 0.03394516631127 39.098 5 Si 0.71055127394213 0.26689464195513 0.65883734207158 28.085 6 Si 0.28944872605787 0.76689464195513 0.84116265792842 28.085 7 Si 0.28944872605787 0.73310535804487 0.34116265792842 28.085 8 Si 0.71055127394213 0.23310535804487 0.15883734207158 28.085 9 Bi 0.26313564856485 0.21478542104475 0.72258451194465 208.980 10 Bi 0.73686435143515 0.71478542104475 0.77741548805535 208.980 11 Bi 0.73686435143515 0.78521457895525 0.27741548805535 208.980 12 Bi 0.26313564856485 0.28521457895525 0.22258451194465 208.980 13 S 0.47929635640426 0.50322618200699 0.63419985860035 32.065 14 S 0.52070364359574 0.00322618200699 0.86580014139965 32.065 15 S 0.52070364359574 0.49677381799301 0.36580014139965 32.065 16 S 0.47929635640426 0.99677381799301 0.13419985860035 32.065 17 S 0.91262771905761 0.25920151919517 0.58257807939625 32.065 18 S 0.08737228094239 0.75920151919517 0.91742192060375 32.065 19 S 0.08737228094239 0.74079848080483 0.41742192060375 32.065 20 S 0.91262771905761 0.24079848080483 0.08257807939625 32.065 21 S 0.51477279249512 0.00354764388454 0.64336655979301 32.065 22 S 0.48522720750488 0.50354764388454 0.85663344020699 32.065 23 S 0.48522720750488 0.99645235611546 0.35663344020700 32.065 24 S 0.51477279249512 0.49645235611546 0.14336655979300 32.065 25 S 0.90830957752610 0.31549403902985 0.78203690975569 32.065 26 S 0.09169042247390 0.81549403902984 0.71796309024431 32.065 27 S 0.09169042247390 0.68450596097016 0.21796309024431 32.065 28 S 0.90830957752610 0.18450596097016 0.28203690975569 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.908716340559621 0.000000000000000 0.000000000000000 b 0.000000000000000 13.305615599999999 0.000000000000000 c -5.204484322863713 0.000000000000000 16.439536132465133 Atomic positions (fractional): 1 K 0.38737794185922 0.37634856735203 0.53394516631127 39.098 > 1 2 K 0.88737794185922 0.37634856735203 0.53394516631127 39.098 > 1 3 K 0.38737794185922 0.87634856735203 0.53394516631127 39.098 > 1 4 K 0.88737794185922 0.87634856735203 0.53394516631127 39.098 > 1 5 K 0.11262205814078 0.12634856735203 0.96605483368873 39.098 > 5 6 K 0.61262205814078 0.12634856735203 0.96605483368873 39.098 > 5 7 K 0.11262205814078 0.62634856735203 0.96605483368873 39.098 > 5 8 K 0.61262205814078 0.62634856735203 0.96605483368873 39.098 > 5 9 K 0.11262205814078 0.12365143264797 0.46605483368873 39.098 > 9 10 K 0.61262205814078 0.12365143264797 0.46605483368873 39.098 > 9 11 K 0.11262205814078 0.62365143264797 0.46605483368873 39.098 > 9 12 K 0.61262205814078 0.62365143264797 0.46605483368873 39.098 > 9 13 K 0.38737794185922 0.37365143264797 0.03394516631127 39.098 > 13 14 K 0.88737794185922 0.37365143264797 0.03394516631127 39.098 > 13 15 K 0.38737794185922 0.87365143264797 0.03394516631127 39.098 > 13 16 K 0.88737794185922 0.87365143264797 0.03394516631127 39.098 > 13 17 Si 0.35527563697107 0.13344732097757 0.65883734207158 28.085 > 17 18 Si 0.85527563697107 0.13344732097757 0.65883734207158 28.085 > 17 19 Si 0.35527563697107 0.63344732097757 0.65883734207158 28.085 > 17 20 Si 0.85527563697107 0.63344732097757 0.65883734207158 28.085 > 17 21 Si 0.14472436302893 0.38344732097757 0.84116265792842 28.085 > 21 22 Si 0.64472436302893 0.38344732097757 0.84116265792842 28.085 > 21 23 Si 0.14472436302893 0.88344732097757 0.84116265792842 28.085 > 21 24 Si 0.64472436302893 0.88344732097757 0.84116265792842 28.085 > 21 25 Si 0.14472436302893 0.36655267902243 0.34116265792842 28.085 > 25 26 Si 0.64472436302893 0.36655267902243 0.34116265792842 28.085 > 25 27 Si 0.14472436302893 0.86655267902243 0.34116265792842 28.085 > 25 28 Si 0.64472436302893 0.86655267902243 0.34116265792842 28.085 > 25 29 Si 0.35527563697107 0.11655267902243 0.15883734207158 28.085 > 29 30 Si 0.85527563697107 0.11655267902243 0.15883734207158 28.085 > 29 31 Si 0.35527563697107 0.61655267902243 0.15883734207158 28.085 > 29 32 Si 0.85527563697107 0.61655267902243 0.15883734207158 28.085 > 29 33 Bi 0.13156782428242 0.10739271052237 0.72258451194465 208.980 > 33 34 Bi 0.63156782428242 0.10739271052237 0.72258451194465 208.980 > 33 35 Bi 0.13156782428242 0.60739271052237 0.72258451194465 208.980 > 33 36 Bi 0.63156782428242 0.60739271052237 0.72258451194465 208.980 > 33 37 Bi 0.36843217571758 0.35739271052237 0.77741548805535 208.980 > 37 38 Bi 0.86843217571758 0.35739271052237 0.77741548805535 208.980 > 37 39 Bi 0.36843217571758 0.85739271052237 0.77741548805535 208.980 > 37 40 Bi 0.86843217571758 0.85739271052237 0.77741548805535 208.980 > 37 41 Bi 0.36843217571758 0.39260728947763 0.27741548805535 208.980 > 41 42 Bi 0.86843217571758 0.39260728947763 0.27741548805535 208.980 > 41 43 Bi 0.36843217571758 0.89260728947763 0.27741548805535 208.980 > 41 44 Bi 0.86843217571758 0.89260728947763 0.27741548805535 208.980 > 41 45 Bi 0.13156782428242 0.14260728947763 0.22258451194465 208.980 > 45 46 Bi 0.63156782428242 0.14260728947763 0.22258451194465 208.980 > 45 47 Bi 0.13156782428242 0.64260728947763 0.22258451194465 208.980 > 45 48 Bi 0.63156782428242 0.64260728947763 0.22258451194465 208.980 > 45 49 S 0.23964817820213 0.25161309100350 0.63419985860035 32.065 > 49 50 S 0.73964817820213 0.25161309100350 0.63419985860035 32.065 > 49 51 S 0.23964817820213 0.75161309100350 0.63419985860035 32.065 > 49 52 S 0.73964817820213 0.75161309100350 0.63419985860035 32.065 > 49 53 S 0.26035182179787 0.00161309100350 0.86580014139965 32.065 > 53 54 S 0.76035182179787 0.00161309100350 0.86580014139965 32.065 > 53 55 S 0.26035182179787 0.50161309100350 0.86580014139965 32.065 > 53 56 S 0.76035182179787 0.50161309100350 0.86580014139965 32.065 > 53 57 S 0.26035182179787 0.24838690899650 0.36580014139965 32.065 > 57 58 S 0.76035182179787 0.24838690899650 0.36580014139965 32.065 > 57 59 S 0.26035182179787 0.74838690899650 0.36580014139965 32.065 > 57 60 S 0.76035182179787 0.74838690899650 0.36580014139965 32.065 > 57 61 S 0.23964817820213 0.49838690899650 0.13419985860035 32.065 > 61 62 S 0.73964817820213 0.49838690899650 0.13419985860035 32.065 > 61 63 S 0.23964817820213 0.99838690899650 0.13419985860035 32.065 > 61 64 S 0.73964817820213 0.99838690899650 0.13419985860035 32.065 > 61 65 S 0.45631385952881 0.12960075959758 0.58257807939625 32.065 > 65 66 S 0.95631385952881 0.12960075959758 0.58257807939625 32.065 > 65 67 S 0.45631385952881 0.62960075959758 0.58257807939625 32.065 > 65 68 S 0.95631385952881 0.62960075959758 0.58257807939625 32.065 > 65 69 S 0.04368614047119 0.37960075959758 0.91742192060375 32.065 > 69 70 S 0.54368614047119 0.37960075959758 0.91742192060375 32.065 > 69 71 S 0.04368614047119 0.87960075959758 0.91742192060375 32.065 > 69 72 S 0.54368614047119 0.87960075959758 0.91742192060375 32.065 > 69 73 S 0.04368614047119 0.37039924040242 0.41742192060375 32.065 > 73 74 S 0.54368614047119 0.37039924040242 0.41742192060375 32.065 > 73 75 S 0.04368614047119 0.87039924040242 0.41742192060375 32.065 > 73 76 S 0.54368614047119 0.87039924040242 0.41742192060375 32.065 > 73 77 S 0.45631385952881 0.12039924040241 0.08257807939625 32.065 > 77 78 S 0.95631385952881 0.12039924040241 0.08257807939625 32.065 > 77 79 S 0.45631385952881 0.62039924040242 0.08257807939625 32.065 > 77 80 S 0.95631385952881 0.62039924040242 0.08257807939625 32.065 > 77 81 S 0.25738639624756 0.00177382194227 0.64336655979301 32.065 > 81 82 S 0.75738639624756 0.00177382194227 0.64336655979301 32.065 > 81 83 S 0.25738639624756 0.50177382194227 0.64336655979301 32.065 > 81 84 S 0.75738639624756 0.50177382194227 0.64336655979301 32.065 > 81 85 S 0.24261360375244 0.25177382194227 0.85663344020699 32.065 > 85 86 S 0.74261360375244 0.25177382194227 0.85663344020699 32.065 > 85 87 S 0.24261360375244 0.75177382194227 0.85663344020699 32.065 > 85 88 S 0.74261360375244 0.75177382194227 0.85663344020699 32.065 > 85 89 S 0.24261360375244 0.49822617805773 0.35663344020700 32.065 > 89 90 S 0.74261360375244 0.49822617805773 0.35663344020700 32.065 > 89 91 S 0.24261360375244 0.99822617805773 0.35663344020700 32.065 > 89 92 S 0.74261360375244 0.99822617805773 0.35663344020700 32.065 > 89 93 S 0.25738639624756 0.24822617805773 0.14336655979300 32.065 > 93 94 S 0.75738639624756 0.24822617805773 0.14336655979300 32.065 > 93 95 S 0.25738639624756 0.74822617805773 0.14336655979300 32.065 > 93 96 S 0.75738639624756 0.74822617805773 0.14336655979300 32.065 > 93 97 S 0.45415478876305 0.15774701951492 0.78203690975569 32.065 > 97 98 S 0.95415478876305 0.15774701951492 0.78203690975569 32.065 > 97 99 S 0.45415478876305 0.65774701951492 0.78203690975569 32.065 > 97 100 S 0.95415478876305 0.65774701951492 0.78203690975569 32.065 > 97 101 S 0.04584521123695 0.40774701951492 0.71796309024431 32.065 > 101 102 S 0.54584521123695 0.40774701951492 0.71796309024431 32.065 > 101 103 S 0.04584521123695 0.90774701951492 0.71796309024431 32.065 > 101 104 S 0.54584521123695 0.90774701951492 0.71796309024431 32.065 > 101 105 S 0.04584521123695 0.34225298048508 0.21796309024431 32.065 > 105 106 S 0.54584521123695 0.34225298048508 0.21796309024431 32.065 > 105 107 S 0.04584521123695 0.84225298048508 0.21796309024431 32.065 > 105 108 S 0.54584521123695 0.84225298048508 0.21796309024431 32.065 > 105 109 S 0.45415478876305 0.09225298048508 0.28203690975569 32.065 > 109 110 S 0.95415478876305 0.09225298048508 0.28203690975569 32.065 > 109 111 S 0.45415478876305 0.59225298048508 0.28203690975569 32.065 > 109 112 S 0.95415478876305 0.59225298048508 0.28203690975569 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 7.4462696 0.0000000 -0.0486397 0.0000000 7.1434777 0.0000000 -0.0486427 0.0000000 4.4816956 -------------------------- Born effective charges -------------------------- 1 K 1.2070110 -0.0174870 -0.1052794 0.0160100 1.2816283 0.0943053 -0.1142464 0.0347510 1.9250932 2 K 1.2070110 0.0174870 -0.1052794 -0.0160100 1.2816283 -0.0943053 -0.1142464 -0.0347510 1.9250932 3 K 1.2070110 -0.0174870 -0.1052794 0.0160100 1.2816283 0.0943053 -0.1142464 0.0347510 1.9250932 4 K 1.2070110 0.0174870 -0.1052794 -0.0160100 1.2816283 -0.0943053 -0.1142464 -0.0347510 1.9250932 5 Si 3.5528159 0.4382318 0.1379880 0.2299155 2.2809896 1.0854413 -0.4705592 0.0637160 0.8617894 6 Si 3.5528159 -0.4382318 0.1379880 -0.2299155 2.2809896 -1.0854413 -0.4705592 -0.0637160 0.8617894 7 Si 3.5528159 0.4382318 0.1379880 0.2299155 2.2809896 1.0854413 -0.4705592 0.0637160 0.8617894 8 Si 3.5528159 -0.4382318 0.1379880 -0.2299155 2.2809896 -1.0854413 -0.4705592 -0.0637160 0.8617894 9 Bi 6.0035050 0.4863317 0.0846745 -0.5591265 5.2251191 0.0558791 0.1662021 -0.3465796 2.4856395 10 Bi 6.0035050 -0.4863317 0.0846745 0.5591265 5.2251191 -0.0558791 0.1662021 0.3465796 2.4856395 11 Bi 6.0035050 0.4863317 0.0846745 -0.5591265 5.2251191 0.0558791 0.1662021 -0.3465796 2.4856395 12 Bi 6.0035050 -0.4863317 0.0846745 0.5591265 5.2251191 -0.0558791 0.1662021 0.3465796 2.4856395 13 S -2.2474039 -0.3483655 -0.2231836 -0.6152025 -2.5897132 -0.4176224 0.0817790 -0.1532553 -1.3846775 14 S -2.2474039 0.3483655 -0.2231836 0.6152025 -2.5897132 0.4176224 0.0817790 0.1532553 -1.3846775 15 S -2.2474039 -0.3483655 -0.2231836 -0.6152025 -2.5897132 -0.4176224 0.0817790 -0.1532553 -1.3846775 16 S -2.2474039 0.3483655 -0.2231836 0.6152025 -2.5897132 0.4176224 0.0817790 0.1532553 -1.3846775 17 S -2.8657470 0.0364250 -0.0624228 0.3443047 -0.9142220 0.0920438 0.0142011 0.0941523 -1.7458028 18 S -2.8657470 -0.0364250 -0.0624228 -0.3443047 -0.9142220 -0.0920438 0.0142011 -0.0941523 -1.7458028 19 S -2.8657470 0.0364250 -0.0624228 0.3443047 -0.9142220 0.0920438 0.0142011 0.0941523 -1.7458028 20 S -2.8657470 -0.0364250 -0.0624228 -0.3443047 -0.9142220 -0.0920438 0.0142011 -0.0941523 -1.7458028 21 S -2.7014893 0.2336303 0.3614114 0.3598341 -2.8946621 0.2227081 0.2672930 0.0791818 -1.0324773 22 S -2.7014893 -0.2336303 0.3614114 -0.3598341 -2.8946621 -0.2227081 0.2672930 -0.0791818 -1.0324773 23 S -2.7014893 0.2336303 0.3614114 0.3598341 -2.8946621 0.2227081 0.2672930 0.0791818 -1.0324773 24 S -2.7014893 -0.2336303 0.3614114 -0.3598341 -2.8946621 -0.2227081 0.2672930 -0.0791818 -1.0324773 25 S -2.9486918 1.0139598 -0.1931881 0.9370839 -2.3891395 -0.7622113 0.0553304 -0.2578005 -1.1095643 26 S -2.9486918 -1.0139598 -0.1931881 -0.9370839 -2.3891395 0.7622113 0.0553304 0.2578005 -1.1095643 27 S -2.9486918 1.0139598 -0.1931881 0.9370839 -2.3891395 -0.7622113 0.0553304 -0.2578005 -1.1095643 28 S -2.9486918 -1.0139598 -0.1931881 -0.9370839 -2.3891395 0.7622113 0.0553304 0.2578005 -1.1095643 ---------------------------------------------------------------------------- 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] 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] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0030 0.0000 0.0095] [ 0.0030 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000002 (xz) 0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:22:22]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-09 04:22:22]------------------------- 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 6.454358170279811 0.000000000000000 0.000000000000000 b 0.000000000000000 6.652807800000000 0.000000000000000 c -5.204484322863713 0.000000000000000 16.439536132465133 Atomic positions (fractional): 1 K 0.77475588371843 0.75269713470406 0.53394516631127 39.098 2 K 0.22524411628157 0.25269713470406 0.96605483368873 39.098 3 K 0.22524411628157 0.24730286529594 0.46605483368873 39.098 4 K 0.77475588371843 0.74730286529594 0.03394516631127 39.098 5 Si 0.71055127394213 0.26689464195513 0.65883734207158 28.085 6 Si 0.28944872605787 0.76689464195513 0.84116265792842 28.085 7 Si 0.28944872605787 0.73310535804487 0.34116265792842 28.085 8 Si 0.71055127394213 0.23310535804487 0.15883734207158 28.085 9 Bi 0.26313564856485 0.21478542104475 0.72258451194465 208.980 10 Bi 0.73686435143515 0.71478542104475 0.77741548805535 208.980 11 Bi 0.73686435143515 0.78521457895525 0.27741548805535 208.980 12 Bi 0.26313564856485 0.28521457895525 0.22258451194465 208.980 13 S 0.47929635640426 0.50322618200699 0.63419985860035 32.065 14 S 0.52070364359574 0.00322618200699 0.86580014139965 32.065 15 S 0.52070364359574 0.49677381799301 0.36580014139965 32.065 16 S 0.47929635640426 0.99677381799301 0.13419985860035 32.065 17 S 0.91262771905761 0.25920151919517 0.58257807939625 32.065 18 S 0.08737228094239 0.75920151919517 0.91742192060375 32.065 19 S 0.08737228094239 0.74079848080483 0.41742192060375 32.065 20 S 0.91262771905761 0.24079848080483 0.08257807939625 32.065 21 S 0.51477279249512 0.00354764388454 0.64336655979301 32.065 22 S 0.48522720750488 0.50354764388454 0.85663344020699 32.065 23 S 0.48522720750488 0.99645235611546 0.35663344020700 32.065 24 S 0.51477279249512 0.49645235611546 0.14336655979300 32.065 25 S 0.90830957752610 0.31549403902985 0.78203690975569 32.065 26 S 0.09169042247390 0.81549403902984 0.71796309024431 32.065 27 S 0.09169042247390 0.68450596097016 0.21796309024431 32.065 28 S 0.90830957752610 0.18450596097016 0.28203690975569 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.908716340559621 0.000000000000000 0.000000000000000 b 0.000000000000000 13.305615599999999 0.000000000000000 c -5.204484322863713 0.000000000000000 16.439536132465133 Atomic positions (fractional): 1 K 0.38737794185922 0.37634856735203 0.53394516631127 39.098 > 1 2 K 0.88737794185922 0.37634856735203 0.53394516631127 39.098 > 1 3 K 0.38737794185922 0.87634856735203 0.53394516631127 39.098 > 1 4 K 0.88737794185922 0.87634856735203 0.53394516631127 39.098 > 1 5 K 0.11262205814078 0.12634856735203 0.96605483368873 39.098 > 5 6 K 0.61262205814078 0.12634856735203 0.96605483368873 39.098 > 5 7 K 0.11262205814078 0.62634856735203 0.96605483368873 39.098 > 5 8 K 0.61262205814078 0.62634856735203 0.96605483368873 39.098 > 5 9 K 0.11262205814078 0.12365143264797 0.46605483368873 39.098 > 9 10 K 0.61262205814078 0.12365143264797 0.46605483368873 39.098 > 9 11 K 0.11262205814078 0.62365143264797 0.46605483368873 39.098 > 9 12 K 0.61262205814078 0.62365143264797 0.46605483368873 39.098 > 9 13 K 0.38737794185922 0.37365143264797 0.03394516631127 39.098 > 13 14 K 0.88737794185922 0.37365143264797 0.03394516631127 39.098 > 13 15 K 0.38737794185922 0.87365143264797 0.03394516631127 39.098 > 13 16 K 0.88737794185922 0.87365143264797 0.03394516631127 39.098 > 13 17 Si 0.35527563697107 0.13344732097757 0.65883734207158 28.085 > 17 18 Si 0.85527563697107 0.13344732097757 0.65883734207158 28.085 > 17 19 Si 0.35527563697107 0.63344732097757 0.65883734207158 28.085 > 17 20 Si 0.85527563697107 0.63344732097757 0.65883734207158 28.085 > 17 21 Si 0.14472436302893 0.38344732097757 0.84116265792842 28.085 > 21 22 Si 0.64472436302893 0.38344732097757 0.84116265792842 28.085 > 21 23 Si 0.14472436302893 0.88344732097757 0.84116265792842 28.085 > 21 24 Si 0.64472436302893 0.88344732097757 0.84116265792842 28.085 > 21 25 Si 0.14472436302893 0.36655267902243 0.34116265792842 28.085 > 25 26 Si 0.64472436302893 0.36655267902243 0.34116265792842 28.085 > 25 27 Si 0.14472436302893 0.86655267902243 0.34116265792842 28.085 > 25 28 Si 0.64472436302893 0.86655267902243 0.34116265792842 28.085 > 25 29 Si 0.35527563697107 0.11655267902243 0.15883734207158 28.085 > 29 30 Si 0.85527563697107 0.11655267902243 0.15883734207158 28.085 > 29 31 Si 0.35527563697107 0.61655267902243 0.15883734207158 28.085 > 29 32 Si 0.85527563697107 0.61655267902243 0.15883734207158 28.085 > 29 33 Bi 0.13156782428242 0.10739271052237 0.72258451194465 208.980 > 33 34 Bi 0.63156782428242 0.10739271052237 0.72258451194465 208.980 > 33 35 Bi 0.13156782428242 0.60739271052237 0.72258451194465 208.980 > 33 36 Bi 0.63156782428242 0.60739271052237 0.72258451194465 208.980 > 33 37 Bi 0.36843217571758 0.35739271052237 0.77741548805535 208.980 > 37 38 Bi 0.86843217571758 0.35739271052237 0.77741548805535 208.980 > 37 39 Bi 0.36843217571758 0.85739271052237 0.77741548805535 208.980 > 37 40 Bi 0.86843217571758 0.85739271052237 0.77741548805535 208.980 > 37 41 Bi 0.36843217571758 0.39260728947763 0.27741548805535 208.980 > 41 42 Bi 0.86843217571758 0.39260728947763 0.27741548805535 208.980 > 41 43 Bi 0.36843217571758 0.89260728947763 0.27741548805535 208.980 > 41 44 Bi 0.86843217571758 0.89260728947763 0.27741548805535 208.980 > 41 45 Bi 0.13156782428242 0.14260728947763 0.22258451194465 208.980 > 45 46 Bi 0.63156782428242 0.14260728947763 0.22258451194465 208.980 > 45 47 Bi 0.13156782428242 0.64260728947763 0.22258451194465 208.980 > 45 48 Bi 0.63156782428242 0.64260728947763 0.22258451194465 208.980 > 45 49 S 0.23964817820213 0.25161309100350 0.63419985860035 32.065 > 49 50 S 0.73964817820213 0.25161309100350 0.63419985860035 32.065 > 49 51 S 0.23964817820213 0.75161309100350 0.63419985860035 32.065 > 49 52 S 0.73964817820213 0.75161309100350 0.63419985860035 32.065 > 49 53 S 0.26035182179787 0.00161309100350 0.86580014139965 32.065 > 53 54 S 0.76035182179787 0.00161309100350 0.86580014139965 32.065 > 53 55 S 0.26035182179787 0.50161309100350 0.86580014139965 32.065 > 53 56 S 0.76035182179787 0.50161309100350 0.86580014139965 32.065 > 53 57 S 0.26035182179787 0.24838690899650 0.36580014139965 32.065 > 57 58 S 0.76035182179787 0.24838690899650 0.36580014139965 32.065 > 57 59 S 0.26035182179787 0.74838690899650 0.36580014139965 32.065 > 57 60 S 0.76035182179787 0.74838690899650 0.36580014139965 32.065 > 57 61 S 0.23964817820213 0.49838690899650 0.13419985860035 32.065 > 61 62 S 0.73964817820213 0.49838690899650 0.13419985860035 32.065 > 61 63 S 0.23964817820213 0.99838690899650 0.13419985860035 32.065 > 61 64 S 0.73964817820213 0.99838690899650 0.13419985860035 32.065 > 61 65 S 0.45631385952881 0.12960075959758 0.58257807939625 32.065 > 65 66 S 0.95631385952881 0.12960075959758 0.58257807939625 32.065 > 65 67 S 0.45631385952881 0.62960075959758 0.58257807939625 32.065 > 65 68 S 0.95631385952881 0.62960075959758 0.58257807939625 32.065 > 65 69 S 0.04368614047119 0.37960075959758 0.91742192060375 32.065 > 69 70 S 0.54368614047119 0.37960075959758 0.91742192060375 32.065 > 69 71 S 0.04368614047119 0.87960075959758 0.91742192060375 32.065 > 69 72 S 0.54368614047119 0.87960075959758 0.91742192060375 32.065 > 69 73 S 0.04368614047119 0.37039924040242 0.41742192060375 32.065 > 73 74 S 0.54368614047119 0.37039924040242 0.41742192060375 32.065 > 73 75 S 0.04368614047119 0.87039924040242 0.41742192060375 32.065 > 73 76 S 0.54368614047119 0.87039924040242 0.41742192060375 32.065 > 73 77 S 0.45631385952881 0.12039924040241 0.08257807939625 32.065 > 77 78 S 0.95631385952881 0.12039924040241 0.08257807939625 32.065 > 77 79 S 0.45631385952881 0.62039924040242 0.08257807939625 32.065 > 77 80 S 0.95631385952881 0.62039924040242 0.08257807939625 32.065 > 77 81 S 0.25738639624756 0.00177382194227 0.64336655979301 32.065 > 81 82 S 0.75738639624756 0.00177382194227 0.64336655979301 32.065 > 81 83 S 0.25738639624756 0.50177382194227 0.64336655979301 32.065 > 81 84 S 0.75738639624756 0.50177382194227 0.64336655979301 32.065 > 81 85 S 0.24261360375244 0.25177382194227 0.85663344020699 32.065 > 85 86 S 0.74261360375244 0.25177382194227 0.85663344020699 32.065 > 85 87 S 0.24261360375244 0.75177382194227 0.85663344020699 32.065 > 85 88 S 0.74261360375244 0.75177382194227 0.85663344020699 32.065 > 85 89 S 0.24261360375244 0.49822617805773 0.35663344020700 32.065 > 89 90 S 0.74261360375244 0.49822617805773 0.35663344020700 32.065 > 89 91 S 0.24261360375244 0.99822617805773 0.35663344020700 32.065 > 89 92 S 0.74261360375244 0.99822617805773 0.35663344020700 32.065 > 89 93 S 0.25738639624756 0.24822617805773 0.14336655979300 32.065 > 93 94 S 0.75738639624756 0.24822617805773 0.14336655979300 32.065 > 93 95 S 0.25738639624756 0.74822617805773 0.14336655979300 32.065 > 93 96 S 0.75738639624756 0.74822617805773 0.14336655979300 32.065 > 93 97 S 0.45415478876305 0.15774701951492 0.78203690975569 32.065 > 97 98 S 0.95415478876305 0.15774701951492 0.78203690975569 32.065 > 97 99 S 0.45415478876305 0.65774701951492 0.78203690975569 32.065 > 97 100 S 0.95415478876305 0.65774701951492 0.78203690975569 32.065 > 97 101 S 0.04584521123695 0.40774701951492 0.71796309024431 32.065 > 101 102 S 0.54584521123695 0.40774701951492 0.71796309024431 32.065 > 101 103 S 0.04584521123695 0.90774701951492 0.71796309024431 32.065 > 101 104 S 0.54584521123695 0.90774701951492 0.71796309024431 32.065 > 101 105 S 0.04584521123695 0.34225298048508 0.21796309024431 32.065 > 105 106 S 0.54584521123695 0.34225298048508 0.21796309024431 32.065 > 105 107 S 0.04584521123695 0.84225298048508 0.21796309024431 32.065 > 105 108 S 0.54584521123695 0.84225298048508 0.21796309024431 32.065 > 105 109 S 0.45415478876305 0.09225298048508 0.28203690975569 32.065 > 109 110 S 0.95415478876305 0.09225298048508 0.28203690975569 32.065 > 109 111 S 0.45415478876305 0.59225298048508 0.28203690975569 32.065 > 109 112 S 0.95415478876305 0.59225298048508 0.28203690975569 32.065 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 7.4462696 0.0000000 -0.0486397 0.0000000 7.1434777 0.0000000 -0.0486427 0.0000000 4.4816956 -------------------------- Born effective charges -------------------------- 1 K 1.2070110 -0.0174870 -0.1052794 0.0160100 1.2816283 0.0943053 -0.1142464 0.0347510 1.9250932 2 K 1.2070110 0.0174870 -0.1052794 -0.0160100 1.2816283 -0.0943053 -0.1142464 -0.0347510 1.9250932 3 K 1.2070110 -0.0174870 -0.1052794 0.0160100 1.2816283 0.0943053 -0.1142464 0.0347510 1.9250932 4 K 1.2070110 0.0174870 -0.1052794 -0.0160100 1.2816283 -0.0943053 -0.1142464 -0.0347510 1.9250932 5 Si 3.5528159 0.4382318 0.1379880 0.2299155 2.2809896 1.0854413 -0.4705592 0.0637160 0.8617894 6 Si 3.5528159 -0.4382318 0.1379880 -0.2299155 2.2809896 -1.0854413 -0.4705592 -0.0637160 0.8617894 7 Si 3.5528159 0.4382318 0.1379880 0.2299155 2.2809896 1.0854413 -0.4705592 0.0637160 0.8617894 8 Si 3.5528159 -0.4382318 0.1379880 -0.2299155 2.2809896 -1.0854413 -0.4705592 -0.0637160 0.8617894 9 Bi 6.0035050 0.4863317 0.0846745 -0.5591265 5.2251191 0.0558791 0.1662021 -0.3465796 2.4856395 10 Bi 6.0035050 -0.4863317 0.0846745 0.5591265 5.2251191 -0.0558791 0.1662021 0.3465796 2.4856395 11 Bi 6.0035050 0.4863317 0.0846745 -0.5591265 5.2251191 0.0558791 0.1662021 -0.3465796 2.4856395 12 Bi 6.0035050 -0.4863317 0.0846745 0.5591265 5.2251191 -0.0558791 0.1662021 0.3465796 2.4856395 13 S -2.2474039 -0.3483655 -0.2231836 -0.6152025 -2.5897132 -0.4176224 0.0817790 -0.1532553 -1.3846775 14 S -2.2474039 0.3483655 -0.2231836 0.6152025 -2.5897132 0.4176224 0.0817790 0.1532553 -1.3846775 15 S -2.2474039 -0.3483655 -0.2231836 -0.6152025 -2.5897132 -0.4176224 0.0817790 -0.1532553 -1.3846775 16 S -2.2474039 0.3483655 -0.2231836 0.6152025 -2.5897132 0.4176224 0.0817790 0.1532553 -1.3846775 17 S -2.8657470 0.0364250 -0.0624228 0.3443047 -0.9142220 0.0920438 0.0142011 0.0941523 -1.7458028 18 S -2.8657470 -0.0364250 -0.0624228 -0.3443047 -0.9142220 -0.0920438 0.0142011 -0.0941523 -1.7458028 19 S -2.8657470 0.0364250 -0.0624228 0.3443047 -0.9142220 0.0920438 0.0142011 0.0941523 -1.7458028 20 S -2.8657470 -0.0364250 -0.0624228 -0.3443047 -0.9142220 -0.0920438 0.0142011 -0.0941523 -1.7458028 21 S -2.7014893 0.2336303 0.3614114 0.3598341 -2.8946621 0.2227081 0.2672930 0.0791818 -1.0324773 22 S -2.7014893 -0.2336303 0.3614114 -0.3598341 -2.8946621 -0.2227081 0.2672930 -0.0791818 -1.0324773 23 S -2.7014893 0.2336303 0.3614114 0.3598341 -2.8946621 0.2227081 0.2672930 0.0791818 -1.0324773 24 S -2.7014893 -0.2336303 0.3614114 -0.3598341 -2.8946621 -0.2227081 0.2672930 -0.0791818 -1.0324773 25 S -2.9486918 1.0139598 -0.1931881 0.9370839 -2.3891395 -0.7622113 0.0553304 -0.2578005 -1.1095643 26 S -2.9486918 -1.0139598 -0.1931881 -0.9370839 -2.3891395 0.7622113 0.0553304 0.2578005 -1.1095643 27 S -2.9486918 1.0139598 -0.1931881 0.9370839 -2.3891395 -0.7622113 0.0553304 -0.2578005 -1.1095643 28 S -2.9486918 -1.0139598 -0.1931881 -0.9370839 -2.3891395 0.7622113 0.0553304 0.2578005 -1.1095643 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 8 8 3 ] 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: 0.47, Number of G-points: 291, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/65) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 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 0.594 ( 0.000 0.000 0.000) 0.000 0.714 ( 0.000 0.000 0.000) 0.000 1.237 ( 0.000 0.000 0.000) 0.000 1.571 ( 0.000 0.000 0.000) 0.000 1.581 ( 0.000 0.000 0.000) 0.000 1.695 ( 0.000 0.000 0.000) 0.000 1.703 ( 0.000 0.000 0.000) 0.000 1.723 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.832 ( 0.000 0.000 0.000) 0.000 1.879 ( 0.000 0.000 0.000) 0.000 2.143 ( 0.000 0.000 0.000) 0.000 2.157 ( 0.000 0.000 0.000) 0.000 2.177 ( 0.000 0.000 0.000) 0.000 2.243 ( 0.000 0.000 0.000) 0.000 2.268 ( 0.000 0.000 0.000) 0.000 2.469 ( 0.000 0.000 0.000) 0.000 2.500 ( 0.000 0.000 0.000) 0.000 2.528 ( 0.000 0.000 0.000) 0.000 2.814 ( 0.000 0.000 0.000) 0.000 2.846 ( 0.000 0.000 0.000) 0.000 2.892 ( 0.000 0.000 0.000) 0.000 2.911 ( 0.000 0.000 0.000) 0.000 3.103 ( 0.000 0.000 0.000) 0.000 3.187 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.455 ( 0.000 0.000 0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.640 ( 0.000 0.000 0.000) 0.000 3.659 ( 0.000 0.000 0.000) 0.000 3.753 ( 0.000 0.000 0.000) 0.000 3.776 ( 0.000 0.000 0.000) 0.000 3.808 ( 0.000 0.000 0.000) 0.000 4.040 ( 0.000 0.000 0.000) 0.000 4.047 ( 0.000 0.000 0.000) 0.000 4.080 ( 0.000 0.000 0.000) 0.000 4.092 ( 0.000 0.000 0.000) 0.000 4.282 ( 0.000 0.000 0.000) 0.000 4.300 ( 0.000 0.000 0.000) 0.000 4.453 ( 0.000 0.000 0.000) 0.000 4.562 ( 0.000 0.000 0.000) 0.000 4.626 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 5.100 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.439 ( 0.000 0.000 0.000) 0.000 5.454 ( 0.000 0.000 0.000) 0.000 5.963 ( 0.000 0.000 0.000) 0.000 5.984 ( 0.000 0.000 0.000) 0.000 6.263 ( 0.000 0.000 0.000) 0.000 6.273 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.535 ( 0.000 0.000 0.000) 0.000 7.101 ( 0.000 0.000 0.000) 0.000 7.106 ( 0.000 0.000 0.000) 0.000 7.269 ( 0.000 0.000 0.000) 0.000 7.271 ( 0.000 0.000 0.000) 0.000 7.357 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 0.000) 0.000 7.659 ( 0.000 0.000 0.000) 0.000 7.965 ( 0.000 0.000 0.000) 0.000 7.972 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 8.022 ( 0.000 0.000 0.000) 0.000 11.589 ( 0.000 0.000 0.000) 0.000 11.596 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 0.000 0.000) 0.000 11.659 ( 0.000 0.000 0.000) 0.000 14.973 ( 0.000 0.000 0.000) 0.000 15.024 ( 0.000 0.000 0.000) 0.000 15.042 ( 0.000 0.000 0.000) 0.000 15.083 ( 0.000 0.000 0.000) 0.000 15.129 ( 0.000 