----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 07:54:03]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 4 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.815164250005022 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200235570000000 0.000000000000000 c -2.574812380429313 0.000000000000000 10.036277170738600 Atomic positions (fractional): *1 O 0.71888180815655 0.22672051890742 0.07885500509656 15.999 2 O 0.28111819184345 0.72672051890742 0.42114499490344 15.999 3 O 0.28111819184345 0.77327948109258 0.92114499490344 15.999 4 O 0.71888180815655 0.27327948109258 0.57885500509656 15.999 *5 O 0.15321802547729 0.26592635286381 0.45436816313809 15.999 6 O 0.84678197452271 0.76592635286381 0.04563183686191 15.999 7 O 0.84678197452271 0.73407364713619 0.54563183686191 15.999 8 O 0.15321802547729 0.23407364713619 0.95436816313809 15.999 *9 O 0.58677530471533 0.27202774627679 0.31401712347497 15.999 10 O 0.41322469528467 0.77202774627679 0.18598287652503 15.999 11 O 0.41322469528467 0.72797225372321 0.68598287652503 15.999 12 O 0.58677530471533 0.22797225372321 0.81401712347497 15.999 *13 O 0.29179997619567 0.22922455176126 0.21996637371698 15.999 14 O 0.70820002380433 0.72922455176126 0.28003362628302 15.999 15 O 0.70820002380433 0.77077544823874 0.78003362628302 15.999 16 O 0.29179997619567 0.27077544823874 0.71996637371698 15.999 *17 O 0.42435083753158 0.25424936607691 0.51903961910013 15.999 18 O 0.57564916246842 0.75424936607691 0.98096038089987 15.999 19 O 0.57564916246842 0.74575063392309 0.48096038089987 15.999 20 O 0.42435083753158 0.24575063392309 0.01903961910013 15.999 *21 O 0.13792375906409 0.74073018901984 0.62199299233407 15.999 22 O 0.86207624093591 0.24073018901984 0.87800700766593 15.999 23 O 0.86207624093591 0.25926981098016 0.37800700766593 15.999 24 O 0.13792375906409 0.75926981098016 0.12199299233407 15.999 *25 O 0.00421476959363 0.23665118794261 0.68210497552937 15.999 26 O 0.99578523040637 0.73665118794261 0.81789502447063 15.999 27 O 0.99578523040637 0.76334881205739 0.31789502447063 15.999 28 O 0.00421476959363 0.26334881205739 0.18210497552937 15.999 *29 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 30 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 *31 O 0.56998922589515 0.00063852857860 0.63992692272204 15.999 32 O 0.43001077410485 0.50063852857860 0.86007307727796 15.999 33 O 0.43001077410485 0.99936147142140 0.36007307727796 15.999 34 O 0.56998922589515 0.49936147142140 0.13992692272204 15.999 *35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 36 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 *37 O 0.15193175400558 0.00790797364904 0.79302977566644 15.999 38 O 0.84806824599442 0.50790797364904 0.70697022433356 15.999 39 O 0.84806824599442 0.99209202635096 0.20697022433356 15.999 40 O 0.15193175400558 0.49209202635096 0.29302977566644 15.999 *41 O 0.86157293981061 0.00310200175564 0.71494298143416 15.999 42 O 0.13842706018939 0.50310200175564 0.78505701856584 15.999 43 O 0.13842706018939 0.99689799824436 0.28505701856584 15.999 44 O 0.86157293981061 0.49689799824436 0.21494298143416 15.999 *45 O 0.43023626529657 0.99829459175375 0.85736756682866 15.999 46 O 0.56976373470343 0.49829459175375 0.64263243317134 15.999 47 O 0.56976373470343 0.00170540824625 0.14263243317134 15.999 48 O 0.43023626529657 0.50170540824625 0.35736756682866 15.999 *49 Nb 0.42037679703000