0.000 0.000) 0.000 15.139 ( 0.000 0.000 0.000) 0.000 15.186 ( 0.000 0.000 0.000) 0.000 15.254 ( 0.000 0.000 0.000) 0.000 16.151 ( 0.000 0.000 0.000) 0.000 16.176 ( 0.000 0.000 0.000) 0.000 16.259 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/65) ======================= q-point: ( 0.12 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.341 ( 19.934 0.000 4.544) 20.445 0.391 ( 16.187 0.000 9.471) 18.754 0.662 ( 16.348 0.000 1.373) 16.405 0.806 ( 31.411 0.000 -2.952) 31.549 0.934 ( 16.512 0.000 -2.145) 16.651 1.126 ( -7.346 0.000 0.261) 7.350 1.573 ( -1.146 0.000 -0.182) 1.161 1.573 ( -1.362 0.000 0.353) 1.407 1.726 ( 2.037 0.000 2.181) 2.984 1.750 ( -1.129 0.000 1.947) 2.250 1.792 ( 4.809 0.000 -2.618) 5.475 1.828 ( -1.837 0.000 -1.912) 2.652 1.864 ( 6.473 0.000 -2.912) 7.098 1.908 ( 1.478 0.000 1.381) 2.023 2.130 ( -1.796 0.000 0.013) 1.796 2.145 ( -2.759 0.000 -1.310) 3.054 2.185 ( 0.928 0.000 -0.249) 0.961 2.260 ( 0.957 0.000 0.967) 1.360 2.328 ( 4.988 0.000 1.865) 5.325 2.443 ( -0.805 0.000 -4.223) 4.299 2.570 ( 5.902 0.000 1.429) 6.073 2.575 ( 3.994 0.000 1.249) 4.185 2.818 ( -0.178 0.000 0.242) 0.300 2.846 ( 0.555 0.000 -0.105) 0.565 2.890 ( -0.100 0.000 0.357) 0.371 2.908 ( -0.016 0.000 -0.933) 0.933 3.094 ( -1.038 0.000 0.920) 1.387 3.192 ( -0.171 0.000 -1.528) 1.537 3.428 ( -0.400 0.000 -0.750) 0.850 3.429 ( -2.934 0.000 2.549) 3.886 3.490 ( -4.895 0.000 -1.997) 5.287 3.573 ( -6.437 0.000 1.768) 6.675 3.737 ( -1.198 0.000 1.423) 1.860 3.787 ( 0.358 0.000 -1.047) 1.106 3.968 ( -3.265 0.000 0.048) 3.265 3.990 ( -6.042 0.000 -0.484) 6.062 4.018 ( 14.401 0.000 -11.523) 18.444 4.105 ( -0.490 0.000 1.041) 1.151 4.108 ( 2.560 0.000 -1.076) 2.777 4.158 ( -3.854 0.000 2.204) 4.440 4.332 ( 0.440 0.000 1.161) 1.242 4.363 ( -1.256 0.000 1.425) 1.900 4.583 ( -0.079 0.000 5.527) 5.527 4.693 ( 5.052 0.000 1.993) 5.431 4.790 ( 6.361 0.000 7.888) 10.133 4.814 ( -0.833 0.000 -10.108) 10.142 5.109 ( -5.703 0.000 -2.278) 6.141 5.422 ( -1.880 0.000 -5.148) 5.481 5.483 ( 3.510 0.000 -0.028) 3.510 5.488 ( 1.995 0.000 0.856) 2.171 5.923 ( -4.461 0.000 0.484) 4.487 5.937 ( -4.634 0.000 -0.562) 4.668 6.276 ( 1.413 0.000 -0.542) 1.513 6.289 ( 1.065 0.000 0.939) 1.419 6.494 ( -3.381 0.000 0.175) 3.385 6.506 ( -2.694 0.000 -0.063) 2.695 6.881 ( -12.585 0.000 0.892) 12.616 6.951 ( -11.732 0.000 -2.037) 11.908 7.145 ( -7.598 0.000 -1.831) 7.815 7.239 ( -7.834 0.000 2.227) 8.145 7.556 ( 6.661 0.000 -0.167) 6.663 7.623 ( 6.770 0.000 -1.123) 6.863 7.767 ( 9.262 0.000 3.842) 10.027 7.904 ( -4.640 0.000 -2.756) 5.397 7.935 ( 5.201 0.000 -0.861) 5.272 7.957 ( 11.896 0.000 -3.576) 12.422 8.128 ( 6.650 0.000 -1.580) 6.835 8.346 ( 2.876 0.000 -0.446) 2.910 11.584 ( -0.451 0.000 0.176) 0.484 11.591 ( -0.407 0.000 -0.147) 0.433 11.658 ( -0.104 0.000 0.112) 0.153 11.677 ( -0.119 0.000 -0.278) 0.303 14.952 ( -3.188 0.000 1.924) 3.724 15.011 ( -3.270 0.000 -0.579) 3.321 15.045 ( 1.255 0.000 0.098) 1.259 15.071 ( -0.711 0.000 0.054) 0.713 15.143 ( 1.436 0.000 0.006) 1.437 15.153 ( 1.435 0.000 -0.067) 1.436 15.245 ( 0.448 0.000 -1.698) 1.756 15.277 ( -0.983 0.000 3.089) 3.242 16.103 ( -0.083 0.000 -0.933) 0.936 16.199 ( 3.513 0.000 3.510) 4.965 16.551 ( 15.399 0.000 7.931) 17.322 16.817 ( 6.283 0.000 -25.528) 26.290 ======================= Grid point 2 (3/65) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 14.789 0.000 4.397) 15.429 0.746 ( 17.739 0.000 3.597) 18.100 0.926 ( 12.675 0.000 1.643) 12.781 0.973 ( 0.251 0.000 -10.316) 10.319 1.245 ( 9.388 0.000 2.220) 9.647 1.371 ( 20.793 0.000 -0.704) 20.805 1.517 ( -3.977 0.000 -1.003) 4.101 1.531 ( -2.271 0.000 0.855) 2.427 1.686 ( -5.436 0.000 -0.605) 5.469 1.708 ( -4.435 0.000 2.026) 4.875 1.825 ( 2.498 0.000 0.913) 2.660 1.831 ( 2.095 0.000 -2.253) 3.077 1.956 ( 3.022 0.000 2.890) 4.181 2.040 ( 5.151 0.000 -0.116) 5.152 2.091 ( -2.295 0.000 0.691) 2.396 2.095 ( 3.495 0.000 -2.265) 4.165 2.211 ( 1.241 0.000 0.173) 1.253 2.259 ( -1.829 0.000 -0.173) 1.837 2.412 ( 1.828 0.000 -4.517) 4.873 2.445 ( 4.476 0.000 2.444) 5.100 2.666 ( 3.588 0.000 0.182) 3.592 2.699 ( 5.022 0.000 0.925) 5.106 2.831 ( 2.120 0.000 -0.792) 2.264 2.879 ( 2.408 0.000 0.945) 2.587 2.900 ( 0.183 0.000 -0.868) 0.887 2.904 ( 1.731 0.000 0.440) 1.786 3.084 ( -1.196 0.000 3.002) 3.232 3.154 ( -2.121 0.000 -2.055) 2.953 3.362 ( -5.121 0.000 3.229) 6.054 3.384 ( -4.679 0.000 0.729) 4.735 3.429 ( -0.169 0.000 -2.269) 2.275 3.448 ( -5.761 0.000 -1.031) 5.853 3.718 ( -3.264 0.000 0.933) 3.395 3.745 ( -2.907 0.000 -3.361) 4.444 3.867 ( -2.202 0.000 0.482) 2.254 3.933 ( -0.498 0.000 -0.310) 0.587 4.084 ( -0.755 0.000 0.258) 0.798 4.097 ( -0.237 0.000 0.107) 0.260 4.138 ( 2.940 0.000 -2.675) 3.975 4.214 ( 1.519 0.000 2.882) 3.258 4.317 ( 1.338 0.000 -3.170) 3.441 4.404 ( 1.427 0.000 0.639) 1.564 4.676 ( 4.910 0.000 4.224) 6.476 4.727 ( -3.984 0.000 -2.827) 4.885 4.811 ( 6.021 0.000 0.857) 6.082 4.830 ( -4.355 0.000 0.282) 4.364 5.066 ( 1.994 0.000 3.762) 4.258 5.333 ( -3.642 0.000 -5.068) 6.241 5.527 ( 1.135 0.000 0.255) 1.163 5.545 ( 2.425 0.000 0.288) 2.442 5.809 ( -6.707 0.000 0.333) 6.716 5.815 ( -6.804 0.000 -0.307) 6.811 6.299 ( 0.972 0.000 -0.666) 1.178 6.309 ( -0.042 0.000 0.879) 0.880 6.429 ( -2.612 0.000 0.318) 2.631 6.447 ( -2.733 0.000 -0.334) 2.753 6.693 ( -8.018 0.000 2.480) 8.392 6.717 ( -9.626 0.000 -2.405) 9.922 7.031 ( -1.977 0.000 -3.192) 3.755 7.145 ( -3.235 0.000 2.289) 3.963 7.579 ( -4.674 0.000 -1.989) 5.079 7.643 ( 0.138 0.000 4.575) 4.577 7.783 ( -4.414 0.000 -4.713) 6.457 7.866 ( -0.525 0.000 1.767) 1.843 8.141 ( 8.359 0.000 1.630) 8.517 8.149 ( 8.679 0.000 -1.047) 8.742 8.267 ( 7.997 0.000 0.460) 8.010 8.396 ( 2.433 0.000 -1.314) 2.765 11.579 ( -0.181 0.000 0.348) 0.393 11.581 ( -0.426 0.000 -0.259) 0.498 11.654 ( -0.412 0.000 0.130) 0.432 11.669 ( -0.618 0.000 -0.283) 0.680 14.901 ( -2.657 0.000 0.791) 2.773 14.935 ( -3.379 0.000 -0.779) 3.468 15.063 ( 0.547 0.000 -0.111) 0.559 15.064 ( -0.200 0.000 0.200) 0.283 15.181 ( 2.297 0.000 0.107) 2.300 15.191 ( 2.399 0.000 -0.132) 2.403 15.257 ( 1.175 0.000 -0.594) 1.317 15.279 ( -0.034 0.000 0.560) 0.561 16.138 ( 3.394 0.000 -1.851) 3.866 16.312 ( 4.496 0.000 6.208) 7.665 16.767 ( 1.519 0.000 -15.032) 15.108 16.846 ( 8.756 0.000 8.658) 12.314 ======================= Grid point 3 (4/65) ======================= q-point: ( 0.38 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.956 ( 7.091 0.000 -5.806) 9.165 1.023 ( 13.444 0.000 1.119) 13.490 1.091 ( 11.875 0.000 0.727) 11.898 1.148 ( 8.490 0.000 0.083) 8.490 1.274 ( -6.087 0.000 -1.891) 6.374 1.433 ( -4.830 0.000 1.684) 5.116 1.475 ( 0.620 0.000 0.053) 0.622 1.482 ( -6.951 0.000 0.287) 6.956 1.617 ( -5.117 0.000 0.928) 5.200 1.711 ( 4.128 0.000 3.135) 5.183 1.862 ( 2.469 0.000 -2.484) 3.502 1.911 ( 4.233 0.000 1.088) 4.371 1.995 ( -3.800 0.000 -0.309) 3.812 2.024 ( -1.632 0.000 -1.261) 2.063 2.105 ( 7.299 0.000 1.001) 7.368 2.180 ( -3.406 0.000 0.250) 3.415 2.231 ( 0.589 0.000 0.606) 0.845 2.272 ( 7.798 0.000 -0.217) 7.801 2.486 ( 6.067 0.000 -1.609) 6.276 2.489 ( -1.200 0.000 1.039) 1.588 2.696 ( 0.390 0.000 -0.594) 0.711 2.757 ( 1.344 0.000 0.386) 1.398 2.842 ( -0.613 0.000 -1.464) 1.587 2.898 ( -0.834 0.000 1.172) 1.438 2.952 ( 4.957 0.000 -0.131) 4.958 2.975 ( 3.166 0.000 0.191) 3.171 3.068 ( -2.510 0.000 2.475) 3.525 3.103 ( -1.122 0.000 -2.536) 2.773 3.304 ( -2.450 0.000 0.402) 2.483 3.318 ( -4.967 0.000 -0.229) 4.972 3.353 ( 0.807 0.000 3.162) 3.264 3.408 ( -2.272 0.000 -1.820) 2.911 3.618 ( -5.341 0.000 1.165) 5.466 3.676 ( -0.636 0.000 -3.499) 3.556 3.914 ( -2.678 0.000 0.620) 2.749 3.937 ( 6.271 0.000 0.318) 6.279 4.062 ( -3.158 0.000 0.858) 3.273 4.097 ( -0.428 0.000 -0.871) 0.970 4.157 ( 0.984 0.000 0.980) 1.389 4.179 ( -1.095 0.000 -0.501) 1.204 4.423 ( 7.130 0.000 -0.561) 7.152 4.423 ( 1.107 0.000 0.103) 1.112 4.617 ( -7.259 0.000 -0.352) 7.268 4.625 ( -5.120 0.000 0.091) 5.121 4.896 ( 6.524 0.000 0.145) 6.526 4.924 ( 4.789 0.000 -0.267) 4.797 5.110 ( -0.599 0.000 3.117) 3.174 5.238 ( -3.101 0.000 -3.085) 4.374 5.538 ( 0.701 0.000 0.131) 0.713 5.577 ( 1.099 0.000 0.269) 1.132 5.697 ( -4.704 0.000 0.036) 4.704 5.700 ( -4.876 0.000 -0.059) 4.876 6.293 ( -1.584 0.000 0.348) 1.622 6.297 ( -0.710 0.000 -0.305) 0.773 6.408 ( -0.016 0.000 0.095) 0.096 6.413 ( -0.628 0.000 -0.109) 0.638 6.570 ( -4.270 0.000 -1.748) 4.614 6.597 ( -3.579 0.000 2.180) 4.190 7.021 ( 2.069 0.000 -2.485) 3.233 7.132 ( -0.004 0.000 1.915) 1.915 7.488 ( -3.261 0.000 -0.999) 3.411 7.610 ( -4.088 0.000 1.941) 4.525 7.712 ( -1.335 0.000 -1.608) 2.090 7.817 ( -3.999 0.000 0.486) 4.028 8.266 ( 4.916 0.000 0.576) 4.949 8.275 ( 4.914 0.000 -0.434) 4.933 8.367 ( 1.194 0.000 1.090) 1.617 8.413 ( 0.008 0.000 -0.947) 0.947 11.574 ( -0.086 0.000 -0.213) 0.229 11.581 ( 0.176 0.000 0.307) 0.354 11.645 ( -0.511 0.000 0.095) 0.520 11.653 ( -0.724 0.000 -0.228) 0.759 14.864 ( -1.424 0.000 0.300) 1.455 14.882 ( -1.692 0.000 -0.358) 1.730 15.063 ( -0.017 0.000 0.186) 0.187 15.067 ( 0.079 0.000 -0.144) 0.164 15.225 ( 1.958 0.000 0.157) 1.964 15.236 ( 2.179 0.000 -0.202) 2.188 15.272 ( 0.498 0.000 -0.144) 0.518 15.280 ( -0.221 0.000 0.152) 0.269 16.186 ( 2.265 0.000 -1.266) 2.595 16.433 ( 3.326 0.000 7.265) 7.990 16.697 ( -0.335 0.000 -10.881) 10.886 16.998 ( 3.212 0.000 4.693) 5.687 ======================= Grid point 4 (5/65) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 35 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 0.000 -0.000) 0.000 1.104 ( -0.000 0.000 0.000) 0.000 1.226 ( -0.000 0.000 0.000) 0.000 1.233 ( 0.000 0.000 0.000) 0.000 1.265 ( 0.000 0.000 0.000) 0.000 1.268 ( -0.000 0.000 -0.000) 0.000 1.433 ( 0.000 0.000 0.000) 0.000 1.488 ( -0.000 0.000 0.000) 0.000 1.555 ( 0.000 0.000 0.000) 0.000 1.763 ( 0.000 0.000 0.000) 0.000 1.884 ( 0.000 0.000 0.000) 0.000 1.943 ( -0.000 0.000 0.000) 0.000 1.964 ( 0.000 0.000 0.000) 0.000 1.982 ( -0.000 0.000 0.000) 0.000 2.140 ( 0.000 0.000 0.000) 0.000 2.207 ( 0.000 0.000 -0.000) 0.000 2.238 ( 0.000 0.000 0.000) 0.000 2.366 ( 0.000 0.000 0.000) 0.000 2.461 ( 0.000 0.000 0.000) 0.000 2.549 ( 0.000 0.000 0.000) 0.000 2.695 ( 0.000 0.000 0.000) 0.000 2.774 ( 0.000 0.000 0.000) 0.000 2.827 ( 0.000 0.000 0.000) 0.000 2.883 ( 0.000 0.000 0.000) 0.000 3.003 ( 0.000 0.000 0.000) 0.000 3.016 ( 0.000 0.000 -0.000) 0.000 3.043 ( -0.000 0.000 0.000) 0.000 3.082 ( 0.000 0.000 0.000) 0.000 3.279 ( 0.000 0.000 0.000) 0.000 3.286 ( 0.000 0.000 0.000) 0.000 3.350 ( -0.000 0.000 0.000) 0.000 3.379 ( -0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.693 ( -0.000 0.000 0.000) 0.000 3.846 ( 0.000 0.000 0.000) 0.000 4.028 ( 0.000 0.000 0.000) 0.000 4.044 ( 0.000 0.000 0.000) 0.000 4.046 ( -0.000 0.000 -0.000) 0.000 4.178 ( 0.000 0.000 0.000) 0.000 4.185 ( 0.000 0.000 0.000) 0.000 4.457 ( -0.000 0.000 0.000) 0.000 4.509 ( 0.000 0.000 0.000) 0.000 4.516 ( 0.000 0.000 0.000) 0.000 4.561 ( -0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.105 ( 0.000 0.000 0.000) 0.000 5.195 ( 0.000 0.000 0.000) 0.000 5.564 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.631 ( 0.000 0.000 0.000) 0.000 5.634 ( 0.000 0.000 0.000) 0.000 6.275 ( -0.000 0.000 0.000) 0.000 6.286 ( 0.000 0.000 0.000) 0.000 6.409 ( 0.000 0.000 0.000) 0.000 6.412 ( 0.000 0.000 0.000) 0.000 6.524 ( 0.000 0.000 0.000) 0.000 6.571 ( 0.000 0.000 0.000) 0.000 7.043 ( 0.000 0.000 0.000) 0.000 7.143 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.693 ( -0.000 0.000 0.000) 0.000 7.769 ( 0.000 0.000 0.000) 0.000 8.328 ( -0.000 0.000 0.000) 0.000 8.344 ( -0.000 0.000 0.000) 0.000 8.349 ( 0.000 0.000 0.000) 0.000 8.401 ( 0.000 0.000 0.000) 0.000 11.573 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.640 ( 0.000 0.000 0.000) 0.000 11.644 ( 0.000 0.000 0.000) 0.000 14.851 ( 0.000 0.000 0.000) 0.000 14.864 ( 0.000 0.000 0.000) 0.000 15.064 ( 0.000 0.000 0.000) 0.000 15.067 ( 0.000 0.000 0.000) 0.000 15.248 ( -0.000 0.000 0.000) 0.000 15.265 ( -0.000 0.000 0.000) 0.000 15.270 ( 0.000 0.000 0.000) 0.000 15.274 ( 0.000 0.000 0.000) 0.000 16.204 ( 0.000 0.000 0.000) 0.000 16.501 ( -0.000 0.000 -0.000) 0.000 16.647 ( 0.000 0.000 0.000) 0.000 17.042 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 9 (6/65) ======================= q-point: ( 0.00 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.287 ( 0.000 16.179 0.000) 16.179 0.371 ( 0.000 19.557 0.000) 19.557 0.645 ( 0.000 32.185 0.000) 32.185 0.783 ( 0.000 7.003 0.000) 7.003 0.832 ( 0.000 19.556 0.000) 19.556 1.142 ( 0.000 -6.823 0.000) 6.823 1.570 ( 0.000 -1.141 0.000) 1.141 1.580 ( 0.000 -1.819 0.000) 1.819 1.677 ( 0.000 0.573 0.000) 0.573 1.690 ( 0.000 -0.420 0.000) 0.420 1.752 ( 0.000 1.062 0.000) 1.062 1.872 ( 0.000 -1.675 0.000) 1.675 1.915 ( 0.000 11.118 0.000) 11.118 1.933 ( 0.000 3.147 0.000) 3.147 2.140 ( 0.000 -1.107 0.000) 1.107 2.160 ( 0.000 1.183 0.000) 1.183 2.224 ( 0.000 -1.040 0.000) 1.040 2.236 ( 0.000 4.611 0.000) 4.611 2.353 ( 0.000 3.192 0.000) 3.192 2.462 ( 0.000 -0.645 0.000) 0.645 2.772 ( 0.000 24.325 0.000) 24.325 2.840 ( 0.000 2.455 0.000) 2.455 2.861 ( 0.000 2.378 0.000) 2.378 2.898 ( 0.000 0.578 0.000) 0.578 2.909 ( 0.000 0.546 0.000) 0.546 3.105 ( 0.000 0.559 0.000) 0.559 3.176 ( 0.000 -0.888 0.000) 0.888 3.362 ( 0.000 -4.858 0.000) 4.858 3.449 ( 0.000 -2.608 0.000) 2.608 3.466 ( 0.000 -2.519 0.000) 2.519 3.523 ( 0.000 -4.758 0.000) 4.758 3.682 ( 0.000 3.910 0.000) 3.910 3.690 ( 0.000 -6.235 0.000) 6.235 3.783 ( 0.000 0.466 0.000) 0.466 3.870 ( 0.000 -6.360 0.000) 6.360 3.893 ( 0.000 6.712 0.000) 6.712 4.037 ( 0.000 -2.938 0.000) 2.938 4.042 ( 0.000 -0.713 0.000) 0.713 4.056 ( 0.000 -0.461 0.000) 0.461 4.226 ( 0.000 0.650 0.000) 0.650 4.280 ( 0.000 -1.800 0.000) 1.800 4.334 ( 0.000 3.624 0.000) 3.624 4.527 ( 0.000 -1.146 0.000) 1.146 4.549 ( 0.000 -0.757 0.000) 0.757 4.682 ( 0.000 4.151 0.000) 4.151 4.919 ( 0.000 3.162 0.000) 3.162 5.083 ( 0.000 -2.004 0.000) 2.004 5.159 ( 0.000 -2.855 0.000) 2.855 5.508 ( 0.000 5.164 0.000) 5.164 5.523 ( 0.000 5.240 0.000) 5.240 5.962 ( 0.000 0.117 0.000) 0.117 5.999 ( 0.000 1.001 0.000) 1.001 6.312 ( 0.000 3.698 0.000) 3.698 6.445 ( 0.000 0.856 0.000) 0.856 6.526 ( 0.000 0.218 0.000) 0.218 6.555 ( 0.000 1.348 0.000) 1.348 7.113 ( 0.000 1.346 0.000) 1.346 7.252 ( 0.000 -1.268 0.000) 1.268 7.264 ( 0.000 -3.244 0.000) 3.244 7.275 ( 0.000 -0.175 0.000) 0.175 7.372 ( 0.000 0.135 0.000) 0.135 7.476 ( 0.000 0.580 0.000) 0.580 7.520 ( 0.000 0.921 0.000) 0.921 7.640 ( 0.000 -1.776 0.000) 1.776 7.930 ( 0.000 -3.938 0.000) 3.938 7.952 ( 0.000 -1.297 0.000) 1.297 8.000 ( 0.000 -2.538 0.000) 2.538 8.006 ( 0.000 -1.422 0.000) 1.422 11.580 ( 0.000 -0.931 0.000) 0.931 11.587 ( 0.000 -0.933 0.000) 0.933 11.643 ( 0.000 -1.362 0.000) 1.362 11.646 ( 0.000 -1.307 0.000) 1.307 14.973 ( 0.000 0.043 0.000) 0.043 15.021 ( 0.000 -0.503 0.000) 0.503 15.036 ( 0.000 0.358 0.000) 0.358 15.055 ( 0.000 -1.700 0.000) 1.700 15.223 ( 0.000 3.512 0.000) 3.512 15.236 ( 0.000 8.119 0.000) 8.119 15.310 ( 0.000 4.595 0.000) 4.595 15.681 ( 0.000 -1.249 0.000) 1.249 16.132 ( 0.000 -1.905 0.000) 1.905 16.188 ( 0.000 -1.145 0.000) 1.145 16.226 ( 0.000 -2.860 0.000) 2.860 16.268 ( 0.000 -1.034 0.000) 1.034 ======================= Grid point 10 (7/65) ======================= q-point: ( 0.12 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 12.461 8.351 8.722) 17.351 0.594 ( 12.721 17.011 -0.153) 21.242 0.826 ( 5.317 13.530 -0.379) 14.542 0.933 ( 26.647 13.804 -1.328) 30.039 0.990 ( 11.905 5.507 -5.175) 14.101 1.095 ( -0.124 0.654 4.197) 4.249 1.553 ( -1.276 -1.177 -0.027) 1.736 1.566 ( -1.352 -0.848 0.208) 1.610 1.660 ( -0.018 -0.333 2.823) 2.843 1.730 ( -0.753 -2.563 -2.706) 3.802 1.784 ( 5.162 -0.393 -2.957) 5.962 1.886 ( 0.829 -0.593 2.798) 2.978 1.930 ( 1.375 8.016 -1.636) 8.296 1.971 ( 2.467 3.810 0.756) 4.602 2.143 ( -0.676 2.102 0.362) 2.238 2.171 ( 1.305 -1.140 1.175) 2.094 2.213 ( -1.936 4.731 -2.702) 5.782 2.266 ( 2.441 0.849 1.081) 2.801 2.361 ( 1.220 0.670 2.415) 2.787 2.438 ( -1.084 0.100 -2.704) 2.915 2.751 ( -0.963 16.811 -0.300) 16.841 2.835 ( -0.637 3.793 -0.412) 3.868 2.866 ( 0.736 2.614 0.177) 2.721 2.881 ( -3.181 3.900 0.109) 5.033 2.890 ( -1.944 1.690 0.307) 2.594 2.967 ( -8.247 12.390 -0.499) 14.892 3.123 ( -1.275 5.689 0.229) 5.834 3.183 ( -0.322 -0.572 -1.079) 1.263 3.381 ( -2.850 -3.873 1.378) 5.002 3.412 ( -0.719 -2.175 -0.756) 2.412 3.500 ( -5.072 0.425 -1.725) 5.374 3.573 ( -2.112 -3.577 0.814) 4.233 3.739 ( 0.602 0.971 2.021) 2.322 3.780 ( 1.049 -1.119 -0.958) 1.808 3.911 ( -1.486 -2.680 -6.231) 6.944 3.947 ( -4.491 -1.433 2.674) 5.419 4.032 ( 2.359 -4.919 1.462) 5.648 4.069 ( 4.480 1.171 -3.390) 5.739 4.104 ( 1.371 -1.526 -1.020) 2.291 4.201 ( -1.249 2.465 0.763) 2.866 4.245 ( -0.548 -4.378 -0.218) 4.418 4.389 ( 2.084 1.331 0.696) 2.569 4.559 ( 1.672 -0.020 5.158) 5.422 4.679 ( 7.459 -1.434 -0.164) 7.597 4.780 ( 2.994 1.318 4.537) 5.593 4.839 ( -1.592 1.355 -5.415) 5.805 5.083 ( -3.738 -2.413 -1.486) 4.691 5.286 ( 6.021 -8.552 -0.526) 10.472 5.544 ( 3.064 5.356 0.343) 6.180 5.547 ( 2.629 5.914 -0.587) 6.498 5.936 ( -3.896 1.036 1.212) 4.210 5.962 ( -3.872 2.002 -0.536) 4.392 6.310 ( -0.080 2.252 0.362) 2.283 6.336 ( -3.630 3.656 -0.349) 5.164 6.500 ( -3.031 1.088 -0.141) 3.223 6.537 ( -3.358 1.845 -0.004) 3.831 6.883 ( -12.848 0.416 0.545) 12.866 6.951 ( -13.263 -0.187 -1.287) 13.327 7.108 ( -9.077 -2.356 -0.298) 9.383 7.236 ( -7.165 -1.123 1.008) 7.322 7.539 ( 6.232 -1.492 -0.930) 6.475 7.604 ( 6.420 -2.163 -0.602) 6.801 7.715 ( 7.593 -4.431 1.843) 8.983 7.833 ( 1.669 -5.332 -2.052) 5.952 7.927 ( 7.580 -1.098 1.462) 7.798 7.962 ( 6.500 -0.307 -2.925) 7.135 8.098 ( 8.206 -2.893 0.010) 8.701 8.208 ( 11.087 -7.462 0.633) 13.379 11.575 ( -0.427 -0.891 0.167) 1.002 11.582 ( -0.428 -0.935 -0.143) 1.038 11.645 ( -0.114 -1.336 0.064) 1.343 11.655 ( 0.457 -1.877 -0.046) 1.933 14.948 ( -2.388 0.107 0.901) 2.554 14.997 ( -2.542 -0.772 -0.708) 2.749 15.044 ( 0.914 0.087 -0.525) 1.057 15.056 ( 0.093 -0.983 0.597) 1.154 15.215 ( 0.051 4.920 -0.040) 4.921 15.237 ( -1.382 7.284 0.465) 7.428 15.276 ( -0.041 4.195 -1.087) 4.334 15.431 ( -8.381 9.710 1.137) 12.877 16.095 ( -0.079 -0.698 -0.848) 1.101 16.184 ( 3.395 -1.530 3.076) 4.830 16.479 ( 14.801 -7.585 3.834) 17.068 16.600 ( 14.823 -13.342 -11.306) 22.925 ======================= Grid point 11 (8/65) ======================= q-point: ( 0.25 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.782 ( 13.371 4.295 5.962) 15.257 0.868 ( 14.481 8.836 0.450) 16.969 0.927 ( 4.541 1.136 -2.603) 5.356 1.026 ( 6.079 6.333 -4.577) 9.900 1.291 ( 8.967 4.951 1.876) 10.413 1.432 ( 16.669 5.186 -0.644) 17.469 1.513 ( -3.333 -0.093 -1.052) 3.496 1.534 ( 0.291 0.916 0.419) 1.049 1.658 ( -3.920 -0.406 0.331) 3.955 1.680 ( -2.012 -2.829 0.747) 3.551 1.825 ( 2.313 2.542 -0.677) 3.503 1.929 ( -0.655 2.734 0.035) 2.811 1.958 ( 5.576 2.598 1.099) 6.249 2.046 ( 2.756 0.377 1.327) 3.082 2.130 ( -3.370 3.395 -0.359) 4.797 2.158 ( 2.001 2.962 -1.618) 3.924 2.192 ( -0.047 0.499 1.155) 1.259 2.294 ( -0.078 3.125 -0.535) 3.171 2.388 ( 2.094 -2.400 -2.652) 4.145 2.459 ( 2.979 1.218 1.945) 3.760 2.751 ( 0.712 7.961 -0.769) 8.030 2.794 ( -1.798 4.614 0.402) 4.968 2.854 ( 0.642 1.667 -1.193) 2.148 2.882 ( 1.613 1.612 0.587) 2.355 2.908 ( 1.958 2.666 0.881) 3.423 2.954 ( 2.372 4.782 0.256) 5.345 3.113 ( -1.393 3.132 1.174) 3.623 3.150 ( -1.462 0.685 -0.663) 1.746 3.313 ( -3.762 -3.492 2.023) 5.517 3.392 ( -3.004 0.098 0.049) 3.006 3.427 ( -1.144 0.002 -1.171) 1.637 3.494 ( -5.005 2.451 -0.895) 5.645 3.748 ( -3.756 2.265 -0.827) 4.463 3.769 ( -1.875 3.079 -0.927) 3.722 3.820 ( -1.248 -3.764 0.296) 3.977 3.900 ( 0.066 -2.874 0.288) 2.889 4.048 ( -0.769 -4.747 -2.436) 5.390 4.066 ( 0.063 -3.287 1.495) 3.611 4.151 ( 2.939 0.323 -1.099) 3.154 4.230 ( -1.070 -1.032 2.056) 2.538 4.267 ( 4.964 -0.896 -1.366) 5.226 4.400 ( -1.102 -0.123 0.227) 1.132 4.679 ( 4.085 0.101 2.446) 4.762 4.724 ( -3.416 1.869 -2.067) 4.409 4.798 ( 3.106 0.943 -0.525) 3.288 4.822 ( -0.260 -1.707 1.463) 2.263 5.069 ( 2.298 -0.095 2.980) 3.764 5.295 ( -1.785 -4.135 -3.802) 5.894 5.594 ( 2.180 6.645 -0.643) 7.023 5.611 ( 2.672 6.311 0.621) 6.881 5.835 ( -6.094 2.758 0.850) 6.742 5.850 ( -6.470 3.061 -0.425) 7.170 6.306 ( -1.173 -0.272 0.459) 1.289 6.309 ( -0.540 0.507 -0.408) 0.845 6.434 ( -2.768 0.822 0.232) 2.897 6.459 ( -3.503 1.103 -0.175) 3.676 6.688 ( -8.064 -0.371 1.897) 8.293 6.716 ( -9.327 -0.219 -1.982) 9.537 6.996 ( -2.013 -2.945 -1.194) 3.762 7.134 ( -3.766 -1.754 0.928) 4.256 7.563 ( -4.406 -1.574 -1.745) 4.993 7.619 ( 0.391 -2.446 3.608) 4.376 7.751 ( -3.761 -3.247 -4.173) 6.489 7.822 ( 0.562 -3.983 1.868) 4.435 8.120 ( 8.069 -1.917 1.146) 8.373 8.136 ( 8.572 -1.375 -0.845) 8.723 8.251 ( 7.301 -1.775 0.474) 7.529 8.348 ( 4.085 -4.568 -0.853) 6.187 11.570 ( -0.223 -0.912 0.318) 0.991 11.571 ( -0.464 -0.956 -0.244) 1.090 11.641 ( -0.419 -1.387 0.089) 1.452 11.653 ( -0.486 -1.556 -0.198) 1.642 14.904 ( -2.406 0.381 0.533) 2.493 14.936 ( -2.911 0.253 -0.461) 2.958 15.052 ( 0.200 -0.618 -0.592) 0.879 15.066 ( 0.357 -0.324 0.536) 0.721 15.228 ( 1.294 4.791 0.036) 4.963 15.238 ( 1.533 4.520 -0.001) 4.773 15.290 ( 1.018 3.637 -0.016) 3.777 15.351 ( -1.911 6.011 -0.061) 6.308 16.130 ( 3.349 -0.644 -1.577) 3.757 16.292 ( 4.469 -1.983 5.554) 7.400 16.665 ( 4.827 -9.129 -11.357) 15.350 16.777 ( 8.466 -6.957 6.250) 12.615 ======================= Grid point 12 (9/65) ======================= q-point: ( 0.38 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.993 ( 7.691 3.793 -4.127) 9.517 1.072 ( 11.902 3.412 2.148) 12.566 1.124 ( 10.918 3.321 0.875) 11.446 1.167 ( 7.722 2.826 -1.645) 8.385 1.306 ( -6.135 3.118 -0.912) 6.942 1.446 ( -3.577 0.981 1.157) 3.886 1.504 ( -3.252 1.833 -0.819) 3.822 1.510 ( -3.919 2.576 -0.298) 4.699 1.608 ( -2.204 -0.191 1.243) 2.538 1.706 ( 3.702 0.651 0.447) 3.785 1.890 ( 2.515 0.782 2.025) 3.322 1.927 ( 1.130 1.691 -0.625) 2.128 2.016 ( -3.362 1.381 -0.474) 3.665 2.046 ( -3.067 2.534 -0.656) 4.032 2.153 ( 1.467 1.102 1.489) 2.363 2.156 ( 6.159 1.833 -1.265) 6.549 2.218 ( -0.218 -1.256 1.532) 1.993 2.329 ( 5.654 5.070 -0.475) 7.609 2.449 ( 1.715 -2.291 -0.388) 2.888 2.499 ( 2.232 0.905 -0.324) 2.431 2.740 ( -0.827 3.662 -0.890) 3.858 2.785 ( -0.140 2.147 0.948) 2.351 2.854 ( 0.116 0.911 -1.314) 1.603 2.920 ( -0.128 2.164 0.960) 2.371 2.967 ( 4.297 1.958 0.714) 4.775 2.998 ( 1.108 2.058 -0.047) 2.338 3.067 ( -2.253 0.077 -0.288) 2.273 3.136 ( -0.855 3.535 -0.518) 3.674 3.288 ( 0.312 -0.216 -0.541) 0.661 3.344 ( -4.060 0.967 0.602) 4.217 3.377 ( 0.074 2.683 3.246) 4.212 3.426 ( -2.520 1.721 -1.660) 3.474 3.629 ( -5.930 0.927 0.682) 6.040 3.689 ( -2.303 1.273 -2.830) 3.865 3.889 ( 1.572 -2.064 -0.005) 2.594 3.918 ( 3.216 -1.568 0.421) 3.602 4.050 ( -2.248 -1.245 1.016) 2.763 4.058 ( 1.516 -4.502 -0.987) 4.852 4.175 ( -1.206 -1.731 -0.558) 2.182 4.184 ( -1.322 0.870 1.226) 2.002 4.387 ( 6.157 -1.396 -0.376) 6.324 4.405 ( 2.369 -1.480 0.105) 2.795 4.595 ( -5.505 -0.141 -1.093) 5.614 4.648 ( -5.450 1.775 0.723) 5.777 4.884 ( 5.193 0.322 -0.013) 5.203 4.913 ( 4.607 -0.165 -0.002) 4.610 5.119 ( 0.039 0.363 2.573) 2.599 5.221 ( -2.961 -2.171 -2.483) 4.432 5.614 ( 0.809 7.103 -0.138) 7.150 5.646 ( 1.181 6.434 0.283) 6.547 5.738 ( -4.023 4.089 -0.258) 5.742 5.751 ( -3.665 4.906 0.270) 6.129 6.266 ( -2.446 -2.718 -0.054) 3.656 6.280 ( -1.867 -2.101 0.025) 2.811 6.414 ( -0.040 0.672 0.159) 0.692 6.420 ( -0.589 0.803 -0.078) 0.999 6.568 ( -4.080 0.190 -1.705) 4.426 6.602 ( -3.101 0.736 1.898) 3.709 6.995 ( 1.910 -2.775 -1.435) 3.662 7.098 ( -0.945 -3.644 1.142) 3.934 7.478 ( -2.972 -0.839 -0.808) 3.192 7.593 ( -3.590 -1.709 1.896) 4.405 7.689 ( -0.898 -2.333 -1.933) 3.160 7.794 ( -3.146 -2.313 0.658) 3.960 8.244 ( 4.692 -2.253 0.379) 5.219 8.256 ( 4.561 -1.903 -0.248) 4.949 8.341 ( 1.144 -2.683 0.909) 3.055 8.380 ( 0.248 -3.389 -0.808) 3.493 11.564 ( -0.143 -1.028 -0.197) 1.056 11.571 ( 0.106 -1.054 0.277) 1.095 11.632 ( -0.512 -1.402 0.052) 1.494 11.639 ( -0.676 -1.387 -0.166) 1.552 14.868 ( -1.369 0.472 0.070) 1.450 14.890 ( -1.573 0.865 -0.036) 1.796 15.048 ( -0.108 -1.026 -0.389) 1.103 15.073 ( 0.151 -0.028 0.332) 0.365 15.262 ( 1.848 3.913 -0.034) 4.327 15.275 ( 1.959 3.802 0.035) 4.277 15.305 ( 0.344 3.449 0.149) 3.470 15.327 ( -0.778 4.464 -0.167) 4.534 16.180 ( 2.301 -0.461 -1.085) 2.585 16.407 ( 3.265 -2.486 6.444) 7.640 16.645 ( 0.751 -5.102 -9.566) 10.867 16.928 ( 3.648 -7.067 4.082) 8.939 ======================= Grid point 13 (10/65) ======================= q-point: (-0.50 0.12 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.130 ( -0.000 3.776 0.000) 3.776 1.151 ( 0.000 4.961 0.000) 4.961 1.234 ( 0.000 1.393 0.000) 1.393 1.266 ( 0.000 2.648 0.000) 2.648 1.295 ( 0.000 2.126 0.000) 2.126 1.320 ( -0.000 4.971 -0.000) 4.971 1.426 ( -0.000 -0.688 -0.000) 0.688 1.491 ( 0.000 -0.586 0.000) 0.586 1.592 ( 0.000 3.801 0.000) 3.801 1.745 ( 0.000 -0.440 -0.000) 0.440 1.933 ( 0.000 2.324 -0.000) 2.324 1.937 ( -0.000 -1.023 0.000) 1.023 1.973 ( 0.000 1.082 0.000) 1.082 1.996 ( 0.000 2.147 0.000) 2.147 2.125 ( -0.000 -1.619 0.000) 1.619 2.216 ( 0.000 -2.152 -0.000) 2.152 2.282 ( -0.000 6.705 0.000) 6.705 2.406 ( -0.000 4.329 -0.000) 4.329 2.424 ( 0.000 -2.594 0.000) 2.594 2.541 ( 0.000 -0.303 -0.000) 0.303 2.728 ( 0.000 3.102 0.000) 3.102 2.790 ( 0.000 1.392 0.000) 1.392 2.844 ( 0.000 1.321 0.000) 1.321 2.912 ( 0.000 2.330 0.000) 2.330 2.993 ( 0.000 -0.089 0.000) 0.089 3.039 ( -0.000 0.142 0.000) 0.142 3.055 ( 0.000 3.549 -0.000) 3.549 3.099 ( 0.000 1.153 0.000) 1.153 3.304 ( -0.000 1.795 0.000) 1.795 3.322 ( 0.000 3.603 -0.000) 3.603 3.351 ( -0.000 0.896 0.000) 0.896 3.410 ( -0.000 3.274 0.000) 3.274 3.568 ( -0.000 -0.288 -0.000) 0.288 3.679 ( 0.000 -1.583 0.000) 1.583 3.854 ( -0.000 1.018 0.000) 1.018 4.012 ( 0.000 -3.574 -0.000) 3.574 4.018 ( -0.000 -0.606 0.000) 0.606 4.044 ( -0.000 0.099 0.000) 0.099 4.153 ( 0.000 -5.228 0.000) 5.228 4.188 ( 0.000 -0.539 0.000) 0.539 4.441 ( 0.000 -0.654 0.000) 0.654 4.475 ( 0.000 -2.409 0.000) 2.409 4.523 ( 0.000 1.362 0.000) 1.362 4.582 ( 0.000 2.756 0.000) 2.756 4.933 ( 0.000 -0.617 0.000) 0.617 4.964 ( 0.000 -0.094 0.000) 0.094 5.118 ( 0.000 0.650 0.000) 0.650 5.179 ( 0.000 -1.990 0.000) 1.990 5.644 ( 0.000 7.391 0.000) 7.391 5.675 ( 0.000 4.518 0.000) 4.518 5.686 ( 0.000 4.890 0.000) 4.890 5.689 ( -0.000 7.431 0.000) 7.431 6.239 ( 0.000 -3.509 0.000) 3.509 6.260 ( 0.000 -3.210 0.000) 3.210 6.415 ( 0.000 0.641 -0.000) 0.641 6.419 ( 0.000 0.668 0.000) 0.668 6.523 ( 0.000 0.425 0.000) 0.425 6.581 ( 0.000 1.378 0.000) 1.378 7.016 ( 0.000 -2.872 -0.000) 2.872 7.096 ( 0.000 -4.732 0.000) 4.732 7.446 ( 0.000 -0.460 0.000) 0.460 7.559 ( -0.000 -1.163 0.000) 1.163 7.673 ( 0.000 -1.954 -0.000) 1.954 7.756 ( 0.000 -1.466 0.000) 1.466 8.299 ( 0.000 -2.860 0.000) 2.860 8.320 ( 0.000 -2.474 0.000) 2.474 8.326 ( -0.000 -2.333 0.000) 2.333 8.372 ( 0.000 -3.072 0.000) 3.072 11.562 ( 0.000 -1.089 0.000) 1.089 11.574 ( 0.000 -1.141 0.000) 1.141 11.626 ( 0.000 -1.420 0.000) 1.420 11.631 ( 0.000 -1.304 0.000) 1.304 14.854 ( 0.000 0.455 0.000) 0.455 14.875 ( 0.000 1.039 0.000) 1.039 15.046 ( 0.000 -1.228 0.000) 1.228 15.076 ( 0.000 0.077 0.000) 0.077 15.285 ( -0.000 3.654 0.000) 3.654 15.304 ( -0.000 3.810 0.000) 3.810 15.305 ( 0.000 3.475 -0.000) 3.475 15.313 ( -0.000 3.961 0.000) 3.961 16.199 ( 0.000 -0.349 -0.000) 0.349 16.470 ( 0.000 -3.016 0.000) 3.016 16.611 ( 0.000 -3.585 0.000) 3.585 16.975 ( 0.000 -6.818 0.000) 6.818 ======================= Grid point 18 (11/65) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.604 ( 0.000 17.125 0.000) 17.125 0.731 ( 0.000 18.595 0.000) 18.595 0.956 ( 0.000 10.701 0.000) 10.701 1.072 ( 0.000 0.380 0.000) 0.380 1.122 ( 0.000 16.897 0.000) 16.897 1.203 ( 0.000 17.569 0.000) 17.569 1.534 ( 0.000 -2.750 0.000) 2.750 1.552 ( 0.000 -0.565 0.000) 0.565 1.676 ( 0.000 -1.489 0.000) 1.489 1.701 ( 0.000 1.524 0.000) 1.524 1.773 ( 0.000 0.846 0.000) 0.846 1.810 ( 0.000 -4.701 0.000) 4.701 2.001 ( 0.000 4.455 0.000) 4.455 2.063 ( 0.000 3.463 0.000) 3.463 2.113 ( 0.000 -1.226 0.000) 1.226 2.209 ( 0.000 -0.244 0.000) 0.244 2.231 ( 0.000 6.559 0.000) 6.559 2.299 ( 0.000 1.038 0.000) 1.038 2.384 ( 0.000 0.965 0.000) 0.965 2.448 ( 0.000 -0.788 0.000) 0.788 2.889 ( 0.000 2.405 0.000) 2.405 2.889 ( 0.000 -0.297 0.000) 0.297 2.910 ( 0.000 0.685 0.000) 0.685 2.922 ( 0.000 3.892 0.000) 3.892 3.052 ( 0.000 -0.079 0.000) 0.079 3.166 ( 0.000 0.050 0.000) 0.050 3.274 ( 0.000 14.427 0.000) 14.427 3.280 ( 0.000 -3.617 0.000) 3.617 3.359 ( 0.000 -5.955 0.000) 5.955 3.402 ( 0.000 -4.153 0.000) 4.153 3.406 ( 0.000 -6.939 0.000) 6.939 3.555 ( 0.000 -6.631 0.000) 6.631 3.748 ( 0.000 2.179 0.000) 2.179 3.760 ( 0.000 -4.228 0.000) 4.228 3.787 ( 0.000 -1.358 0.000) 1.358 3.926 ( 0.000 -1.782 0.000) 1.782 3.973 ( 0.000 -2.169 0.000) 2.169 4.058 ( 0.000 0.233 0.000) 0.233 4.105 ( 0.000 4.119 0.000) 4.119 4.195 ( 0.000 -2.470 0.000) 2.470 4.317 ( 0.000 6.617 0.000) 6.617 4.445 ( 0.000 8.185 0.000) 8.185 4.564 ( 0.000 4.465 0.000) 4.465 4.576 ( 0.000 4.827 0.000) 4.827 4.774 ( 0.000 5.324 0.000) 5.324 4.980 ( 0.000 2.664 0.000) 2.664 5.024 ( 0.000 -4.075 0.000) 4.075 5.093 ( 0.000 -3.833 0.000) 3.833 5.630 ( 0.000 7.414 0.000) 7.414 5.642 ( 0.000 7.070 0.000) 7.070 5.968 ( 0.000 0.317 0.000) 0.317 6.005 ( 0.000 -0.588 0.000) 0.588 6.390 ( 0.000 4.160 0.000) 4.160 6.469 ( 0.000 1.594 0.000) 1.594 6.533 ( 0.000 0.337 0.000) 0.337 6.572 ( 0.000 0.307 0.000) 0.307 7.147 ( 0.000 1.884 0.000) 1.884 7.207 ( 0.000 -2.479 0.000) 2.479 7.223 ( 0.000 -1.712 0.000) 1.712 7.261 ( 0.000 -1.362 0.000) 1.362 7.358 ( 0.000 -0.935 0.000) 0.935 7.487 ( 0.000 0.195 0.000) 0.195 7.533 ( 0.000 0.086 0.000) 0.086 7.601 ( 0.000 -2.154 0.000) 2.154 7.852 ( 0.000 -3.591 0.000) 3.591 7.919 ( 0.000 -2.138 0.000) 2.138 7.928 ( 0.000 -4.711 0.000) 4.711 7.967 ( 0.000 -2.627 0.000) 2.627 11.559 ( 0.000 -1.170 0.000) 1.170 11.564 ( 0.000 -1.299 0.000) 1.299 11.608 ( 0.000 -2.185 0.000) 2.185 11.613 ( 0.000 -2.077 0.000) 2.077 14.977 ( 0.000 0.506 0.000) 0.506 15.015 ( 0.000 -0.203 0.000) 0.203 15.039 ( 0.000 -0.004 0.000) 0.004 15.048 ( 0.000 0.737 0.000) 0.737 15.305 ( 0.000 4.995 0.000) 4.995 15.383 ( 0.000 6.512 0.000) 6.512 15.391 ( 0.000 3.736 0.000) 3.736 15.644 ( 0.000 -2.667 0.000) 2.667 16.090 ( 0.000 -2.273 0.000) 2.273 16.164 ( 0.000 -3.482 0.000) 3.482 16.164 ( 0.000 -1.208 0.000) 1.208 16.236 ( 0.000 -2.225 0.000) 2.225 ======================= Grid point 19 (12/65) ======================= q-point: ( 0.12 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.684 ( 6.347 12.826 4.663) 15.051 0.871 ( 9.039 13.081 -2.598) 16.111 1.009 ( -1.998 5.283 -2.700) 6.260 1.059 ( 6.882 7.482 -0.963) 10.211 1.229 ( 9.917 13.292 3.602) 16.970 1.298 ( 10.589 14.072 -0.162) 17.612 1.526 ( -0.676 -1.974 -0.213) 2.098 1.550 ( -0.281 -0.350 -0.087) 0.457 1.676 ( 0.159 1.036 2.399) 2.618 1.715 ( -3.187 0.254 -1.893) 3.716 1.767 ( 4.872 -1.565 -1.728) 5.401 1.847 ( 2.983 -3.235 1.221) 4.567 2.021 ( -0.170 0.854 0.186) 0.890 2.038 ( 0.431 5.054 -0.408) 5.089 2.142 ( 0.486 -0.568 -0.233) 0.783 2.196 ( 1.133 1.282 1.825) 2.502 2.291 ( 0.007 2.706 -2.525) 3.701 2.320 ( 4.756 5.224 1.715) 7.270 2.337 ( -3.355 -1.883 -0.136) 3.849 2.458 ( 1.015 1.501 -0.390) 1.854 2.856 ( -2.236 2.225 -0.200) 3.161 2.870 ( -1.485 -0.505 -0.196) 1.581 2.899 ( -1.577 1.403 0.274) 2.128 2.924 ( -0.026 2.504 0.343) 2.528 3.004 ( -3.327 1.710 0.945) 3.859 3.136 ( -2.051 3.454 -4.224) 5.829 3.221 ( -5.935 7.424 3.098) 9.997 3.296 ( -2.336 -2.237 0.701) 3.310 3.317 ( -2.153 5.566 -0.158) 5.970 3.348 ( 0.905 -3.761 -0.937) 3.980 3.436 ( -0.577 -7.847 -0.108) 7.869 3.507 ( -1.295 0.168 -0.784) 1.523 3.703 ( 3.203 -4.417 1.306) 5.610 3.732 ( -1.457 -3.525 -1.485) 4.093 3.850 ( 0.327 -4.606 -0.458) 4.640 3.944 ( -2.076 -2.005 -1.747) 3.374 3.981 ( -1.167 -0.054 2.243) 2.529 4.081 ( -2.101 1.081 -0.105) 2.365 4.087 ( 1.823 0.211 -1.315) 2.258 4.155 ( -2.820 -1.887 2.730) 4.355 4.329 ( 2.607 8.903 -3.715) 9.993 4.453 ( 1.214 6.408 0.793) 6.570 4.615 ( 3.784 5.912 3.502) 7.844 4.682 ( 8.188 1.880 -1.394) 8.516 4.813 ( 1.129 2.770 3.529) 4.626 4.891 ( -3.820 3.381 -3.185) 6.014 5.026 ( -1.315 -3.508 -0.527) 3.783 5.158 ( 4.496 -5.785 -0.247) 7.331 5.669 ( 3.541 7.438 0.121) 8.238 5.674 ( 3.222 7.222 -0.161) 7.910 5.957 ( -1.940 1.086 0.966) 2.424 5.991 ( -1.872 0.767 -0.508) 2.085 6.360 ( -2.762 2.862 0.139) 3.980 6.396 ( -4.702 2.932 0.103) 5.543 6.519 ( -2.485 0.410 -0.377) 2.547 6.554 ( -2.965 -0.116 0.214) 2.975 6.899 ( -14.363 1.276 0.090) 14.419 6.944 ( -14.410 -0.193 -0.146) 14.412 7.074 ( -10.638 -1.630 -0.221) 10.764 7.188 ( -7.748 -3.972 0.834) 8.747 7.510 ( 4.750 -1.569 -1.380) 5.190 7.549 ( 5.597 -2.679 0.185) 6.208 7.639 ( 4.510 -3.576 0.026) 5.756 7.742 ( 1.827 -4.529 -0.010) 4.884 7.897 ( 8.301 -1.578 0.893) 8.497 7.943 ( 6.873 -1.427 -1.174) 7.117 8.039 ( 9.325 -3.112 0.991) 9.881 8.102 ( 9.117 -4.877 -0.719) 10.365 11.555 ( -0.363 -1.118 0.147) 1.185 11.560 ( -0.411 -1.263 -0.130) 1.334 11.612 ( -0.160 -2.138 0.025) 2.145 11.614 ( 0.349 -2.378 0.006) 2.404 14.957 ( -1.934 0.838 0.477) 2.161 14.992 ( -1.870 0.154 -0.610) 1.973 15.045 ( 0.178 -0.255 0.882) 0.936 15.048 ( 0.077 0.237 -0.691) 0.734 15.311 ( 0.550 5.265 0.096) 5.295 15.362 ( -1.822 4.890 -0.752) 5.272 15.377 ( -0.606 6.052 0.648) 6.116 15.546 ( -6.387 2.653 0.052) 6.916 16.084 ( 0.498 -0.216 -0.464) 0.714 16.151 ( 3.058 -1.670 1.771) 3.909 16.318 ( 11.570 -7.695 -1.287) 13.955 16.417 ( 11.118 -7.819 -0.848) 13.619 ======================= Grid point 20 (13/65) ======================= q-point: ( 0.25 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 10.851 6.853 4.803) 13.703 0.965 ( 5.866 5.524 -4.853) 9.406 1.048 ( 5.412 7.651 1.529) 9.496 1.149 ( 4.418 5.436 -2.040) 7.296 1.426 ( 3.300 7.943 0.669) 8.627 1.493 ( 3.201 0.711 0.979) 3.422 1.540 ( -0.414 0.229 -0.279) 0.549 1.554 ( 5.947 2.887 -1.255) 6.729 1.636 ( -2.648 0.185 -1.520) 3.059 1.697 ( 0.585 2.145 2.506) 3.350 1.846 ( 3.553 -0.295 -1.853) 4.018 1.923 ( 2.680 -1.270 0.353) 2.987 2.032 ( 2.193 -1.617 1.609) 3.164 2.064 ( 1.172 3.637 1.258) 4.023 2.154 ( 0.676 1.942 1.168) 2.365 2.202 ( 0.184 2.610 -2.308) 3.489 2.228 ( -4.526 0.971 0.339) 4.642 2.338 ( 3.060 1.176 -0.550) 3.324 2.407 ( 3.538 5.648 -0.533) 6.686 2.492 ( 2.294 2.061 0.308) 3.099 2.824 ( -1.606 0.622 0.358) 1.759 2.844 ( -2.496 1.524 -0.421) 2.955 2.851 ( 0.069 0.820 -0.494) 0.960 2.934 ( 0.888 1.049 0.524) 1.471 2.980 ( 0.101 3.347 1.871) 3.835 3.077 ( -1.008 4.530 -2.649) 5.343 3.137 ( -4.147 0.946 0.761) 4.321 3.244 ( -2.070 3.255 -0.412) 3.879 3.289 ( -0.199 4.933 0.889) 5.016 3.373 ( 0.320 -2.068 0.718) 2.212 3.412 ( -1.976 -1.885 0.429) 2.764 3.502 ( -0.421 -1.428 -0.836) 1.708 3.736 ( 1.719 -4.304 -1.552) 4.887 3.778 ( -3.068 -0.484 -1.199) 3.329 3.797 ( 2.305 -3.816 1.188) 4.613 3.857 ( -4.352 -2.148 0.189) 4.857 3.969 ( -4.943 -0.283 -3.154) 5.871 3.996 ( 0.640 -2.045 2.798) 3.525 4.111 ( 1.151 -4.059 -0.829) 4.300 4.155 ( -0.154 -3.776 1.596) 4.102 4.372 ( 2.876 10.031 -0.718) 10.460 4.459 ( -1.098 7.161 0.160) 7.246 4.696 ( -0.739 2.738 0.243) 2.846 4.768 ( -2.040 -0.208 0.405) 2.090 4.838 ( 3.810 5.150 1.116) 6.503 4.856 ( 3.391 4.671 -1.075) 5.872 5.048 ( 3.033 -2.267 2.397) 4.481 5.197 ( 0.464 -5.747 -2.953) 6.478 5.739 ( 3.318 8.014 -0.552) 8.692 5.748 ( 3.185 7.399 0.434) 8.067 5.898 ( -4.130 3.417 1.145) 5.481 5.910 ( -5.395 3.072 -0.679) 6.245 6.298 ( -3.969 -0.147 0.140) 3.974 6.317 ( -4.145 0.384 -0.145) 4.165 6.454 ( -2.818 0.625 0.163) 2.891 6.473 ( -3.889 -0.195 -0.153) 3.897 6.689 ( -7.423 0.837 1.145) 7.558 6.714 ( -8.350 0.521 -1.275) 8.463 6.938 ( -3.374 -3.261 0.238) 4.699 7.066 ( -4.935 -5.476 0.107) 7.373 7.532 ( -3.418 -1.229 -1.002) 3.768 7.565 ( 0.804 -2.746 1.819) 3.390 7.671 ( -1.695 -4.825 -2.809) 5.834 7.744 ( 0.529 -4.064 1.520) 4.371 8.078 ( 7.604 -2.235 0.819) 7.967 8.102 ( 7.745 -2.011 -0.742) 8.036 8.201 ( 6.129 -3.440 0.657) 7.059 8.247 ( 5.227 -5.706 -0.665) 7.767 11.549 ( -0.333 -1.128 0.190) 1.192 11.549 ( -0.453 -1.185 -0.146) 1.277 11.606 ( -0.426 -2.183 0.025) 2.224 11.615 ( -0.323 -2.381 -0.079) 2.404 14.919 ( -2.071 1.212 0.147) 2.404 14.947 ( -2.226 0.993 0.069) 2.438 15.040 ( -0.303 -0.674 -1.126) 1.347 15.055 ( 0.231 -0.679 0.923) 1.169 15.328 ( 1.182 5.431 0.155) 5.560 15.342 ( 0.272 5.680 -0.242) 5.692 15.377 ( 0.393 5.057 0.248) 5.078 15.457 ( -2.795 4.580 -0.216) 5.370 16.125 ( 3.414 0.561 -0.902) 3.575 16.248 ( 4.510 -2.308 3.818) 6.344 16.485 ( 7.106 -9.101 -6.864) 13.433 16.611 ( 8.166 -9.911 3.686) 13.360 ======================= Grid point 21 (14/65) ======================= q-point: ( 0.38 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 8.576 6.412 -1.279) 10.784 1.134 ( 11.288 3.707 2.917) 12.234 1.175 ( 6.417 1.760 -0.248) 6.659 1.229 ( 5.995 2.448 -1.875) 6.741 1.392 ( -3.906 5.759 -0.697) 6.993 1.478 ( -3.931 1.009 1.079) 4.200 1.503 ( -3.970 0.388 -1.182) 4.160 1.533 ( -4.147 -0.813 -0.536) 4.260 1.665 ( 1.837 6.169 0.558) 6.460 1.735 ( 2.433 1.963 -0.845) 3.238 1.888 ( 1.707 -0.458 0.252) 1.785 1.946 ( 0.430 0.271 0.909) 1.041 2.022 ( -4.186 -1.687 0.528) 4.544 2.067 ( -1.912 -0.748 0.826) 2.212 2.127 ( -2.627 -0.288 -1.220) 2.911 2.177 ( -0.706 -1.957 0.099) 2.083 2.296 ( 7.210 8.220 2.123) 11.138 2.410 ( 3.243 2.545 0.624) 4.169 2.461 ( 3.004 4.201 -1.641) 5.419 2.530 ( 1.861 2.192 -0.748) 2.972 2.799 ( -0.397 2.398 0.289) 2.448 2.814 ( -0.610 1.185 -0.452) 1.407 2.873 ( 0.958 1.092 -0.736) 1.629 2.955 ( -0.218 0.881 1.170) 1.481 3.005 ( 0.403 2.286 1.686) 2.870 3.050 ( 0.047 1.702 -1.599) 2.336 3.082 ( -0.788 1.843 0.357) 2.036 3.205 ( -2.216 3.103 -1.842) 4.235 3.311 ( 0.490 1.621 -0.356) 1.730 3.352 ( -1.683 0.358 1.807) 2.495 3.413 ( 3.947 0.623 0.618) 4.043 3.474 ( -2.468 3.254 0.627) 4.132 3.642 ( -6.905 -0.078 -0.421) 6.918 3.698 ( -5.429 -1.234 -0.515) 5.591 3.845 ( 3.540 -5.508 -1.342) 6.683 3.887 ( 1.450 -0.258 0.338) 1.511 3.918 ( 2.253 -8.996 -1.462) 9.388 4.025 ( 0.650 -0.767 1.876) 2.128 4.098 ( -2.724 -4.472 -0.367) 5.249 4.157 ( -0.177 -3.000 0.371) 3.028 4.429 ( 3.187 6.673 -0.312) 7.402 4.453 ( 1.554 7.410 0.213) 7.575 4.631 ( -3.674 3.668 -0.779) 5.250 4.691 ( -3.922 2.672 0.615) 4.786 4.935 ( 4.409 4.259 0.010) 6.130 4.953 ( 4.741 3.690 0.137) 6.009 5.105 ( 0.401 -1.973 1.455) 2.485 5.157 ( -2.521 -4.241 -1.360) 5.118 5.759 ( -0.489 7.307 -0.170) 7.326 5.775 ( 0.180 6.373 0.194) 6.378 5.832 ( -1.806 5.202 -0.544) 5.533 5.855 ( -1.374 5.331 0.468) 5.525 6.212 ( -3.781 -1.896 -0.263) 4.238 6.228 ( -4.111 -2.375 0.204) 4.752 6.430 ( -0.280 0.636 0.000) 0.695 6.433 ( -0.568 0.109 0.104) 0.587 6.586 ( -3.142 1.875 -1.714) 4.040 6.630 ( -1.718 2.162 1.698) 3.242 6.921 ( 0.790 -4.875 -0.044) 4.939 6.997 ( -2.230 -6.834 0.105) 7.189 7.468 ( -2.308 0.102 -0.473) 2.358 7.553 ( -2.391 -2.241 1.479) 3.596 7.633 ( -0.147 -3.352 -1.993) 3.903 7.735 ( -1.918 -3.819 0.789) 4.346 8.190 ( 3.878 -3.117 0.248) 4.981 8.209 ( 3.876 -2.875 -0.178) 4.829 8.273 ( 0.931 -4.253 0.759) 4.420 8.295 ( 0.709 -5.298 -0.701) 5.391 11.541 ( -0.244 -1.215 -0.150) 1.248 11.547 ( -0.045 -1.285 0.198) 1.301 11.597 ( -0.473 -2.152 0.007) 2.203 11.604 ( -0.562 -2.211 -0.078) 2.282 14.885 ( -1.276 1.333 -0.199) 1.856 14.914 ( -1.313 1.694 0.442) 2.188 15.025 ( -0.421 -1.426 -0.843) 1.709 15.063 ( 0.098 -0.967 0.584) 1.134 15.355 ( 1.286 5.300 0.066) 5.454 15.363 ( 1.613 5.072 -0.056) 5.323 15.388 ( 0.463 4.928 0.079) 4.950 15.422 ( -1.160 4.870 -0.105) 5.007 16.182 ( 2.467 1.093 -0.627) 2.771 16.352 ( 3.226 -2.910 4.422) 6.200 16.528 ( 2.419 -6.695 -6.669) 9.755 16.755 ( 4.234 -10.626 2.844) 11.786 ======================= Grid point 22 (15/65) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 53 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.194 ( 0.000 1.657 0.000) 1.657 1.273 ( 0.000 6.556 0.000) 6.556 1.279 ( -0.000 0.332 -0.000) 0.332 1.320 ( 0.000 6.678 0.000) 6.678 1.364 ( 0.000 5.345 0.000) 5.345 1.392 ( -0.000 1.101 -0.000) 1.101 1.415 ( -0.000 -2.012 -0.000) 2.012 1.461 ( 0.000 0.777 0.000) 0.777 1.684 ( 0.000 5.627 0.000) 5.627 1.762 ( -0.000 2.154 0.000) 2.154 1.920 ( 0.000 -0.682 0.000) 0.682 1.938 ( -0.000 -0.856 0.000) 0.856 1.969 ( -0.000 -2.010 0.000) 2.010 2.051 ( -0.000 2.582 -0.000) 2.582 2.085 ( -0.000 -2.505 0.000) 2.505 2.172 ( -0.000 -2.129 -0.000) 2.129 2.410 ( 0.000 1.421 0.000) 1.421 2.411 ( -0.000 6.321 -0.000) 6.321 2.499 ( 0.000 4.236 0.000) 4.236 2.551 ( -0.000 1.305 -0.000) 1.305 2.794 ( 0.000 3.554 0.000) 3.554 2.816 ( 0.000 1.664 0.000) 1.664 2.867 ( 0.000 1.153 0.000) 1.153 2.945 ( 0.000 0.898 -0.000) 0.898 3.008 ( 0.000 1.593 0.000) 1.593 3.055 ( 0.000 1.254 0.000) 1.254 3.114 ( -0.000 0.457 -0.000) 0.457 3.143 ( 0.000 5.309 0.000) 5.309 3.293 ( -0.000 -2.373 0.000) 2.373 3.403 ( -0.000 4.088 -0.000) 4.088 3.420 ( 0.000 5.057 0.000) 5.057 3.481 ( -0.000 3.380 -0.000) 3.380 3.552 ( -0.000 -1.634 -0.000) 1.634 3.627 ( 0.000 -3.772 0.000) 3.772 3.864 ( -0.000 -5.575 0.000) 5.575 3.911 ( 0.000 -2.655 0.000) 2.655 3.967 ( -0.000 -12.151 0.000) 12.151 4.021 ( 0.000 0.919 0.000) 0.919 4.053 ( 0.000 0.806 0.000) 0.806 4.155 ( 0.000 -2.018 0.000) 2.018 4.467 ( 0.000 4.084 0.000) 4.084 4.495 ( 0.000 6.197 0.000) 6.197 4.582 ( 0.000 4.499 -0.000) 4.499 4.648 ( 0.000 3.861 0.000) 3.861 4.990 ( -0.000 5.552 0.000) 5.552 5.004 ( 0.000 3.760 0.000) 3.760 5.097 ( 0.000 -3.854 0.000) 3.854 5.119 ( 0.000 -3.671 0.000) 3.671 5.780 ( -0.000 5.830 -0.000) 5.830 5.787 ( 0.000 6.330 0.000) 6.330 5.789 ( 0.000 5.352 -0.000) 5.352 5.829 ( -0.000 6.014 0.000) 6.014 6.174 ( 0.000 -1.683 0.000) 1.683 6.188 ( 0.000 -2.728 0.000) 2.728 6.428 ( 0.000 0.552 -0.000) 0.552 6.431 ( 0.000 0.351 0.000) 0.351 6.551 ( 0.000 2.429 0.000) 2.429 6.622 ( 0.000 2.725 0.000) 2.725 6.935 ( 0.000 -5.648 -0.000) 5.648 6.978 ( 0.000 -7.504 0.000) 7.504 7.444 ( 0.000 0.459 0.000) 0.459 7.532 ( -0.000 -1.491 0.000) 1.491 7.625 ( 0.000 -2.956 0.000) 2.956 7.712 ( 0.000 -3.253 0.000) 3.253 8.233 ( 0.000 -3.836 0.000) 3.836 8.259 ( 0.000 -3.706 0.000) 3.706 8.265 ( -0.000 -3.909 0.000) 3.909 8.293 ( 0.000 -4.993 0.000) 4.993 11.538 ( 0.000 -1.267 0.000) 1.267 11.548 ( 0.000 -1.401 -0.000) 1.401 11.591 ( 0.000 -2.103 0.000) 2.103 11.598 ( 0.000 -2.126 0.000) 2.126 14.871 ( 0.000 1.336 0.000) 1.336 14.903 ( -0.000 1.950 0.000) 1.950 15.018 ( 0.000 -1.729 0.000) 1.729 15.066 ( 0.000 -1.066 0.000) 1.066 15.370 ( 0.000 4.960 0.000) 4.960 15.385 ( 0.000 4.656 0.000) 4.656 15.393 ( 0.000 5.122 -0.000) 5.122 15.406 ( 0.000 5.202 0.000) 5.202 16.205 ( 0.000 1.344 -0.000) 1.344 16.404 ( 0.000 -3.450 0.000) 3.450 16.524 ( 0.000 -5.305 0.000) 5.305 16.805 ( -0.000 -10.597 0.000) 10.597 ======================= Grid point 27 (16/65) ======================= q-point: ( 0.00 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.914 ( 0.000 15.408 0.000) 15.408 1.063 ( 0.000 16.495 0.000) 16.495 1.132 ( 0.000 7.222 0.000) 7.222 1.184 ( 0.000 11.041 0.000) 11.041 1.288 ( 0.000 0.346 0.000) 0.346 1.360 ( 0.000 -1.089 0.000) 1.089 1.488 ( 0.000 -3.047 0.000) 3.047 1.526 ( 0.000 -3.951 0.000) 3.951 1.649 ( 0.000 0.006 0.000) 0.006 1.724 ( 0.000 0.731 0.000) 0.731 1.734 ( 0.000 -1.536 0.000) 1.536 1.769 ( 0.000 -1.507 0.000) 1.507 2.090 ( 0.000 0.530 0.000) 0.530 2.092 ( 0.000 2.724 0.000) 2.724 2.109 ( 0.000 2.396 0.000) 2.396 2.239 ( 0.000 4.029 0.000) 4.029 2.271 ( 0.000 -3.451 0.000) 3.451 2.346 ( 0.000 4.497 0.000) 4.497 2.398 ( 0.000 0.488 0.000) 0.488 2.422 ( 0.000 -2.504 0.000) 2.504 2.888 ( 0.000 0.361 0.000) 0.361 2.914 ( 0.000 0.049 0.000) 0.049 2.933 ( 0.000 1.724 0.000) 1.724 2.986 ( 0.000 0.709 0.000) 0.709 3.044 ( 0.000 2.392 0.000) 2.392 3.184 ( 0.000 1.482 0.000) 1.482 3.213 ( 0.000 -3.745 0.000) 3.745 3.266 ( 0.000 -6.012 0.000) 6.012 3.272 ( 0.000 -2.558 0.000) 2.558 3.335 ( 0.000 -1.587 0.000) 1.587 3.388 ( 0.000 -1.409 0.000) 1.409 3.451 ( 0.000 -5.476 0.000) 5.476 3.697 ( 0.000 -1.246 0.000) 1.246 3.755 ( 0.000 -1.109 0.000) 1.109 3.783 ( 0.000 1.259 0.000) 1.259 3.885 ( 0.000 -2.776 0.000) 2.776 3.970 ( 0.000 1.193 0.000) 1.193 4.052 ( 0.000 -1.151 0.000) 1.151 4.118 ( 0.000 -1.128 0.000) 1.128 4.156 ( 0.000 -1.999 0.000) 1.999 4.504 ( 0.000 11.072 0.000) 11.072 4.606 ( 0.000 7.221 0.000) 7.221 4.668 ( 0.000 5.837 0.000) 5.837 4.712 ( 0.000 7.148 0.000) 7.148 4.868 ( 0.000 4.200 0.000) 4.200 4.946 ( 0.000 -3.488 0.000) 3.488 5.005 ( 0.000 -0.165 0.000) 0.165 5.023 ( 0.000 -3.411 0.000) 3.411 5.772 ( 0.000 7.238 0.000) 7.238 5.782 ( 0.000 7.616 0.000) 7.616 5.960 ( 0.000 -1.727 0.000) 1.727 5.975 ( 0.000 -2.471 0.000) 2.471 6.461 ( 0.000 3.312 0.000) 3.312 6.502 ( 0.000 1.892 0.000) 1.892 6.533 ( 0.000 -0.435 0.000) 0.435 6.564 ( 0.000 -1.076 0.000) 1.076 7.157 ( 0.000 -0.437 0.000) 0.437 7.188 ( 0.000 0.053 0.000) 0.053 7.190 ( 0.000 -1.752 0.000) 1.752 7.226 ( 0.000 -2.150 0.000) 2.150 7.369 ( 0.000 2.659 0.000) 2.659 7.478 ( 0.000 -0.813 0.000) 0.813 7.517 ( 0.000 -1.587 0.000) 1.587 7.553 ( 0.000 -3.496 0.000) 3.496 7.814 ( 0.000 -0.436 0.000) 0.436 7.854 ( 0.000 -2.083 0.000) 2.083 7.874 ( 0.000 -2.551 0.000) 2.551 7.912 ( 0.000 -3.058 0.000) 3.058 11.542 ( 0.000 -0.505 0.000) 0.505 11.544 ( 0.000 -0.626 0.000) 0.626 11.568 ( 0.000 -1.909 0.000) 1.909 11.574 ( 0.000 -1.928 0.000) 1.928 14.990 ( 0.000 0.776 0.000) 0.776 15.011 ( 0.000 -0.244 0.000) 0.244 15.048 ( 0.000 0.674 0.000) 0.674 15.059 ( 0.000 0.320 0.000) 0.320 15.402 ( 0.000 5.054 0.000) 5.054 15.449 ( 0.000 2.447 0.000) 2.447 15.464 ( 0.000 2.215 0.000) 2.215 15.582 ( 0.000 -3.929 0.000) 3.929 16.059 ( 0.000 -0.809 0.000) 0.809 16.103 ( 0.000 -2.837 0.000) 2.837 16.150 ( 0.000 -0.175 0.000) 0.175 16.193 ( 0.000 -2.195 0.000) 2.195 ======================= Grid point 28 (17/65) ======================= q-point: ( 0.12 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.934 ( 2.035 13.217 2.025) 13.526 1.081 ( -0.163 8.868 -3.275) 9.455 1.138 ( 2.267 8.304 0.807) 8.646 1.204 ( 1.433 5.548 0.132) 5.731 1.393 ( 8.207 3.065 2.367) 9.075 1.431 ( 7.088 0.199 -2.164) 7.414 1.505 ( 0.804 1.043 -0.039) 1.317 1.555 ( 1.490 -0.689 -0.408) 1.692 1.669 ( 2.321 -1.179 0.142) 2.607 1.714 ( -2.335 -0.038 0.140) 2.339 1.742 ( 2.314 -1.047 0.663) 2.625 1.782 ( 3.917 -2.999 -0.378) 4.947 2.032 ( -2.440 1.436 -1.060) 3.023 2.105 ( -0.820 0.790 3.477) 3.659 2.156 ( 0.842 0.846 -0.449) 1.275 2.222 ( 0.507 1.231 -2.480) 2.814 2.273 ( 1.189 -0.204 0.483) 1.299 2.349 ( -0.724 1.439 -0.432) 1.668 2.418 ( 4.608 3.781 1.118) 6.065 2.473 ( 2.793 -0.083 -0.298) 2.811 2.866 ( -1.877 0.348 0.083) 1.910 2.894 ( -1.888 1.328 0.010) 2.308 2.925 ( -1.075 1.345 0.820) 1.907 2.956 ( -2.462 0.275 -0.092) 2.479 3.027 ( -1.289 2.395 0.745) 2.820 3.166 ( -1.025 0.839 -1.799) 2.234 3.181 ( -4.724 -4.268 -1.334) 6.505 3.266 ( 3.588 -2.741 0.192) 4.519 3.301 ( -0.338 -5.428 1.158) 5.561 3.338 ( 0.096 -0.972 -0.199) 0.996 3.386 ( 1.264 2.570 -0.818) 2.978 3.475 ( 0.568 -5.315 0.572) 5.375 3.649 ( -0.527 -0.255 -0.064) 0.589 3.712 ( -3.920 2.744 -0.401) 4.801 3.777 ( -0.062 -3.266 0.725) 3.346 3.881 ( -2.218 -4.483 -0.626) 5.041 3.989 ( 0.391 0.914 0.308) 1.041 4.053 ( -1.112 -2.184 0.742) 2.560 4.096 ( -1.795 -0.374 0.521) 1.906 4.135 ( -2.659 -1.267 -0.340) 2.965 4.545 ( 4.073 12.104 -0.746) 12.793 4.613 ( 1.857 9.076 0.287) 9.269 4.744 ( 5.395 4.624 -1.160) 7.200 4.751 ( 3.529 6.223 1.435) 7.296 4.873 ( -0.323 2.869 1.038) 3.068 4.920 ( -1.254 -0.938 0.401) 1.616 4.969 ( -2.056 -1.873 -0.931) 2.933 5.053 ( 2.272 -5.292 -0.865) 5.824 5.805 ( 3.084 6.685 0.150) 7.364 5.813 ( 3.097 7.460 -0.185) 8.080 5.964 ( -0.006 -0.896 0.087) 0.900 5.986 ( 0.457 -1.320 0.032) 1.398 6.415 ( -4.465 2.983 -0.053) 5.370 6.449 ( -4.752 2.737 0.199) 5.488 6.508 ( -2.956 -1.486 -0.334) 3.325 6.536 ( -3.567 -1.652 0.296) 3.942 6.929 ( -14.332 1.987 -0.317) 14.472 6.956 ( -13.711 1.576 0.355) 13.806 7.033 ( -11.718 -2.864 -0.399) 12.070 7.097 ( -9.725 -5.306 0.652) 11.098 7.495 ( 4.171 0.819 0.219) 4.256 7.526 ( 3.369 -0.188 -0.741) 3.455 7.576 ( 2.474 -2.925 -0.317) 3.844 7.650 ( 2.224 -5.393 0.369) 5.845 7.888 ( 7.874 0.846 0.400) 7.929 7.923 ( 7.949 -0.310 -0.360) 7.963 7.982 ( 8.496 -2.981 0.795) 9.039 8.014 ( 8.027 -4.416 -0.809) 9.197 11.539 ( -0.258 -0.422 0.087) 0.502 11.541 ( -0.317 -0.556 -0.081) 0.646 11.571 ( 0.023 -2.029 0.126) 2.033 11.572 ( -0.077 -1.982 -0.108) 1.986 14.976 ( -1.417 1.053 0.351) 1.800 14.997 ( -1.220 0.164 -0.407) 1.297 15.044 ( -0.525 0.121 0.712) 0.893 15.051 ( -0.619 0.048 -0.572) 0.844 15.408 ( 0.576 4.822 0.080) 4.857 15.436 ( -0.516 3.135 -0.990) 3.328 15.459 ( -0.771 2.471 1.044) 2.791 15.550 ( -2.465 -1.712 -0.142) 3.005 16.091 ( 2.789 0.853 0.594) 2.976 16.133 ( 3.044 -0.176 -0.425) 3.079 16.208 ( 6.840 -3.911 0.129) 7.880 16.287 ( 7.069 -5.943 -0.467) 9.247 ======================= Grid point 29 (18/65) ======================= q-point: ( 0.25 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.031 ( 6.299 8.215 2.320) 10.609 1.094 ( 4.745 7.293 -2.752) 9.126 1.169 ( 0.791 4.599 0.926) 4.758 1.226 ( 0.850 2.453 -0.345) 2.619 1.466 ( 0.060 -1.213 -0.130) 1.222 1.515 ( 1.629 -0.626 -0.865) 1.948 1.540 ( 0.869 -0.666 0.582) 1.239 1.570 ( -2.618 -0.080 0.243) 2.630 1.711 ( 5.498 5.813 -0.016) 8.002 1.739 ( 3.667 3.197 -0.065) 4.865 1.832 ( 4.205 -0.848 0.123) 4.291 1.884 ( 5.304 -3.227 -0.796) 6.259 1.993 ( -1.236 -0.461 0.339) 1.362 2.102 ( -2.062 1.356 1.655) 2.972 2.135 ( -1.146 -3.167 -0.934) 3.495 2.185 ( -2.507 -2.808 0.760) 3.841 2.343 ( 4.871 7.453 -0.668) 8.928 2.404 ( 4.591 4.176 0.529) 6.229 2.495 ( 2.565 3.013 0.121) 3.959 2.523 ( 2.714 0.943 -0.610) 2.937 2.829 ( -1.504 0.590 -0.080) 1.618 2.863 ( -1.300 1.358 0.188) 1.889 2.889 ( -1.651 1.766 -0.170) 2.424 2.929 ( 0.253 -1.513 0.713) 1.692 3.028 ( 0.604 1.940 1.262) 2.392 3.094 ( -2.856 -1.981 -0.920) 3.596 3.136 ( -1.179 1.234 -1.363) 2.185 3.283 ( -1.222 -0.127 -3.738) 3.934 3.298 ( -0.008 -3.778 2.108) 4.326 3.364 ( 3.373 -0.257 0.420) 3.409 3.418 ( -3.365 2.308 2.203) 4.637 3.465 ( 2.769 -1.741 0.204) 3.277 3.666 ( -0.972 -1.119 -0.504) 1.565 3.697 ( 3.069 -4.374 -0.538) 5.370 3.743 ( -3.832 -3.484 -0.128) 5.181 3.793 ( -5.276 -3.800 -0.805) 6.551 3.986 ( -0.818 1.549 -0.650) 1.868 4.010 ( -3.477 0.763 2.452) 4.323 4.038 ( -1.730 -2.456 -0.977) 3.159 4.100 ( -0.600 -2.570 0.135) 2.643 4.612 ( 2.055 13.622 0.369) 13.781 4.648 ( 0.669 11.516 -0.540) 11.548 4.778 ( -1.668 4.799 -0.253) 5.087 4.801 ( -1.301 5.031 0.242) 5.202 4.898 ( 3.559 0.237 0.323) 3.581 4.921 ( 2.173 0.386 -0.511) 2.266 4.988 ( 3.780 -3.844 2.229) 5.834 5.088 ( 1.696 -5.803 -1.989) 6.364 5.869 ( 2.424 5.194 0.064) 5.733 5.877 ( 2.743 6.273 -0.244) 6.851 5.943 ( -2.309 1.325 0.136) 2.665 5.961 ( -3.071 1.934 0.106) 3.631 6.314 ( -5.417 2.003 0.083) 5.776 6.334 ( -6.611 1.660 -0.110) 6.817 6.434 ( -3.248 -2.758 0.159) 4.264 6.446 ( -3.917 -2.578 -0.119) 4.691 6.725 ( -6.515 2.917 0.575) 7.162 6.748 ( -7.069 2.965 -0.670) 7.695 6.870 ( -4.938 -3.887 0.531) 6.307 6.944 ( -5.893 -6.803 -0.240) 9.004 7.527 ( -1.162 -0.617 0.094) 1.319 7.532 ( -0.441 0.911 0.373) 1.079 7.586 ( -0.564 -3.884 -1.898) 4.360 7.665 ( -0.102 -4.437 1.217) 4.602 8.051 ( 6.773 -0.377 0.503) 6.802 8.072 ( 6.578 -0.829 -0.426) 6.644 8.131 ( 5.468 -3.690 0.559) 6.621 8.147 ( 5.207 -4.661 -0.624) 7.017 11.533 ( -0.439 -0.425 -0.099) 0.618 11.534 ( -0.325 -0.359 0.120) 0.499 11.565 ( -0.411 -1.983 -0.007) 2.025 11.570 ( -0.263 -2.154 -0.017) 2.170 14.946 ( -1.677 1.548 -0.080) 2.284 14.968 ( -1.500 0.940 0.416) 1.818 15.027 ( -1.110 -0.604 -1.151) 1.709 15.041 ( -0.444 -0.846 0.862) 1.286 15.423 ( 0.910 4.321 -0.034) 4.416 15.431 ( 0.537 3.671 -0.308) 3.723 15.457 ( 0.254 2.980 0.452) 3.024 15.508 ( -1.486 0.805 -0.162) 1.698 16.163 ( 4.119 3.486 0.016) 5.396 16.219 ( 4.857 -0.428 1.479) 5.095 16.341 ( 6.630 -6.010 -3.368) 9.562 16.429 ( 6.855 -9.088 1.821) 11.528 ======================= Grid point 30 (19/65) ======================= q-point: ( 0.38 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.177 ( 7.694 2.332 0.519) 8.056 1.199 ( 2.080 0.973 -0.381) 2.328 1.218 ( 3.865 3.311 0.890) 5.167 1.257 ( 5.745 1.057 -0.276) 5.848 1.470 ( -0.845 0.547 0.455) 1.104 1.494 ( -1.541 4.381 -1.306) 4.824 1.509 ( -2.267 -0.555 -0.896) 2.500 1.547 ( -0.588 1.395 0.662) 1.652 1.782 ( 1.501 3.896 -0.656) 4.227 1.798 ( 1.994 6.474 0.041) 6.774 1.880 ( 1.420 -0.291 -0.086) 1.452 1.935 ( 0.368 -1.951 0.195) 1.995 1.968 ( -2.701 -2.523 0.270) 3.706 2.039 ( -2.645 -2.327 0.233) 3.530 2.123 ( -1.887 -0.022 -0.294) 1.910 2.147 ( -1.231 -1.269 1.321) 2.207 2.428 ( 3.173 5.374 0.637) 6.274 2.470 ( 1.984 3.560 0.441) 4.099 2.530 ( 1.742 2.339 -0.747) 3.011 2.567 ( 1.832 1.098 -0.732) 2.258 2.828 ( 1.632 1.578 -0.664) 2.365 2.856 ( 0.359 2.374 0.387) 2.432 2.887 ( 0.378 0.256 -0.421) 0.621 2.947 ( 0.189 -1.496 1.411) 2.065 3.044 ( -0.424 1.402 1.372) 2.007 3.063 ( 0.470 0.444 -1.385) 1.529 3.112 ( -0.100 1.172 -0.297) 1.213 3.233 ( -1.405 -2.512 -3.790) 4.759 3.302 ( -2.692 2.024 3.698) 5.002 3.398 ( 1.781 2.659 -0.896) 3.324 3.411 ( 3.447 -0.251 -0.211) 3.462 3.522 ( 0.951 0.880 2.733) 3.024 3.607 ( -6.224 -3.213 -0.103) 7.005 3.658 ( -5.038 -2.460 -0.223) 5.611 3.696 ( -2.745 -8.005 -0.704) 8.492 3.714 ( 0.125 -8.658 -0.982) 8.715 3.954 ( 0.982 4.088 -2.139) 4.717 4.029 ( 2.216 0.579 1.784) 2.903 4.039 ( 0.718 -1.673 0.523) 1.894 4.107 ( 1.237 -2.522 -0.365) 2.832 4.625 ( -0.286 12.563 -0.292) 12.570 4.647 ( 0.574 11.015 -0.105) 11.031 4.727 ( -2.759 6.527 -0.536) 7.107 4.757 ( -2.165 4.385 0.908) 4.974 4.970 ( 2.312 -2.295 0.107) 3.259 4.980 ( 3.765 -0.980 -0.100) 3.891 5.060 ( 1.048 -2.835 0.872) 3.145 5.079 ( -1.365 -4.143 -0.727) 4.423 5.864 ( -1.997 3.797 -0.038) 4.290 5.872 ( -1.740 3.925 0.021) 4.294 5.904 ( -1.439 2.010 -0.253) 2.485 5.924 ( -1.705 1.840 0.250) 2.521 6.233 ( -2.264 4.097 0.395) 4.697 6.235 ( -2.560 3.624 -0.417) 4.457 6.411 ( 0.182 -2.692 0.262) 2.710 6.417 ( 0.171 -2.416 -0.185) 2.430 6.638 ( -2.711 3.558 -1.356) 4.674 6.679 ( -1.259 2.930 1.396) 3.481 6.823 ( -0.917 -5.240 0.253) 5.326 6.858 ( -2.882 -7.287 -0.260) 7.841 7.490 ( -1.689 2.218 -0.097) 2.789 7.519 ( -1.171 -1.073 0.690) 1.732 7.571 ( 0.160 -2.934 -1.272) 3.202 7.653 ( -1.496 -4.793 0.578) 5.054 8.142 ( 2.814 -1.595 0.135) 3.237 8.160 ( 2.902 -1.945 -0.095) 3.495 8.195 ( 0.983 -3.653 0.648) 3.838 8.200 ( 1.100 -4.369 -0.655) 4.552 11.524 ( -0.302 -0.381 -0.076) 0.492 11.529 ( -0.185 -0.468 0.095) 0.512 11.557 ( -0.389 -1.930 -0.001) 1.969 11.563 ( -0.430 -2.043 -0.033) 2.088 14.915 ( -1.142 1.858 -0.341) 2.207 14.950 ( -0.826 1.822 1.029) 2.250 14.997 ( -0.968 -1.359 -1.287) 2.107 15.038 ( -0.288 -1.657 0.592) 1.783 15.442 ( 0.988 3.757 0.092) 3.886 15.449 ( 1.216 3.695 -0.136) 3.892 15.470 ( 0.679 3.218 -0.092) 3.290 15.490 ( -0.587 2.087 0.110) 2.171 16.234 ( 2.874 4.573 -0.093) 5.402 16.315 ( 3.407 -0.644 2.217) 4.116 16.411 ( 3.123 -5.366 -3.843) 7.302 16.552 ( 4.174 -10.528 1.730) 11.457 ======================= Grid point 31 (20/65) ======================= q-point: (-0.50 0.38 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.207 ( 0.000 0.524 0.000) 0.524 1.270 ( 0.000 -0.586 0.000) 0.586 1.302 ( -0.000 -1.932 -0.000) 1.932 1.318 ( -0.000 -5.672 0.000) 5.672 1.443 ( 0.000 5.161 0.000) 5.161 1.484 ( 0.000 7.020 0.000) 7.020 1.497 ( 0.000 7.518 -0.000) 7.518 1.515 ( 0.000 2.390 0.000) 2.390 1.791 ( 0.000 4.978 0.000) 4.978 1.824 ( -0.000 4.641 0.000) 4.641 1.900 ( 0.000 -1.791 0.000) 1.791 1.917 ( 0.000 -1.038 0.000) 1.038 1.923 ( -0.000 -1.916 0.000) 1.916 2.026 ( -0.000 -3.937 0.000) 3.937 2.088 ( 0.000 1.621 0.000) 1.621 2.141 ( 0.000 -1.295 -0.000) 1.295 2.459 ( 0.000 3.101 0.000) 3.101 2.496 ( 0.000 2.418 0.000) 2.418 2.549 ( 0.000 1.541 0.000) 1.541 2.578 ( -0.000 1.054 -0.000) 1.054 2.855 ( 0.000 2.066 0.000) 2.066 2.862 ( 0.000 3.634 0.000) 3.634 2.882 ( 0.000 0.220 0.000) 0.220 2.948 ( 0.000 -0.436 -0.000) 0.436 3.039 ( 0.000 1.531 0.000) 1.531 3.072 ( 0.000 0.379 0.000) 0.379 3.121 ( 0.000 0.509 -0.000) 0.509 3.202 ( -0.000 -2.126 0.000) 2.126 3.277 ( 0.000 4.047 0.000) 4.047 3.442 ( -0.000 -0.415 0.000) 0.415 3.485 ( 0.000 -0.005 0.000) 0.005 3.506 ( -0.000 -1.336 -0.000) 1.336 3.520 ( 0.000 -0.334 0.000) 0.334 3.570 ( 0.000 -0.760 0.000) 0.760 3.677 ( 0.000 -9.298 0.000) 9.298 3.717 ( 0.000 -10.692 0.000) 10.692 3.973 ( 0.000 3.812 0.000) 3.812 4.040 ( -0.000 0.745 0.000) 0.745 4.068 ( 0.000 0.751 0.000) 0.751 4.123 ( 0.000 -1.635 0.000) 1.635 4.619 ( 0.000 10.894 0.000) 10.894 4.675 ( 0.000 5.333 0.000) 5.333 4.680 ( -0.000 11.713 0.000) 11.713 4.738 ( 0.000 5.622 0.000) 5.622 4.991 ( 0.000 -6.004 0.000) 6.004 5.040 ( -0.000 -1.517 -0.000) 1.517 5.042 ( 0.000 -4.699 0.000) 4.699 5.058 ( -0.000 -0.064 0.000) 0.064 5.853 ( 0.000 1.589 0.000) 1.589 5.862 ( 0.000 2.487 0.000) 2.487 5.874 ( 0.000 3.408 -0.000) 3.408 5.891 ( 0.000 1.346 0.000) 1.346 6.215 ( 0.000 5.474 0.000) 5.474 6.221 ( 0.000 5.949 0.000) 5.949 6.417 ( 0.000 -2.264 0.000) 2.264 6.422 ( 0.000 -1.819 -0.000) 1.819 6.607 ( 0.000 3.478 0.000) 3.478 6.675 ( 0.000 2.892 0.000) 2.892 6.815 ( 0.000 -7.019 -0.000) 7.019 6.833 ( 0.000 -6.931 0.000) 6.931 7.471 ( 0.000 2.504 0.000) 2.504 7.513 ( -0.000 -0.260 0.000) 0.260 7.567 ( 0.000 -3.034 0.000) 3.034 7.635 ( 0.000 -4.720 0.000) 4.720 8.171 ( -0.000 -2.377 0.000) 2.377 8.194 ( 0.000 -2.819 0.000) 2.819 8.195 ( -0.000 -3.066 0.000) 3.066 8.203 ( -0.000 -4.051 0.000) 4.051 11.521 ( 0.000 -0.394 0.000) 0.394 11.528 ( 0.000 -0.574 -0.000) 0.574 11.552 ( 0.000 -1.858 0.000) 1.858 11.558 ( 0.000 -1.968 0.000) 1.968 14.903 ( 0.000 1.952 0.000) 1.952 14.946 ( -0.000 2.558 -0.000) 2.558 14.982 ( 0.000 -2.063 0.000) 2.063 15.037 ( 0.000 -1.951 0.000) 1.951 15.454 ( 0.000 3.566 0.000) 3.566 15.465 ( -0.000 3.529 0.000) 3.529 15.475 ( 0.000 3.118 0.000) 3.118 15.484 ( 0.000 2.731 -0.000) 2.731 16.263 ( 0.000 4.901 -0.000) 4.901 16.360 ( 0.000 -0.784 0.000) 0.784 16.426 ( 0.000 -4.777 0.000) 4.777 16.599 ( -0.000 -10.852 -0.000) 10.852 ======================= Grid point 36 (21/65) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.168 ( 0.000 -11.159 0.000) 11.159 1.168 ( 0.000 11.159 0.000) 11.159 1.270 ( 0.000 -6.873 0.000) 6.873 1.270 ( 0.000 6.873 0.000) 6.873 1.338 ( 0.000 -12.268 0.000) 12.268 1.338 ( 0.000 12.268 0.000) 12.268 1.387 ( 0.000 -9.838 0.000) 9.838 1.387 ( 0.000 9.838 0.000) 9.838 1.702 ( 0.000 -3.718 0.000) 3.718 1.702 ( 0.000 3.718 0.000) 3.718 1.738 ( 0.000 -0.772 0.000) 0.772 1.738 ( 0.000 0.772 0.000) 0.772 2.097 ( 0.000 -0.246 0.000) 0.246 2.097 ( 0.000 0.246 0.000) 0.246 2.191 ( 0.000 -4.577 0.000) 4.577 2.191 ( 0.000 4.577 0.000) 4.577 2.341 ( 0.000 -5.515 0.000) 5.515 2.341 ( 0.000 5.515 0.000) 5.515 2.397 ( 0.000 -0.827 0.000) 0.827 2.397 ( 0.000 0.827 0.000) 0.827 2.903 ( 0.000 -0.974 0.000) 0.974 2.903 ( 0.000 0.974 0.000) 0.974 2.964 ( 0.000 -1.604 0.000) 1.604 2.964 ( 0.000 1.604 0.000) 1.604 3.133 ( 0.000 -5.203 0.000) 5.203 3.133 ( 0.000 5.203 0.000) 5.203 3.193 ( 0.000 -1.309 0.000) 1.309 3.193 ( 0.000 1.309 0.000) 1.309 3.307 ( 0.000 -5.428 0.000) 5.428 3.307 ( 0.000 5.428 0.000) 5.428 3.360 ( 0.000 -3.506 0.000) 3.506 3.360 ( 0.000 3.506 0.000) 3.506 3.718 ( 0.000 -2.423 0.000) 2.423 3.718 ( 0.000 2.423 0.000) 2.423 3.826 ( 0.000 -3.043 0.000) 3.043 3.826 ( 0.000 3.043 0.000) 3.043 4.008 ( 0.000 -2.763 0.000) 2.763 4.008 ( 0.000 2.763 0.000) 2.763 4.122 ( 0.000 -1.398 0.000) 1.398 4.122 ( 0.000 1.398 0.000) 1.398 4.653 ( 0.000 -3.247 0.000) 3.247 4.653 ( 0.000 3.247 0.000) 3.247 4.755 ( 0.000 -2.559 0.000) 2.559 4.755 ( 0.000 2.559 0.000) 2.559 4.918 ( 0.000 -0.888 0.000) 0.888 4.918 ( 0.000 0.888 0.000) 0.888 4.987 ( 0.000 -0.427 0.000) 0.427 4.987 ( 0.000 0.427 0.000) 0.427 5.891 ( 0.000 -5.266 0.000) 5.266 5.891 ( 0.000 5.266 0.000) 5.266 5.908 ( 0.000 -5.242 0.000) 5.242 5.908 ( 0.000 5.242 0.000) 5.242 6.511 ( 0.000 -1.944 0.000) 1.944 6.511 ( 0.000 1.944 0.000) 1.944 6.537 ( 0.000 -1.716 0.000) 1.716 6.537 ( 0.000 1.716 0.000) 1.716 7.162 ( 0.000 -1.005 0.000) 1.005 7.162 ( 0.000 1.005 0.000) 1.005 7.194 ( 0.000 -0.937 0.000) 0.937 7.194 ( 0.000 0.937 0.000) 0.937 7.448 ( 0.000 -4.456 0.000) 4.456 7.448 ( 0.000 4.456 0.000) 4.456 7.492 ( 0.000 -0.016 0.000) 0.016 7.492 ( 0.000 0.016 0.000) 0.016 7.830 ( 0.000 -1.923 0.000) 1.923 7.830 ( 0.000 1.923 0.000) 1.923 7.861 ( 0.000 -2.104 0.000) 2.104 7.861 ( 0.000 2.104 0.000) 2.104 11.543 ( 0.000 -0.700 0.000) 0.700 11.543 ( 0.000 0.700 0.000) 0.700 11.546 ( 0.000 -0.848 0.000) 0.848 11.546 ( 0.000 0.848 0.000) 0.848 15.003 ( 0.000 -0.575 0.000) 0.575 15.003 ( 0.000 0.575 0.000) 0.575 15.058 ( 0.000 -0.354 0.000) 0.354 15.058 ( 0.000 0.354 0.000) 0.354 15.473 ( 0.000 -1.274 0.000) 1.274 15.473 ( 0.000 1.274 0.000) 1.274 15.502 ( 0.000 -4.241 0.000) 4.241 15.502 ( 0.000 4.241 0.000) 4.241 16.063 ( 0.000 -1.263 0.000) 1.263 16.063 ( 0.000 1.263 0.000) 1.263 16.160 ( 0.000 -1.207 0.000) 1.207 16.160 ( 0.000 1.207 0.000) 1.207 ======================= Grid point 38 (22/65) ======================= q-point: ( 0.12 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -0.766 -8.723 1.375) 8.864 1.153 ( -0.766 8.723 1.375) 8.864 1.211 ( -1.563 -3.901 -1.201) 4.371 1.211 ( -1.563 3.901 -1.201) 4.371 1.453 ( 5.589 -5.087 -0.947) 7.617 1.453 ( 5.589 5.087 -0.947) 7.617 1.483 ( 6.260 -5.432 0.626) 8.312 1.483 ( 6.260 5.432 0.626) 8.312 1.698 ( 1.738 -3.208 -0.346) 3.665 1.698 ( 1.738 3.208 -0.346) 3.665 1.740 ( 1.264 -1.780 0.139) 2.187 1.740 ( 1.264 1.780 0.139) 2.187 2.080 ( -1.681 -2.892 1.369) 3.614 2.080 ( -1.681 2.892 1.369) 3.614 2.181 ( -1.949 -2.465 -1.464) 3.467 2.181 ( -1.949 2.465 -1.464) 3.467 2.339 ( 3.025 -2.956 0.396) 4.248 2.339 ( 3.025 2.956 0.396) 4.248 2.460 ( 3.962 -1.185 0.044) 4.136 2.460 ( 3.962 1.185 0.044) 4.136 2.886 ( -1.669 -1.576 0.558) 2.362 2.886 ( -1.669 1.576 0.558) 2.362 2.948 ( -1.724 -0.896 0.174) 1.951 2.948 ( -1.724 0.896 0.174) 1.951 3.092 ( -2.929 -3.964 -0.917) 5.013 3.092 ( -2.929 3.964 -0.917) 5.013 3.213 ( 0.897 -2.957 0.760) 3.182 3.213 ( 0.897 2.957 0.760) 3.182 3.285 ( -0.421 -3.709 -0.769) 3.812 3.285 ( -0.421 3.709 -0.769) 3.812 3.405 ( 3.099 -1.128 -0.133) 3.301 3.405 ( 3.099 1.128 -0.133) 3.301 3.700 ( -1.521 -4.390 0.166) 4.649 3.700 ( -1.521 4.390 0.166) 4.649 3.793 ( -2.799 -4.669 -0.346) 5.454 3.793 ( -2.799 4.669 -0.346) 5.454 4.011 ( -0.582 -1.799 1.054) 2.164 4.011 ( -0.582 1.799 1.054) 2.164 4.106 ( -1.990 -1.396 -0.155) 2.435 4.106 ( -1.990 1.396 -0.155) 2.435 4.708 ( 5.624 -2.888 -0.374) 6.334 4.708 ( 5.624 2.888 -0.374) 6.334 4.789 ( 2.859 -1.243 0.517) 3.160 4.789 ( 2.859 1.243 0.517) 3.160 4.916 ( -0.689 -1.413 0.333) 1.607 4.916 ( -0.689 1.413 0.333) 1.607 4.963 ( -1.484 -3.859 -0.827) 4.216 4.963 ( -1.484 3.859 -0.827) 4.216 5.911 ( 1.850 -3.761 -0.429) 4.213 5.911 ( 1.850 3.761 -0.429) 4.213 5.934 ( 2.166 -4.037 0.411) 4.599 5.934 ( 2.166 4.037 0.411) 4.599 6.468 ( -4.346 -2.587 -0.202) 5.062 6.468 ( -4.346 2.587 -0.202) 5.062 6.497 ( -4.409 -2.330 0.254) 4.993 6.497 ( -4.409 2.330 0.254) 4.993 6.976 ( -12.981 -2.908 -0.383) 13.308 6.976 ( -12.981 2.908 -0.383) 13.308 7.007 ( -11.890 -3.890 0.423) 12.517 7.007 ( -11.890 3.890 0.423) 12.517 7.534 ( 2.285 -1.360 -1.195) 2.915 7.534 ( 2.285 1.360 -1.195) 2.915 7.551 ( 3.244 -4.333 1.153) 5.534 7.551 ( 3.244 4.333 1.153) 5.534 7.923 ( 7.991 -2.053 0.305) 8.256 7.923 ( 7.991 2.053 0.305) 8.256 7.947 ( 7.712 -1.806 -0.338) 7.928 7.947 ( 7.712 1.806 -0.338) 7.928 11.542 ( -0.137 -0.351 -0.011) 0.377 11.542 ( -0.137 0.351 -0.011) 0.377 11.545 ( -0.170 -0.402 0.019) 0.437 11.545 ( -0.170 0.402 0.019) 0.437 14.993 ( -1.022 -0.626 0.078) 1.201 14.993 ( -1.022 0.626 0.078) 1.201 15.049 ( -0.945 -0.259 -0.028) 0.980 15.049 ( -0.945 0.259 -0.028) 0.980 15.469 ( -0.142 -0.979 -0.215) 1.013 15.469 ( -0.142 0.979 -0.215) 1.013 15.497 ( -0.399 -3.508 0.204) 3.537 15.497 ( -0.399 3.508 0.204) 3.537 16.116 ( 4.858 -1.743 0.352) 5.173 16.116 ( 4.858 1.743 0.352) 5.173 16.200 ( 3.951 -2.985 -0.400) 4.968 16.200 ( 3.951 2.985 -0.400) 4.968 ======================= Grid point 40 (23/65) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 1.352 -4.568 -0.056) 4.764 1.165 ( 1.352 4.568 -0.056) 4.764 1.212 ( 1.784 -3.772 0.168) 4.176 1.212 ( 1.784 3.772 0.168) 4.176 1.479 ( -0.282 -3.283 -0.082) 3.296 1.479 ( -0.282 3.283 -0.082) 3.296 1.543 ( 0.337 -2.743 0.083) 2.765 1.543 ( 0.337 2.743 0.083) 2.765 1.800 ( 5.149 -3.355 0.736) 6.189 1.800 ( 5.149 3.355 0.736) 6.189 1.810 ( 5.448 -3.883 -0.567) 6.714 1.810 ( 5.448 3.883 -0.567) 6.714 2.045 ( -2.149 -5.021 -2.069) 5.840 2.045 ( -2.149 5.021 -2.069) 5.840 2.139 ( -1.550 -2.116 2.258) 3.461 2.139 ( -1.550 2.116 2.258) 3.461 2.434 ( 5.113 -1.816 -0.029) 5.426 2.434 ( 5.113 1.816 -0.029) 5.426 2.526 ( 2.629 -0.569 -0.248) 2.701 2.526 ( 2.629 0.569 -0.248) 2.701 2.858 ( -1.278 -2.144 0.566) 2.559 2.858 ( -1.278 2.144 0.566) 2.559 2.907 ( -1.496 -0.681 0.086) 1.646 2.907 ( -1.496 0.681 0.086) 1.646 3.057 ( -0.109 -1.436 -0.253) 1.462 3.057 ( -0.109 1.436 -0.253) 1.463 3.195 ( -2.012 -4.710 -1.202) 5.261 3.195 ( -2.012 4.710 -1.202) 5.261 3.323 ( 3.769 -2.979 -0.482) 4.829 3.323 ( 3.769 2.979 -0.482) 4.829 3.444 ( 0.474 -1.121 1.764) 2.143 3.444 ( 0.474 1.121 1.764) 2.143 3.675 ( -1.260 -1.779 -0.045) 2.180 3.675 ( -1.260 1.779 -0.045) 2.180 3.713 ( -5.283 -3.851 -0.990) 6.612 3.713 ( -5.283 3.851 -0.990) 6.612 4.004 ( -0.469 -0.355 1.978) 2.063 4.004 ( -0.469 0.355 1.978) 2.063 4.050 ( -2.161 -2.523 -1.414) 3.610 4.050 ( -2.161 2.523 -1.414) 3.610 4.812 ( 2.066 -5.927 1.038) 6.362 4.812 ( 2.066 5.927 1.038) 6.362 4.828 ( -0.314 -4.764 -1.117) 4.904 4.828 ( -0.314 4.764 -1.117) 4.904 4.897 ( 1.995 -4.486 -0.642) 4.951 4.897 ( 1.995 4.486 -0.642) 4.951 4.967 ( 1.590 -6.845 0.677) 7.059 4.967 ( 1.590 6.845 0.676) 7.060 5.934 ( 0.166 -1.470 -0.294) 1.508 5.934 ( 0.166 1.470 -0.294) 1.508 5.965 ( -0.176 -1.729 0.238) 1.754 5.965 ( -0.176 1.729 0.238) 1.754 6.367 ( -4.485 -2.736 0.062) 5.254 6.367 ( -4.485 2.736 0.062) 5.254 6.386 ( -5.452 -2.596 -0.044) 6.038 6.386 ( -5.452 2.596 -0.044) 6.038 6.787 ( -6.089 -2.891 0.347) 6.749 6.787 ( -6.089 2.891 0.347) 6.749 6.833 ( -6.040 -4.211 -0.293) 7.369 6.833 ( -6.040 4.211 -0.293) 7.369 7.532 ( -0.716 -1.604 -0.866) 1.958 7.532 ( -0.716 1.604 -0.866) 1.958 7.583 ( -0.267 -3.867 0.838) 3.966 7.583 ( -0.267 3.867 0.838) 3.966 8.069 ( 5.757 -1.816 0.262) 6.042 8.069 ( 5.757 1.816 0.262) 6.042 8.085 ( 5.569 -1.412 -0.286) 5.753 8.085 ( 5.569 1.412 -0.286) 5.753 11.536 ( -0.362 -0.664 -0.001) 0.756 11.536 ( -0.362 0.664 -0.001) 0.756 11.540 ( -0.323 -0.770 -0.000) 0.835 11.540 ( -0.323 0.770 -0.000) 0.835 14.970 ( -1.201 -0.815 0.042) 1.452 14.970 ( -1.201 0.815 0.042) 1.452 15.026 ( -1.276 -0.594 -0.011) 1.408 15.026 ( -1.276 0.594 -0.011) 1.408 15.471 ( 0.579 -0.310 -0.323) 0.732 15.471 ( 0.579 0.310 -0.323) 0.732 15.494 ( 0.047 -1.862 0.307) 1.888 15.494 ( 0.047 1.862 0.307) 1.888 16.228 ( 5.794 -0.636 0.037) 5.829 16.228 ( 5.794 0.636 0.037) 5.829 16.291 ( 5.136 -3.731 -0.062) 6.348 16.291 ( 5.136 3.731 -0.062) 6.348 ======================= Grid point 42 (24/65) ======================= q-point: ( 0.38 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.203 ( 2.434 -0.541 -0.022) 2.493 1.203 ( 2.434 0.541 -0.022) 2.493 1.254 ( 1.769 -1.412 0.092) 2.265 1.254 ( 1.769 1.412 0.092) 2.265 1.498 ( 1.670 -1.308 0.096) 2.123 1.498 ( 1.670 1.308 0.096) 2.123 1.547 ( 1.089 -1.326 0.076) 1.718 1.547 ( 1.089 1.326 0.076) 1.718 1.860 ( 1.233 -3.752 -0.489) 3.980 1.860 ( 1.233 3.752 -0.489) 3.980 1.878 ( 1.389 -2.141 0.512) 2.604 1.878 ( 1.389 2.141 0.512) 2.604 1.980 ( -2.963 -3.476 -1.095) 4.697 1.980 ( -2.963 3.476 -1.095) 4.697 2.129 ( -1.226 -0.641 1.404) 1.971 2.129 ( -1.226 0.641 1.404) 1.971 2.497 ( 1.335 -1.550 -0.428) 2.090 2.497 ( 1.335 1.550 -0.428) 2.090 2.561 ( 1.373 -1.413 0.069) 1.971 2.561 ( 1.373 1.413 0.069) 1.971 2.858 ( 1.187 -1.452 -0.128) 1.880 2.858 ( 1.187 1.452 -0.128) 1.880 2.912 ( 0.968 -2.012 0.660) 2.328 2.912 ( 0.968 2.012 0.660) 2.328 3.063 ( 0.205 -0.712 0.344) 0.817 3.063 ( 0.205 0.712 0.344) 0.817 3.154 ( -0.752 -3.866 -1.719) 4.297 3.154 ( -0.752 3.866 -1.719) 4.297 3.376 ( 1.235 -3.622 -0.650) 3.881 3.376 ( 1.235 3.622 -0.650) 3.881 3.468 ( 0.734 -4.790 3.038) 5.719 3.468 ( 0.734 4.790 3.038) 5.719 3.586 ( -5.565 -2.495 -0.903) 6.165 3.586 ( -5.565 2.495 -0.903) 6.165 3.640 ( -2.373 -1.000 -0.632) 2.651 3.640 ( -2.373 1.000 -0.632) 2.651 4.013 ( 1.166 -1.599 -0.553) 2.055 4.013 ( 1.166 1.599 -0.553) 2.055 4.057 ( 2.444 -2.509 0.359) 3.521 4.057 ( 2.444 2.509 0.359) 3.521 4.782 ( -1.992 -2.385 -0.749) 3.197 4.782 ( -1.992 2.385 -0.749) 3.197 4.815 ( -0.605 -2.976 0.749) 3.128 4.815 ( -0.605 2.976 0.749) 3.128 4.967 ( 2.647 -4.840 0.166) 5.519 4.967 ( 2.647 4.840 0.166) 5.519 4.982 ( -0.675 -4.688 -0.087) 4.737 4.982 ( -0.675 4.688 -0.087) 4.737 5.909 ( -2.287 -0.877 -0.162) 2.455 5.909 ( -2.287 0.877 -0.162) 2.455 5.926 ( -2.528 -1.354 0.207) 2.876 5.926 ( -2.528 1.354 0.207) 2.876 6.332 ( 0.129 -4.905 -0.018) 4.907 6.332 ( 0.129 4.905 -0.018) 4.907 6.336 ( 0.052 -5.373 0.034) 5.373 6.336 ( 0.052 5.373 0.034) 5.373 6.714 ( -2.337 -3.245 -0.171) 4.002 6.714 ( -2.337 3.245 -0.171) 4.002 6.755 ( -2.249 -2.345 0.146) 3.252 6.755 ( -2.249 2.345 0.146) 3.252 7.518 ( -0.279 -0.680 -0.050) 0.736 7.518 ( -0.279 0.680 -0.050) 0.736 7.566 ( -1.415 -3.802 0.042) 4.057 7.566 ( -1.415 3.802 0.042) 4.057 8.140 ( 1.831 -1.185 -0.048) 2.182 8.140 ( 1.831 1.185 -0.048) 2.182 8.151 ( 1.694 -0.573 0.044) 1.788 8.151 ( 1.694 0.573 0.044) 1.788 11.529 ( -0.323 -0.894 0.001) 0.951 11.529 ( -0.323 0.894 0.001) 0.951 11.533 ( -0.310 -0.924 -0.007) 0.974 11.533 ( -0.310 0.924 -0.007) 0.974 14.950 ( -0.800 -1.644 -0.039) 1.829 14.950 ( -0.800 1.644 -0.039) 1.829 15.004 ( -0.896 -1.860 0.038) 2.065 15.004 ( -0.896 1.860 0.038) 2.065 15.486 ( 0.952 -0.340 -0.294) 1.053 15.486 ( 0.952 0.340 -0.294) 1.053 15.501 ( 0.333 -0.479 0.286) 0.649 15.501 ( 0.333 0.479 0.286) 0.649 16.319 ( 3.470 -2.370 -0.362) 4.218 16.319 ( 3.470 2.370 -0.362) 4.218 16.379 ( 3.468 -6.495 0.365) 7.372 16.379 ( 3.468 6.495 0.365) 7.372 ======================= Grid point 44 (25/65) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 33 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 -2.870 0.000) 2.870 1.235 ( 0.000 2.870 0.000) 2.870 1.271 ( 0.000 -0.869 0.000) 0.869 1.271 ( 0.000 0.869 0.000) 0.869 1.513 ( -0.000 -2.052 -0.000) 2.052 1.513 ( 0.000 2.052 0.000) 2.052 1.574 ( 0.000 -0.495 0.000) 0.495 1.574 ( 0.000 0.495 0.000) 0.495 1.858 ( 0.000 -2.641 0.000) 2.641 1.858 ( -0.000 2.641 0.000) 2.641 1.898 ( 0.000 -1.173 -0.000) 1.173 1.898 ( 0.000 1.173 0.000) 1.173 1.939 ( 0.000 -4.781 -0.000) 4.781 1.939 ( 0.000 4.781 0.000) 4.781 2.117 ( -0.000 -1.375 -0.000) 1.375 2.117 ( 0.000 1.375 0.000) 1.375 2.504 ( 0.000 -1.279 0.000) 1.279 2.504 ( 0.000 1.279 -0.000) 1.279 2.576 ( 0.000 -1.185 0.000) 1.185 2.576 ( 0.000 1.185 0.000) 1.185 2.876 ( 0.000 -0.632 -0.000) 0.632 2.876 ( -0.000 0.632 0.000) 0.632 2.925 ( 0.000 -2.352 -0.000) 2.352 2.925 ( -0.000 2.352 0.000) 2.352 3.065 ( 0.000 -1.077 -0.000) 1.077 3.065 ( -0.000 1.077 0.000) 1.077 3.144 ( -0.000 -2.371 0.000) 2.371 3.144 ( 0.000 2.371 -0.000) 2.371 3.381 ( 0.000 -5.588 0.000) 5.588 3.381 ( -0.000 5.588 0.000) 5.588 3.469 ( -0.000 -0.448 -0.000) 0.448 3.469 ( -0.000 0.448 0.000) 0.448 3.548 ( 0.000 -4.048 0.000) 4.048 3.548 ( -0.000 4.048 0.000) 4.048 3.603 ( 0.000 -3.016 0.000) 3.016 3.603 ( -0.000 3.016 -0.000) 3.016 4.031 ( 0.000 -1.939 0.000) 1.939 4.031 ( 0.000 1.939 0.000) 1.939 4.090 ( 0.000 -1.672 0.000) 1.672 4.090 ( -0.000 1.672 0.000) 1.672 4.759 ( -0.000 -0.803 0.000) 0.803 4.759 ( 0.000 0.803 0.000) 0.803 4.816 ( 0.000 -0.071 0.000) 0.071 4.816 ( -0.000 0.071 0.000) 0.071 4.959 ( 0.000 -4.272 0.000) 4.272 4.959 ( 0.000 4.272 0.000) 4.272 4.994 ( 0.000 -3.110 0.000) 3.110 4.994 ( 0.000 3.110 0.000) 3.110 5.877 ( 0.000 -0.665 0.000) 0.665 5.877 ( 0.000 0.665 -0.000) 0.665 5.905 ( 0.000 -0.044 0.000) 0.044 5.905 ( 0.000 0.044 0.000) 0.044 6.337 ( -0.000 -6.079 0.000) 6.079 6.337 ( 0.000 6.079 0.000) 6.079 6.346 ( 0.000 -6.146 0.000) 6.146 6.346 ( 0.000 6.146 0.000) 6.146 6.689 ( -0.000 -5.556 0.000) 5.556 6.689 ( 0.000 5.557 0.000) 5.557 6.736 ( -0.000 -3.817 0.000) 3.817 6.736 ( 0.000 3.817 0.000) 3.817 7.519 ( 0.000 -2.014 0.000) 2.014 7.519 ( -0.000 2.014 0.000) 2.014 7.546 ( 0.000 -4.256 0.000) 4.256 7.546 ( -0.000 4.256 0.000) 4.256 8.155 ( 0.000 -0.844 0.000) 0.844 8.155 ( 0.000 0.844 0.000) 0.844 8.165 ( -0.000 -0.014 0.000) 0.014 8.165 ( 0.000 0.014 0.000) 0.014 11.526 ( 0.000 -0.887 -0.000) 0.887 11.526 ( 0.000 0.887 0.000) 0.887 11.530 ( 0.000 -0.840 0.000) 0.840 11.530 ( 0.000 0.840 0.000) 0.840 14.942 ( -0.000 -2.160 0.000) 2.160 14.942 ( 0.000 2.160 0.000) 2.160 14.995 ( -0.000 -2.523 -0.000) 2.523 14.995 ( 0.000 2.523 0.000) 2.523 15.496 ( -0.000 -0.781 0.000) 0.781 15.496 ( 0.000 0.781 0.000) 0.781 15.506 ( -0.000 -0.508 0.000) 0.508 15.506 ( 0.000 0.508 -0.000) 0.508 16.352 ( 0.000 -3.324 0.000) 3.324 16.352 ( 0.000 3.324 0.000) 3.324 16.416 ( 0.000 -7.834 0.000) 7.834 16.416 ( 0.000 7.834 -0.000) 7.834 ======================= Grid point 81 (26/65) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.283 ( 0.835 0.000 12.888) 12.915 0.315 ( -12.498 0.000 15.084) 19.589 0.492 ( -0.347 0.000 -4.155) 4.170 0.592 ( 5.968 0.000 -11.001) 12.516 0.611 ( 1.913 0.000 23.244) 23.323 1.057 ( 1.903 0.000 -16.763) 16.870 1.573 ( -0.319 0.000 0.144) 0.350 1.577 ( 0.263 0.000 -0.270) 0.377 1.695 ( 2.395 0.000 1.046) 2.614 1.720 ( -3.299 0.000 -0.848) 3.406 1.764 ( -4.630 0.000 3.065) 5.553 1.776 ( 1.363 0.000 0.463) 1.439 1.830 ( -2.422 0.000 0.420) 2.458 1.868 ( 3.158 0.000 -1.700) 3.586 2.148 ( 0.165 0.000 0.704) 0.723 2.167 ( -0.690 0.000 -0.900) 1.134 2.177 ( 0.111 0.000 1.783) 1.787 2.221 ( 1.244 0.000 -2.034) 2.385 2.304 ( 0.670 0.000 3.353) 3.420 2.391 ( -1.114 0.000 -4.828) 4.955 2.537 ( -0.132 0.000 1.191) 1.198 2.540 ( 0.305 0.000 0.695) 0.759 2.823 ( 0.156 0.000 0.538) 0.560 2.836 ( 0.146 0.000 -0.731) 0.745 2.895 ( -0.174 0.000 0.260) 0.313 2.904 ( 0.163 0.000 -0.542) 0.566 3.120 ( -0.636 0.000 1.538) 1.665 3.159 ( 0.348 0.000 -2.127) 2.155 3.460 ( 1.812 0.000 0.664) 1.930 3.479 ( -5.270 0.000 -0.931) 5.351 3.550 ( -8.534 0.000 2.470) 8.884 3.619 ( 7.258 0.000 -3.565) 8.087 3.765 ( -1.745 0.000 0.548) 1.829 3.773 ( 2.239 0.000 -0.269) 2.256 3.852 ( -16.962 0.000 3.808) 17.384 3.920 ( 22.959 0.000 -2.512) 23.096 4.053 ( 4.319 0.000 0.994) 4.432 4.072 ( -4.637 0.000 -0.731) 4.694 4.114 ( 2.415 0.000 1.951) 3.104 4.146 ( 1.831 0.000 -0.472) 1.891 4.278 ( -5.677 0.000 0.487) 5.698 4.338 ( 2.899 0.000 -5.453) 6.176 4.629 ( 0.454 0.000 0.343) 0.569 4.637 ( -1.465 0.000 -0.238) 1.484 4.713 ( 14.914 0.000 8.213) 17.026 4.833 ( -29.221 0.000 -3.334) 29.411 5.194 ( -3.558 0.000 0.787) 3.644 5.224 ( 11.135 0.000 -1.902) 11.297 5.442 ( -0.106 0.000 0.299) 0.318 5.450 ( 0.067 0.000 -0.387) 0.393 5.969 ( 0.418 0.000 0.506) 0.656 5.980 ( -0.443 0.000 -0.567) 0.719 6.265 ( -0.537 0.000 0.225) 0.583 6.270 ( 0.510 0.000 -0.235) 0.562 6.533 ( 0.173 0.000 0.043) 0.179 6.534 ( 0.025 0.000 -0.039) 0.046 7.102 ( -0.347 0.000 0.118) 0.366 7.105 ( 0.341 0.000 -0.106) 0.357 7.270 ( 2.627 0.000 0.092) 2.628 7.272 ( -4.894 0.000 -0.109) 4.895 7.357 ( -2.849 0.000 0.029) 2.850 7.358 ( 2.882 0.000 -0.043) 2.882 7.657 ( -1.187 0.000 0.074) 1.189 7.658 ( 1.373 0.000 -0.024) 1.373 7.967 ( 2.032 0.000 0.143) 2.037 7.970 ( -1.987 0.000 -0.173) 1.994 8.025 ( -2.360 0.000 0.260) 2.374 8.030 ( 8.011 0.000 -0.233) 8.015 11.591 ( 0.094 0.000 0.143) 0.171 11.594 ( -0.089 0.000 -0.145) 0.170 11.657 ( 0.057 0.000 0.052) 0.077 11.658 ( 0.118 0.000 -0.047) 0.127 15.028 ( -0.024 0.000 0.414) 0.414 15.038 ( 0.019 0.000 -0.414) 0.415 15.076 ( -0.516 0.000 0.194) 0.551 15.081 ( 0.163 0.000 -0.227) 0.279 15.131 ( -0.125 0.000 0.246) 0.276 15.136 ( 0.124 0.000 -0.206) 0.240 15.250 ( 13.214 0.000 0.128) 13.215 15.252 ( -4.376 0.000 -0.118) 4.378 16.155 ( 2.503 0.000 0.390) 2.533 16.167 ( -3.770 0.000 -0.671) 3.829 16.293 ( 13.631 0.000 1.552) 13.720 16.324 ( -29.724 0.000 -1.274) 29.751 ======================= Grid point 82 (27/65) ======================= q-point: ( 0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.422 ( 16.623 0.000 -3.154) 16.920 0.480 ( 14.673 0.000 7.054) 16.280 0.719 ( 15.529 0.000 1.522) 15.603 0.724 ( 4.808 0.000 -15.114) 15.860 0.935 ( 17.959 0.000 13.347) 22.375 1.109 ( 14.152 0.000 -4.812) 14.947 1.566 ( -1.431 0.000 -0.383) 1.482 1.575 ( -0.648 0.000 -0.102) 0.657 1.747 ( 3.248 0.000 -0.524) 3.290 1.750 ( 1.191 0.000 -3.491) 3.689 1.781 ( 1.095 0.000 0.472) 1.193 1.798 ( 0.050 0.000 2.004) 2.005 1.823 ( 2.713 0.000 1.480) 3.091 1.939 ( 4.260 0.000 0.205) 4.265 2.123 ( -2.989 0.000 -0.609) 3.051 2.142 ( -1.306 0.000 1.821) 2.241 2.184 ( -0.069 0.000 0.233) 0.243 2.246 ( 1.802 0.000 -2.268) 2.897 2.357 ( -0.372 0.000 -3.345) 3.366 2.389 ( 5.029 0.000 3.908) 6.369 2.583 ( 4.996 0.000 -0.276) 5.003 2.589 ( 3.680 0.000 -0.226) 3.687 2.825 ( -0.248 0.000 0.414) 0.483 2.836 ( 0.635 0.000 -0.718) 0.958 2.894 ( -0.596 0.000 -0.356) 0.694 2.902 ( 0.694 0.000 0.753) 1.024 3.139 ( 0.733 0.000 3.237) 3.319 3.149 ( -0.684 0.000 -2.429) 2.523 3.418 ( -3.664 0.000 -0.427) 3.689 3.453 ( 1.379 0.000 -0.464) 1.455 3.495 ( -4.542 0.000 1.917) 4.930 3.584 ( -9.008 0.000 -1.585) 9.146 3.770 ( -1.052 0.000 1.910) 2.180 3.771 ( -2.223 0.000 -0.763) 2.351 3.862 ( 10.897 0.000 -1.063) 10.949 3.973 ( -5.820 0.000 0.578) 5.849 4.002 ( 0.508 0.000 0.621) 0.803 4.094 ( 1.192 0.000 -0.133) 1.200 4.130 ( -1.502 0.000 0.944) 1.774 4.177 ( -2.259 0.000 2.312) 3.232 4.365 ( 1.991 0.000 0.930) 2.198 4.377 ( 2.529 0.000 -0.147) 2.534 4.590 ( 6.011 0.000 -10.933) 12.477 4.632 ( 2.014 0.000 0.929) 2.218 4.723 ( 4.112 0.000 0.272) 4.121 5.007 ( -3.826 0.000 7.425) 8.353 5.083 ( 2.756 0.000 3.803) 4.696 5.270 ( -0.787 0.000 -7.138) 7.181 5.486 ( 3.502 0.000 0.347) 3.519 5.492 ( 3.045 0.000 -0.197) 3.051 5.925 ( -4.668 0.000 -0.528) 4.698 5.935 ( -4.464 0.000 0.597) 4.503 6.271 ( 0.855 0.000 0.044) 0.856 6.300 ( 1.757 0.000 -0.040) 1.758 6.499 ( -3.176 0.000 0.277) 3.188 6.501 ( -3.028 0.000 -0.360) 3.049 6.902 ( -11.470 0.000 -2.162) 11.672 6.912 ( -10.500 0.000 2.272) 10.743 7.112 ( -9.605 0.000 -1.048) 9.662 7.219 ( -4.957 0.000 -2.256) 5.446 7.582 ( 10.926 0.000 2.281) 11.161 7.599 ( 2.850 0.000 -1.130) 3.066 7.788 ( 2.857 0.000 -4.913) 5.683 7.863 ( 6.872 0.000 4.616) 8.279 7.931 ( 13.864 0.000 1.764) 13.976 7.950 ( 5.607 0.000 0.319) 5.616 8.110 ( 6.938 0.000 -0.250) 6.943 8.258 ( 9.190 0.000 -4.799) 10.368 11.587 ( -0.483 0.000 -0.176) 0.514 11.589 ( -0.315 0.000 0.255) 0.405 11.661 ( 0.036 0.000 0.143) 0.148 11.663 ( 0.304 0.000 -0.635) 0.705 14.989 ( -4.133 0.000 -1.576) 4.423 14.993 ( -4.191 0.000 1.570) 4.475 15.053 ( 0.155 0.000 0.587) 0.607 15.065 ( -0.053 0.000 -0.582) 0.584 15.146 ( 1.455 0.000 0.274) 1.480 15.150 ( 1.426 0.000 -0.211) 1.442 15.217 ( 1.494 0.000 -0.820) 1.704 15.307 ( -2.175 0.000 -0.340) 2.202 16.105 ( -0.619 0.000 1.012) 1.187 16.269 ( 8.168 0.000 0.897) 8.217 16.364 ( 13.651 0.000 -11.221) 17.670 16.736 ( 18.051 0.000 10.548) 20.906 ======================= Grid point 83 (28/65) ======================= q-point: ( 0.25 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.711 ( 7.106 0.000 -11.823) 13.794 0.733 ( 16.461 0.000 -2.349) 16.628 0.833 ( 15.862 0.000 4.188) 16.405 0.976 ( 9.808 0.000 2.397) 10.097 1.330 ( 3.797 0.000 4.274) 5.717 1.374 ( 18.739 0.000 -0.188) 18.740 1.506 ( -3.049 0.000 0.131) 3.052 1.544 ( -1.980 0.000 0.151) 1.986 1.677 ( -5.201 0.000 -0.290) 5.209 1.744 ( -5.232 0.000 0.524) 5.258 1.782 ( 2.224 0.000 -1.598) 2.739 1.841 ( 2.739 0.000 0.892) 2.880 2.011 ( 14.763 0.000 -3.422) 15.154 2.011 ( 1.865 0.000 1.742) 2.552 2.064 ( -2.522 0.000 0.121) 2.525 2.130 ( -1.646 0.000 2.869) 3.308 2.200 ( 2.244 0.000 -0.692) 2.348 2.229 ( -2.129 0.000 -2.080) 2.976 2.362 ( 3.011 0.000 -0.125) 3.013 2.502 ( 3.064 0.000 2.788) 4.143 2.655 ( 3.077 0.000 -1.152) 3.286 2.696 ( 5.162 0.000 -0.990) 5.256 2.826 ( 0.377 0.000 0.393) 0.544 2.876 ( 4.588 0.000 -0.907) 4.677 2.893 ( 1.179 0.000 0.116) 1.185 2.917 ( 0.110 0.000 0.476) 0.489 3.104 ( -2.224 0.000 -2.801) 3.576 3.158 ( -1.701 0.000 3.350) 3.757 3.367 ( -0.970 0.000 -3.306) 3.445 3.410 ( -2.836 0.000 2.587) 3.839 3.419 ( -6.492 0.000 -1.510) 6.665 3.437 ( -5.512 0.000 2.092) 5.896 3.682 ( -4.656 0.000 -1.728) 4.967 3.752 ( -3.057 0.000 2.393) 3.882 3.891 ( -0.529 0.000 1.623) 1.707 3.910 ( 0.107 0.000 -1.839) 1.842 4.087 ( 0.228 0.000 -0.562) 0.607 4.091 ( 0.648 0.000 0.342) 0.733 4.133 ( 3.151 0.000 1.099) 3.337 4.260 ( 5.265 0.000 -0.485) 5.288 4.292 ( -5.828 0.000 3.104) 6.603 4.406 ( 0.852 0.000 -0.496) 0.986 4.653 ( 3.262 0.000 -4.416) 5.490 4.739 ( 5.755 0.000 2.289) 6.194 4.813 ( -8.862 0.000 -1.620) 9.009 4.816 ( 4.864 0.000 -0.182) 4.868 5.191 ( -1.412 0.000 -7.443) 7.576 5.206 ( -0.190 0.000 8.358) 8.360 5.536 ( 1.173 0.000 0.399) 1.240 5.550 ( 2.369 0.000 0.050) 2.369 5.808 ( -6.397 0.000 -0.298) 6.404 5.816 ( -7.154 0.000 0.290) 7.160 6.290 ( 0.764 0.000 -0.201) 0.790 6.321 ( 0.134 0.000 0.156) 0.206 6.437 ( -2.579 0.000 -0.569) 2.641 6.439 ( -2.807 0.000 0.548) 2.860 6.675 ( -9.459 0.000 -1.509) 9.579 6.751 ( -8.229 0.000 2.459) 8.589 6.990 ( -2.182 0.000 0.116) 2.186 7.148 ( -1.115 0.000 -1.577) 1.932 7.552 ( -3.761 0.000 -0.472) 3.791 7.690 ( -4.614 0.000 -3.933) 6.062 7.735 ( 1.316 0.000 4.237) 4.436 7.881 ( -2.033 0.000 -0.206) 2.043 8.130 ( 9.142 0.000 -0.830) 9.179 8.169 ( 6.654 0.000 0.788) 6.700 8.317 ( 8.128 0.000 3.924) 9.026 8.351 ( 3.982 0.000 -2.870) 4.909 11.576 ( -0.437 0.000 -0.176) 0.471 11.585 ( -0.199 0.000 0.206) 0.286 11.659 ( -0.431 0.000 0.317) 0.535 11.659 ( -0.360 0.000 -0.495) 0.612 14.913 ( -2.620 0.000 -1.143) 2.858 14.923 ( -3.586 0.000 1.121) 3.757 15.061 ( 0.280 0.000 -0.076) 0.290 15.066 ( 0.103 0.000 0.031) 0.108 15.186 ( 2.316 0.000 0.322) 2.338 15.186 ( 2.367 0.000 -0.253) 2.381 15.251 ( 1.564 0.000 0.146) 1.571 15.282 ( -0.308 0.000 -0.243) 0.393 16.140 ( 2.528 0.000 1.811) 3.110 16.406 ( 5.457 0.000 -4.884) 7.323 16.511 ( 7.414 0.000 -0.553) 7.434 16.988 ( 4.415 0.000 4.579) 6.361 ======================= Grid point 84 (29/65) ======================= q-point: ( 0.38 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.872 ( 12.448 0.000 -0.305) 12.451 1.020 ( 13.964 0.000 -0.516) 13.974 1.119 ( 10.721 0.000 1.494) 10.825 1.137 ( 6.511 0.000 -1.100) 6.603 1.296 ( -5.994 0.000 3.400) 6.892 1.434 ( -6.368 0.000 -1.505) 6.543 1.491 ( -1.024 0.000 0.913) 1.372 1.501 ( -4.878 0.000 0.867) 4.954 1.625 ( -5.466 0.000 -0.096) 5.467 1.712 ( 5.637 0.000 -4.111) 6.977 1.833 ( 3.386 0.000 0.198) 3.392 1.901 ( 3.004 0.000 -0.273) 3.016 2.005 ( -3.184 0.000 0.996) 3.336 2.027 ( -1.312 0.000 1.370) 1.897 2.119 ( 0.143 0.000 -0.397) 0.422 2.156 ( -2.333 0.000 -1.750) 2.917 2.270 ( 4.543 0.000 2.657) 5.263 2.277 ( 10.676 0.000 -0.608) 10.693 2.450 ( 4.696 0.000 -0.956) 4.792 2.508 ( -2.906 0.000 0.560) 2.959 2.691 ( 0.908 0.000 0.618) 1.098 2.749 ( 1.542 0.000 -1.203) 1.956 2.831 ( -0.118 0.000 0.506) 0.520 2.903 ( -1.599 0.000 -0.552) 1.691 2.962 ( 4.515 0.000 0.687) 4.566 2.968 ( 3.655 0.000 -0.626) 3.709 3.055 ( 0.115 0.000 -1.808) 1.812 3.114 ( -3.031 0.000 1.928) 3.592 3.304 ( -2.698 0.000 -0.782) 2.809 3.311 ( -6.717 0.000 -0.012) 6.717 3.358 ( -0.090 0.000 -2.770) 2.771 3.414 ( -0.163 0.000 2.094) 2.100 3.622 ( 0.294 0.000 -1.114) 1.152 3.668 ( -6.334 0.000 3.187) 7.090 3.925 ( 0.535 0.000 0.315) 0.621 3.938 ( 4.159 0.000 -0.521) 4.192 4.076 ( -0.653 0.000 -1.103) 1.282 4.088 ( -4.832 0.000 1.295) 5.003 4.163 ( -0.593 0.000 -0.995) 1.158 4.175 ( 0.945 0.000 0.686) 1.167 4.416 ( 6.335 0.000 0.044) 6.335 4.429 ( 2.116 0.000 0.383) 2.151 4.612 ( -7.814 0.000 0.034) 7.814 4.623 ( -3.763 0.000 -0.223) 3.769 4.907 ( 6.215 0.000 0.766) 6.262 4.914 ( 4.920 0.000 -0.661) 4.964 5.152 ( 1.057 0.000 -4.549) 4.670 5.190 ( -4.500 0.000 4.121) 6.102 5.551 ( 0.644 0.000 0.853) 1.069 5.574 ( 0.849 0.000 -0.675) 1.085 5.698 ( -4.798 0.000 -0.097) 4.799 5.698 ( -4.800 0.000 0.060) 4.800 6.290 ( -0.428 0.000 -0.275) 0.508 6.299 ( -2.039 0.000 0.237) 2.052 6.409 ( -0.277 0.000 -0.209) 0.348 6.410 ( -0.329 0.000 0.049) 0.333 6.548 ( -3.141 0.000 -0.267) 3.152 6.628 ( -5.202 0.000 0.387) 5.216 7.009 ( 2.663 0.000 1.518) 3.065 7.139 ( 0.391 0.000 -1.273) 1.332 7.487 ( -2.795 0.000 1.133) 3.016 7.578 ( -3.632 0.000 -3.228) 4.859 7.742 ( -2.339 0.000 2.840) 3.679 7.810 ( -3.866 0.000 -1.196) 4.047 8.267 ( 5.549 0.000 -0.402) 5.563 8.280 ( 4.481 0.000 0.559) 4.515 8.387 ( 1.050 0.000 -1.467) 1.804 8.398 ( -0.454 0.000 1.574) 1.639 11.572 ( 0.054 0.000 0.010) 0.055 11.584 ( -0.015 0.000 -0.079) 0.081 11.647 ( -0.461 0.000 -0.218) 0.510 11.649 ( -0.648 0.000 0.261) 0.699 14.872 ( -1.172 0.000 -0.537) 1.289 14.874 ( -1.932 0.000 0.567) 2.013 15.064 ( 0.159 0.000 -0.178) 0.239 15.067 ( -0.099 0.000 0.160) 0.188 15.231 ( 2.190 0.000 -0.284) 2.208 15.231 ( 1.945 0.000 0.404) 1.986 15.271 ( 0.369 0.000 0.043) 0.371 15.280 ( -0.082 0.000 -0.120) 0.145 16.203 ( 2.118 0.000 2.764) 3.482 16.419 ( 1.312 0.000 -8.965) 9.061 16.665 ( 5.182 0.000 8.502) 9.957 17.026 ( -0.135 0.000 -2.143) 2.148 ======================= Grid point 85 (30/65) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.138 ( 12.192 0.000 4.899) 13.139 1.168 ( -6.274 0.000 3.636) 7.251 1.214 ( 2.141 0.000 -1.198) 2.454 1.237 ( -11.212 0.000 -3.365) 11.706 1.240 ( -3.825 0.000 0.819) 3.911 1.261 ( 9.899 0.000 -0.764) 9.928 1.430 ( -2.531 0.000 0.347) 2.554 1.460 ( 0.911 0.000 -2.164) 2.348 1.591 ( 0.023 0.000 3.696) 3.696 1.696 ( -1.919 0.000 -5.675) 5.990 1.916 ( 4.237 0.000 2.600) 4.971 1.952 ( -2.598 0.000 0.713) 2.694 1.959 ( 2.289 0.000 -0.682) 2.389 1.967 ( -3.387 0.000 -1.199) 3.593 2.124 ( 0.332 0.000 -1.179) 1.225 2.125 ( 1.213 0.000 -2.153) 2.471 2.376 ( -1.560 0.000 7.124) 7.293 2.388 ( -1.579 0.000 2.025) 2.568 2.437 ( -0.788 0.000 -2.077) 2.222 2.499 ( 3.044 0.000 -4.516) 5.447 2.706 ( 0.372 0.000 1.361) 1.411 2.748 ( -0.185 0.000 -2.237) 2.245 2.843 ( 0.928 0.000 1.384) 1.666 2.872 ( -0.560 0.000 -1.121) 1.253 2.984 ( 0.119 0.000 -0.352) 0.372 2.998 ( 0.057 0.000 -1.239) 1.240 3.093 ( -4.382 0.000 4.066) 5.978 3.132 ( 5.786 0.000 2.690) 6.381 3.222 ( -4.040 0.000 -3.698) 5.476 3.240 ( 2.591 0.000 -3.139) 4.071 3.380 ( 2.499 0.000 1.199) 2.772 3.387 ( -3.259 0.000 0.360) 3.278 3.598 ( -2.016 0.000 2.576) 3.271 3.658 ( 3.108 0.000 -2.836) 4.207 3.908 ( -2.412 0.000 4.972) 5.526 4.006 ( 1.713 0.000 -3.883) 4.244 4.031 ( 0.090 0.000 0.306) 0.319 4.039 ( -0.160 0.000 -0.416) 0.445 4.181 ( 0.584 0.000 0.191) 0.615 4.184 ( -0.776 0.000 -0.120) 0.785 4.468 ( -1.779 0.000 1.054) 2.068 4.494 ( 1.590 0.000 -1.291) 2.048 4.533 ( 1.924 0.000 1.352) 2.352 4.556 ( -1.632 0.000 -0.664) 1.762 4.967 ( -0.543 0.000 0.133) 0.560 4.970 ( 0.634 0.000 -0.151) 0.652 5.126 ( -3.169 0.000 1.936) 3.714 5.171 ( 3.235 0.000 -2.085) 3.848 5.576 ( -0.657 0.000 1.065) 1.252 5.597 ( 0.437 0.000 -0.835) 0.942 5.631 ( -0.298 0.000 0.026) 0.299 5.633 ( 0.316 0.000 -0.073) 0.324 6.277 ( -0.117 0.000 0.227) 0.255 6.283 ( 0.165 0.000 -0.271) 0.317 6.409 ( 0.079 0.000 0.018) 0.081 6.410 ( -0.017 0.000 -0.112) 0.113 6.535 ( 1.379 0.000 1.008) 1.708 6.558 ( -1.638 0.000 -1.083) 1.964 7.071 ( 1.540 0.000 2.463) 2.905 7.121 ( -1.475 0.000 -2.005) 2.489 7.469 ( 0.259 0.000 1.782) 1.801 7.524 ( 0.222 0.000 -3.303) 3.310 7.724 ( -0.192 0.000 2.055) 2.064 7.757 ( -0.007 0.000 -1.156) 1.156 8.334 ( 0.182 0.000 0.445) 0.481 8.341 ( -0.065 0.000 -0.262) 0.270 8.362 ( -1.675 0.000 1.205) 2.064 8.389 ( 1.352 0.000 -1.141) 1.770 11.575 ( 0.160 0.000 0.229) 0.280 11.581 ( -0.188 0.000 -0.307) 0.360 11.641 ( -0.164 0.000 0.124) 0.206 11.643 ( 0.214 0.000 -0.059) 0.222 14.855 ( -0.344 0.000 0.298) 0.455 14.861 ( 0.367 0.000 -0.284) 0.464 15.065 ( -0.207 0.000 0.074) 0.220 15.066 ( 0.190 0.000 -0.071) 0.203 15.253 ( -0.512 0.000 0.448) 0.681 15.263 ( 1.148 0.000 -0.379) 1.209 15.270 ( -0.961 0.000 0.094) 0.965 15.273 ( 0.328 0.000 -0.142) 0.357 16.247 ( 0.196 0.000 4.181) 4.186 16.369 ( -0.998 0.000 -7.556) 7.622 16.803 ( 3.253 0.000 9.770) 10.297 16.974 ( -2.421 0.000 -6.379) 6.823 ======================= Grid point 86 (31/65) ======================= q-point: (-0.38 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.946 ( -14.961 0.000 -5.760) 16.032 1.015 ( -12.570 0.000 0.368) 12.576 1.108 ( -6.350 0.000 1.713) 6.577 1.141 ( -9.626 0.000 -0.606) 9.645 1.364 ( 6.285 0.000 5.329) 8.240 1.375 ( 5.120 0.000 -3.688) 6.310 1.492 ( 5.630 0.000 0.762) 5.681 1.497 ( 1.029 0.000 1.477) 1.800 1.618 ( 0.600 0.000 2.395) 2.469 1.644 ( 0.530 0.000 -2.501) 2.556 1.865 ( -4.142 0.000 -2.514) 4.845 1.900 ( -2.727 0.000 0.750) 2.829 2.021 ( 3.609 0.000 1.887) 4.072 2.023 ( 3.264 0.000 -0.721) 3.342 2.124 ( -3.280 0.000 1.560) 3.632 2.140 ( 1.449 0.000 -2.670) 3.038 2.242 ( -8.598 0.000 1.771) 8.778 2.293 ( -5.858 0.000 0.658) 5.895 2.463 ( -0.308 0.000 -1.529) 1.559 2.506 ( -0.855 0.000 0.562) 1.023 2.716 ( -0.881 0.000 1.575) 1.805 2.729 ( -0.860 0.000 -2.356) 2.508 2.860 ( 0.190 0.000 -2.108) 2.117 2.878 ( 1.249 0.000 1.774) 2.170 2.961 ( -4.598 0.000 0.298) 4.608 2.969 ( -3.306 0.000 -0.195) 3.312 3.035 ( -0.097 0.000 -0.183) 0.207 3.136 ( 0.516 0.000 0.264) 0.580 3.303 ( 3.404 0.000 -0.651) 3.466 3.312 ( 8.952 0.000 -0.422) 8.962 3.315 ( -2.573 0.000 0.794) 2.693 3.429 ( 1.686 0.000 0.321) 1.717 3.616 ( 2.716 0.000 0.239) 2.727 3.715 ( 4.161 0.000 -0.518) 4.193 3.916 ( 0.245 0.000 1.061) 1.089 3.931 ( -4.958 0.000 -0.312) 4.968 4.059 ( 1.553 0.000 0.452) 1.617 4.105 ( 3.065 0.000 -0.286) 3.078 4.147 ( -0.818 0.000 0.301) 0.872 4.183 ( 0.004 0.000 -0.117) 0.117 4.421 ( -2.545 0.000 -0.230) 2.556 4.432 ( -4.594 0.000 0.199) 4.598 4.618 ( 6.609 0.000 -0.499) 6.628 4.620 ( 4.519 0.000 0.048) 4.519 4.901 ( -5.684 0.000 0.527) 5.709 4.921 ( -5.352 0.000 -0.543) 5.380 5.087 ( -2.329 0.000 1.196) 2.618 5.254 ( 5.862 0.000 -1.591) 6.074 5.551 ( -0.914 0.000 1.248) 1.547 5.567 ( -1.044 0.000 -0.671) 1.241 5.697 ( 4.701 0.000 0.000) 4.701 5.699 ( 4.870 0.000 -0.060) 4.870 6.288 ( 0.800 0.000 -0.082) 0.804 6.301 ( 1.517 0.000 0.087) 1.519 6.407 ( -0.004 0.000 -0.032) 0.032 6.412 ( 0.672 0.000 -0.143) 0.687 6.559 ( 2.725 0.000 -1.296) 3.017 6.610 ( 5.288 0.000 1.849) 5.602 7.070 ( -1.192 0.000 -3.731) 3.917 7.087 ( -1.220 0.000 3.405) 3.617 7.521 ( 3.684 0.000 2.209) 4.295 7.537 ( 2.902 0.000 -3.675) 4.683 7.769 ( 3.068 0.000 2.754) 4.123 7.792 ( 3.463 0.000 -1.921) 3.960 8.261 ( -5.673 0.000 0.073) 5.674 8.283 ( -4.578 0.000 0.227) 4.584 8.363 ( -1.739 0.000 0.650) 1.856 8.419 ( 0.929 0.000 -0.400) 1.012 11.575 ( -0.195 0.000 -0.281) 0.343 11.580 ( 0.129 0.000 0.307) 0.333 11.645 ( 0.401 0.000 0.046) 0.404 11.654 ( 0.795 0.000 -0.136) 0.807 14.863 ( 1.054 0.000 0.215) 1.076 14.883 ( 2.087 0.000 -0.242) 2.101 15.061 ( -0.134 0.000 0.020) 0.136 15.069 ( 0.032 0.000 0.004) 0.033 15.225 ( -2.119 0.000 0.185) 2.127 15.237 ( -2.134 0.000 -0.109) 2.137 15.274 ( 0.088 0.000 -0.282) 0.295 15.276 ( -0.220 0.000 0.213) 0.306 16.259 ( -2.316 0.000 5.945) 6.380 16.292 ( -2.575 0.000 -5.922) 6.457 16.854 ( -5.248 0.000 -8.936) 10.363 16.911 ( 2.033 0.000 8.882) 9.111 ======================= Grid point 87 (32/65) ======================= q-point: (-0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 65 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.611 ( -15.938 0.000 -3.202) 16.257 0.704 ( -18.517 0.000 -0.227) 18.518 0.901 ( -13.273 0.000 -2.028) 13.427 1.026 ( -3.436 0.000 -2.410) 4.198 1.312 ( -14.325 0.000 5.848) 15.473 1.384 ( -10.059 0.000 -0.695) 10.083 1.517 ( 1.339 0.000 -0.609) 1.470 1.537 ( 2.852 0.000 0.753) 2.950 1.679 ( 4.269 0.000 -0.695) 4.326 1.712 ( 3.369 0.000 2.047) 3.942 1.795 ( -0.893 0.000 -1.703) 1.923 1.855 ( -2.196 0.000 -0.011) 2.197 1.944 ( -9.385 0.000 2.005) 9.597 2.034 ( -3.769 0.000 -0.723) 3.838 2.079 ( 2.845 0.000 -0.831) 2.964 2.135 ( 0.150 0.000 1.737) 1.743 2.204 ( 0.468 0.000 0.157) 0.494 2.231 ( -0.419 0.000 -2.645) 2.678 2.394 ( -4.305 0.000 -2.621) 5.040 2.505 ( -0.986 0.000 3.308) 3.452 2.661 ( -4.737 0.000 -2.172) 5.211 2.671 ( -5.018 0.000 1.050) 5.126 2.848 ( -0.256 0.000 -1.603) 1.623 2.853 ( -3.944 0.000 1.204) 4.124 2.898 ( -2.112 0.000 -0.294) 2.133 2.917 ( 0.245 0.000 0.497) 0.554 3.061 ( 2.073 0.000 0.858) 2.243 3.186 ( 2.618 0.000 0.643) 2.696 3.325 ( 2.921 0.000 0.211) 2.928 3.393 ( 5.934 0.000 1.045) 6.025 3.444 ( 3.689 0.000 -0.052) 3.690 3.459 ( 2.118 0.000 -0.715) 2.235 3.690 ( 3.724 0.000 -1.749) 4.114 3.784 ( 2.314 0.000 0.024) 2.314 3.874 ( 1.689 0.000 1.225) 2.087 3.923 ( 1.027 0.000 -1.268) 1.632 4.082 ( 1.165 0.000 0.030) 1.165 4.094 ( -0.753 0.000 -0.038) 0.754 4.164 ( -2.266 0.000 -2.017) 3.034 4.220 ( 3.173 0.000 3.800) 4.950 4.373 ( -0.384 0.000 -3.034) 3.059 4.378 ( -1.743 0.000 2.334) 2.913 4.598 ( -8.893 0.000 -1.122) 8.964 4.772 ( 6.696 0.000 1.136) 6.792 4.784 ( -5.393 0.000 -1.026) 5.490 4.816 ( -2.920 0.000 -0.416) 2.949 5.073 ( 1.115 0.000 3.680) 3.845 5.344 ( 4.388 0.000 -4.053) 5.973 5.539 ( -1.842 0.000 1.118) 2.155 5.541 ( -1.900 0.000 -0.150) 1.906 5.805 ( 6.369 0.000 -0.028) 6.369 5.819 ( 7.241 0.000 0.046) 7.241 6.293 ( -0.373 0.000 -0.522) 0.642 6.314 ( -0.704 0.000 0.690) 0.986 6.428 ( 2.535 0.000 0.209) 2.544 6.448 ( 2.877 0.000 -0.246) 2.888 6.663 ( 8.767 0.000 -0.428) 8.778 6.760 ( 9.151 0.000 1.418) 9.260 7.057 ( 3.147 0.000 -5.417) 6.264 7.098 ( 0.984 0.000 3.085) 3.238 7.569 ( 1.890 0.000 -2.322) 2.993 7.626 ( 4.952 0.000 2.594) 5.590 7.812 ( -1.031 0.000 -3.330) 3.486 7.857 ( 3.667 0.000 2.325) 4.342 8.121 ( -9.216 0.000 -0.161) 9.218 8.169 ( -7.352 0.000 0.698) 7.385 8.292 ( -5.953 0.000 2.492) 6.454 8.389 ( -4.042 0.000 -2.289) 4.646 11.574 ( 0.312 0.000 -0.054) 0.316 11.585 ( 0.318 0.000 0.174) 0.362 11.653 ( 0.335 0.000 0.061) 0.340 11.667 ( 0.580 0.000 -0.391) 0.700 14.896 ( 2.104 0.000 0.358) 2.134 14.939 ( 3.826 0.000 -0.367) 3.843 15.060 ( 0.070 0.000 -0.071) 0.100 15.065 ( -0.492 0.000 0.115) 0.505 15.182 ( -2.326 0.000 0.174) 2.332 15.191 ( -2.378 0.000 -0.131) 2.382 15.263 ( -0.999 0.000 -0.862) 1.319 15.271 ( -0.316 0.000 0.731) 0.796 16.204 ( -3.016 0.000 -4.343) 5.288 16.226 ( -5.254 0.000 7.140) 8.864 16.659 ( -9.033 0.000 -9.275) 12.946 16.990 ( 1.257 0.000 5.414) 5.558 ======================= Grid point 88 (33/65) ======================= q-point: (-0.12 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.340 ( -17.250 0.000 3.692) 17.641 0.359 ( -9.938 0.000 12.360) 15.859 0.640 ( -10.250 0.000 -3.573) 10.855 0.824 ( -14.805 0.000 -8.236) 16.942 0.945 ( -32.512 0.000 9.427) 33.851 1.121 ( -3.195 0.000 -3.630) 4.836 1.564 ( 1.635 0.000 -0.292) 1.661 1.574 ( 0.738 0.000 -0.019) 0.738 1.709 ( -1.780 0.000 0.527) 1.856 1.739 ( 0.479 0.000 0.936) 1.052 1.792 ( 1.310 0.000 -2.939) 3.218 1.819 ( -1.487 0.000 0.060) 1.488 1.893 ( 0.152 0.000 -2.386) 2.391 1.916 ( -6.967 0.000 2.018) 7.254 2.123 ( 2.016 0.000 -0.470) 2.070 2.165 ( 1.104 0.000 0.386) 1.170 2.199 ( -1.642 0.000 1.501) 2.224 2.217 ( 0.670 0.000 -2.828) 2.906 2.316 ( -2.546 0.000 0.730) 2.648 2.465 ( -3.355 0.000 -2.686) 4.298 2.565 ( -3.646 0.000 1.600) 3.982 2.567 ( -4.343 0.000 0.738) 4.405 2.821 ( -0.484 0.000 0.598) 0.769 2.837 ( 0.021 0.000 -0.762) 0.762 2.889 ( 0.498 0.000 0.154) 0.521 2.916 ( -0.549 0.000 -0.339) 0.645 3.103 ( 1.182 0.000 1.722) 2.088 3.196 ( -1.619 0.000 -1.519) 2.221 3.406 ( 5.160 0.000 0.319) 5.170 3.441 ( -1.552 0.000 0.504) 1.632 3.535 ( 5.407 0.000 -2.004) 5.767 3.537 ( 7.664 0.000 2.291) 7.999 3.739 ( 2.344 0.000 1.760) 2.931 3.798 ( -0.292 0.000 -0.288) 0.410 3.938 ( -0.984 0.000 -4.655) 4.758 3.983 ( 5.228 0.000 -0.405) 5.244 4.039 ( -5.281 0.000 -4.778) 7.122 4.090 ( -0.236 0.000 0.050) 0.241 4.134 ( 1.825 0.000 0.496) 1.891 4.281 ( -12.860 0.000 2.949) 13.193 4.302 ( -0.494 0.000 2.090) 2.148 4.353 ( -3.024 0.000 2.008) 3.630 4.451 ( 5.733 0.000 -2.349) 6.196 4.654 ( -4.026 0.000 -1.528) 4.307 4.724 ( -5.324 0.000 -0.500) 5.347 4.972 ( 9.928 0.000 5.194) 11.204 5.164 ( 3.817 0.000 3.533) 5.201 5.326 ( -3.858 0.000 -12.411) 12.996 5.487 ( -3.475 0.000 0.302) 3.488 5.491 ( -3.122 0.000 0.081) 3.123 5.918 ( 4.563 0.000 0.050) 4.563 5.943 ( 4.576 0.000 -0.063) 4.576 6.275 ( -0.657 0.000 -0.341) 0.740 6.290 ( -1.931 0.000 0.740) 2.068 6.494 ( 3.270 0.000 0.240) 3.279 6.504 ( 2.762 0.000 -0.211) 2.770 6.875 ( 12.586 0.000 0.433) 12.593 6.961 ( 10.032 0.000 -1.459) 10.138 7.137 ( 8.863 0.000 -4.588) 9.980 7.180 ( 5.784 0.000 1.677) 6.022 7.576 ( -1.501 0.000 1.213) 1.930 7.626 ( -11.852 0.000 -1.391) 11.933 7.729 ( -3.447 0.000 0.715) 3.521 7.900 ( -0.175 0.000 -0.791) 0.810 7.949 ( -4.278 0.000 0.411) 4.298 8.023 ( -8.768 0.000 -0.961) 8.821 8.172 ( -16.296 0.000 -10.640) 19.462 8.177 ( -8.263 0.000 3.226) 8.870 11.584 ( 0.527 0.000 0.122) 0.541 11.592 ( 0.281 0.000 -0.017) 0.281 11.657 ( 0.052 0.000 0.047) 0.070 11.668 ( -0.203 0.000 -0.670) 0.700 14.951 ( 3.341 0.000 1.727) 3.761 15.012 ( 3.193 0.000 -0.413) 3.219 15.051 ( -1.052 0.000 0.647) 1.235 15.065 ( 0.736 0.000 -0.490) 0.885 15.145 ( -1.433 0.000 0.209) 1.448 15.151 ( -1.442 0.000 -0.207) 1.457 15.222 ( -2.470 0.000 -1.540) 2.910 15.281 ( 0.330 0.000 1.755) 1.785 16.140 ( -0.888 0.000 -2.339) 2.501 16.154 ( -4.496 0.000 4.594) 6.428 16.409 ( -10.971 0.000 -6.133) 12.569 16.966 ( -7.713 0.000 -9.305) 12.086 ======================= Grid point 89 (34/65) ======================= q-point: ( 0.00 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.480 ( -6.935 14.411 9.245) 18.473 0.512 ( 2.932 10.941 13.009) 17.249 0.681 ( 2.217 9.887 -8.142) 12.998 0.709 ( 0.380 17.112 -3.752) 17.522 0.806 ( 0.627 21.006 7.377) 22.273 1.042 ( 1.467 1.301 -9.843) 10.037 1.572 ( -0.462 -1.231 0.195) 1.330 1.577 ( 0.538 -1.372 -0.235) 1.493 1.680 ( 3.207 0.428 1.584) 3.603 1.726 ( -3.169 0.719 -2.203) 3.926 1.758 ( -4.904 -0.011 4.314) 6.531 1.844 ( 3.055 1.047 -3.669) 4.887 1.895 ( 1.033 3.930 0.164) 4.066 1.914 ( -0.191 6.315 -1.325) 6.455 2.165 ( 2.121 0.611 1.970) 2.959 2.178 ( -1.572 0.640 1.326) 2.154 2.212 ( 0.266 1.720 -1.266) 2.152 2.220 ( -0.405 1.173 -1.245) 1.758 2.385 ( 1.209 2.295 2.713) 3.754 2.440 ( -1.838 -0.006 -2.175) 2.848 2.834 ( -1.731 19.168 4.260) 19.712 2.845 ( 0.676 4.452 0.843) 4.581 2.856 ( -0.043 5.911 1.314) 6.055 2.901 ( -0.323 0.622 0.272) 0.752 2.904 ( -0.482 1.811 -0.263) 1.892 3.055 ( 4.637 10.436 -9.408) 14.796 3.155 ( 0.588 2.510 -0.777) 2.692 3.203 ( -0.576 14.027 -7.822) 16.071 3.417 ( -3.568 -3.660 0.515) 5.137 3.443 ( -2.435 -3.738 -1.384) 4.671 3.547 ( -8.754 -1.720 1.609) 9.065 3.590 ( 3.656 -2.895 -2.701) 5.389 3.708 ( 1.958 -4.527 1.199) 5.075 3.751 ( 1.755 -1.385 -2.955) 3.706 3.886 ( -2.965 1.801 4.118) 5.385 3.938 ( 5.877 -0.816 -0.375) 5.945 4.034 ( 0.670 0.366 -0.213) 0.793 4.040 ( -1.411 -1.404 -0.583) 2.074 4.073 ( 1.879 -2.731 2.770) 4.320 4.148 ( 4.365 0.003 -4.215) 6.068 4.275 ( -5.994 0.514 1.064) 6.109 4.325 ( 3.299 0.111 -3.375) 4.721 4.570 ( -6.125 -2.302 3.127) 7.253 4.595 ( 4.646 -2.223 0.720) 5.201 4.746 ( 8.517 3.102 5.605) 10.657 4.852 ( -12.820 2.678 -4.452) 13.833 5.134 ( 3.377 -4.540 2.148) 6.052 5.158 ( 0.296 -3.389 -0.377) 3.422 5.510 ( 0.941 5.457 0.255) 5.544 5.518 ( -1.017 5.558 -0.438) 5.668 5.979 ( 1.075 0.300 1.119) 1.580 5.995 ( -0.831 0.950 -0.458) 1.342 6.324 ( 0.071 4.442 1.327) 4.637 6.378 ( 0.824 4.954 -4.067) 6.463 6.540 ( -1.591 0.630 0.711) 1.853 6.551 ( 0.760 1.209 -0.368) 1.474 7.128 ( -1.085 2.238 1.649) 2.984 7.193 ( 4.112 3.129 -4.958) 7.161 7.259 ( -6.977 -0.899 0.343) 7.043 7.268 ( 5.280 -0.606 -0.523) 5.340 7.364 ( -5.160 1.112 -1.193) 5.412 7.365 ( 1.647 0.789 -0.714) 1.961 7.616 ( 0.434 -2.528 2.260) 3.419 7.637 ( 1.282 -1.879 -0.341) 2.300 7.938 ( 5.828 -3.163 0.612) 6.659 7.950 ( -4.577 -2.023 -0.422) 5.022 8.000 ( -5.459 -2.256 0.243) 5.912 8.006 ( 5.298 -2.126 -0.210) 5.713 11.581 ( 0.093 -0.932 0.149) 0.948 11.585 ( -0.082 -0.929 -0.162) 0.947 11.644 ( -0.000 -1.340 0.085) 1.343 11.646 ( 0.090 -1.318 -0.043) 1.321 14.995 ( 0.816 -1.235 1.639) 2.209 15.020 ( -1.116 -1.201 -0.550) 1.729 15.034 ( -0.910 0.313 0.206) 0.984 15.046 ( 1.261 -0.904 -0.727) 1.714 15.225 ( -0.689 4.055 0.228) 4.120 15.231 ( 1.018 5.956 -0.344) 6.052 15.349 ( -4.148 8.041 4.020) 9.901 15.493 ( 7.995 10.690 -10.653) 17.079 16.137 ( 2.133 -1.845 0.447) 2.855 16.152 ( -3.132 -1.441 -1.200) 3.650 16.266 ( 8.877 -2.776 1.403) 9.407 16.282 ( -14.245 -2.815 0.157) 14.521 ======================= Grid point 90 (35/65) ======================= q-point: ( 0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 9.317 11.461 -1.779) 14.877 0.685 ( 9.162 12.470 5.543) 16.437 0.778 ( 7.110 6.797 -6.282) 11.672 0.825 ( 8.072 9.548 -2.675) 12.786 1.014 ( 17.132 10.585 6.082) 21.037 1.136 ( 13.739 4.794 -1.794) 14.662 1.553 ( -1.696 -1.364 0.064) 2.177 1.564 ( -1.130 -0.725 -0.299) 1.375 1.671 ( -1.096 -1.906 -2.621) 3.421 1.747 ( 0.539 -0.374 3.366) 3.429 1.748 ( 2.862 0.010 1.599) 3.278 1.883 ( 2.881 3.843 -2.316) 5.332 1.930 ( 1.449 2.796 0.804) 3.250 1.952 ( 4.093 4.520 -1.542) 6.290 2.148 ( -2.380 1.649 -2.312) 3.705 2.156 ( -1.522 0.507 1.548) 2.229 2.223 ( 1.013 2.942 1.917) 3.655 2.259 ( 2.297 1.027 -1.489) 2.923 2.369 ( -2.996 -0.322 -2.175) 3.717 2.438 ( 2.506 1.406 3.014) 4.164 2.772 ( -4.030 16.516 2.030) 17.121 2.833 ( -2.659 7.473 0.118) 7.933 2.853 ( -0.597 2.239 -0.800) 2.451 2.879 ( -0.699 5.938 -0.829) 6.036 2.898 ( -1.247 4.578 0.582) 4.780 2.926 ( -0.878 7.415 -2.032) 7.738 3.152 ( 0.051 2.678 2.196) 3.463 3.158 ( -0.497 1.714 -1.151) 2.124 3.398 ( -2.957 -2.258 -0.598) 3.769 3.419 ( 0.305 -3.496 1.253) 3.726 3.492 ( -3.404 -0.052 1.210) 3.614 3.573 ( -6.308 -3.784 -0.779) 7.397 3.749 ( -0.491 -1.391 -2.016) 2.498 3.780 ( 0.463 -1.449 -0.283) 1.547 3.803 ( 5.057 -1.925 0.295) 5.419 3.971 ( -0.661 -1.582 0.053) 1.715 4.021 ( -2.970 2.713 -0.170) 4.026 4.081 ( 0.071 -1.873 0.057) 1.876 4.101 ( 1.491 -2.759 1.520) 3.486 4.186 ( -1.075 2.395 1.575) 3.062 4.289 ( 2.307 -7.298 -0.378) 7.663 4.390 ( 2.471 2.614 0.964) 3.724 4.586 ( 8.844 0.982 -4.526) 9.983 4.663 ( -0.136 -0.476 -0.763) 0.910 4.716 ( 2.023 3.334 -1.780) 4.287 4.943 ( -0.236 -4.061 6.087) 7.321 5.068 ( 0.736 -1.497 1.167) 2.036 5.225 ( 1.377 -4.715 -3.879) 6.259 5.532 ( 2.792 5.599 -0.297) 6.263 5.558 ( 3.200 5.458 0.502) 6.347 5.944 ( -3.890 1.537 -0.727) 4.246 5.965 ( -4.045 1.977 0.713) 4.558 6.307 ( -0.933 3.262 -0.536) 3.435 6.334 ( -1.464 2.636 0.201) 3.022 6.504 ( -2.798 0.911 0.386) 2.968 6.534 ( -3.490 2.056 -0.238) 4.058 6.908 ( -11.700 0.389 1.276) 11.775 6.917 ( -13.471 0.510 -1.108) 13.526 7.105 ( -9.876 -0.700 0.030) 9.901 7.211 ( -5.525 -1.013 -2.297) 6.068 7.550 ( 9.490 -2.954 1.847) 10.110 7.588 ( 2.621 -1.190 -0.848) 3.001 7.744 ( 6.866 -5.094 -0.931) 8.600 7.799 ( 5.399 -3.952 0.990) 6.764 7.910 ( 7.764 -0.863 -1.401) 7.937 7.961 ( 7.263 -0.540 1.562) 7.449 8.094 ( 7.645 -1.738 -0.327) 7.847 8.199 ( 10.312 -4.952 -1.001) 11.484 11.578 ( -0.473 -0.941 -0.183) 1.069 11.580 ( -0.315 -0.930 0.230) 1.008 11.645 ( 0.072 -1.469 -0.084) 1.473 11.651 ( 0.193 -1.388 -0.189) 1.414 14.973 ( -3.150 -1.022 -0.257) 3.321 14.983 ( -2.575 -0.168 0.746) 2.686 15.035 ( 0.681 -0.616 -0.267) 0.956 15.061 ( 0.674 -0.313 -0.126) 0.754 15.216 ( 0.152 4.997 0.090) 5.000 15.246 ( -2.837 6.257 -0.337) 6.878 15.263 ( 0.819 6.530 0.735) 6.622 15.423 ( -5.566 8.272 -1.565) 10.093 16.097 ( -0.432 -0.691 0.950) 1.252 16.238 ( 7.875 -3.063 -0.550) 8.468 16.320 ( 10.840 -3.832 -5.886) 12.917 16.633 ( 16.799 -9.248 6.206) 20.155 ======================= Grid point 91 (36/65) ======================= q-point: ( 0.25 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.733 ( 11.273 3.621 -7.284) 13.902 0.858 ( 9.818 9.505 -2.642) 13.918 0.939 ( 11.111 8.603 3.954) 14.598 0.994 ( 8.330 2.641 1.668) 8.896 1.362 ( 4.790 4.003 3.959) 7.392 1.406 ( 16.099 3.185 -2.369) 16.582 1.502 ( -1.818 0.208 0.368) 1.866 1.540 ( -0.796 -0.034 0.079) 0.801 1.625 ( -2.778 -2.281 -1.498) 3.894 1.728 ( -4.116 -0.850 1.056) 4.333 1.818 ( 3.174 0.979 0.435) 3.350 1.935 ( 0.523 8.108 0.624) 8.149 1.980 ( 4.370 -0.940 0.441) 4.492 2.058 ( 9.581 1.892 -2.364) 10.048 2.091 ( -2.897 2.263 -0.404) 3.698 2.164 ( 0.680 1.003 1.836) 2.199 2.206 ( -2.573 3.188 -0.203) 4.101 2.263 ( -0.233 2.531 -1.452) 2.927 2.354 ( 3.098 -0.862 -0.021) 3.215 2.501 ( 1.458 -0.660 1.189) 1.993 2.748 ( -0.738 8.949 0.661) 9.003 2.792 ( -0.429 4.717 -0.523) 4.765 2.839 ( -0.180 1.138 -0.085) 1.155 2.896 ( 2.039 1.860 0.520) 2.808 2.924 ( 2.070 3.303 0.729) 3.966 2.941 ( 3.014 5.078 -1.578) 6.112 3.102 ( -3.043 0.889 -1.318) 3.433 3.177 ( -0.987 1.946 1.733) 2.786 3.339 ( -1.355 -2.516 -1.487) 3.221 3.384 ( -5.285 -2.026 0.742) 5.709 3.431 ( -2.457 0.978 1.250) 2.925 3.469 ( -3.498 1.907 -0.683) 4.042 3.697 ( -3.522 1.740 -1.366) 4.159 3.790 ( -2.255 2.705 1.194) 3.719 3.836 ( 0.871 -3.608 0.641) 3.767 3.899 ( -2.039 -1.228 -0.270) 2.396 4.014 ( 1.166 -6.353 -0.407) 6.472 4.089 ( 0.225 -1.987 0.756) 2.138 4.149 ( 2.603 0.138 0.406) 2.638 4.261 ( 2.627 0.836 0.705) 2.846 4.275 ( -0.761 -2.524 1.745) 3.162 4.385 ( -1.132 -0.266 -1.278) 1.728 4.648 ( 0.513 0.675 -2.716) 2.846 4.752 ( 4.348 1.687 2.272) 5.188 4.779 ( 2.597 0.526 -1.145) 2.886 4.830 ( -3.143 -0.849 -0.599) 3.310 5.147 ( 0.986 -3.096 -1.002) 3.401 5.212 ( 0.045 -1.283 1.423) 1.917 5.591 ( 2.424 6.035 0.270) 6.509 5.621 ( 2.476 6.347 0.158) 6.815 5.837 ( -6.027 2.602 -0.789) 6.612 5.850 ( -6.754 3.276 0.512) 7.524 6.299 ( -0.283 0.716 -0.328) 0.837 6.316 ( -1.439 -0.611 0.302) 1.592 6.444 ( -2.942 0.848 0.576) 3.116 6.450 ( -3.313 1.099 -0.618) 3.544 6.673 ( -9.615 -0.119 -1.404) 9.718 6.739 ( -7.766 -1.016 2.055) 8.097 6.982 ( -2.628 -0.946 0.315) 2.810 7.126 ( -2.052 -2.490 -1.413) 3.522 7.542 ( -3.608 -0.974 -0.164) 3.741 7.666 ( -2.310 -2.740 -3.192) 4.800 7.699 ( -0.449 -3.324 3.378) 4.760 7.841 ( -1.057 -3.799 0.020) 3.943 8.112 ( 9.176 -1.784 -0.852) 9.386 8.149 ( 7.085 -1.875 0.844) 7.378 8.266 ( 7.823 -3.709 0.352) 8.664 8.336 ( 4.443 -2.642 0.200) 5.173 11.567 ( -0.455 -0.924 -0.162) 1.043 11.576 ( -0.244 -0.983 0.183) 1.030 11.643 ( -0.359 -1.494 -0.022) 1.537 11.647 ( -0.412 -1.330 -0.116) 1.397 14.910 ( -2.693 -0.023 -0.320) 2.712 14.931 ( -2.823 0.829 0.367) 2.965 15.044 ( 0.312 -1.112 -0.042) 1.156 15.071 ( 0.369 -0.007 -0.010) 0.369 15.228 ( 1.213 4.826 -0.062) 4.976 15.240 ( 1.562 4.445 0.112) 4.712 15.289 ( 1.133 3.814 -0.062) 3.979 15.350 ( -1.887 5.943 0.024) 6.235 16.134 ( 2.586 -0.479 1.735) 3.151 16.364 ( 5.631 -4.039 -5.179) 8.651 16.473 ( 7.375 -3.734 1.018) 8.329 16.883 ( 6.337 -9.936 2.942) 12.147 ======================= Grid point 92 (37/65) ======================= q-point: ( 0.38 0.12 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 11.679 5.612 -0.845) 12.985 1.076 ( 11.875 3.665 -0.323) 12.432 1.136 ( 7.875 2.605 -0.947) 8.348 1.177 ( 8.981 3.897 2.272) 10.050 1.323 ( -6.476 2.611 2.128) 7.300 1.445 ( -5.330 0.896 -1.241) 5.545 1.507 ( -4.450 0.350 1.010) 4.576 1.515 ( -1.467 1.904 0.655) 2.491 1.630 ( -3.358 0.675 0.480) 3.458 1.676 ( 5.787 -0.644 -2.629) 6.389 1.887 ( 3.095 1.182 -1.722) 3.733 1.952 ( 0.422 5.675 1.168) 5.809 2.009 ( -2.155 0.225 0.087) 2.168 2.036 ( -1.947 1.181 0.877) 2.440 2.130 ( -1.505 0.054 -0.948) 1.779 2.159 ( -1.446 0.221 -0.794) 1.665 2.268 ( 7.891 0.937 0.497) 7.962 2.317 ( 6.618 4.329 0.644) 7.934 2.440 ( 2.842 -1.307 -0.075) 3.129 2.501 ( -0.546 0.545 0.374) 0.858 2.730 ( -0.844 3.278 0.209) 3.392 2.789 ( -0.328 2.763 -0.692) 2.867 2.843 ( 0.295 1.126 0.558) 1.290 2.924 ( -0.552 2.093 -0.573) 2.240 2.978 ( 3.702 1.809 -0.229) 4.127 2.993 ( 0.816 1.982 -0.335) 2.170 3.057 ( 1.040 1.522 0.034) 1.844 3.139 ( -2.182 1.895 0.549) 2.941 3.282 ( -4.506 -0.573 0.100) 4.543 3.338 ( 1.404 1.547 -0.762) 2.224 3.380 ( -3.086 2.089 -2.758) 4.636 3.437 ( -0.749 2.270 1.846) 3.020 3.633 ( -1.386 1.150 -0.623) 1.906 3.677 ( -7.064 0.784 2.373) 7.493 3.898 ( 2.880 -2.349 0.653) 3.774 3.924 ( 3.297 -1.031 -0.122) 3.457 4.043 ( 0.829 -3.738 -0.525) 3.864 4.074 ( -3.047 -1.371 1.010) 3.491 4.160 ( -1.420 -1.720 -0.808) 2.373 4.198 ( -1.545 0.067 -0.041) 1.547 4.386 ( 5.037 -1.560 0.280) 5.281 4.403 ( 3.953 -1.408 -0.251) 4.203 4.590 ( -4.384 0.190 0.670) 4.439 4.650 ( -6.066 1.700 -0.486) 6.319 4.886 ( 4.616 -0.135 0.227) 4.624 4.909 ( 5.031 0.254 -0.349) 5.049 5.140 ( 0.744 -1.453 -2.680) 3.138 5.197 ( -3.460 -0.026 2.490) 4.263 5.621 ( 1.105 6.745 0.688) 6.869 5.645 ( 0.668 6.500 -0.492) 6.552 5.734 ( -4.018 3.925 -0.080) 5.617 5.753 ( -3.584 5.001 -0.054) 6.153 6.267 ( -2.697 -2.867 0.140) 3.939 6.279 ( -1.662 -1.959 -0.149) 2.573 6.415 ( -0.347 0.683 -0.134) 0.778 6.417 ( -0.330 0.873 -0.032) 0.934 6.548 ( -3.014 0.284 -0.068) 3.028 6.628 ( -4.471 0.382 0.261) 4.495 6.988 ( 2.059 -2.245 0.973) 3.198 7.099 ( -0.448 -4.123 -0.987) 4.263 7.482 ( -2.609 -0.480 1.281) 2.946 7.565 ( -3.310 -1.217 -3.087) 4.686 7.711 ( -1.547 -2.989 2.752) 4.348 7.789 ( -3.137 -2.214 -1.188) 4.019 8.245 ( 5.234 -2.193 -0.293) 5.683 8.259 ( 4.203 -2.068 0.408) 4.702 8.349 ( 1.594 -3.413 -0.762) 3.843 8.376 ( -0.643 -2.730 0.850) 2.931 11.562 ( -0.014 -0.999 0.020) 1.000 11.573 ( -0.064 -1.090 -0.079) 1.095 11.633 ( -0.517 -1.451 -0.025) 1.541 11.637 ( -0.570 -1.314 0.062) 1.434 14.870 ( -1.339 0.287 0.104) 1.373 14.887 ( -1.637 1.071 -0.152) 1.962 15.048 ( 0.095 -1.104 0.371) 1.169 15.074 ( -0.012 0.036 -0.298) 0.301 15.261 ( 1.922 3.728 0.011) 4.194 15.276 ( 1.847 3.951 0.045) 4.362 15.304 ( 0.437 3.392 -0.218) 3.427 15.328 ( -0.842 4.578 0.201) 4.659 16.196 ( 2.117 -0.481 2.591) 3.381 16.389 ( 1.773 -2.894 -8.039) 8.726 16.626 ( 5.079 -4.015 7.756) 10.103 16.949 ( 1.009 -7.734 -2.219) 8.109 ======================= Grid point 93 (38/65) ======================= q-point: (-0.50 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.156 ( 10.198 2.537 3.041) 10.940 1.190 ( -7.666 2.534 1.507) 8.214 1.231 ( 2.730 1.944 -0.187) 3.356 1.250 ( -6.060 2.660 -2.325) 7.015 1.287 ( -0.789 2.780 1.215) 3.134 1.321 ( 3.565 4.951 -0.964) 6.177 1.434 ( -1.208 0.335 1.067) 1.646 1.468 ( 0.404 0.083 -1.875) 1.920 1.630 ( -0.433 3.723 3.649) 5.231 1.715 ( -0.062 1.587 -3.443) 3.791 1.922 ( 2.900 0.073 -0.256) 2.913 1.931 ( -3.925 -1.317 -0.624) 4.187 1.986 ( 1.548 2.453 1.001) 3.069 1.998 ( -1.527 2.481 -0.007) 2.913 2.114 ( 0.265 -0.698 -0.277) 0.796 2.143 ( 1.168 0.334 -2.955) 3.195 2.378 ( -2.123 0.536 3.180) 3.861 2.405 ( -1.928 -1.410 -0.509) 2.442 2.430 ( 2.138 3.559 2.783) 4.998 2.510 ( 1.127 1.624 -3.100) 3.677 2.733 ( 0.867 2.525 0.785) 2.783 2.764 ( -0.812 1.474 -1.977) 2.596 2.863 ( 1.168 1.632 1.703) 2.632 2.900 ( -0.688 2.355 -1.430) 2.839 2.985 ( -0.082 0.302 -0.010) 0.313 3.005 ( 0.386 0.764 -1.802) 1.995 3.101 ( -4.113 1.170 3.980) 5.842 3.151 ( 5.037 1.797 2.054) 5.729 3.239 ( -0.418 1.825 -2.518) 3.138 3.281 ( -0.665 3.649 -3.825) 5.328 3.390 ( -0.462 1.553 2.077) 2.635 3.414 ( -0.220 2.814 -0.259) 2.834 3.594 ( -1.519 -0.582 2.334) 2.845 3.648 ( 2.386 -1.184 -2.587) 3.713 3.911 ( -1.922 0.415 4.472) 4.885 3.989 ( 0.892 -1.972 -2.484) 3.295 4.024 ( -0.953 -0.422 0.556) 1.181 4.039 ( 1.437 0.239 -0.712) 1.622 4.156 ( 0.679 -4.632 0.437) 4.701 4.173 ( -0.913 -2.422 -1.112) 2.817 4.451 ( -0.339 -0.899 0.826) 1.267 4.467 ( 0.573 -1.739 -0.650) 1.943 4.541 ( -0.173 1.502 1.490) 2.123 4.570 ( 0.060 2.271 -1.156) 2.549 4.940 ( 0.295 -0.565 0.586) 0.866 4.955 ( -0.203 -0.305 -0.775) 0.857 5.133 ( -2.560 0.004 1.318) 2.880 5.163 ( 2.523 -1.309 -1.394) 3.165 5.655 ( -1.722 7.041 0.953) 7.311 5.674 ( 2.819 5.835 -0.628) 6.511 5.680 ( 1.887 5.309 0.116) 5.635 5.687 ( -3.065 6.009 -0.288) 6.752 6.244 ( 0.255 -3.395 0.476) 3.437 6.255 ( -0.213 -3.246 -0.478) 3.287 6.415 ( -0.023 0.623 0.022) 0.624 6.417 ( 0.055 0.631 -0.157) 0.653 6.538 ( 1.309 0.717 1.296) 1.977 6.567 ( -1.476 1.191 -1.287) 2.292 7.038 ( 1.062 -3.520 1.888) 4.133 7.078 ( -0.986 -4.453 -1.684) 4.862 7.465 ( 0.035 -0.388 1.832) 1.873 7.517 ( 0.255 -0.669 -3.024) 3.108 7.704 ( 0.062 -1.975 2.159) 2.927 7.742 ( -0.153 -1.678 -1.365) 2.168 8.306 ( 0.006 -2.793 0.533) 2.843 8.316 ( 0.131 -2.601 -0.388) 2.633 8.339 ( -1.602 -2.514 1.043) 3.159 8.361 ( 1.291 -2.888 -0.976) 3.311 11.564 ( 0.144 -1.094 0.225) 1.126 11.570 ( -0.170 -1.119 -0.292) 1.169 11.627 ( -0.064 -1.396 0.159) 1.407 11.630 ( 0.108 -1.340 -0.101) 1.348 14.859 ( -0.105 0.550 0.424) 0.702 14.869 ( 0.107 0.831 -0.481) 0.966 15.054 ( 0.138 -0.839 0.706) 1.105 15.069 ( -0.134 -0.195 -0.627) 0.671 15.288 ( -0.087 3.509 0.297) 3.523 15.296 ( 0.280 3.384 -0.452) 3.426 15.310 ( -1.212 4.010 0.217) 4.195 15.313 ( 1.015 4.004 -0.040) 4.130 16.239 ( 0.100 -0.718 3.844) 3.912 16.350 ( -0.759 -1.760 -6.926) 7.187 16.754 ( 2.746 -4.995 9.002) 10.655 16.912 ( -2.062 -6.321 -5.919) 8.902 ======================= Grid point 94 (39/65) ======================= q-point: (-0.38 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( -13.444 3.655 -4.426) 14.619 1.067 ( -8.990 1.748 1.129) 9.228 1.123 ( -10.297 4.019 0.166) 11.055 1.198 ( -7.401 4.797 0.537) 8.836 1.345 ( 5.674 0.753 1.328) 5.875 1.423 ( 5.826 1.974 -0.206) 6.155 1.519 ( 2.389 2.017 0.146) 3.130 1.524 ( 5.969 1.532 0.410) 6.176 1.602 ( -2.646 0.600 1.448) 3.075 1.671 ( -2.126 1.774 -1.904) 3.360 1.862 ( -2.369 1.450 -0.053) 2.778 1.951 ( -1.397 2.492 0.985) 3.022 2.016 ( 3.082 -0.102 -0.457) 3.118 2.052 ( 4.110 1.733 0.320) 4.472 2.135 ( 2.062 -0.170 -0.851) 2.237 2.152 ( -0.222 1.974 -0.957) 2.205 2.226 ( -10.988 -0.228 2.291) 11.227 2.339 ( -4.821 4.285 0.092) 6.451 2.447 ( -1.350 -1.186 -0.486) 1.861 2.506 ( -1.240 0.896 0.060) 1.531 2.752 ( 1.096 1.778 -1.228) 2.423 2.765 ( 0.882 3.776 0.808) 3.961 2.871 ( -0.853 0.997 -1.119) 1.724 2.902 ( 0.900 2.097 0.731) 2.397 2.965 ( -3.490 0.506 0.540) 3.568 2.995 ( -1.581 2.681 -0.402) 3.138 3.062 ( 0.850 2.787 -0.280) 2.927 3.148 ( -1.561 1.803 0.038) 2.385 3.302 ( 4.838 0.698 -1.360) 5.074 3.315 ( -1.212 0.384 1.059) 1.655 3.343 ( 3.772 1.897 -0.059) 4.223 3.448 ( 1.640 1.967 0.439) 2.598 3.629 ( 3.638 1.428 0.265) 3.917 3.717 ( 5.534 -0.057 -0.678) 5.576 3.900 ( -1.632 -1.161 0.771) 2.146 3.916 ( -4.873 -1.134 0.185) 5.006 4.038 ( 0.715 -2.290 -0.147) 2.403 4.078 ( 0.593 -3.254 0.672) 3.375 4.157 ( 1.192 -0.023 -0.861) 1.471 4.188 ( 1.808 -1.545 0.668) 2.470 4.396 ( -5.214 -1.969 0.246) 5.579 4.397 ( -3.407 -1.057 -0.487) 3.600 4.613 ( 4.899 0.330 -0.739) 4.965 4.633 ( 5.740 1.503 0.553) 5.960 4.887 ( -5.577 0.026 0.244) 5.582 4.907 ( -4.082 -0.061 -0.381) 4.100 5.097 ( -2.218 0.240 0.726) 2.346 5.240 ( 5.046 -1.756 -0.826) 5.406 5.627 ( -0.631 6.953 0.919) 7.042 5.637 ( -1.373 6.525 -0.578) 6.693 5.737 ( 3.576 4.248 -0.337) 5.563 5.750 ( 3.929 4.685 0.216) 6.118 6.268 ( 1.948 -2.327 0.092) 3.036 6.278 ( 2.381 -2.461 -0.129) 3.427 6.412 ( 0.051 0.767 0.050) 0.771 6.419 ( 0.617 0.758 -0.134) 0.986 6.563 ( 2.368 0.667 -1.444) 2.852 6.610 ( 4.958 0.292 1.831) 5.293 7.017 ( -2.008 -4.250 -0.559) 4.733 7.075 ( 0.715 -2.523 0.250) 2.634 7.509 ( 3.266 -1.034 2.210) 4.077 7.529 ( 2.598 -0.810 -3.226) 4.220 7.746 ( 2.472 -2.424 2.403) 4.215 7.765 ( 2.665 -2.614 -1.817) 4.152 8.240 ( -5.445 -2.124 0.064) 5.845 8.262 ( -4.193 -2.102 0.181) 4.694 8.334 ( -1.706 -2.889 0.318) 3.371 8.389 ( 0.618 -3.205 -0.129) 3.266 11.565 ( -0.118 -1.003 -0.267) 1.044 11.569 ( 0.176 -1.063 0.289) 1.115 11.632 ( 0.403 -1.371 0.042) 1.430 11.640 ( 0.752 -1.426 -0.118) 1.617 14.869 ( 1.010 0.654 0.167) 1.215 14.888 ( 1.961 0.564 -0.182) 2.049 15.058 ( -0.142 -0.417 -0.060) 0.445 15.065 ( 0.066 -0.509 0.075) 0.519 15.262 ( -1.920 3.794 -0.022) 4.252 15.276 ( -1.951 3.864 0.079) 4.329 15.301 ( -0.285 3.318 -0.074) 3.331 15.331 ( 0.801 4.656 0.039) 4.724 16.244 ( -2.464 -1.265 5.312) 5.990 16.280 ( -2.521 -1.176 -5.424) 6.096 16.795 ( -5.212 -5.980 -7.123) 10.661 16.842 ( 0.461 -6.795 7.200) 9.911 ======================= Grid point 95 (40/65) ======================= q-point: (-0.25 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.669 ( -14.736 5.798 -2.426) 16.021 0.839 ( -12.991 10.876 -0.909) 16.966 0.967 ( -7.788 4.769 0.635) 9.155 1.053 ( -5.483 4.013 -2.296) 7.172 1.327 ( -12.910 2.733 4.366) 13.900 1.429 ( -9.982 4.013 -1.612) 10.879 1.516 ( 1.149 0.371 -0.661) 1.376 1.536 ( 0.620 0.316 0.454) 0.832 1.619 ( 1.727 -1.349 -1.143) 2.472 1.710 ( 4.340 -2.783 1.757) 5.447 1.835 ( -0.085 3.220 -0.205) 3.227 1.931 ( -1.909 3.492 0.668) 4.036 1.967 ( -9.640 4.731 1.608) 10.859 2.028 ( -2.690 -0.645 -0.485) 2.808 2.108 ( 1.749 2.641 -1.559) 3.531 2.179 ( 0.393 -0.901 0.142) 0.994 2.192 ( 3.570 3.544 1.147) 5.159 2.274 ( -1.581 3.659 -1.958) 4.441 2.381 ( -3.869 -1.308 -2.170) 4.625 2.485 ( -1.201 -0.708 2.634) 2.980 2.772 ( 0.879 6.219 0.201) 6.284 2.776 ( 0.705 7.544 -0.425) 7.589 2.853 ( -0.005 0.539 -1.282) 1.390 2.893 ( -3.748 4.262 1.246) 5.811 2.904 ( -1.117 1.429 0.977) 2.060 2.941 ( -2.012 4.438 -0.827) 4.942 3.088 ( 2.121 4.092 -0.401) 4.627 3.181 ( 2.243 -0.457 1.323) 2.643 3.300 ( 1.865 -1.853 0.992) 2.810 3.400 ( 5.381 -0.001 0.389) 5.395 3.434 ( 2.150 -1.827 -0.221) 2.830 3.489 ( 2.993 2.624 -1.345) 4.201 3.715 ( 4.143 2.657 -2.304) 5.435 3.800 ( 1.355 1.141 0.487) 1.837 3.830 ( -1.705 -3.581 0.809) 4.048 3.898 ( 2.690 -1.759 0.060) 3.215 4.030 ( -0.934 -5.151 -1.684) 5.500 4.087 ( 0.766 -2.200 1.114) 2.583 4.161 ( -1.710 -0.967 -0.803) 2.122 4.243 ( 2.544 -1.480 2.886) 4.122 4.296 ( -4.344 -1.086 0.456) 4.501 4.377 ( 1.670 -0.232 -1.154) 2.043 4.625 ( -6.393 2.660 -1.213) 7.030 4.763 ( 3.311 0.931 0.727) 3.515 4.788 ( -4.169 -0.419 -1.459) 4.437 4.808 ( -0.778 0.255 1.055) 1.335 5.070 ( -0.223 -0.770 2.745) 2.860 5.302 ( 1.562 -3.898 -3.142) 5.244 5.600 ( -2.651 6.105 -0.484) 6.673 5.613 ( -2.218 6.576 0.886) 6.997 5.825 ( 5.691 2.217 0.146) 6.110 5.855 ( 6.788 3.283 0.003) 7.541 6.298 ( 0.627 0.266 -0.199) 0.710 6.317 ( 1.049 -0.023 0.224) 1.073 6.437 ( 2.784 1.026 0.465) 3.003 6.456 ( 3.500 0.901 -0.450) 3.642 6.662 ( 8.811 -0.034 -0.370) 8.819 6.751 ( 8.785 -0.860 0.932) 8.876 7.006 ( 2.027 -3.404 -0.899) 4.062 7.107 ( 3.000 -0.925 -0.461) 3.173 7.560 ( 1.816 -0.962 -1.956) 2.837 7.607 ( 4.516 -2.001 2.467) 5.522 7.768 ( -1.368 -4.131 -3.116) 5.352 7.820 ( 2.783 -3.618 2.203) 5.068 8.103 ( -9.087 -1.745 -0.188) 9.255 8.153 ( -7.295 -1.610 0.481) 7.486 8.256 ( -6.664 -3.278 0.813) 7.471 8.352 ( -4.828 -3.620 -0.641) 6.068 11.565 ( 0.335 -0.892 -0.064) 0.955 11.576 ( 0.363 -0.990 0.159) 1.067 11.640 ( 0.359 -1.353 0.049) 1.400 11.652 ( 0.468 -1.528 -0.296) 1.625 14.901 ( 2.070 0.505 0.290) 2.151 14.939 ( 3.338 0.194 -0.171) 3.348 15.051 ( -0.314 -0.856 -0.620) 1.103 15.065 ( -0.377 -0.098 0.512) 0.643 15.227 ( -1.300 4.657 -0.028) 4.835 15.240 ( -1.543 4.591 0.112) 4.845 15.289 ( -0.785 3.554 -0.078) 3.640 15.351 ( 1.580 6.227 -0.037) 6.425 16.193 ( -3.101 -0.984 -3.646) 4.886 16.208 ( -4.995 -1.714 5.883) 7.905 16.607 ( -8.950 -5.229 -8.093) 13.151 16.865 ( -2.975 -11.358 5.244) 12.859 ======================= Grid point 96 (41/65) ======================= q-point: (-0.12 0.12 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.435 ( -7.699 10.081 6.166) 14.103 0.627 ( -8.461 18.770 3.279) 20.848 0.805 ( -7.055 12.501 -3.074) 14.680 0.901 ( -10.874 8.109 -6.855) 15.199 1.028 ( -25.666 10.461 5.257) 28.210 1.100 ( -6.720 -0.012 0.328) 6.728 1.554 ( 1.981 -0.341 0.048) 2.010 1.561 ( 0.782 -1.539 -0.102) 1.730 1.637 ( 0.779 -0.917 0.470) 1.292 1.760 ( 0.682 -1.427 -0.266) 1.603 1.830 ( -1.768 0.052 -0.692) 1.899 1.847 ( -2.468 0.501 0.120) 2.522 1.934 ( -1.420 3.736 -0.561) 4.036 1.941 ( -3.500 7.747 -0.724) 8.531 2.125 ( 1.138 -0.002 -0.199) 1.155 2.179 ( -0.138 -1.044 0.471) 1.153 2.234 ( -1.892 1.373 -0.917) 2.511 2.250 ( 0.038 4.310 0.210) 4.315 2.338 ( 1.491 0.919 0.443) 1.807 2.472 ( -1.172 -0.656 0.140) 1.350 2.780 ( 1.283 14.688 1.837) 14.858 2.844 ( 3.082 6.397 -0.992) 7.170 2.853 ( -0.762 5.261 0.983) 5.406 2.863 ( 4.584 7.771 -1.649) 9.172 2.895 ( 0.215 1.258 0.556) 1.392 2.939 ( 3.197 7.385 -2.302) 8.370 3.132 ( 2.258 5.124 0.948) 5.679 3.193 ( -1.338 0.065 -0.738) 1.530 3.378 ( 5.297 -2.640 0.948) 5.994 3.424 ( -1.938 -2.072 0.329) 2.856 3.535 ( 4.417 -1.415 -1.724) 4.948 3.542 ( 7.689 -0.631 1.170) 7.803 3.728 ( -0.351 -0.608 0.669) 0.970 3.796 ( -1.127 -0.659 0.002) 1.305 3.855 ( -0.301 -5.244 -5.490) 7.598 3.968 ( 0.614 -3.079 0.335) 3.157 4.010 ( 1.739 -1.383 0.529) 2.284 4.096 ( -2.585 0.725 -1.779) 3.220 4.122 ( 1.405 -2.199 -0.467) 2.651 4.203 ( -8.941 -5.921 3.944) 11.426 4.295 ( 2.158 0.990 -3.832) 4.508 4.409 ( -10.264 4.680 6.357) 12.948 4.456 ( 4.909 0.784 -1.846) 5.303 4.672 ( -4.159 0.818 -0.863) 4.325 4.712 ( -4.217 1.300 -1.054) 4.537 4.951 ( 7.349 -1.749 3.633) 8.382 5.115 ( 0.229 -4.251 0.932) 4.358 5.222 ( -7.039 -6.071 -5.162) 10.633 5.533 ( -3.073 5.466 -0.331) 6.279 5.562 ( -3.003 5.458 0.293) 6.236 5.928 ( 3.850 1.014 0.522) 4.015 5.970 ( 3.940 2.135 0.138) 4.484 6.302 ( 0.707 2.825 -0.183) 2.918 6.338 ( 1.969 2.868 -0.138) 3.482 6.507 ( 3.152 1.166 0.255) 3.371 6.533 ( 3.696 1.975 -0.253) 4.198 6.886 ( 13.530 0.999 0.837) 13.593 6.952 ( 11.752 -0.932 -1.411) 11.873 7.110 ( 9.517 -1.309 -0.284) 9.611 7.193 ( 6.249 -0.248 -1.291) 6.385 7.567 ( -2.215 -1.043 1.259) 2.753 7.594 ( -9.159 -3.076 -1.785) 9.826 7.707 ( -4.108 -2.218 1.273) 4.839 7.841 ( -4.972 -7.488 -1.416) 9.099 7.903 ( -7.556 -1.322 -0.594) 7.694 7.991 ( -8.242 -2.054 -0.774) 8.529 8.091 ( -9.303 -3.187 -0.294) 9.838 8.187 ( -10.689 -2.590 -0.291) 11.002 11.575 ( 0.486 -0.932 0.101) 1.056 11.583 ( 0.305 -0.941 -0.029) 0.990 11.644 ( 0.048 -1.352 -0.021) 1.353 11.652 ( -0.289 -1.552 -0.233) 1.596 14.950 ( 2.452 0.132 0.980) 2.644 15.004 ( 3.045 -0.566 -0.265) 3.109 15.039 ( -0.398 -1.301 -0.797) 1.577 15.054 ( -1.024 0.154 0.443) 1.126 15.217 ( -0.022 5.189 0.049) 5.189 15.235 ( 0.773 5.343 0.318) 5.408 15.286 ( 2.258 6.903 -0.551) 7.284 15.402 ( 3.801 9.423 -0.418) 10.170 16.129 ( -1.265 -1.014 -1.982) 2.561 16.141 ( -3.482 -1.185 3.756) 5.257 16.370 ( -10.378 -3.870 -5.187) 12.231 16.726 ( -15.640 -17.274 -1.076) 23.327 ======================= Grid point 97 (42/65) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.716 ( 2.166 12.335 9.220) 15.552 0.781 ( -4.351 16.556 4.486) 17.696 0.893 ( 0.836 12.107 -5.413) 13.289 0.928 ( 0.999 7.839 -9.147) 12.088 1.192 ( 0.531 13.695 2.408) 13.915 1.210 ( 0.594 14.835 0.263) 14.849 1.538 ( 0.837 -2.277 0.352) 2.451 1.546 ( -1.032 -1.128 -0.453) 1.594 1.707 ( 1.745 0.908 2.519) 3.195 1.734 ( -2.510 -1.769 2.651) 4.057 1.757 ( -2.494 1.587 -1.377) 3.261 1.795 ( 2.386 -4.596 -1.984) 5.546 1.983 ( 3.016 4.817 0.249) 5.689 2.028 ( -3.793 4.189 -3.051) 6.422 2.173 ( 0.689 0.141 3.930) 3.992 2.211 ( -0.577 0.534 0.616) 0.999 2.225 ( 3.684 4.364 -0.510) 5.734 2.265 ( -1.931 1.455 -2.973) 3.832 2.402 ( -0.155 0.124 1.479) 1.492 2.433 ( -0.245 -0.545 -1.341) 1.468 2.891 ( -0.490 2.419 0.232) 2.479 2.899 ( 0.484 1.688 -0.284) 1.779 2.903 ( -0.427 0.671 0.586) 0.988 2.919 ( 0.585 1.908 -0.583) 2.079 3.062 ( 0.666 0.518 1.543) 1.758 3.120 ( -1.125 1.250 -3.659) 4.027 3.298 ( 1.234 -1.626 2.986) 3.617 3.328 ( -1.371 6.351 2.306) 6.894 3.348 ( 1.959 -5.149 -0.723) 5.557 3.381 ( 0.064 -1.849 -1.517) 2.393 3.442 ( -2.477 -5.910 3.023) 7.085 3.525 ( -0.846 -4.784 -3.681) 6.095 3.690 ( -3.003 1.974 -0.833) 3.689 3.730 ( 2.212 -1.324 -3.634) 4.456 3.848 ( 3.990 -2.880 3.741) 6.181 3.903 ( -3.654 -2.707 -1.928) 4.939 4.016 ( -0.347 -1.506 3.860) 4.157 4.063 ( -0.556 0.063 0.093) 0.568 4.086 ( 1.284 3.675 -0.432) 3.916 4.143 ( 2.937 -0.219 -4.618) 5.477 4.355 ( -6.246 8.473 2.794) 10.891 4.415 ( 5.318 9.489 -2.908) 11.260 4.574 ( -3.077 2.884 1.920) 4.634 4.598 ( 2.299 2.863 0.134) 3.674 4.822 ( 3.432 4.544 4.221) 7.088 4.916 ( -5.146 3.371 -4.544) 7.648 5.050 ( 0.837 -4.626 1.696) 4.998 5.084 ( 1.029 -4.295 -1.233) 4.586 5.633 ( 0.302 7.352 0.278) 7.363 5.639 ( -0.309 7.176 -0.265) 7.187 5.981 ( 0.649 -0.134 1.070) 1.259 6.000 ( -0.596 -0.539 -0.600) 1.003 6.404 ( -0.625 3.849 1.353) 4.128 6.441 ( 1.419 2.621 -2.061) 3.624 6.550 ( -1.745 0.262 1.105) 2.082 6.567 ( 1.055 0.302 -0.549) 1.227 7.164 ( -3.544 1.045 1.456) 3.972 7.193 ( 5.165 -1.457 -1.134) 5.485 7.236 ( -0.249 -1.430 0.878) 1.696 7.253 ( -0.224 -1.142 -0.732) 1.375 7.362 ( 2.819 0.012 0.695) 2.904 7.407 ( -5.704 1.859 -3.979) 7.199 7.581 ( 0.140 -1.622 1.803) 2.429 7.600 ( 1.646 -2.022 -0.302) 2.624 7.866 ( 3.191 -3.767 1.223) 5.086 7.895 ( -3.804 -3.691 -1.500) 5.509 7.946 ( 1.921 -3.078 0.901) 3.738 7.961 ( -1.381 -2.687 -0.555) 3.072 11.560 ( 0.099 -1.204 0.122) 1.214 11.563 ( -0.090 -1.268 -0.138) 1.279 11.610 ( 0.074 -2.167 0.123) 2.172 11.612 ( -0.043 -2.114 -0.083) 2.116 14.988 ( 0.463 0.238 0.935) 1.070 15.007 ( -0.928 -0.156 -0.753) 1.205 15.040 ( 1.016 0.337 0.216) 1.092 15.046 ( -0.563 0.539 -0.236) 0.815 15.312 ( -0.070 5.012 0.720) 5.064 15.337 ( 0.328 5.143 -1.763) 5.447 15.472 ( -1.819 4.230 5.056) 6.838 15.582 ( 2.246 0.751 -5.226) 5.737 16.096 ( 1.424 -2.134 0.663) 2.650 16.119 ( -2.333 -1.848 -1.708) 3.432 16.207 ( 3.962 -3.004 1.680) 5.248 16.231 ( -3.951 -2.706 -0.640) 4.831 ======================= Grid point 98 (43/65) ======================= q-point: ( 0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.774 ( 2.208 12.162 -2.891) 12.695 0.846 ( 4.311 7.571 5.044) 10.068 0.954 ( 7.897 10.827 0.016) 13.401 1.022 ( 6.375 10.141 -2.691) 12.277 1.279 ( 9.566 12.825 -1.040) 16.033 1.299 ( 9.632 10.654 1.184) 14.412 1.517 ( -1.246 -2.032 -0.312) 2.404 1.550 ( -0.364 -0.857 0.088) 0.935 1.678 ( -3.299 1.582 -1.683) 4.027 1.738 ( 1.685 -1.271 3.359) 3.967 1.753 ( 0.507 0.307 0.031) 0.593 1.861 ( 4.572 -4.270 -0.290) 6.262 1.987 ( 1.809 2.467 -1.631) 3.467 2.073 ( 3.463 6.947 2.672) 8.210 2.151 ( -1.288 0.176 0.312) 1.337 2.177 ( -2.649 0.139 -3.075) 4.062 2.278 ( 2.825 2.068 1.242) 3.715 2.306 ( 3.270 3.595 -1.551) 5.102 2.344 ( -3.725 -0.622 -0.085) 3.777 2.461 ( 2.021 1.120 0.597) 2.386 2.859 ( -2.019 2.186 0.392) 3.001 2.874 ( -2.212 -0.057 0.543) 2.279 2.895 ( -1.293 2.266 -0.573) 2.671 2.919 ( 0.141 1.278 -0.671) 1.450 3.027 ( -2.657 2.754 -0.299) 3.838 3.084 ( -2.985 1.913 0.923) 3.663 3.270 ( -2.913 8.005 0.102) 8.519 3.310 ( -0.473 4.638 -0.333) 4.674 3.323 ( -6.961 -1.545 0.825) 7.178 3.348 ( 1.118 -3.420 1.889) 4.064 3.439 ( -0.989 -8.153 0.696) 8.242 3.480 ( -0.508 -0.782 -1.366) 1.654 3.696 ( -0.093 -3.904 -1.174) 4.078 3.740 ( 1.693 -4.968 1.509) 5.461 3.782 ( 0.006 1.735 -2.862) 3.347 3.939 ( -1.984 -3.248 -0.475) 3.836 4.014 ( -1.321 -2.788 0.804) 3.188 4.070 ( 1.539 -0.838 0.083) 1.755 4.086 ( -2.966 3.710 0.364) 4.764 4.170 ( 1.669 -3.841 -1.545) 4.464 4.324 ( 0.827 11.243 2.614) 11.573 4.474 ( -1.220 6.380 1.662) 6.705 4.621 ( 10.875 3.183 -3.842) 11.964 4.683 ( 3.348 3.336 1.666) 5.012 4.816 ( -1.874 5.910 -3.218) 6.986 4.906 ( -1.137 0.109 4.015) 4.174 5.027 ( 1.064 -2.835 0.792) 3.130 5.121 ( 1.917 -5.882 -2.245) 6.581 5.663 ( 3.087 7.703 -0.253) 8.303 5.679 ( 3.608 6.999 0.261) 7.879 5.968 ( -2.088 0.821 -0.590) 2.320 5.990 ( -1.724 0.655 0.683) 1.967 6.365 ( -3.032 2.836 0.251) 4.159 6.388 ( -4.165 3.046 -0.600) 5.195 6.519 ( -2.409 0.374 0.372) 2.466 6.555 ( -3.224 0.043 -0.122) 3.226 6.911 ( -13.744 0.218 0.797) 13.769 6.933 ( -15.182 1.078 -0.743) 15.238 7.084 ( -10.334 -1.651 1.018) 10.514 7.174 ( -7.654 -3.157 -1.882) 8.491 7.493 ( 7.116 -2.522 0.285) 7.555 7.558 ( 2.687 -1.673 0.487) 3.202 7.647 ( 5.424 -4.218 0.497) 6.889 7.731 ( 2.173 -3.936 -0.676) 4.547 7.890 ( 8.726 -1.112 -1.202) 8.879 7.939 ( 6.728 -1.382 0.765) 6.911 8.047 ( 8.472 -3.108 -0.512) 9.039 8.103 ( 9.512 -5.001 0.791) 10.775 11.556 ( -0.432 -1.206 -0.159) 1.291 11.559 ( -0.296 -1.202 0.173) 1.250 11.610 ( -0.026 -2.181 -0.105) 2.184 11.615 ( 0.122 -2.260 0.015) 2.264 14.967 ( -2.369 0.346 -0.134) 2.398 14.989 ( -1.452 0.651 0.779) 1.772 15.030 ( -0.331 -0.028 -0.898) 0.957 15.058 ( 0.503 -0.034 0.313) 0.593 15.317 ( 0.268 5.480 0.330) 5.497 15.335 ( 0.292 4.647 -0.870) 4.736 15.410 ( -3.989 6.248 1.423) 7.548 15.530 ( -4.258 2.874 -1.112) 5.257 16.088 ( 0.346 -0.017 0.746) 0.823 16.175 ( 6.031 -3.110 -0.958) 6.853 16.244 ( 7.181 -3.968 -1.821) 8.404 16.450 ( 12.756 -9.249 2.107) 15.897 ======================= Grid point 99 (44/65) ======================= q-point: ( 0.25 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.857 ( 9.682 9.142 -4.099) 13.933 0.991 ( 7.046 5.027 3.247) 9.244 1.080 ( 5.468 6.734 1.812) 8.861 1.100 ( 4.636 6.993 -1.519) 8.527 1.453 ( 1.862 4.752 1.986) 5.477 1.500 ( 2.617 0.965 -1.925) 3.389 1.511 ( 3.369 3.833 -1.790) 5.408 1.544 ( 2.537 1.053 1.372) 3.071 1.617 ( -0.442 1.778 -0.055) 1.833 1.717 ( -1.988 -0.450 -0.959) 2.253 1.829 ( 3.998 0.355 0.944) 4.123 1.949 ( 3.466 -2.370 1.338) 4.407 2.049 ( 1.631 0.171 -0.101) 1.643 2.086 ( 2.157 2.635 -1.444) 3.699 2.115 ( -2.478 -0.060 -1.601) 2.951 2.212 ( 1.865 5.334 1.498) 5.846 2.245 ( -1.624 0.388 1.702) 2.384 2.346 ( 2.955 2.962 0.730) 4.247 2.359 ( 3.389 5.301 -2.541) 6.786 2.503 ( 1.511 0.991 0.330) 1.836 2.830 ( -2.606 0.922 -0.657) 2.841 2.833 ( -1.831 0.480 0.431) 1.941 2.853 ( -0.372 1.794 0.652) 1.944 2.935 ( 1.864 0.899 -0.558) 2.143 2.998 ( 0.477 2.638 -1.820) 3.240 3.054 ( -1.075 4.019 2.282) 4.745 3.184 ( -6.845 5.268 2.927) 9.120 3.218 ( -2.914 0.139 -2.035) 3.557 3.313 ( -0.079 2.180 1.265) 2.522 3.360 ( 0.041 0.198 -2.361) 2.369 3.416 ( -1.022 -2.431 -0.124) 2.640 3.486 ( 1.194 -0.325 0.084) 1.240 3.720 ( 0.152 -2.200 0.376) 2.237 3.754 ( 0.642 -1.416 -0.519) 1.639 3.809 ( 3.921 -5.168 0.033) 6.488 3.874 ( -5.657 -2.985 0.819) 6.448 3.907 ( -4.794 -0.915 -1.669) 5.158 4.052 ( -0.660 -0.050 1.798) 1.916 4.105 ( 0.945 -3.916 -0.063) 4.029 4.172 ( -0.782 -5.175 -0.268) 5.241 4.384 ( 2.715 10.629 1.750) 11.109 4.448 ( -1.542 6.919 -1.144) 7.180 4.694 ( -2.463 3.764 -0.364) 4.513 4.765 ( 1.285 -0.322 -0.603) 1.455 4.836 ( 1.711 4.656 -0.700) 5.010 4.863 ( 3.953 4.769 0.957) 6.268 5.083 ( 1.952 -3.679 -1.914) 4.583 5.156 ( 2.153 -4.268 2.107) 5.224 5.733 ( 3.357 8.084 0.032) 8.753 5.755 ( 3.277 7.228 0.133) 7.937 5.893 ( -4.752 3.064 -0.931) 5.731 5.917 ( -5.124 3.329 0.543) 6.135 6.302 ( -4.193 -0.283 0.074) 4.203 6.313 ( -3.846 0.535 -0.084) 3.884 6.461 ( -3.260 0.420 0.482) 3.322 6.466 ( -3.396 0.015 -0.487) 3.431 6.677 ( -9.254 0.825 -1.078) 9.353 6.728 ( -6.576 0.322 1.293) 6.710 6.949 ( -3.959 -2.697 0.543) 4.821 7.050 ( -4.083 -5.501 -1.130) 6.943 7.524 ( -3.036 -0.611 0.183) 3.103 7.596 ( 2.139 -3.870 -0.625) 4.466 7.631 ( -3.298 -3.780 0.871) 5.092 7.760 ( 0.111 -4.501 -0.082) 4.503 8.072 ( 8.525 -2.140 -0.861) 8.831 8.108 ( 7.049 -2.248 0.757) 7.437 8.194 ( 6.657 -3.971 -0.812) 7.794 8.257 ( 4.776 -5.210 0.997) 7.138 11.546 ( -0.462 -1.115 -0.110) 1.211 11.553 ( -0.325 -1.238 0.113) 1.285 11.606 ( -0.344 -2.233 -0.004) 2.260 11.612 ( -0.374 -2.238 -0.063) 2.270 14.919 ( -2.262 0.916 -0.136) 2.444 14.954 ( -2.248 1.594 0.281) 2.770 15.023 ( -0.081 -1.164 -0.269) 1.197 15.066 ( 0.174 -0.495 0.125) 0.539 15.331 ( 1.025 5.527 -0.096) 5.623 15.338 ( 0.691 5.464 0.123) 5.509 15.378 ( -0.049 5.088 -0.179) 5.092 15.458 ( -2.613 4.709 0.241) 5.391 16.133 ( 2.894 0.709 1.430) 3.305 16.281 ( 5.620 -4.043 -4.166) 8.080 16.385 ( 6.973 -5.248 1.859) 8.923 16.667 ( 7.910 -11.989 0.942) 14.394 ======================= Grid point 100 (45/65) ======================= q-point: ( 0.38 0.25 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( 11.286 8.427 -1.120) 14.129 1.135 ( 7.884 3.167 -1.030) 8.558 1.202 ( 6.281 3.182 -0.435) 7.054 1.227 ( 7.615 1.012 2.860) 8.197 1.401 ( -4.886 5.032 1.402) 7.153 1.471 ( -3.451 1.096 -1.429) 3.893 1.501 ( -3.345 0.304 0.768) 3.446 1.518 ( -4.193 -1.041 -0.241) 4.327 1.684 ( 1.354 4.600 0.551) 4.826 1.709 ( 3.265 3.499 -0.755) 4.845 1.899 ( 2.331 0.270 0.338) 2.371 1.971 ( -1.672 -1.546 0.770) 2.404 2.033 ( -4.076 -1.453 0.445) 4.351 2.061 ( 0.468 1.991 -1.832) 2.746 2.105 ( -1.761 -1.997 -0.020) 2.663 2.157 ( -2.235 -0.330 -1.007) 2.474 2.345 ( 5.624 6.223 -0.364) 8.396 2.411 ( 3.584 3.928 -0.319) 5.327 2.440 ( 3.348 2.965 1.229) 4.638 2.530 ( 1.713 1.977 0.634) 2.692 2.789 ( -0.811 2.807 -0.805) 3.031 2.813 ( -0.319 0.562 0.314) 0.718 2.872 ( 0.462 1.577 0.647) 1.766 2.959 ( 0.224 0.931 -0.884) 1.303 3.010 ( 1.853 1.313 -1.982) 3.015 3.033 ( -2.848 2.631 0.868) 3.973 3.123 ( 0.524 3.261 3.135) 4.553 3.161 ( -1.690 0.212 -1.713) 2.416 3.304 ( -0.836 3.542 -0.225) 3.646 3.380 ( 2.818 2.070 -0.070) 3.497 3.392 ( -1.286 -1.033 -1.428) 2.182 3.489 ( -0.921 2.740 -0.035) 2.891 3.649 ( -5.285 -0.250 0.899) 5.366 3.685 ( -7.737 -0.327 -0.147) 7.745 3.839 ( 4.485 -5.594 0.708) 7.205 3.897 ( 1.750 -2.195 0.285) 2.821 3.922 ( 3.480 -8.011 1.738) 8.905 4.045 ( -0.018 -0.915 -0.658) 1.127 4.098 ( -2.784 -2.864 0.824) 4.078 4.141 ( -1.334 -4.349 -1.721) 4.864 4.421 ( 2.080 6.353 -0.168) 6.687 4.461 ( 2.955 7.836 0.250) 8.379 4.631 ( -3.380 3.505 0.797) 4.934 4.689 ( -4.252 2.794 -0.785) 5.148 4.932 ( 5.274 4.089 -0.165) 6.676 4.955 ( 3.697 3.835 -0.040) 5.327 5.095 ( 0.609 -3.089 -1.507) 3.491 5.169 ( -2.634 -2.972 1.569) 4.270 5.761 ( 0.172 7.051 0.296) 7.060 5.775 ( -0.567 6.477 -0.236) 6.507 5.827 ( -1.683 5.366 0.157) 5.626 5.858 ( -1.292 5.231 -0.213) 5.393 6.209 ( -3.963 -2.112 0.046) 4.491 6.231 ( -3.942 -2.124 -0.001) 4.478 6.430 ( -0.347 0.354 -0.042) 0.498 6.433 ( -0.587 0.430 -0.087) 0.732 6.569 ( -2.094 2.054 0.158) 2.937 6.650 ( -2.794 1.858 0.018) 3.355 6.923 ( 0.532 -4.652 0.157) 4.685 6.991 ( -1.768 -6.977 -0.455) 7.212 7.476 ( -2.164 0.053 1.175) 2.463 7.538 ( -2.443 -1.520 -2.322) 3.697 7.644 ( -0.159 -3.779 2.449) 4.506 7.730 ( -2.039 -3.909 -1.261) 4.585 8.192 ( 4.473 -3.103 -0.160) 5.446 8.209 ( 3.437 -3.006 0.199) 4.570 8.271 ( 1.863 -4.637 -0.711) 5.047 8.300 ( -0.446 -4.959 0.777) 5.039 11.540 ( -0.150 -1.167 0.040) 1.178 11.549 ( -0.158 -1.343 -0.076) 1.354 11.597 ( -0.479 -2.166 0.028) 2.218 11.603 ( -0.503 -2.168 -0.003) 2.226 14.885 ( -1.160 1.227 0.204) 1.700 14.914 ( -1.574 1.868 -0.423) 2.479 15.023 ( 0.019 -1.565 0.649) 1.694 15.065 ( -0.193 -0.905 -0.413) 1.014 15.353 ( 1.357 5.408 -0.123) 5.577 15.365 ( 1.422 4.951 0.128) 5.153 15.385 ( 0.628 4.786 -0.236) 4.833 15.425 ( -1.235 5.057 0.299) 5.214 16.197 ( 2.223 0.906 2.002) 3.125 16.329 ( 2.596 -2.864 -5.818) 6.985 16.527 ( 4.816 -6.110 5.837) 9.726 16.765 ( 2.734 -11.085 -2.040) 11.598 ======================= Grid point 101 (46/65) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.205 ( 3.422 1.390 1.184) 3.879 1.237 ( -4.688 1.415 -1.724) 5.191 1.308 ( 7.105 6.243 -0.037) 9.458 1.320 ( -9.745 3.122 -1.023) 10.284 1.348 ( 4.820 4.246 2.385) 6.852 1.397 ( -1.583 1.854 -1.103) 2.676 1.443 ( 1.800 0.099 1.376) 2.268 1.456 ( -0.271 1.608 -0.202) 1.643 1.710 ( -1.401 4.575 2.245) 5.285 1.751 ( 1.980 2.493 -1.283) 3.433 1.911 ( -2.399 -0.492 -0.050) 2.449 1.927 ( 1.209 -0.077 -1.153) 1.673 2.000 ( -0.443 -1.197 2.302) 2.632 2.036 ( -1.064 0.580 -1.153) 1.672 2.094 ( 1.023 -1.067 0.722) 1.645 2.129 ( 0.590 -1.282 -2.818) 3.152 2.403 ( -2.602 2.366 0.224) 3.524 2.420 ( 1.149 3.405 -0.957) 3.719 2.510 ( 0.750 3.679 2.344) 4.427 2.553 ( 0.399 2.100 -0.931) 2.331 2.789 ( 1.082 3.167 -0.157) 3.351 2.800 ( -0.887 2.460 -1.104) 2.839 2.891 ( 1.166 1.241 2.196) 2.779 2.935 ( -1.224 1.003 -1.377) 2.098 3.002 ( -0.515 1.552 0.156) 1.643 3.030 ( 1.302 1.941 -2.458) 3.391 3.123 ( -3.499 0.514 3.406) 4.910 3.192 ( 5.073 1.589 -0.855) 5.384 3.273 ( -3.470 2.021 1.895) 4.440 3.362 ( 1.737 4.720 -4.695) 6.881 3.439 ( -0.205 2.825 2.519) 3.790 3.478 ( -0.386 3.014 -0.955) 3.185 3.570 ( -0.761 -1.880 1.665) 2.624 3.608 ( 0.872 -2.977 -1.696) 3.536 3.884 ( -0.761 -7.685 1.494) 7.866 3.912 ( 0.905 -6.450 -0.893) 6.574 4.007 ( -0.993 -5.470 4.435) 7.111 4.034 ( -0.040 0.716 0.974) 1.210 4.049 ( -0.372 0.401 -0.438) 0.701 4.108 ( 1.080 -2.008 -4.284) 4.853 4.475 ( 1.232 4.463 0.698) 4.682 4.489 ( -1.448 5.433 -0.526) 5.647 4.600 ( 0.525 4.322 1.574) 4.629 4.633 ( -0.215 3.974 -1.389) 4.216 4.991 ( -0.196 5.144 0.192) 5.151 4.998 ( 0.196 4.242 -0.451) 4.271 5.101 ( 0.467 -3.820 0.443) 3.874 5.112 ( -0.611 -3.730 -0.540) 3.818 5.778 ( -1.883 5.792 0.138) 6.092 5.784 ( 1.183 5.560 -0.325) 5.694 5.802 ( 2.023 6.091 1.023) 6.500 5.821 ( -1.298 6.036 -0.719) 6.216 6.179 ( 0.302 -1.914 0.360) 1.971 6.185 ( -0.259 -2.435 -0.258) 2.462 6.428 ( -0.033 0.512 -0.028) 0.514 6.429 ( 0.026 0.410 -0.130) 0.431 6.570 ( 1.218 2.488 1.615) 3.207 6.605 ( -1.292 2.650 -1.559) 3.334 6.944 ( 0.125 -6.175 0.896) 6.241 6.966 ( -0.073 -7.107 -1.018) 7.180 7.461 ( -0.124 0.188 1.613) 1.629 7.503 ( 0.161 -0.713 -2.217) 2.334 7.654 ( 0.259 -3.224 2.141) 3.879 7.694 ( -0.186 -3.295 -1.599) 3.667 8.240 ( -0.334 -3.838 0.618) 3.902 8.253 ( 0.565 -3.795 -0.542) 3.875 8.273 ( -1.481 -4.164 0.633) 4.464 8.286 ( 1.143 -4.722 -0.573) 4.892 11.540 ( 0.102 -1.290 0.198) 1.309 11.545 ( -0.119 -1.355 -0.243) 1.382 11.593 ( -0.007 -2.117 0.172) 2.124 11.596 ( 0.037 -2.129 -0.131) 2.133 14.877 ( 0.104 1.416 0.596) 1.540 14.893 ( -0.152 1.684 -0.802) 1.871 15.032 ( 0.338 -1.455 1.183) 1.905 15.056 ( -0.286 -1.163 -0.957) 1.533 15.371 ( -0.049 4.879 0.127) 4.881 15.377 ( 0.123 4.774 -0.438) 4.796 15.401 ( -0.090 5.126 0.413) 5.143 15.406 ( 0.005 5.204 -0.052) 5.204 16.233 ( -0.088 0.585 2.829) 2.890 16.316 ( -0.297 -1.416 -5.172) 5.371 16.632 ( 1.768 -7.486 6.974) 10.383 16.756 ( -1.367 -9.735 -4.671) 10.884 ======================= Grid point 102 (47/65) ======================= q-point: (-0.38 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.073 ( -12.114 6.332 -2.010) 13.816 1.116 ( -7.342 3.844 0.861) 8.332 1.193 ( -7.227 2.871 0.732) 7.811 1.255 ( -5.338 0.684 0.201) 5.386 1.415 ( 3.107 5.572 0.826) 6.433 1.462 ( 4.305 2.296 -0.541) 4.909 1.505 ( 4.295 -1.821 -0.512) 4.694 1.533 ( 3.717 -0.313 -0.605) 3.778 1.668 ( -2.474 5.505 0.822) 6.091 1.730 ( -3.337 3.631 -1.313) 5.103 1.895 ( -1.103 1.224 0.564) 1.741 1.959 ( 1.510 -0.729 1.897) 2.532 2.014 ( 0.118 -1.817 0.275) 1.842 2.051 ( 2.752 -0.374 -0.468) 2.816 2.131 ( 2.423 -1.198 -1.249) 2.977 2.153 ( 3.012 -0.923 -0.919) 3.281 2.301 ( -7.338 7.143 2.010) 10.436 2.407 ( -2.407 2.510 0.294) 3.490 2.470 ( -3.779 3.650 -0.678) 5.297 2.543 ( -1.906 2.534 -0.100) 3.173 2.786 ( 0.704 2.184 -0.595) 2.371 2.817 ( 1.122 1.705 -0.066) 2.042 2.890 ( -1.685 0.884 -0.077) 1.905 2.936 ( 0.579 0.847 0.256) 1.058 2.985 ( -1.618 1.868 0.075) 2.472 3.054 ( 2.168 3.034 -1.027) 3.868 3.104 ( 1.185 1.017 2.169) 2.672 3.208 ( -0.895 2.845 -2.399) 3.827 3.301 ( 4.700 -0.022 -0.124) 4.702 3.360 ( -5.497 3.497 1.633) 6.716 3.378 ( 0.667 2.006 -1.038) 2.355 3.480 ( 1.321 0.749 0.595) 1.631 3.659 ( 6.108 1.084 0.593) 6.232 3.691 ( 6.858 -2.945 -0.801) 7.506 3.857 ( -2.433 -5.281 -0.680) 5.854 3.888 ( -4.007 -4.780 0.779) 6.285 3.976 ( -2.990 -3.058 -2.230) 4.824 3.990 ( 0.099 -2.334 3.663) 4.345 4.109 ( 2.595 -5.053 0.896) 5.751 4.131 ( 1.246 -1.867 -1.826) 2.894 4.425 ( -2.153 6.375 -0.446) 6.744 4.458 ( -2.716 7.712 0.429) 8.187 4.650 ( 2.689 3.541 0.121) 4.447 4.672 ( 4.780 2.540 -0.273) 5.420 4.932 ( -5.229 3.774 -0.153) 6.451 4.953 ( -3.637 4.065 0.094) 5.456 5.080 ( -1.852 -1.836 -0.334) 2.629 5.182 ( 4.060 -4.171 0.492) 5.841 5.767 ( 0.820 6.932 0.396) 6.992 5.769 ( -0.495 6.606 -0.312) 6.632 5.837 ( 1.454 5.611 -0.581) 5.825 5.849 ( 1.452 5.080 0.449) 5.302 6.213 ( 3.997 -2.369 -0.224) 4.652 6.228 ( 3.821 -1.868 0.210) 4.258 6.430 ( 0.294 0.344 -0.060) 0.457 6.431 ( 0.677 0.411 0.035) 0.793 6.590 ( 1.282 2.194 -1.681) 3.047 6.629 ( 3.657 1.795 1.840) 4.470 6.924 ( -0.999 -5.541 0.114) 5.632 6.989 ( 2.222 -6.244 -0.351) 6.637 7.492 ( 2.290 -0.540 1.757) 2.936 7.511 ( 1.895 -0.886 -2.060) 2.936 7.684 ( 1.182 -3.960 1.613) 4.436 7.703 ( 1.635 -3.795 -1.466) 4.385 8.188 ( -4.602 -3.063 0.097) 5.528 8.212 ( -3.428 -2.986 0.012) 4.546 8.263 ( -1.540 -4.370 -0.073) 4.634 8.306 ( 0.075 -5.193 0.196) 5.197 11.542 ( 0.050 -1.190 -0.219) 1.211 11.545 ( 0.253 -1.290 0.230) 1.334 11.597 ( 0.380 -2.138 0.034) 2.172 11.604 ( 0.633 -2.235 -0.080) 2.324 14.889 ( 0.896 1.483 0.005) 1.733 14.906 ( 1.755 1.388 0.021) 2.238 15.044 ( -0.173 -1.114 -0.989) 1.499 15.049 ( 0.424 -1.143 0.964) 1.554 15.352 ( -1.376 5.261 -0.067) 5.438 15.365 ( -1.369 5.066 0.081) 5.249 15.384 ( -0.644 4.957 -0.162) 5.002 15.427 ( 1.203 4.930 0.199) 5.078 16.226 ( -2.772 -0.264 3.770) 4.687 16.259 ( -2.536 -0.605 -4.065) 4.829 16.648 ( -5.025 -9.031 -2.648) 10.668 16.685 ( -1.945 -9.319 2.894) 9.950 ======================= Grid point 103 (48/65) ======================= q-point: (-0.25 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 98 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.819 ( -11.467 9.725 -0.844) 15.059 1.015 ( -3.867 7.021 -0.470) 8.029 1.058 ( -6.003 6.158 2.684) 9.009 1.146 ( -5.268 4.381 -2.495) 7.291 1.437 ( -7.545 8.005 2.086) 11.196 1.490 ( -1.763 -0.272 0.453) 1.841 1.515 ( 1.218 1.595 -2.544) 3.241 1.564 ( -2.637 1.137 -0.228) 2.881 1.640 ( -1.974 3.059 -2.157) 4.231 1.678 ( 2.528 -0.107 2.179) 3.339 1.857 ( -2.438 -0.503 -0.874) 2.638 1.954 ( -5.699 -0.942 1.708) 6.023 2.015 ( 1.801 -0.533 1.206) 2.232 2.049 ( -4.333 1.589 -0.063) 4.616 2.138 ( 1.576 0.836 -1.098) 2.094 2.210 ( 0.243 3.398 0.491) 3.442 2.248 ( 2.432 3.024 1.256) 4.079 2.349 ( -2.731 2.222 -0.493) 3.555 2.379 ( -4.475 3.967 -2.182) 6.366 2.498 ( -2.062 1.823 0.634) 2.825 2.821 ( 2.532 0.867 0.110) 2.678 2.843 ( 2.129 1.125 -0.382) 2.438 2.863 ( -0.311 0.765 0.156) 0.840 2.925 ( -1.206 0.916 -0.083) 1.516 2.965 ( 0.018 2.565 0.675) 2.652 3.092 ( 2.653 5.775 -0.684) 6.391 3.171 ( 2.795 -0.371 2.528) 3.787 3.232 ( 4.340 8.118 -1.563) 9.337 3.297 ( -2.094 3.453 1.930) 4.476 3.362 ( 3.306 -4.167 -1.712) 5.587 3.392 ( 0.045 -2.473 0.560) 2.536 3.505 ( 0.229 -1.084 -0.710) 1.316 3.749 ( 3.093 -1.717 -1.597) 3.881 3.762 ( -4.776 -3.896 -1.104) 6.262 3.794 ( -0.237 -2.106 1.117) 2.396 3.875 ( 4.704 -1.803 0.900) 5.118 3.920 ( 0.403 -3.008 -2.747) 4.093 4.045 ( 2.632 -0.871 2.518) 3.745 4.118 ( -0.760 -2.599 -1.414) 3.055 4.145 ( 0.051 -5.386 1.872) 5.702 4.405 ( -1.089 9.366 1.771) 9.594 4.436 ( 1.074 7.564 -1.721) 7.832 4.690 ( -0.400 4.471 -0.126) 4.491 4.757 ( -0.086 -0.970 -0.188) 0.991 4.828 ( -1.395 4.796 0.068) 4.996 4.871 ( -4.406 4.988 0.221) 6.659 5.036 ( -1.642 -2.852 1.232) 3.514 5.214 ( -1.230 -5.375 -1.595) 5.740 5.738 ( -3.289 7.794 -0.392) 8.469 5.752 ( -3.342 7.471 0.441) 8.197 5.882 ( 4.101 3.460 -0.123) 5.367 5.920 ( 5.464 3.152 0.201) 6.311 6.298 ( 3.549 0.052 0.199) 3.555 6.316 ( 4.509 0.217 -0.215) 4.519 6.456 ( 2.978 0.437 0.343) 3.029 6.471 ( 3.697 0.022 -0.339) 3.712 6.669 ( 8.491 1.120 -0.404) 8.574 6.738 ( 7.312 -0.030 0.490) 7.328 6.945 ( 3.591 -3.344 0.770) 4.966 7.049 ( 4.482 -5.015 -1.012) 6.801 7.537 ( 1.425 -1.301 -0.991) 2.169 7.561 ( 2.774 -2.302 1.713) 3.990 7.680 ( -1.183 -4.761 -2.473) 5.494 7.740 ( 1.382 -4.519 1.628) 4.998 8.064 ( -8.475 -2.079 -0.228) 8.730 8.115 ( -6.898 -2.244 0.201) 7.256 8.187 ( -6.408 -3.867 -0.248) 7.489 8.264 ( -5.153 -5.399 0.424) 7.476 11.546 ( 0.370 -1.063 -0.081) 1.129 11.553 ( 0.417 -1.263 0.129) 1.336 11.606 ( 0.383 -2.165 0.018) 2.199 11.614 ( 0.337 -2.344 -0.138) 2.372 14.916 ( 1.882 1.167 0.008) 2.215 14.952 ( 2.638 1.126 0.347) 2.889 15.033 ( -0.207 -0.983 -1.074) 1.471 15.060 ( 0.049 -0.488 0.732) 0.881 15.328 ( -1.060 5.525 0.094) 5.626 15.343 ( -0.522 5.701 -0.154) 5.727 15.374 ( -0.040 4.837 0.070) 4.838 15.461 ( 2.556 4.736 0.025) 5.382 16.176 ( -4.639 -1.287 3.412) 5.901 16.178 ( -3.304 -0.174 -2.155) 3.949 16.481 ( -8.553 -7.676 -5.330) 12.668 16.636 ( -6.479 -11.842 3.874) 14.043 ======================= Grid point 104 (49/65) ======================= q-point: (-0.12 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.673 ( -3.576 14.236 3.638) 15.122 0.922 ( -6.861 12.896 1.377) 14.673 0.994 ( -3.681 6.845 -2.274) 8.098 1.022 ( -5.467 6.944 -4.744) 10.031 1.229 ( -9.052 11.514 3.057) 14.962 1.303 ( -11.988 14.204 0.413) 18.591 1.521 ( 0.611 -2.223 -0.522) 2.363 1.552 ( 0.940 -0.059 -0.005) 0.942 1.655 ( 1.821 1.698 0.293) 2.507 1.746 ( 2.740 -0.511 0.940) 2.942 1.792 ( -2.877 -3.396 -0.898) 4.541 1.839 ( -5.888 -2.424 1.107) 6.463 1.976 ( -1.486 3.481 -1.358) 4.022 2.095 ( 3.536 1.660 3.231) 5.069 2.140 ( -4.543 4.895 -2.493) 7.129 2.166 ( 1.101 -0.141 0.281) 1.145 2.277 ( -3.989 3.913 -0.955) 5.669 2.313 ( -1.763 1.161 -0.711) 2.227 2.339 ( 4.567 0.137 0.295) 4.579 2.468 ( -1.733 0.365 0.200) 1.782 2.863 ( 2.044 2.208 0.212) 3.016 2.881 ( 1.230 0.455 0.622) 1.452 2.887 ( 1.887 0.901 -0.568) 2.167 2.913 ( 0.240 1.791 -0.356) 1.841 3.003 ( 3.101 1.222 0.825) 3.433 3.151 ( 2.821 3.865 -3.818) 6.121 3.225 ( 1.313 8.947 3.738) 9.785 3.299 ( 2.278 -0.702 0.717) 2.490 3.320 ( 4.240 2.658 0.325) 5.014 3.371 ( -2.154 -2.886 0.658) 3.661 3.441 ( 3.562 -7.468 0.576) 8.294 3.495 ( 1.914 -3.035 -2.054) 4.135 3.688 ( -0.268 -3.450 -0.089) 3.461 3.755 ( -0.440 -4.597 0.304) 4.628 3.797 ( -0.943 -1.536 -3.710) 4.125 3.932 ( 3.446 -0.168 -0.882) 3.561 3.997 ( 2.347 -1.889 2.067) 3.654 4.080 ( -1.357 0.736 -0.269) 1.567 4.098 ( 0.106 -1.567 -0.932) 1.827 4.133 ( -1.662 -0.562 1.406) 2.248 4.396 ( 0.223 9.578 -3.013) 10.043 4.465 ( -0.097 3.178 5.400) 6.266 4.553 ( -8.429 8.590 -1.246) 12.099 4.698 ( -5.258 2.349 0.126) 5.760 4.778 ( -0.777 5.057 0.174) 5.120 4.936 ( 5.469 0.124 0.911) 5.545 5.040 ( -0.480 -3.729 0.455) 3.787 5.123 ( -4.849 -4.876 -2.622) 7.360 5.662 ( -3.295 7.668 -0.210) 8.349 5.680 ( -3.486 6.928 0.178) 7.757 5.952 ( 2.209 1.367 0.517) 2.649 5.998 ( 1.730 0.505 0.033) 1.803 6.362 ( 3.358 3.227 0.363) 4.671 6.388 ( 3.545 2.634 -0.471) 4.441 6.526 ( 2.919 0.552 -0.011) 2.971 6.551 ( 3.030 -0.217 0.099) 3.039 6.907 ( 15.025 1.169 0.767) 15.090 6.937 ( 13.552 -0.212 -0.769) 13.576 7.091 ( 10.779 -1.248 0.924) 10.890 7.158 ( 7.305 -3.371 -1.174) 8.131 7.511 ( -6.913 -3.711 -0.984) 7.908 7.560 ( -1.114 -0.802 0.561) 1.483 7.647 ( -5.105 -3.794 0.526) 6.382 7.730 ( -3.976 -4.448 -0.690) 6.005 7.880 ( -7.271 -1.041 -0.364) 7.354 7.952 ( -8.010 -1.966 -0.351) 8.256 8.033 ( -8.050 -3.154 0.491) 8.660 8.113 ( -9.712 -4.643 0.058) 10.765 11.554 ( 0.421 -1.133 0.047) 1.210 11.561 ( 0.318 -1.267 -0.016) 1.306 11.609 ( 0.025 -2.189 -0.082) 2.190 11.615 ( -0.129 -2.234 0.023) 2.238 14.957 ( 1.992 0.691 0.434) 2.153 15.004 ( 2.352 0.584 0.301) 2.443 15.023 ( -0.251 -0.530 -0.901) 1.075 15.058 ( -0.500 0.187 0.285) 0.605 15.313 ( -0.491 5.160 0.325) 5.194 15.341 ( 0.269 5.495 -1.077) 5.606 15.408 ( 3.383 5.186 1.624) 6.401 15.530 ( 4.393 3.514 -1.058) 5.724 16.105 ( -2.821 -1.401 0.293) 3.163 16.126 ( -1.152 -0.092 0.731) 1.367 16.277 ( -8.879 -5.518 -3.067) 10.895 16.463 ( -12.892 -10.670 1.289) 16.784 ======================= Grid point 105 (50/65) ======================= q-point: ( 0.00 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.964 ( 0.801 13.355 4.519) 14.122 1.065 ( -2.434 10.913 -3.826) 11.817 1.093 ( 0.455 13.768 1.077) 13.817 1.146 ( 0.875 12.785 -2.906) 13.140 1.318 ( 1.974 -0.621 2.054) 2.916 1.351 ( -1.650 -0.933 -1.036) 2.161 1.500 ( 0.398 -2.984 1.012) 3.176 1.520 ( -0.761 -3.485 -0.716) 3.638 1.667 ( -1.416 -1.293 1.615) 2.507 1.704 ( 1.708 -2.022 -1.788) 3.194 1.744 ( 1.570 -0.358 1.159) 1.984 1.766 ( -1.855 -0.809 -0.675) 2.133 2.067 ( 3.995 3.682 0.545) 5.460 2.096 ( -4.474 3.881 -1.396) 6.085 2.162 ( 2.027 -1.372 3.708) 4.443 2.226 ( -2.173 -0.632 -2.059) 3.059 2.279 ( -1.833 2.104 1.450) 3.145 2.319 ( 2.878 4.338 -2.117) 5.620 2.399 ( -0.247 -0.358 0.338) 0.551 2.413 ( 0.295 -1.940 -0.791) 2.115 2.910 ( -0.748 0.675 1.574) 1.869 2.919 ( -0.105 0.642 0.334) 0.731 2.934 ( 0.901 1.822 0.366) 2.066 2.964 ( 0.244 1.559 -1.884) 2.458 3.068 ( 0.374 1.455 2.528) 2.941 3.140 ( -0.630 1.011 -3.946) 4.122 3.226 ( 0.992 -3.869 1.417) 4.238 3.252 ( -2.813 -4.773 -1.056) 5.640 3.291 ( 2.345 -3.113 1.625) 4.223 3.324 ( -1.982 -1.972 -1.130) 3.016 3.406 ( 0.535 -2.988 1.503) 3.387 3.438 ( 0.402 -5.086 -1.337) 5.274 3.698 ( -0.289 0.022 0.476) 0.557 3.725 ( 0.495 0.508 -1.939) 2.065 3.812 ( -0.061 -1.061 2.134) 2.384 3.859 ( 0.154 -2.264 -2.168) 3.139 4.011 ( -0.706 0.733 3.291) 3.445 4.055 ( 0.930 -0.480 -0.348) 1.103 4.114 ( -0.049 -0.521 -0.180) 0.553 4.130 ( 0.460 -1.257 -1.929) 2.348 4.548 ( -2.904 10.183 3.511) 11.156 4.608 ( 3.461 9.017 -1.355) 9.753 4.662 ( -4.196 5.105 0.755) 6.652 4.694 ( 3.026 5.996 -1.554) 6.894 4.898 ( 1.158 3.097 2.718) 4.280 4.951 ( -2.087 -1.203 -0.812) 2.542 4.977 ( 0.400 -1.409 -0.692) 1.620 5.006 ( 0.479 -3.744 -1.826) 4.193 5.774 ( 0.131 7.277 0.224) 7.282 5.779 ( -0.123 7.468 -0.224) 7.473 5.965 ( -0.093 -1.955 0.419) 2.002 5.973 ( 0.081 -2.333 -0.268) 2.350 6.468 ( -0.420 2.956 0.663) 3.058 6.486 ( 0.766 2.182 -1.075) 2.550 6.547 ( -0.864 -0.527 0.892) 1.349 6.561 ( 0.564 -0.901 -0.394) 1.133 7.162 ( 1.313 -0.551 0.421) 1.485 7.173 ( -3.169 -0.621 -0.676) 3.299 7.208 ( 3.479 -1.533 0.911) 3.909 7.222 ( -1.554 -2.014 -0.431) 2.580 7.384 ( 2.328 2.567 1.585) 3.811 7.432 ( -2.692 1.216 -2.950) 4.175 7.540 ( -1.905 -2.842 1.085) 3.589 7.553 ( 2.116 -3.382 -0.222) 3.995 7.820 ( 2.367 -0.839 0.564) 2.574 7.837 ( -2.587 -1.618 -1.051) 3.227 7.891 ( 1.545 -2.725 0.985) 3.284 7.907 ( -1.247 -2.941 -0.532) 3.239 11.542 ( 0.072 -0.536 0.055) 0.544 11.544 ( -0.072 -0.599 -0.073) 0.607 11.570 ( 0.081 -1.916 0.139) 1.923 11.572 ( -0.066 -1.927 -0.113) 1.931 14.997 ( 0.322 0.590 0.592) 0.896 15.008 ( -0.516 0.076 -0.355) 0.631 15.049 ( 0.689 0.522 0.205) 0.889 15.055 ( -0.486 0.331 -0.311) 0.666 15.405 ( 0.062 4.718 0.417) 4.737 15.421 ( -0.021 3.796 -1.196) 3.980 15.509 ( -0.486 0.108 2.734) 2.779 15.560 ( 0.494 -2.588 -1.997) 3.306 16.067 ( 0.910 -0.838 0.773) 1.459 16.088 ( -1.324 -1.483 -1.156) 2.299 16.163 ( 2.439 -1.507 1.025) 3.045 16.183 ( -2.110 -2.177 -0.852) 3.149 ======================= Grid point 106 (51/65) ======================= q-point: ( 0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.004 ( -0.417 10.654 -3.903) 11.354 1.009 ( 1.526 10.762 4.700) 11.843 1.153 ( 2.882 8.633 0.545) 9.117 1.192 ( 2.369 7.090 -0.987) 7.540 1.385 ( 6.793 -0.124 -1.849) 7.042 1.444 ( 8.284 2.160 1.924) 8.774 1.506 ( -0.330 0.682 0.076) 0.761 1.547 ( 2.160 0.400 -0.066) 2.198 1.678 ( 0.712 -1.948 0.476) 2.128 1.708 ( -0.644 -0.405 -0.659) 1.006 1.761 ( 0.885 -0.086 1.043) 1.371 1.770 ( 4.628 -4.274 -0.786) 6.348 2.014 ( -1.534 1.733 -0.474) 2.362 2.146 ( -3.227 -3.096 -2.826) 5.290 2.167 ( -0.994 1.282 1.456) 2.180 2.194 ( 4.036 3.988 2.801) 6.328 2.287 ( 0.010 0.428 0.344) 0.549 2.342 ( 0.967 2.160 0.218) 2.377 2.402 ( 4.300 3.333 -2.288) 5.902 2.471 ( 3.061 -0.180 0.147) 3.070 2.883 ( -2.502 1.034 1.196) 2.960 2.901 ( -1.857 2.004 0.527) 2.782 2.931 ( -2.203 0.830 -2.059) 3.127 2.936 ( -0.819 0.948 0.109) 1.258 3.058 ( -1.985 1.256 0.728) 2.459 3.108 ( -0.557 2.280 -0.925) 2.523 3.185 ( -3.544 -6.765 0.956) 7.696 3.274 ( 1.255 -4.196 0.384) 4.396 3.321 ( 0.923 -4.003 0.509) 4.140 3.346 ( -2.395 -1.405 -0.111) 2.779 3.371 ( 4.568 0.351 0.284) 4.591 3.472 ( 0.149 -1.879 -0.791) 2.045 3.642 ( -0.521 -0.573 -0.378) 0.862 3.701 ( -3.918 2.459 -0.272) 4.633 3.782 ( -0.487 -2.621 -0.375) 2.692 3.863 ( -1.946 -4.062 -0.336) 4.516 4.007 ( -1.344 1.178 0.926) 2.013 4.054 ( -0.807 -0.705 -0.968) 1.444 4.114 ( -1.358 -0.814 1.365) 2.090 4.121 ( -1.146 -1.897 -1.197) 2.519 4.563 ( 2.528 12.131 1.984) 12.549 4.623 ( 0.129 8.823 0.355) 8.832 4.711 ( 6.653 5.422 -1.625) 8.735 4.768 ( 4.165 4.698 0.202) 6.282 4.898 ( -1.507 1.507 -0.013) 2.132 4.925 ( -2.169 1.126 0.176) 2.450 4.970 ( 1.503 -2.685 1.459) 3.405 5.014 ( 1.382 -4.900 -1.821) 5.407 5.808 ( 2.981 7.297 -0.230) 7.886 5.810 ( 3.106 6.699 0.207) 7.387 5.967 ( -0.023 -1.054 0.144) 1.065 5.986 ( 0.512 -1.282 -0.069) 1.382 6.419 ( -4.582 2.851 0.348) 5.408 6.442 ( -4.339 2.527 -0.698) 5.069 6.513 ( -3.364 -0.994 0.586) 3.556 6.537 ( -3.529 -1.788 -0.267) 3.965 6.928 ( -13.647 1.751 0.158) 13.759 6.958 ( -14.574 1.709 -0.176) 14.674 7.039 ( -11.023 -3.108 0.843) 11.484 7.093 ( -10.350 -4.991 -0.961) 11.530 7.475 ( 4.594 0.808 -0.850) 4.742 7.539 ( 3.331 -0.150 0.955) 3.469 7.579 ( 1.877 -3.327 0.508) 3.854 7.648 ( 2.656 -4.719 -0.511) 5.440 7.884 ( 8.733 0.823 -0.569) 8.790 7.923 ( 7.281 0.077 0.344) 7.289 7.983 ( 8.062 -3.512 -0.693) 8.821 8.015 ( 8.378 -4.259 0.872) 9.438 11.539 ( -0.321 -0.468 -0.078) 0.573 11.541 ( -0.227 -0.524 0.082) 0.577 11.569 ( -0.117 -1.937 -0.106) 1.944 11.573 ( 0.018 -2.053 0.073) 2.055 14.980 ( -1.778 0.887 -0.187) 1.996 14.999 ( -0.696 0.244 0.747) 1.050 15.034 ( -1.254 0.527 -0.884) 1.622 15.056 ( -0.116 -0.270 0.350) 0.457 15.413 ( 0.357 4.499 0.356) 4.527 15.416 ( 0.294 3.828 -0.610) 3.887 15.483 ( -2.269 1.676 0.690) 2.904 15.542 ( -1.538 -1.238 -0.403) 2.015 16.100 ( 2.641 1.060 -0.184) 2.852 16.134 ( 4.693 -1.093 0.875) 4.898 16.181 ( 4.393 -2.190 -1.707) 5.197 16.299 ( 8.106 -6.808 0.948) 10.628 ======================= Grid point 107 (52/65) ======================= q-point: ( 0.25 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.032 ( 5.541 8.036 -2.090) 9.982 1.100 ( 5.355 7.313 2.871) 9.508 1.185 ( 1.037 3.199 0.239) 3.372 1.210 ( 0.990 4.238 -0.790) 4.423 1.464 ( 0.663 -0.999 -0.027) 1.199 1.506 ( 1.022 -0.027 0.277) 1.059 1.550 ( 0.455 -0.875 -0.085) 0.990 1.568 ( -3.211 0.066 -0.249) 3.222 1.708 ( 5.842 5.940 -0.167) 8.333 1.729 ( 3.021 2.788 -0.539) 4.146 1.835 ( 4.598 0.358 0.082) 4.612 1.887 ( 5.137 -3.942 0.889) 6.535 2.013 ( -0.122 -1.981 1.524) 2.502 2.077 ( -1.750 -2.942 -3.000) 4.552 2.138 ( -1.546 1.931 0.327) 2.495 2.207 ( -3.464 -2.011 0.599) 4.050 2.350 ( 6.266 5.991 1.144) 8.745 2.412 ( 3.802 3.357 0.080) 5.073 2.464 ( 3.439 4.504 -1.753) 5.931 2.525 ( 2.130 0.903 0.403) 2.349 2.837 ( -2.407 1.170 0.788) 2.790 2.859 ( -1.947 1.745 -0.919) 2.771 2.884 ( -0.618 0.937 0.177) 1.136 2.933 ( 1.044 -1.222 -0.510) 1.686 3.036 ( -0.006 2.250 -1.500) 2.704 3.094 ( -1.396 0.530 2.401) 2.828 3.150 ( -1.256 -3.497 1.871) 4.160 3.210 ( -3.829 -2.691 -2.319) 5.223 3.335 ( 0.417 -2.389 1.020) 2.631 3.367 ( 0.670 0.315 -0.332) 0.812 3.441 ( -0.860 4.372 -0.063) 4.456 3.471 ( 4.567 -0.507 -0.101) 4.596 3.659 ( 1.120 -2.243 0.149) 2.511 3.680 ( 0.668 -4.650 -0.666) 4.745 3.732 ( -3.042 -2.813 -0.361) 4.159 3.794 ( -5.524 -4.685 0.784) 7.286 3.951 ( -3.266 3.471 -1.630) 5.037 4.043 ( 0.155 -1.749 1.146) 2.096 4.051 ( -2.948 -1.579 0.097) 3.346 4.100 ( -1.366 -2.602 0.104) 2.941 4.622 ( 0.512 12.628 -0.030) 12.639 4.637 ( 1.511 12.223 0.147) 12.317 4.773 ( -1.184 4.749 -0.151) 4.896 4.806 ( -1.116 4.482 0.073) 4.620 4.894 ( 2.481 0.855 -0.423) 2.658 4.926 ( 2.850 -0.425 0.671) 2.959 5.018 ( 2.955 -2.716 -2.074) 4.517 5.060 ( 2.890 -5.799 1.944) 6.765 5.871 ( 2.658 5.982 -0.024) 6.546 5.876 ( 2.699 5.444 0.202) 6.080 5.942 ( -2.803 1.834 -0.213) 3.357 5.963 ( -2.839 1.443 -0.004) 3.185 6.315 ( -5.859 1.885 -0.030) 6.155 6.333 ( -6.013 1.775 0.061) 6.270 6.439 ( -3.418 -2.727 0.182) 4.376 6.441 ( -3.806 -2.613 -0.220) 4.622 6.716 ( -7.817 3.368 -0.705) 8.541 6.757 ( -5.755 2.586 0.817) 6.362 6.883 ( -5.330 -4.195 0.228) 6.787 6.932 ( -5.546 -6.530 -0.523) 8.583 7.530 ( -1.720 1.562 -0.106) 2.326 7.541 ( 1.707 -1.852 0.021) 2.519 7.564 ( -2.152 -2.955 0.680) 3.718 7.673 ( -0.169 -4.774 -0.452) 4.798 8.045 ( 7.118 -0.392 -0.629) 7.156 8.077 ( 6.359 -0.724 0.505) 6.420 8.120 ( 5.777 -3.703 -0.639) 6.891 8.159 ( 4.862 -4.777 0.788) 6.862 11.531 ( -0.420 -0.320 -0.031) 0.529 11.535 ( -0.345 -0.482 0.025) 0.594 11.565 ( -0.330 -1.994 0.002) 2.021 11.570 ( -0.338 -2.104 -0.026) 2.131 14.942 ( -1.823 1.488 -0.137) 2.357 14.986 ( -1.373 1.435 1.023) 2.234 15.001 ( -1.110 -0.794 -1.069) 1.734 15.052 ( -0.463 -1.096 0.144) 1.199 15.424 ( 0.927 4.147 0.019) 4.250 15.427 ( 0.788 3.698 0.155) 3.784 15.458 ( -0.254 3.030 -0.376) 3.064 15.511 ( -1.270 0.910 0.312) 1.593 16.169 ( 3.962 3.053 0.505) 5.028 16.234 ( 5.226 -0.414 -1.750) 5.527 16.290 ( 6.311 -4.616 0.806) 7.861 16.457 ( 7.038 -10.028 0.402) 12.258 ======================= Grid point 108 (53/65) ======================= q-point: ( 0.38 0.38 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.181 ( 9.281 2.201 -0.321) 9.544 1.187 ( 1.958 2.431 -0.383) 3.145 1.243 ( 2.651 1.561 0.610) 3.136 1.251 ( 5.236 1.297 -0.088) 5.395 1.463 ( -2.467 2.604 -0.421) 3.612 1.484 ( -0.659 1.265 0.186) 1.439 1.507 ( -0.617 0.162 0.686) 0.937 1.550 ( -1.330 2.603 -0.245) 2.934 1.773 ( 1.604 4.938 -0.057) 5.192 1.795 ( 2.752 4.903 0.002) 5.623 1.890 ( 0.539 -1.268 0.514) 1.470 1.944 ( 0.787 -1.220 0.770) 1.643 1.984 ( -3.622 -2.570 0.198) 4.446 2.048 ( -0.725 -2.760 0.901) 2.992 2.099 ( -2.119 0.969 -1.721) 2.897 2.145 ( -2.384 -1.004 -1.345) 2.915 2.445 ( 2.319 3.782 0.429) 4.457 2.471 ( 2.486 2.968 -0.922) 3.980 2.518 ( 2.560 3.647 0.579) 4.493 2.562 ( 1.342 1.159 0.359) 1.809 2.822 ( 0.662 1.574 0.228) 1.723 2.855 ( 1.230 3.283 -0.312) 3.520 2.886 ( 0.068 -0.431 0.298) 0.529 2.954 ( 0.806 -1.340 -0.881) 1.795 3.037 ( 0.909 1.961 -0.970) 2.369 3.079 ( -1.913 1.678 1.629) 3.022 3.133 ( -2.261 -1.189 2.199) 3.371 3.156 ( 1.102 -1.287 -2.820) 3.291 3.359 ( 1.427 -0.527 0.255) 1.542 3.376 ( 0.854 1.158 0.218) 1.455 3.422 ( 0.031 4.041 0.717) 4.104 3.526 ( 0.332 0.720 -2.473) 2.597 3.615 ( -4.638 -3.119 0.569) 5.618 3.655 ( -7.249 -2.743 0.097) 7.751 3.695 ( -1.542 -7.091 0.646) 7.285 3.709 ( 0.913 -10.065 0.751) 10.134 3.939 ( 2.191 3.219 0.695) 3.956 4.033 ( 1.689 -1.025 -0.405) 2.016 4.071 ( 0.806 -0.720 1.383) 1.755 4.087 ( 0.618 -1.279 -1.482) 2.053 4.613 ( 0.166 12.430 -0.307) 12.435 4.656 ( 0.366 10.734 0.589) 10.757 4.719 ( -3.028 6.431 -0.097) 7.109 4.766 ( -2.256 5.201 -0.167) 5.672 4.962 ( 2.087 -2.416 -0.481) 3.228 4.979 ( 3.926 -1.305 -0.101) 4.139 5.053 ( 0.681 -1.906 -0.591) 2.109 5.094 ( -0.956 -4.986 0.950) 5.165 5.865 ( -1.758 3.961 0.056) 4.334 5.871 ( -2.121 3.692 -0.061) 4.258 5.905 ( -1.559 2.407 0.326) 2.886 5.924 ( -1.414 1.670 -0.295) 2.208 6.226 ( -2.156 3.900 -0.283) 4.465 6.243 ( -2.709 3.807 0.320) 4.683 6.411 ( 0.215 -2.683 -0.269) 2.705 6.417 ( 0.134 -2.428 0.186) 2.439 6.625 ( -1.961 3.743 0.159) 4.228 6.695 ( -2.029 2.885 -0.047) 3.527 6.819 ( -1.295 -6.097 -0.453) 6.250 6.858 ( -2.424 -6.550 0.234) 6.988 7.492 ( -1.709 1.786 0.257) 2.485 7.519 ( -1.259 -0.140 -0.747) 1.471 7.576 ( 0.269 -3.312 1.727) 3.745 7.646 ( -1.501 -4.859 -1.189) 5.223 8.143 ( 3.396 -1.803 -0.124) 3.847 8.161 ( 2.415 -1.720 0.121) 2.967 8.187 ( 1.636 -3.934 -0.419) 4.281 8.209 ( 0.334 -4.195 0.479) 4.235 11.524 ( -0.262 -0.324 0.056) 0.420 11.529 ( -0.229 -0.535 -0.074) 0.587 11.557 ( -0.388 -1.920 0.039) 1.959 11.562 ( -0.410 -2.035 -0.025) 2.076 14.914 ( -0.968 1.834 0.233) 2.087 14.954 ( -1.470 2.123 -0.900) 2.735 14.992 ( -0.195 -1.613 1.044) 1.932 15.041 ( -0.576 -1.696 -0.386) 1.832 15.445 ( 0.943 3.849 0.110) 3.964 15.447 ( 1.082 3.588 -0.058) 3.748 15.464 ( 0.831 3.159 -0.212) 3.273 15.497 ( -0.590 2.171 0.265) 2.265 16.242 ( 2.717 3.916 0.838) 4.839 16.301 ( 3.072 0.386 -3.005) 4.315 16.412 ( 4.473 -5.720 3.395) 8.016 16.557 ( 3.332 -10.543 -1.298) 11.133 ======================= Grid point 109 (54/65) ======================= q-point: (-0.50 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.214 ( 1.231 0.197 0.812) 1.488 1.242 ( -2.226 -0.412 -1.807) 2.897 1.310 ( -2.950 -2.563 0.543) 3.946 1.320 ( 3.271 -3.705 -0.246) 4.948 1.451 ( 3.030 5.914 0.928) 6.709 1.475 ( -2.289 5.550 -1.110) 6.105 1.503 ( -0.194 5.202 1.266) 5.358 1.523 ( 0.432 3.371 -0.262) 3.409 1.798 ( -0.309 4.306 0.617) 4.361 1.814 ( 0.812 4.058 -0.857) 4.226 1.900 ( -1.931 -0.914 0.770) 2.271 1.918 ( 1.423 -0.706 -0.475) 1.658 1.968 ( 0.309 -1.335 3.230) 3.508 2.017 ( -1.887 -2.140 -0.887) 2.988 2.081 ( 1.478 -0.330 -0.420) 1.571 2.106 ( -0.368 -1.187 -2.567) 2.852 2.466 ( -0.354 3.559 0.835) 3.672 2.489 ( -0.230 2.954 -0.990) 3.124 2.555 ( -0.557 1.330 0.836) 1.667 2.574 ( 1.243 0.319 -0.653) 1.440 2.849 ( 1.683 3.004 -0.307) 3.457 2.852 ( -1.036 2.585 -0.469) 2.824 2.904 ( 0.495 0.107 1.680) 1.754 2.936 ( -1.487 -0.715 -1.164) 2.019 3.038 ( -0.592 2.107 0.671) 2.290 3.074 ( 1.978 2.594 -2.480) 4.098 3.115 ( -1.625 -1.269 2.654) 3.360 3.177 ( 1.862 -2.574 -2.704) 4.172 3.334 ( -3.438 3.953 4.886) 7.163 3.431 ( 4.743 0.894 -3.105) 5.739 3.467 ( 0.272 1.022 0.274) 1.093 3.497 ( -3.143 -0.724 -1.339) 3.492 3.535 ( -0.216 -1.557 1.510) 2.180 3.560 ( 0.221 -1.785 -0.771) 1.957 3.690 ( -0.068 -9.684 1.084) 9.745 3.711 ( 0.244 -10.397 -0.746) 10.427 4.006 ( 1.800 1.979 2.728) 3.821 4.050 ( -0.821 0.043 -0.626) 1.033 4.063 ( -2.460 1.444 0.803) 2.963 4.100 ( 1.594 -0.085 -1.998) 2.557 4.631 ( 0.146 10.735 1.141) 10.797 4.660 ( -0.202 11.143 -1.527) 11.249 4.693 ( 1.153 5.472 1.447) 5.776 4.724 ( -1.075 5.707 -1.315) 5.955 5.002 ( 1.317 -5.657 0.973) 5.890 5.025 ( -1.219 -4.807 -1.129) 5.086 5.048 ( 0.616 -1.187 0.367) 1.386 5.056 ( -0.723 -0.218 -0.274) 0.803 5.858 ( -0.677 2.258 0.452) 2.400 5.868 ( 0.356 2.657 -0.103) 2.683 5.870 ( 1.336 2.356 0.301) 2.725 5.884 ( -1.023 1.443 -0.641) 1.881 6.217 ( 0.135 5.544 0.179) 5.548 6.220 ( -0.109 5.783 -0.093) 5.784 6.417 ( -0.114 -2.115 0.059) 2.118 6.420 ( 0.088 -1.893 -0.159) 1.902 6.624 ( 1.053 3.257 1.516) 3.744 6.658 ( -1.145 2.943 -1.539) 3.512 6.819 ( 0.614 -6.839 0.372) 6.877 6.828 ( -0.508 -6.807 -0.400) 6.838 7.479 ( 0.060 1.859 0.751) 2.006 7.499 ( -0.198 0.515 -1.051) 1.187 7.589 ( 0.208 -3.546 1.644) 3.914 7.621 ( -0.023 -4.355 -1.324) 4.552 8.176 ( -0.473 -2.531 0.504) 2.624 8.187 ( 0.713 -2.781 -0.494) 2.914 8.199 ( -1.002 -3.273 0.165) 3.427 8.202 ( 0.722 -3.779 -0.113) 3.849 11.523 ( 0.040 -0.431 0.141) 0.455 11.526 ( -0.047 -0.520 -0.162) 0.547 11.554 ( -0.013 -1.893 0.129) 1.898 11.557 ( 0.028 -1.949 -0.107) 1.952 14.910 ( 0.208 1.935 0.690) 2.065 14.929 ( -0.349 1.965 -1.117) 2.287 15.002 ( 0.464 -1.599 1.392) 2.171 15.027 ( -0.315 -1.817 -0.958) 2.078 15.454 ( -0.163 3.627 0.117) 3.632 15.459 ( 0.224 3.682 -0.371) 3.707 15.481 ( 0.693 2.856 0.342) 2.959 15.485 ( -0.773 2.794 0.002) 2.899 16.274 ( -0.158 3.934 1.206) 4.118 16.313 ( -0.032 1.403 -2.594) 2.949 16.491 ( 1.049 -7.066 4.246) 8.310 16.568 ( -0.846 -9.790 -2.935) 10.255 ======================= Grid point 110 (55/65) ======================= q-point: (-0.38 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.173 ( -8.772 3.563 0.249) 9.471 1.186 ( -2.220 2.500 -0.532) 3.385 1.233 ( -2.478 1.423 1.190) 3.095 1.256 ( -5.325 0.199 -0.336) 5.339 1.462 ( 1.468 1.141 -0.158) 1.866 1.507 ( 1.012 0.089 -1.462) 1.780 1.515 ( 1.262 2.253 0.112) 2.585 1.539 ( 0.842 1.879 0.630) 2.153 1.783 ( -1.200 5.988 -0.930) 6.177 1.794 ( -2.713 3.545 0.288) 4.473 1.892 ( -0.500 -1.387 0.378) 1.522 1.954 ( 0.211 -2.719 1.979) 3.370 1.964 ( 0.090 0.805 -0.604) 1.010 2.054 ( 2.875 0.247 1.770) 3.385 2.096 ( 1.460 -2.091 -2.588) 3.634 2.125 ( 2.799 -2.162 -0.006) 3.537 2.435 ( -3.206 6.010 1.035) 6.890 2.463 ( -1.849 3.097 -0.273) 3.617 2.529 ( -1.826 2.416 -0.393) 3.054 2.576 ( -1.509 0.498 -0.325) 1.622 2.834 ( -0.381 2.284 -0.543) 2.378 2.849 ( -1.615 1.929 0.175) 2.522 2.895 ( -0.332 -0.402 -0.241) 0.574 2.929 ( -0.440 -1.262 0.649) 1.486 3.029 ( -0.636 2.508 -0.145) 2.592 3.095 ( -0.076 0.297 1.258) 1.295 3.113 ( 1.503 1.123 -0.136) 1.881 3.202 ( 3.784 -2.358 -3.762) 5.834 3.328 ( -0.559 2.466 2.978) 3.906 3.391 ( -4.343 0.944 -0.677) 4.496 3.435 ( -1.491 2.623 -0.046) 3.017 3.474 ( 0.294 -1.459 0.535) 1.581 3.619 ( 5.976 -3.849 0.520) 7.127 3.655 ( 5.194 -1.537 -0.226) 5.422 3.708 ( 2.896 -8.535 0.001) 9.012 3.723 ( 0.215 -8.077 -0.263) 8.084 3.977 ( -3.082 1.454 -2.526) 4.241 4.014 ( -2.112 2.540 2.330) 4.043 4.039 ( -0.406 -2.181 1.067) 2.462 4.102 ( -0.536 -1.434 -0.876) 1.764 4.617 ( -0.307 12.353 -0.571) 12.370 4.659 ( -0.230 11.753 0.455) 11.764 4.728 ( 2.552 4.833 -0.818) 5.526 4.751 ( 2.956 5.694 0.926) 6.482 4.962 ( -3.117 -1.492 -0.424) 3.482 4.979 ( -3.017 -2.183 -0.146) 3.727 5.047 ( -2.001 -2.015 -0.062) 2.841 5.098 ( 2.303 -4.802 0.560) 5.355 5.865 ( 1.364 3.759 0.022) 3.999 5.870 ( 2.262 4.005 -0.043) 4.600 5.914 ( 1.691 1.750 0.471) 2.479 5.915 ( 1.545 2.066 -0.443) 2.618 6.225 ( 2.224 3.940 -0.230) 4.530 6.244 ( 2.548 3.743 0.245) 4.535 6.407 ( -0.276 -2.696 -0.009) 2.710 6.419 ( -0.030 -2.355 0.003) 2.355 6.643 ( 1.127 3.303 -1.386) 3.756 6.676 ( 2.965 3.128 1.538) 4.576 6.816 ( 0.682 -5.636 -0.205) 5.681 6.862 ( 2.910 -6.724 -0.021) 7.327 7.495 ( 1.291 0.880 0.199) 1.575 7.508 ( 1.369 0.884 -0.104) 1.633 7.604 ( 0.412 -4.224 1.113) 4.387 7.627 ( 1.191 -4.186 -1.261) 4.531 8.140 ( -3.321 -1.623 0.011) 3.697 8.162 ( -2.571 -1.942 0.026) 3.222 8.185 ( -1.422 -3.543 -0.244) 3.826 8.211 ( -0.515 -4.477 0.297) 4.516 11.526 ( 0.213 -0.370 -0.114) 0.441 11.527 ( 0.279 -0.469 0.115) 0.557 11.557 ( 0.331 -1.924 0.037) 1.952 11.562 ( 0.478 -2.057 -0.056) 2.113 14.922 ( 0.709 1.895 -0.200) 2.033 14.936 ( 1.462 1.621 0.307) 2.205 15.018 ( 0.146 -1.483 -1.142) 1.877 15.024 ( 0.882 -1.390 1.019) 1.936 15.443 ( -0.909 4.037 0.148) 4.140 15.450 ( -0.972 3.633 -0.142) 3.763 15.465 ( -0.981 3.072 -0.283) 3.237 15.495 ( 0.563 2.022 0.357) 2.129 16.249 ( -3.259 2.895 1.360) 4.567 16.272 ( -2.727 2.229 -1.590) 3.864 16.480 ( -4.795 -8.276 -1.008) 9.618 16.510 ( -2.757 -8.815 1.178) 9.312 ======================= Grid point 111 (56/65) ======================= q-point: (-0.25 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.007 ( -6.886 9.508 0.099) 11.741 1.133 ( -3.108 5.950 0.089) 6.713 1.168 ( -1.639 4.393 1.272) 4.858 1.217 ( -1.268 2.590 -1.081) 3.080 1.465 ( -1.458 -0.637 -0.156) 1.599 1.521 ( 0.800 -1.287 -0.544) 1.610 1.539 ( 0.319 0.899 0.387) 1.030 1.565 ( 1.069 -0.867 0.060) 1.377 1.707 ( -4.165 4.185 -0.193) 5.907 1.731 ( -4.909 5.147 -0.602) 7.138 1.834 ( -4.825 -1.456 0.202) 5.044 1.900 ( -5.698 -4.038 0.081) 6.984 2.011 ( 2.604 0.503 2.346) 3.541 2.057 ( -0.858 0.019 -2.256) 2.414 2.139 ( 2.088 -0.605 -0.013) 2.174 2.199 ( 4.286 -2.998 1.218) 5.371 2.361 ( -5.764 6.227 0.490) 8.499 2.399 ( -3.727 2.951 0.414) 4.772 2.471 ( -3.648 4.272 -1.601) 5.841 2.531 ( -2.524 1.051 -0.062) 2.735 2.837 ( 1.461 0.989 0.706) 1.901 2.856 ( 2.338 0.967 -0.685) 2.622 2.888 ( 0.334 1.373 -0.026) 1.414 2.920 ( -0.091 -1.566 0.192) 1.581 3.016 ( -0.381 3.104 0.123) 3.130 3.122 ( 2.127 -1.137 1.757) 2.984 3.147 ( 2.067 -0.897 -0.891) 2.423 3.250 ( 2.482 -5.226 -3.290) 6.655 3.333 ( -0.707 -1.089 1.037) 1.661 3.369 ( 1.614 1.924 -1.252) 2.806 3.392 ( -3.186 3.829 3.312) 5.981 3.473 ( -0.782 -1.413 0.360) 1.654 3.672 ( 0.176 -4.325 -0.042) 4.329 3.684 ( -1.937 -2.753 -1.519) 3.693 3.737 ( 1.690 -2.586 -0.512) 3.131 3.806 ( 6.066 -4.641 0.003) 7.638 3.946 ( 1.912 2.437 -1.476) 3.431 4.024 ( 2.040 -2.020 1.821) 3.400 4.061 ( 0.725 -2.059 0.081) 2.184 4.098 ( 1.675 -0.978 0.253) 1.956 4.612 ( -0.640 12.061 0.376) 12.084 4.649 ( -1.533 12.705 -0.429) 12.804 4.775 ( 1.736 4.258 -0.378) 4.614 4.803 ( 0.591 6.023 0.286) 6.059 4.891 ( -2.682 0.781 -0.164) 2.798 4.932 ( -2.255 -0.515 0.221) 2.323 4.975 ( -3.843 -2.580 1.078) 4.753 5.100 ( -1.961 -6.815 -0.964) 7.157 5.870 ( -2.628 5.772 0.071) 6.342 5.880 ( -2.744 5.861 -0.073) 6.471 5.939 ( 2.356 2.206 -0.076) 3.228 5.962 ( 3.210 1.134 0.102) 3.406 6.313 ( 5.700 1.773 0.053) 5.969 6.335 ( 6.237 1.924 -0.050) 6.527 6.435 ( 3.647 -2.878 0.174) 4.649 6.445 ( 3.528 -2.528 -0.172) 4.344 6.712 ( 7.430 3.303 -0.322) 8.138 6.763 ( 6.075 2.678 0.338) 6.648 6.872 ( 5.460 -4.435 0.713) 7.071 6.938 ( 5.405 -6.191 -0.717) 8.250 7.526 ( 0.339 0.622 0.065) 0.711 7.534 ( 1.683 -0.445 0.411) 1.789 7.600 ( -0.575 -3.631 -1.568) 3.997 7.652 ( 1.057 -4.813 1.021) 5.032 8.040 ( -7.185 -0.171 -0.225) 7.191 8.081 ( -6.237 -0.990 0.177) 6.317 8.117 ( -5.657 -3.386 -0.350) 6.602 8.163 ( -5.054 -4.963 0.436) 7.097 11.532 ( 0.364 -0.279 -0.075) 0.465 11.535 ( 0.400 -0.507 0.090) 0.652 11.565 ( 0.360 -1.974 -0.006) 2.007 11.570 ( 0.303 -2.141 -0.042) 2.163 14.943 ( 1.534 1.549 -0.195) 2.188 14.975 ( 1.888 0.947 0.903) 2.297 15.017 ( 0.556 -0.534 -1.333) 1.540 15.047 ( 0.738 -0.954 0.633) 1.362 15.424 ( -1.075 4.524 0.029) 4.650 15.433 ( -0.358 3.626 -0.215) 3.650 15.450 ( -0.081 2.873 0.091) 2.875 15.514 ( 1.276 0.743 0.154) 1.485 16.172 ( -4.891 1.125 0.661) 5.062 16.200 ( -3.821 2.664 0.036) 4.658 16.340 ( -7.536 -6.746 -2.804) 10.496 16.438 ( -6.150 -9.088 2.018) 11.158 ======================= Grid point 112 (57/65) ======================= q-point: (-0.12 0.38 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.937 ( -1.103 13.145 2.140) 13.364 1.097 ( 0.066 7.109 -3.073) 7.745 1.138 ( -3.129 8.669 1.723) 9.377 1.191 ( -1.471 7.070 -0.747) 7.260 1.365 ( -7.891 2.416 -0.142) 8.254 1.461 ( -8.171 1.450 0.420) 8.310 1.506 ( -0.948 1.208 0.030) 1.536 1.554 ( -0.860 -0.542 -0.468) 1.119 1.676 ( 0.315 1.170 0.683) 1.390 1.702 ( -0.075 -2.992 -0.521) 3.038 1.746 ( -2.533 -2.082 0.938) 3.410 1.784 ( -3.334 -2.200 -0.458) 4.020 2.027 ( 0.181 1.705 -1.696) 2.412 2.085 ( 2.998 -1.216 2.170) 3.896 2.175 ( 0.679 1.305 0.743) 1.648 2.245 ( -4.011 4.899 -0.751) 6.376 2.280 ( 2.144 -2.599 0.876) 3.481 2.355 ( -0.337 0.229 0.345) 0.534 2.375 ( -4.623 5.185 -1.811) 7.179 2.475 ( -3.187 -0.094 -0.137) 3.191 2.885 ( 1.630 0.260 1.823) 2.459 2.898 ( 2.146 0.772 0.094) 2.283 2.910 ( 1.506 2.031 -0.552) 2.588 2.945 ( 2.163 0.889 -0.790) 2.469 3.030 ( 1.553 2.944 1.134) 3.517 3.158 ( 1.084 -0.403 -2.726) 2.961 3.197 ( 2.793 -5.570 0.072) 6.231 3.277 ( -0.049 -5.890 -0.132) 5.891 3.296 ( -1.154 -1.990 2.096) 3.112 3.343 ( -1.733 -1.150 -0.118) 2.083 3.398 ( -0.445 0.601 -0.541) 0.923 3.458 ( -0.885 -1.981 -0.214) 2.181 3.641 ( 1.320 -0.598 -0.442) 1.515 3.709 ( 3.401 1.724 -0.665) 3.871 3.771 ( 1.074 -1.740 0.332) 2.072 3.874 ( 1.527 -4.755 -0.953) 5.084 3.998 ( 1.756 1.176 1.164) 2.413 4.048 ( -0.433 -1.933 -0.148) 1.987 4.094 ( 2.247 -1.024 0.783) 2.590 4.136 ( 0.905 -0.715 -0.441) 1.235 4.592 ( -2.463 9.313 2.870) 10.052 4.601 ( -1.632 10.580 -1.049) 10.756 4.714 ( -4.701 7.158 -1.737) 8.738 4.762 ( -5.114 3.728 0.649) 6.362 4.876 ( -0.500 4.245 1.115) 4.417 4.921 ( 2.885 -2.270 0.508) 3.705 4.980 ( 1.388 -2.321 0.042) 2.705 5.037 ( -2.704 -4.206 -2.223) 5.472 5.804 ( -3.072 7.086 0.057) 7.723 5.814 ( -3.103 7.034 -0.114) 7.689 5.966 ( 0.096 -0.376 0.229) 0.451 5.985 ( -0.514 -1.864 -0.035) 1.934 6.420 ( 4.681 2.968 0.347) 5.553 6.438 ( 4.198 2.610 -0.558) 4.975 6.521 ( 3.279 -1.141 0.353) 3.490 6.529 ( 3.623 -1.835 -0.066) 4.062 6.933 ( 14.458 1.907 -0.197) 14.584 6.951 ( 13.515 1.615 0.216) 13.613 7.049 ( 12.029 -3.139 0.627) 12.447 7.078 ( 9.482 -4.685 -0.491) 10.588 7.476 ( -5.317 0.426 -0.811) 5.395 7.548 ( -1.311 -0.370 0.401) 1.420 7.585 ( -2.489 -2.803 0.185) 3.753 7.640 ( -3.272 -5.269 -0.141) 6.204 7.879 ( -7.698 1.158 -0.184) 7.787 7.927 ( -8.180 -0.326 -0.000) 8.187 7.974 ( -7.954 -3.066 0.099) 8.525 8.025 ( -8.465 -4.527 0.065) 9.600 11.538 ( 0.301 -0.398 0.000) 0.499 11.542 ( 0.264 -0.580 0.009) 0.637 11.569 ( 0.037 -1.964 -0.034) 1.965 11.573 ( 0.049 -2.025 0.018) 2.026 14.974 ( 1.562 1.055 0.200) 1.895 15.008 ( 0.670 -0.523 0.452) 0.963 15.027 ( 1.374 1.088 -0.674) 1.877 15.058 ( 0.216 -0.257 0.131) 0.360 15.408 ( -0.555 4.730 0.115) 4.764 15.427 ( 0.040 3.567 -0.928) 3.686 15.473 ( 1.805 1.840 1.357) 2.913 15.545 ( 1.772 -1.350 -0.518) 2.287 16.089 ( -3.403 0.022 0.465) 3.435 16.142 ( -1.667 1.709 0.452) 2.430 16.181 ( -6.764 -4.275 -1.677) 8.176 16.305 ( -7.857 -6.656 0.524) 10.311 ======================= Grid point 113 (58/65) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( 1.143 -9.635 2.036) 9.914 1.191 ( 1.143 9.635 2.036) 9.914 1.244 ( -0.955 -7.408 -2.220) 7.793 1.244 ( -0.955 7.408 -2.220) 7.793 1.348 ( -1.033 -8.439 0.794) 8.539 1.348 ( -1.033 8.439 0.794) 8.539 1.383 ( 0.647 -7.146 -0.409) 7.187 1.383 ( 0.647 7.146 -0.409) 7.187 1.696 ( -0.160 -2.005 -0.396) 2.050 1.696 ( -0.160 2.005 -0.396) 2.050 1.738 ( 0.097 -1.310 -0.020) 1.314 1.738 ( 0.097 1.310 -0.020) 1.314 2.124 ( 2.942 -2.561 2.330) 4.544 2.124 ( 2.942 2.561 2.330) 4.544 2.172 ( -3.222 -3.961 -1.908) 5.451 2.172 ( -3.222 3.961 -1.908) 5.451 2.351 ( -0.599 -3.818 0.939) 3.977 2.351 ( -0.599 3.818 0.939) 3.977 2.381 ( 1.137 -1.605 -1.279) 2.346 2.381 ( 1.137 1.605 -1.279) 2.346 2.922 ( -0.152 -0.382 1.370) 1.431 2.922 ( -0.152 0.382 1.370) 1.431 2.961 ( 0.221 -1.090 -0.387) 1.178 2.961 ( 0.221 1.090 -0.387) 1.178 3.137 ( -1.021 -4.854 0.600) 4.997 3.137 ( -1.021 4.854 0.600) 4.997 3.172 ( 1.068 -2.660 -1.671) 3.318 3.172 ( 1.068 2.660 -1.671) 3.318 3.315 ( 0.326 -3.594 0.523) 3.647 3.315 ( 0.326 3.594 0.523) 3.647 3.353 ( -0.597 -2.626 -0.499) 2.739 3.353 ( -0.597 2.626 -0.499) 2.739 3.718 ( 0.066 -1.418 0.068) 1.421 3.718 ( 0.066 1.418 0.068) 1.421 3.817 ( 0.015 -1.725 -0.586) 1.822 3.817 ( 0.015 1.725 -0.586) 1.822 4.036 ( -0.084 -1.629 1.940) 2.534 4.036 ( -0.084 1.629 1.940) 2.534 4.108 ( 0.397 -0.722 -1.115) 1.387 4.108 ( 0.397 0.722 -1.115) 1.387 4.682 ( -1.498 -2.769 2.404) 3.961 4.682 ( -1.498 2.769 2.404) 3.961 4.736 ( 1.333 -2.379 -1.809) 3.273 4.736 ( 1.334 2.379 -1.809) 3.273 4.925 ( 0.508 -0.593 0.699) 1.049 4.925 ( 0.508 0.593 0.699) 1.049 4.969 ( -0.625 -0.253 -1.298) 1.463 4.969 ( -0.625 0.253 -1.298) 1.463 5.886 ( -0.088 -1.634 -0.246) 1.654 5.886 ( -0.088 1.634 -0.246) 1.654 5.913 ( 0.085 -1.619 0.269) 1.643 5.913 ( 0.085 1.619 0.269) 1.644 6.509 ( 0.003 -0.794 -0.151) 0.809 6.509 ( 0.003 0.795 -0.151) 0.809 6.540 ( 0.013 -0.678 0.192) 0.704 6.540 ( 0.013 0.678 0.192) 0.704 7.163 ( -0.073 -0.549 0.048) 0.556 7.163 ( -0.073 0.549 0.048) 0.556 7.193 ( 0.005 -0.533 -0.042) 0.535 7.193 ( 0.005 0.533 -0.042) 0.535 7.445 ( 0.673 -2.111 -0.166) 2.222 7.445 ( 0.673 2.111 -0.166) 2.222 7.494 ( -0.600 -0.142 0.104) 0.626 7.494 ( -0.600 0.142 0.104) 0.626 7.827 ( 0.153 -0.859 -0.125) 0.882 7.827 ( 0.153 0.859 -0.125) 0.882 7.863 ( -0.153 -0.945 0.112) 0.964 7.863 ( -0.153 0.945 0.112) 0.964 11.543 ( -0.004 -0.358 0.003) 0.358 11.543 ( -0.004 0.358 0.003) 0.358 11.546 ( 0.009 -0.432 -0.001) 0.432 11.546 ( 0.009 0.432 -0.001) 0.432 15.006 ( -0.009 -0.311 0.178) 0.359 15.006 ( -0.009 0.311 0.178) 0.359 15.057 ( 0.018 -0.203 -0.114) 0.234 15.057 ( 0.018 0.203 -0.114) 0.234 15.471 ( -0.061 -0.488 -0.095) 0.501 15.471 ( -0.061 0.488 -0.095) 0.501 15.504 ( 0.052 -1.969 0.113) 1.973 15.504 ( 0.052 1.969 0.113) 1.973 16.066 ( 0.168 -0.692 0.181) 0.735 16.066 ( 0.168 0.692 0.181) 0.735 16.155 ( -0.171 -0.667 -0.272) 0.741 16.155 ( -0.171 0.667 -0.272) 0.741 ======================= Grid point 115 (59/65) ======================= q-point: ( 0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.169 ( -2.405 -6.548 -1.285) 7.094 1.169 ( -2.405 6.548 -1.285) 7.094 1.198 ( 0.044 -6.760 1.322) 6.888 1.198 ( 0.044 6.760 1.322) 6.888 1.447 ( 5.625 -6.254 0.394) 8.420 1.447 ( 5.625 6.254 0.394) 8.420 1.490 ( 6.164 -4.329 0.023) 7.533 1.490 ( 6.164 4.329 0.023) 7.533 1.693 ( 2.629 -3.314 0.006) 4.230 1.693 ( 2.629 3.314 0.006) 4.230 1.741 ( 0.810 -2.560 -0.060) 2.686 1.741 ( 0.810 2.560 -0.060) 2.686 2.073 ( -3.505 -4.127 -1.510) 5.621 2.073 ( -3.505 4.127 -1.510) 5.621 2.197 ( -0.254 -1.615 2.216) 2.754 2.197 ( -0.254 1.615 2.216) 2.754 2.338 ( 2.806 -2.647 -0.514) 3.892 2.338 ( 2.806 2.647 -0.514) 3.892 2.452 ( 4.214 -1.938 -0.561) 4.672 2.452 ( 4.214 1.938 -0.561) 4.672 2.908 ( -1.837 -1.217 0.844) 2.359 2.908 ( -1.837 1.217 0.844) 2.359 2.943 ( -2.008 -0.770 -0.676) 2.254 2.943 ( -2.008 0.770 -0.676) 2.254 3.090 ( -2.592 -3.082 1.101) 4.174 3.090 ( -2.592 3.082 1.101) 4.174 3.186 ( -0.074 -5.196 -2.345) 5.701 3.186 ( -0.074 5.196 -2.345) 5.701 3.295 ( -0.015 -1.599 1.169) 1.980 3.295 ( -0.015 1.599 1.169) 1.980 3.407 ( 3.945 -3.382 0.170) 5.199 3.407 ( 3.945 3.382 0.170) 5.199 3.700 ( -1.675 -4.908 -0.153) 5.188 3.700 ( -1.675 4.908 -0.153) 5.188 3.780 ( -2.909 -4.717 -0.360) 5.554 3.780 ( -2.909 4.717 -0.360) 5.554 4.038 ( -0.726 -1.577 0.549) 1.820 4.038 ( -0.726 1.577 0.549) 1.820 4.097 ( -1.892 -0.177 -0.438) 1.950 4.097 ( -1.892 0.177 -0.438) 1.950 4.722 ( 4.446 -3.198 1.507) 5.680 4.722 ( 4.446 3.198 1.507) 5.680 4.783 ( 3.700 -3.810 -1.249) 5.456 4.783 ( 3.700 3.810 -1.249) 5.456 4.910 ( -1.972 -1.065 -0.599) 2.320 4.910 ( -1.972 1.065 -0.599) 2.320 4.959 ( 0.073 -1.606 0.582) 1.710 4.959 ( 0.073 1.606 0.582) 1.710 5.906 ( 1.898 -1.333 0.070) 2.321 5.906 ( 1.898 1.333 0.070) 2.321 5.939 ( 2.070 -1.892 -0.061) 2.805 5.939 ( 2.070 1.892 -0.061) 2.805 6.465 ( -4.289 -1.370 -0.046) 4.502 6.465 ( -4.289 1.370 -0.046) 4.502 6.502 ( -4.489 -1.226 0.035) 4.653 6.502 ( -4.489 1.226 0.035) 4.653 6.974 ( -12.438 -2.816 0.249) 12.755 6.974 ( -12.438 2.816 0.249) 12.755 7.009 ( -12.449 -3.329 -0.239) 12.888 7.009 ( -12.449 3.329 -0.239) 12.888 7.515 ( 2.447 -2.870 -0.409) 3.794 7.515 ( 2.447 2.870 -0.409) 3.794 7.569 ( 3.142 -2.985 0.359) 4.349 7.569 ( 3.142 2.985 0.359) 4.349 7.921 ( 8.041 -2.856 -0.364) 8.541 7.921 ( 8.041 2.856 -0.364) 8.541 7.949 ( 7.663 -2.552 0.379) 8.086 7.949 ( 7.663 2.552 0.379) 8.086 11.541 ( -0.139 -0.350 0.007) 0.377 11.541 ( -0.139 0.350 0.007) 0.377 11.545 ( -0.174 -0.392 -0.016) 0.429 11.545 ( -0.174 0.392 -0.016) 0.429 14.995 ( -1.101 -0.608 0.073) 1.260 14.995 ( -1.101 0.608 0.073) 1.260 15.047 ( -0.893 -0.681 -0.066) 1.125 15.047 ( -0.893 0.681 -0.066) 1.125 15.465 ( -0.283 -0.699 -0.039) 0.755 15.465 ( -0.283 0.699 -0.039) 0.755 15.501 ( -0.265 -2.204 0.070) 2.221 15.501 ( -0.265 2.204 0.070) 2.221 16.117 ( 4.662 -0.955 -0.308) 4.769 16.117 ( 4.662 0.955 -0.308) 4.769 16.197 ( 4.182 -3.779 0.271) 5.643 16.197 ( 4.182 3.779 0.271) 5.643 ======================= Grid point 117 (60/65) ======================= q-point: ( 0.25 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.154 ( 1.371 -4.974 -0.512) 5.184 1.154 ( 1.371 4.974 -0.512) 5.184 1.226 ( 1.755 -3.370 0.561) 3.841 1.226 ( 1.755 3.370 0.561) 3.841 1.488 ( 0.043 -2.436 0.829) 2.573 1.488 ( 0.043 2.436 0.829) 2.573 1.535 ( -0.148 -1.885 -0.685) 2.011 1.535 ( -0.148 1.885 -0.685) 2.011 1.785 ( 4.716 -1.749 -0.846) 5.100 1.785 ( 4.716 1.749 -0.846) 5.100 1.828 ( 6.125 -1.304 0.948) 6.334 1.828 ( 6.125 1.304 0.948) 6.334 2.016 ( -1.801 -2.620 -0.157) 3.183 2.016 ( -1.801 2.620 -0.157) 3.183 2.172 ( -2.255 -1.729 0.180) 2.848 2.172 ( -2.255 1.729 0.180) 2.848 2.426 ( 5.068 -1.901 -0.413) 5.429 2.426 ( 5.068 1.901 -0.413) 5.429 2.523 ( 2.943 -1.492 0.074) 3.301 2.523 ( 2.943 1.492 0.074) 3.301 2.873 ( -1.974 -1.976 0.426) 2.825 2.873 ( -1.974 1.976 0.426) 2.825 2.896 ( -0.678 -2.184 -0.807) 2.425 2.896 ( -0.678 2.184 -0.807) 2.425 3.076 ( -0.137 -1.535 1.683) 2.281 3.076 ( -0.137 1.535 1.683) 2.282 3.145 ( -1.645 -2.807 -1.869) 3.752 3.145 ( -1.645 2.807 -1.869) 3.752 3.335 ( 2.351 -2.366 0.830) 3.437 3.335 ( 2.351 2.366 0.830) 3.437 3.477 ( 2.775 -0.792 0.471) 2.924 3.477 ( 2.775 0.792 0.471) 2.924 3.649 ( -3.485 -2.784 -1.372) 4.667 3.649 ( -3.485 2.784 -1.372) 4.667 3.713 ( -3.946 -3.341 0.752) 5.224 3.713 ( -3.946 3.341 0.752) 5.224 4.009 ( -1.858 -2.519 -1.744) 3.583 4.009 ( -1.858 2.519 -1.744) 3.583 4.052 ( -1.269 -2.324 1.561) 3.074 4.052 ( -1.269 2.324 1.561) 3.074 4.801 ( 0.242 -5.569 -0.922) 5.650 4.801 ( 0.242 5.569 -0.922) 5.650 4.836 ( 1.258 -7.693 0.861) 7.843 4.836 ( 1.258 7.693 0.861) 7.843 4.895 ( 2.601 -4.148 0.399) 4.913 4.895 ( 2.601 4.148 0.399) 4.913 4.973 ( 1.221 -1.971 -0.257) 2.333 4.973 ( 1.221 1.971 -0.257) 2.333 5.937 ( 0.370 -0.768 0.493) 0.985 5.937 ( 0.370 0.768 0.493) 0.985 5.963 ( -0.341 -1.352 -0.431) 1.459 5.963 ( -0.341 1.352 -0.431) 1.459 6.367 ( -4.447 -2.310 -0.046) 5.011 6.367 ( -4.447 2.310 -0.046) 5.011 6.386 ( -5.472 -1.707 0.028) 5.732 6.386 ( -5.472 1.707 0.028) 5.733 6.792 ( -6.472 -3.726 -0.129) 7.469 6.792 ( -6.472 3.726 -0.129) 7.469 6.828 ( -5.696 -3.534 0.084) 6.704 6.828 ( -5.696 3.534 0.084) 6.704 7.529 ( -0.281 -0.627 0.536) 0.872 7.529 ( -0.281 0.627 0.536) 0.872 7.587 ( -0.672 -4.127 -0.543) 4.217 7.587 ( -0.672 4.127 -0.543) 4.217 8.063 ( 5.865 -2.204 -0.417) 6.280 8.063 ( 5.865 2.204 -0.417) 6.280 8.091 ( 5.461 -2.252 0.453) 5.924 8.091 ( 5.461 2.252 0.453) 5.924 11.537 ( -0.349 -0.921 0.028) 0.986 11.537 ( -0.349 0.921 0.028) 0.986 11.540 ( -0.336 -0.969 -0.038) 1.026 11.540 ( -0.336 0.969 -0.038) 1.026 14.971 ( -1.273 -1.504 -0.007) 1.971 14.971 ( -1.273 1.504 -0.007) 1.971 15.025 ( -1.221 -1.697 -0.021) 2.091 15.025 ( -1.221 1.697 -0.021) 2.091 15.467 ( 0.526 -0.217 0.029) 0.569 15.467 ( 0.526 0.217 0.029) 0.569 15.499 ( 0.090 -1.803 0.019) 1.805 15.499 ( 0.090 1.803 0.019) 1.805 16.220 ( 5.692 -2.657 -0.429) 6.296 16.220 ( 5.692 2.657 -0.429) 6.296 16.297 ( 5.265 -6.703 0.416) 8.533 16.297 ( 5.265 6.703 0.416) 8.533 ======================= Grid point 119 (61/65) ======================= q-point: ( 0.38 -0.50 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( 2.885 -0.672 -0.031) 2.962 1.202 ( 2.885 0.672 -0.031) 2.962 1.257 ( 1.256 -0.301 0.100) 1.295 1.257 ( 1.256 0.301 0.100) 1.295 1.494 ( 0.874 -0.815 -0.346) 1.244 1.494 ( 0.874 0.815 -0.346) 1.244 1.550 ( 1.786 -2.833 0.123) 3.351 1.550 ( 1.786 2.833 0.123) 3.351 1.843 ( 1.785 -1.709 -0.341) 2.494 1.843 ( 1.785 1.708 -0.341) 2.494 1.894 ( 0.423 -3.585 0.201) 3.615 1.894 ( 0.423 3.585 0.201) 3.615 1.990 ( -1.850 -2.838 1.905) 3.887 1.990 ( -1.850 2.838 1.905) 3.887 2.121 ( -2.035 -1.355 -2.050) 3.190 2.121 ( -2.035 1.355 -2.050) 3.190 2.491 ( 1.611 -0.994 0.079) 1.894 2.491 ( 1.611 0.994 0.079) 1.894 2.564 ( 1.312 -1.170 0.120) 1.762 2.564 ( 1.312 1.170 0.120) 1.762 2.859 ( 0.609 -2.044 0.135) 2.137 2.859 ( 0.609 2.044 0.135) 2.137 2.913 ( 1.538 -2.741 -0.580) 3.196 2.913 ( 1.538 2.741 -0.580) 3.196 3.086 ( -0.062 -2.202 0.952) 2.400 3.086 ( -0.062 2.202 0.952) 2.400 3.117 ( -0.480 -1.188 -0.532) 1.387 3.117 ( -0.480 1.188 -0.532) 1.387 3.374 ( 1.262 -1.362 0.390) 1.898 3.374 ( 1.262 1.362 0.390) 1.898 3.506 ( 0.265 -3.254 -1.281) 3.507 3.506 ( 0.265 3.254 -1.281) 3.507 3.570 ( -3.204 -1.086 0.664) 3.448 3.570 ( -3.204 1.086 0.664) 3.448 3.635 ( -4.351 -0.661 0.373) 4.417 3.635 ( -4.351 0.661 0.373) 4.417 3.998 ( 2.068 -2.703 -0.364) 3.423 3.998 ( 2.068 2.703 -0.364) 3.423 4.070 ( 1.675 -0.652 0.485) 1.861 4.070 ( 1.675 0.652 0.485) 1.861 4.777 ( -1.247 -3.139 0.320) 3.393 4.777 ( -1.247 3.139 0.320) 3.393 4.821 ( -1.332 -4.424 -0.262) 4.628 4.821 ( -1.332 4.424 -0.262) 4.628 4.956 ( 1.080 -1.156 -0.579) 1.684 4.956 ( 1.080 1.156 -0.579) 1.684 4.991 ( 0.817 -2.024 0.391) 2.217 4.991 ( 0.817 2.024 0.391) 2.217 5.910 ( -2.859 -0.384 0.186) 2.890 5.910 ( -2.859 0.384 0.186) 2.890 5.927 ( -1.988 -0.838 -0.164) 2.163 5.927 ( -1.988 0.838 -0.164) 2.163 6.326 ( 0.130 -5.382 -0.212) 5.388 6.326 ( 0.130 5.382 -0.212) 5.388 6.341 ( 0.040 -5.005 0.184) 5.008 6.341 ( 0.040 5.005 0.184) 5.008 6.709 ( -2.279 -5.262 -0.129) 5.736 6.709 ( -2.279 5.262 -0.129) 5.736 6.759 ( -2.282 -4.092 0.122) 4.687 6.759 ( -2.282 4.092 0.122) 4.687 7.525 ( -0.342 -1.869 0.661) 2.012 7.525 ( -0.342 1.869 0.661) 2.012 7.558 ( -1.342 -4.046 -0.661) 4.314 7.558 ( -1.342 4.046 -0.661) 4.314 8.136 ( 2.139 -1.241 -0.148) 2.478 8.136 ( 2.139 1.241 -0.148) 2.478 8.155 ( 1.374 -1.308 0.170) 1.905 8.155 ( 1.374 1.308 0.170) 1.905 11.530 ( -0.327 -0.798 0.039) 0.863 11.530 ( -0.327 0.798 0.039) 0.863 11.533 ( -0.299 -0.778 -0.040) 0.835 11.533 ( -0.299 0.778 -0.040) 0.835 14.950 ( -0.785 -1.886 0.045) 2.043 14.950 ( -0.785 1.886 0.045) 2.043 15.003 ( -0.901 -2.160 -0.055) 2.341 15.003 ( -0.901 2.160 -0.055) 2.341 15.483 ( 0.954 -0.295 0.108) 1.004 15.483 ( 0.954 0.295 0.108) 1.004 15.504 ( 0.318 -1.222 -0.059) 1.264 15.504 ( 0.318 1.222 -0.059) 1.264 16.314 ( 3.769 -3.433 0.037) 5.098 16.314 ( 3.769 3.433 0.037) 5.098 16.384 ( 3.173 -7.162 -0.064) 7.833 16.384 ( 3.173 7.162 -0.064) 7.833 ======================= Grid point 121 (62/65) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( -0.240 -1.140 -0.427) 1.240 1.227 ( -0.240 1.140 -0.427) 1.240 1.278 ( 0.161 -0.287 0.374) 0.498 1.278 ( 0.161 0.287 0.374) 0.498 1.521 ( 0.700 -1.147 0.674) 1.503 1.521 ( 0.700 1.147 0.674) 1.503 1.561 ( -0.709 -0.147 -0.906) 1.160 1.561 ( -0.709 0.147 -0.906) 1.160 1.855 ( 0.069 -1.281 -0.034) 1.283 1.855 ( 0.069 1.281 -0.034) 1.283 1.898 ( 0.227 -1.441 -0.263) 1.482 1.898 ( 0.227 1.441 -0.263) 1.482 1.972 ( -0.365 -1.926 2.573) 3.235 1.972 ( -0.365 1.926 2.573) 3.235 2.086 ( -0.002 -0.843 -2.349) 2.495 2.086 ( -0.002 0.843 -2.349) 2.495 2.510 ( 0.269 -0.736 0.373) 0.868 2.510 ( 0.269 0.736 0.373) 0.868 2.572 ( -0.167 -0.564 -0.268) 0.646 2.572 ( -0.167 0.564 -0.268) 0.646 2.879 ( 0.477 -0.526 0.205) 0.739 2.879 ( 0.477 0.526 0.205) 0.739 2.914 ( -0.681 -1.430 -0.641) 1.709 2.914 ( -0.681 1.430 -0.641) 1.709 3.080 ( -1.009 -2.254 1.489) 2.884 3.080 ( -1.009 2.254 1.489) 2.884 3.124 ( 1.739 -2.691 -1.859) 3.704 3.124 ( 1.739 2.691 -1.859) 3.704 3.399 ( 0.346 -2.813 1.561) 3.236 3.399 ( 0.346 2.813 1.561) 3.236 3.484 ( -1.500 -0.687 0.243) 1.668 3.484 ( -1.500 0.687 0.243) 1.668 3.532 ( -0.539 -1.522 -0.715) 1.766 3.532 ( -0.539 1.522 -0.715) 1.766 3.598 ( 1.111 -1.378 -0.356) 1.805 3.598 ( 1.111 1.378 -0.356) 1.805 4.039 ( 0.471 -1.292 0.503) 1.464 4.039 ( 0.471 1.292 0.503) 1.464 4.089 ( -0.377 -1.145 -0.131) 1.213 4.089 ( -0.377 1.145 -0.131) 1.213 4.771 ( 0.268 -1.364 1.100) 1.773 4.771 ( 0.268 1.364 1.100) 1.773 4.801 ( -0.326 -1.127 -1.292) 1.746 4.801 ( -0.326 1.127 -1.292) 1.746 4.954 ( 0.269 -1.892 -0.258) 1.929 4.954 ( 0.269 1.892 -0.258) 1.929 5.000 ( -0.207 -1.398 0.288) 1.442 5.000 ( -0.207 1.398 0.288) 1.442 5.883 ( 0.366 -0.556 0.604) 0.899 5.883 ( 0.366 0.556 0.604) 0.899 5.898 ( -0.408 -0.325 -0.634) 0.821 5.898 ( -0.408 0.325 -0.634) 0.821 6.337 ( 0.238 -3.677 0.040) 3.685 6.337 ( 0.238 3.677 0.040) 3.685 6.345 ( -0.236 -3.712 -0.074) 3.721 6.345 ( -0.236 3.712 -0.074) 3.721 6.693 ( 0.287 -3.285 0.300) 3.311 6.693 ( 0.287 3.285 0.300) 3.311 6.732 ( -0.263 -2.415 -0.262) 2.444 6.732 ( -0.263 2.415 -0.262) 2.444 7.519 ( -0.308 -1.005 0.001) 1.051 7.519 ( -0.308 1.005 0.001) 1.051 7.546 ( 0.310 -2.126 -0.003) 2.149 7.546 ( 0.310 2.126 -0.003) 2.149 8.156 ( 0.047 -0.498 0.094) 0.509 8.156 ( 0.047 0.498 0.094) 0.509 8.164 ( -0.051 -0.143 -0.079) 0.171 8.164 ( -0.051 0.143 -0.079) 0.171 11.527 ( -0.016 -0.694 0.058) 0.697 11.527 ( -0.016 0.694 0.058) 0.697 11.529 ( 0.019 -0.672 -0.057) 0.674 11.529 ( 0.019 0.672 -0.057) 0.674 14.943 ( 0.013 -1.138 0.076) 1.141 14.943 ( 0.013 1.138 0.076) 1.141 14.993 ( -0.008 -1.319 -0.077) 1.322 14.993 ( -0.008 1.319 -0.077) 1.322 15.497 ( 0.242 -0.650 0.110) 0.703 15.497 ( 0.242 0.650 0.110) 0.703 15.505 ( -0.253 -0.553 -0.066) 0.612 15.505 ( -0.253 0.553 -0.066) 0.612 16.355 ( 0.191 -2.099 0.206) 2.118 16.355 ( 0.191 2.099 0.206) 2.118 16.412 ( -0.185 -4.309 -0.241) 4.320 16.412 ( -0.185 4.309 -0.241) 4.320 ======================= Grid point 123 (63/65) ======================= q-point: (-0.38 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.202 ( -2.033 -0.196 -0.054) 2.043 1.202 ( -2.033 0.197 -0.054) 2.043 1.256 ( -2.129 -0.884 0.192) 2.313 1.256 ( -2.129 0.884 0.192) 2.313 1.493 ( -1.941 -1.514 -0.247) 2.474 1.493 ( -1.941 1.514 -0.247) 2.474 1.549 ( -0.673 -1.205 0.197) 1.394 1.549 ( -0.673 1.205 0.197) 1.394 1.851 ( -1.405 -1.478 -0.763) 2.177 1.851 ( -1.405 1.478 -0.763) 2.177 1.884 ( -1.242 -3.518 0.671) 3.791 1.884 ( -1.242 3.518 0.671) 3.791 2.022 ( 2.902 -3.891 1.161) 4.991 2.022 ( 2.902 3.891 1.161) 4.991 2.086 ( 1.142 -1.517 -1.021) 2.156 2.086 ( 1.142 1.517 -1.021) 2.156 2.498 ( -1.655 -0.236 -0.349) 1.708 2.498 ( -1.655 0.236 -0.349) 1.708 2.563 ( -0.994 -1.427 0.189) 1.749 2.563 ( -0.994 1.427 0.189) 1.749 2.862 ( -1.125 -0.842 0.001) 1.405 2.862 ( -1.125 0.842 0.001) 1.405 2.901 ( -1.064 -1.372 0.085) 1.738 2.901 ( -1.064 1.372 0.085) 1.738 3.072 ( -0.570 -2.010 1.019) 2.325 3.072 ( -0.570 2.010 1.019) 2.325 3.151 ( 2.055 -2.649 -1.956) 3.882 3.151 ( 2.055 2.649 -1.956) 3.882 3.395 ( -1.248 -3.907 -0.966) 4.214 3.395 ( -1.248 3.907 -0.966) 4.214 3.440 ( -2.106 -1.583 2.664) 3.747 3.440 ( -2.106 1.583 2.664) 3.747 3.594 ( 5.117 -2.439 -0.450) 5.687 3.594 ( 5.117 2.439 -0.450) 5.687 3.644 ( 3.603 -1.348 -0.264) 3.856 3.644 ( 3.603 1.348 -0.264) 3.856 4.005 ( -2.637 -1.382 -0.844) 3.095 4.005 ( -2.637 1.382 -0.844) 3.095 4.067 ( -1.443 -2.373 0.771) 2.882 4.067 ( -1.443 2.373 0.771) 2.882 4.792 ( 0.892 -3.028 -0.805) 3.258 4.792 ( 0.892 3.028 -0.805) 3.258 4.807 ( 1.909 -3.179 0.863) 3.807 4.807 ( 1.909 3.179 0.863) 3.807 4.955 ( -0.899 -2.407 -0.466) 2.611 4.955 ( -0.899 2.407 -0.466) 2.611 4.991 ( -1.179 -3.379 0.358) 3.596 4.991 ( -1.179 3.379 0.358) 3.596 5.913 ( 2.146 -1.050 0.021) 2.389 5.913 ( 2.146 1.050 0.021) 2.389 5.922 ( 2.741 -0.988 0.045) 2.914 5.922 ( 2.741 0.988 0.045) 2.914 6.326 ( -0.294 -5.431 -0.215) 5.443 6.326 ( -0.294 5.431 -0.215) 5.443 6.341 ( 0.127 -5.331 0.203) 5.336 6.341 ( 0.127 5.331 0.203) 5.336 6.711 ( 1.865 -3.353 -0.295) 3.848 6.711 ( 1.865 3.353 -0.295) 3.848 6.757 ( 2.658 -3.590 0.264) 4.474 6.757 ( 2.658 3.590 0.264) 4.474 7.527 ( 0.866 -1.915 0.635) 2.196 7.527 ( 0.866 1.915 0.635) 2.196 7.557 ( 0.834 -2.290 -0.643) 2.520 7.557 ( 0.834 2.290 -0.643) 2.520 8.136 ( -2.113 -1.163 -0.187) 2.419 8.136 ( -2.113 1.163 -0.187) 2.419 8.155 ( -1.405 -1.131 0.205) 1.815 8.155 ( -1.405 1.131 0.205) 1.815 11.530 ( 0.293 -0.575 0.039) 0.646 11.530 ( 0.293 0.575 0.039) 0.646 11.533 ( 0.337 -0.716 -0.046) 0.793 11.533 ( 0.337 0.716 -0.046) 0.793 14.951 ( 0.739 -0.646 0.005) 0.982 14.951 ( 0.739 0.646 0.005) 0.982 15.003 ( 0.941 -0.436 -0.018) 1.037 15.003 ( 0.941 0.436 -0.018) 1.037 15.488 ( -0.890 -0.602 -0.229) 1.098 15.488 ( -0.890 0.602 -0.229) 1.098 15.499 ( -0.403 -1.485 0.269) 1.562 15.499 ( -0.403 1.485 0.269) 1.562 16.320 ( -3.730 -2.014 -0.328) 4.252 16.320 ( -3.730 2.014 -0.328) 4.252 16.378 ( -3.186 -2.417 0.303) 4.010 16.378 ( -3.186 2.417 0.303) 4.010 ======================= Grid point 125 (64/65) ======================= q-point: (-0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 61 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -1.987 -5.559 -0.552) 5.929 1.155 ( -1.987 5.559 -0.552) 5.929 1.224 ( -1.274 -2.504 0.713) 2.899 1.224 ( -1.274 2.504 0.713) 2.899 1.490 ( 1.000 -2.650 0.775) 2.937 1.490 ( 1.000 2.650 0.775) 2.937 1.533 ( -0.694 -1.742 -0.631) 1.979 1.533 ( -0.694 1.742 -0.631) 1.979 1.781 ( -5.100 -2.187 -0.536) 5.575 1.781 ( -5.100 2.187 -0.536) 5.575 1.830 ( -5.448 -2.484 0.807) 6.042 1.830 ( -5.448 2.484 0.807) 6.042 2.041 ( 0.393 -2.010 -2.099) 2.933 2.041 ( 0.393 2.010 -2.099) 2.933 2.144 ( 3.551 -1.921 2.312) 4.652 2.144 ( 3.551 1.921 2.312) 4.652 2.427 ( -5.295 -0.636 -0.444) 5.352 2.427 ( -5.295 0.636 -0.444) 5.352 2.527 ( -2.894 -1.564 -0.173) 3.295 2.527 ( -2.894 1.564 -0.173) 3.295 2.861 ( 0.630 -1.369 0.835) 1.723 2.861 ( 0.630 1.369 0.835) 1.723 2.898 ( 1.921 -0.213 -0.568) 2.014 2.898 ( 1.921 0.213 -0.568) 2.014 3.075 ( 0.414 -2.991 1.156) 3.233 3.075 ( 0.414 2.991 1.156) 3.233 3.169 ( 1.264 -2.943 -2.754) 4.224 3.169 ( 1.264 2.943 -2.754) 4.224 3.343 ( -2.744 -2.562 0.229) 3.761 3.343 ( -2.744 2.562 0.229) 3.761 3.448 ( -0.816 -1.888 2.282) 3.072 3.448 ( -0.816 1.888 2.282) 3.072 3.654 ( 2.473 -1.735 -1.484) 3.366 3.654 ( 2.473 1.735 -1.484) 3.366 3.726 ( 3.976 -2.804 -0.141) 4.868 3.726 ( 3.976 2.804 -0.141) 4.868 3.984 ( 0.985 -1.877 0.283) 2.138 3.984 ( 0.985 1.877 0.283) 2.138 4.068 ( 1.483 -1.814 0.099) 2.345 4.068 ( 1.483 1.814 0.099) 2.345 4.795 ( -0.977 -6.012 -0.360) 6.102 4.795 ( -0.977 6.012 -0.360) 6.102 4.844 ( -0.778 -7.042 0.223) 7.088 4.844 ( -0.778 7.042 0.223) 7.088 4.905 ( -2.243 -2.622 -0.267) 3.461 4.905 ( -2.243 2.622 -0.267) 3.461 4.962 ( -1.108 -5.976 0.442) 6.094 4.962 ( -1.108 5.976 0.442) 6.094 5.944 ( -0.265 -1.911 0.333) 1.957 5.944 ( -0.265 1.911 0.333) 1.957 5.956 ( 0.244 -1.918 -0.327) 1.961 5.956 ( 0.244 1.918 -0.327) 1.961 6.366 ( 4.847 -3.662 0.016) 6.075 6.366 ( 4.847 3.662 0.016) 6.075 6.386 ( 5.062 -3.298 -0.017) 6.042 6.386 ( 5.062 3.298 -0.017) 6.042 6.786 ( 6.531 -4.404 0.226) 7.880 6.786 ( 6.531 4.404 0.226) 7.880 6.834 ( 5.613 -4.679 -0.216) 7.311 6.834 ( 5.613 4.679 -0.216) 7.311 7.547 ( 0.543 -1.687 -0.563) 1.859 7.547 ( 0.543 1.687 -0.563) 1.859 7.569 ( 0.442 -3.579 0.528) 3.644 7.569 ( 0.442 3.579 0.528) 3.644 8.060 ( -5.834 -2.128 -0.231) 6.215 8.060 ( -5.834 2.128 -0.231) 6.215 8.093 ( -5.483 -2.083 0.242) 5.870 8.093 ( -5.483 2.083 0.242) 5.870 11.537 ( 0.353 -0.512 0.027) 0.622 11.537 ( 0.353 0.512 0.027) 0.622 11.540 ( 0.330 -0.679 -0.038) 0.756 11.540 ( 0.330 0.679 -0.038) 0.756 14.970 ( 1.185 -1.217 0.035) 1.699 14.970 ( 1.185 1.217 0.035) 1.699 15.025 ( 1.283 -1.174 -0.032) 1.740 15.025 ( 1.283 1.174 -0.032) 1.740 15.472 ( -0.485 -0.399 -0.296) 0.694 15.472 ( -0.485 0.399 -0.296) 0.694 15.495 ( -0.152 -2.466 0.328) 2.493 15.495 ( -0.152 2.466 0.328) 2.493 16.220 ( -5.877 -3.460 -0.395) 6.831 16.220 ( -5.877 3.460 -0.395) 6.831 16.298 ( -5.031 -5.295 0.357) 7.313 16.298 ( -5.031 5.295 0.357) 7.313 ======================= Grid point 127 (65/65) ======================= q-point: (-0.12 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.64e-04 1.64e-04 1.64e-04 1.64e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 1.161 -8.036 0.590) 8.140 1.144 ( 1.161 8.036 0.590) 8.140 1.220 ( 1.080 -3.724 -0.378) 3.896 1.220 ( 1.080 3.724 -0.378) 3.896 1.463 ( -5.450 -6.886 -0.850) 8.823 1.463 ( -5.450 6.886 -0.850) 8.823 1.480 ( -6.468 -3.115 0.946) 7.241 1.480 ( -6.468 3.115 0.946) 7.241 1.698 ( -1.488 -2.018 -0.337) 2.530 1.698 ( -1.488 2.018 -0.337) 2.530 1.739 ( -1.626 -3.399 0.074) 3.769 1.739 ( -1.626 3.399 0.074) 3.769 2.056 ( 2.285 -1.650 -0.251) 2.829 2.056 ( 2.285 1.650 -0.251) 2.829 2.217 ( 1.616 -3.008 0.882) 3.526 2.217 ( 1.616 3.008 0.882) 3.526 2.330 ( -2.779 -2.956 -0.139) 4.059 2.330 ( -2.779 2.956 -0.139) 4.059 2.451 ( -4.341 -2.644 -0.518) 5.109 2.451 ( -4.341 2.644 -0.518) 5.109 2.895 ( 1.785 -0.756 1.263) 2.314 2.895 ( 1.785 0.756 1.262) 2.314 2.943 ( 1.977 -1.040 -0.353) 2.262 2.943 ( 1.977 1.040 -0.353) 2.262 3.108 ( 2.225 -4.332 0.308) 4.880 3.108 ( 2.225 4.332 0.308) 4.880 3.175 ( 0.873 -3.215 -1.830) 3.801 3.175 ( 0.873 3.215 -1.830) 3.801 3.305 ( -1.107 -2.267 0.516) 2.575 3.305 ( -1.107 2.267 0.516) 2.575 3.408 ( -3.355 -2.339 0.031) 4.090 3.408 ( -3.355 2.339 0.031) 4.090 3.696 ( 1.996 -4.525 0.008) 4.946 3.696 ( 1.996 4.525 0.008) 4.946 3.788 ( 2.812 -4.312 -0.698) 5.195 3.788 ( 2.812 4.312 -0.698) 5.195 4.018 ( 1.107 -1.357 1.535) 2.329 4.018 ( 1.107 1.357 1.535) 2.329 4.102 ( 1.309 -1.986 -0.526) 2.436 4.102 ( 1.309 1.986 -0.526) 2.436 4.734 ( -4.629 -1.818 1.541) 5.206 4.734 ( -4.629 1.818 1.541) 5.206 4.769 ( -3.549 -2.285 -1.139) 4.372 4.769 ( -3.549 2.285 -1.139) 4.372 4.906 ( 1.015 -0.830 -0.289) 1.343 4.906 ( 1.015 0.830 -0.289) 1.343 4.971 ( 0.969 -2.158 -0.224) 2.376 4.971 ( 0.969 2.158 -0.224) 2.376 5.913 ( -2.100 -2.107 -0.387) 3.000 5.913 ( -2.100 2.107 -0.387) 3.000 5.933 ( -1.918 -1.890 0.379) 2.719 5.933 ( -1.918 1.890 0.379) 2.719 6.468 ( 4.241 -1.173 -0.245) 4.407 6.468 ( 4.241 1.173 -0.245) 4.407 6.498 ( 4.538 -0.727 0.285) 4.605 6.498 ( 4.538 0.727 0.285) 4.605 6.981 ( 12.730 -2.281 -0.173) 12.934 6.981 ( 12.730 2.281 -0.173) 12.934 7.001 ( 12.164 -2.361 0.223) 12.393 7.001 ( 12.164 2.361 0.223) 12.393 7.522 ( -3.092 -3.675 -1.042) 4.915 7.522 ( -3.092 3.675 -1.042) 4.915 7.563 ( -2.457 -1.957 0.949) 3.281 7.563 ( -2.457 1.957 0.949) 3.281 7.917 ( -7.817 -2.493 -0.074) 8.205 7.917 ( -7.817 2.493 -0.074) 8.205 7.953 ( -7.912 -2.675 0.055) 8.352 7.953 ( -7.912 2.675 0.055) 8.352 11.542 ( 0.126 -0.808 -0.005) 0.818 11.542 ( 0.126 0.808 -0.005) 0.818 11.545 ( 0.189 -0.909 0.003) 0.929 11.545 ( 0.189 0.909 0.003) 0.929 14.994 ( 1.055 -0.938 0.150) 1.419 14.994 ( 1.055 0.938 0.150) 1.419 15.047 ( 0.933 -0.899 -0.094) 1.300 15.047 ( 0.933 0.899 -0.094) 1.300 15.468 ( 0.254 -0.193 -0.248) 0.405 15.468 ( 0.254 0.193 -0.248) 0.405 15.499 ( 0.265 -2.738 0.269) 2.764 15.499 ( 0.265 2.738 0.269) 2.764 16.111 ( -4.563 -2.351 0.046) 5.133 16.111 ( -4.563 2.351 0.046) 5.133 16.204 ( -4.248 -4.175 -0.132) 5.957 16.204 ( -4.248 4.175 -0.132) 5.957 =================== 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 3/16128 10.0 82.844 96.507 40.819 0.000 0.677 0.000 3/16128 20.0 17.281 16.989 6.377 0.000 -0.092 0.000 3/16128 30.0 6.978 6.673 2.372 0.000 -0.079 0.000 3/16128 40.0 4.026 3.848 1.318 0.000 -0.056 0.000 3/16128 50.0 2.785 2.674 0.893 0.000 -0.042 0.000 3/16128 60.0 2.133 2.056 0.674 0.000 -0.033 0.000 3/16128 70.0 1.738 1.678 0.543 0.000 -0.028 0.000 3/16128 80.0 1.474 1.424 0.456 0.000 -0.023 0.000 3/16128 90.0 1.286 1.240 0.394 0.000 -0.020 0.000 3/16128 100.0 1.144 1.102 0.348 0.000 -0.018 0.000 3/16128 110.0 1.034 0.993 0.312 0.000 -0.016 0.000 3/16128 120.0 0.944 0.905 0.283 0.000 -0.014 0.000 3/16128 130.0 0.870 0.833 0.260 0.000 -0.013 0.000 3/16128 140.0 0.808 0.772 0.240 0.000 -0.012 0.000 3/16128 150.0 0.755 0.720 0.224 0.000 -0.011 0.000 3/16128 160.0 0.709 0.676 0.209 0.000 -0.010 0.000 3/16128 170.0 0.669 0.637 0.197 0.000 -0.009 0.000 3/16128 180.0 0.633 0.602 0.186 0.000 -0.009 0.000 3/16128 190.0 0.601 0.572 0.177 0.000 -0.008 0.000 3/16128 200.0 0.573 0.544 0.168 0.000 -0.007 0.000 3/16128 210.0 0.547 0.520 0.160 0.000 -0.007 0.000 3/16128 220.0 0.523 0.497 0.153 0.000 -0.007 0.000 3/16128 230.0 0.502 0.477 0.147 0.000 -0.006 0.000 3/16128 240.0 0.482 0.458 0.141 0.000 -0.006 0.000 3/16128 250.0 0.464 0.441 0.136 0.000 -0.006 0.000 3/16128 260.0 0.447 0.425 0.131 0.000 -0.005 0.000 3/16128 270.0 0.432 0.411 0.126 0.000 -0.005 0.000 3/16128 280.0 0.417 0.397 0.122 0.000 -0.005 0.000 3/16128 290.0 0.404 0.384 0.118 0.000 -0.005 0.000 3/16128 300.0 0.391 0.373 0.114 0.000 -0.004 0.000 3/16128 310.0 0.379 0.361 0.111 0.000 -0.004 0.000 3/16128 320.0 0.368 0.351 0.108 0.000 -0.004 0.000 3/16128 330.0 0.358 0.341 0.105 0.000 -0.004 0.000 3/16128 340.0 0.348 0.332 0.102 0.000 -0.004 0.000 3/16128 350.0 0.338 0.323 0.099 0.000 -0.004 0.000 3/16128 360.0 0.329 0.315 0.096 0.000 -0.004 0.000 3/16128 370.0 0.321 0.307 0.094 0.000 -0.003 0.000 3/16128 380.0 0.313 0.299 0.092 0.000 -0.003 0.000 3/16128 390.0 0.305 0.292 0.090 0.000 -0.003 0.000 3/16128 400.0 0.298 0.285 0.087 0.000 -0.003 0.000 3/16128 410.0 0.291 0.279 0.085 0.000 -0.003 0.000 3/16128 420.0 0.285 0.273 0.083 0.000 -0.003 0.000 3/16128 430.0 0.278 0.267 0.082 0.000 -0.003 0.000 3/16128 440.0 0.272 0.261 0.080 0.000 -0.003 0.000 3/16128 450.0 0.267 0.256 0.078 0.000 -0.003 0.000 3/16128 460.0 0.261 0.251 0.077 0.000 -0.003 0.000 3/16128 470.0 0.256 0.246 0.075 0.000 -0.003 0.000 3/16128 480.0 0.251 0.241 0.074 0.000 -0.003 0.000 3/16128 490.0 0.246 0.236 0.072 0.000 -0.003 0.000 3/16128 500.0 0.241 0.232 0.071 0.000 -0.003 0.000 3/16128 510.0 0.237 0.228 0.070 0.000 -0.002 0.000 3/16128 520.0 0.232 0.224 0.068 0.000 -0.002 0.000 3/16128 530.0 0.228 0.220 0.067 0.000 -0.002 0.000 3/16128 540.0 0.224 0.216 0.066 0.000 -0.002 0.000 3/16128 550.0 0.220 0.212 0.065 0.000 -0.002 0.000 3/16128 560.0 0.216 0.209 0.064 0.000 -0.002 0.000 3/16128 570.0 0.213 0.205 0.063 0.000 -0.002 0.000 3/16128 580.0 0.209 0.202 0.062 0.000 -0.002 0.000 3/16128 590.0 0.206 0.199 0.061 0.000 -0.002 0.000 3/16128 600.0 0.203 0.196 0.060 0.000 -0.002 0.000 3/16128 610.0 0.199 0.193 0.059 0.000 -0.002 0.000 3/16128 620.0 0.196 0.190 0.058 0.000 -0.002 0.000 3/16128 630.0 0.193 0.187 0.057 0.000 -0.002 0.000 3/16128 640.0 0.190 0.184 0.056 0.000 -0.002 0.000 3/16128 650.0 0.188 0.181 0.055 0.000 -0.002 0.000 3/16128 660.0 0.185 0.179 0.054 0.000 -0.002 0.000 3/16128 670.0 0.182 0.176 0.054 0.000 -0.002 0.000 3/16128 680.0 0.180 0.174 0.053 0.000 -0.002 0.000 3/16128 690.0 0.177 0.171 0.052 0.000 -0.002 0.000 3/16128 700.0 0.175 0.169 0.051 0.000 -0.002 0.000 3/16128 710.0 0.172 0.167 0.051 0.000 -0.002 0.000 3/16128 720.0 0.170 0.165 0.050 0.000 -0.002 0.000 3/16128 730.0 0.168 0.163 0.049 0.000 -0.002 0.000 3/16128 740.0 0.165 0.161 0.049 0.000 -0.002 0.000 3/16128 750.0 0.163 0.158 0.048 0.000 -0.002 0.000 3/16128 760.0 0.161 0.157 0.047 0.000 -0.002 0.000 3/16128 770.0 0.159 0.155 0.047 0.000 -0.002 0.000 3/16128 780.0 0.157 0.153 0.046 0.000 -0.002 0.000 3/16128 790.0 0.155 0.151 0.046 0.000 -0.002 0.000 3/16128 800.0 0.153 0.149 0.045 0.000 -0.002 0.000 3/16128 810.0 0.152 0.147 0.045 0.000 -0.002 0.000 3/16128 820.0 0.150 0.146 0.044 0.000 -0.002 0.000 3/16128 830.0 0.148 0.144 0.044 0.000 -0.002 0.000 3/16128 840.0 0.146 0.142 0.043 0.000 -0.001 0.000 3/16128 850.0 0.145 0.141 0.043 0.000 -0.001 0.000 3/16128 860.0 0.143 0.139 0.042 0.000 -0.001 0.000 3/16128 870.0 0.141 0.138 0.042 0.000 -0.001 0.000 3/16128 880.0 0.140 0.136 0.041 0.000 -0.001 0.000 3/16128 890.0 0.138 0.135 0.041 0.000 -0.001 0.000 3/16128 900.0 0.137 0.133 0.040 0.000 -0.001 0.000 3/16128 910.0 0.135 0.132 0.040 0.000 -0.001 0.000 3/16128 920.0 0.134 0.131 0.039 0.000 -0.001 0.000 3/16128 930.0 0.133 0.129 0.039 0.000 -0.001 0.000 3/16128 940.0 0.131 0.128 0.039 0.000 -0.001 0.000 3/16128 950.0 0.130 0.127 0.038 0.000 -0.001 0.000 3/16128 960.0 0.129 0.125 0.038 0.000 -0.001 0.000 3/16128 970.0 0.127 0.124 0.038 0.000 -0.001 0.000 3/16128 980.0 0.126 0.123 0.037 0.000 -0.001 0.000 3/16128 990.0 0.125 0.122 0.037 0.000 -0.001 0.000 3/16128 1000.0 0.123 0.121 0.036 0.000 -0.001 0.000 3/16128 Thermal conductivity related properties were written into "kappa-m883.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-09 04:26:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|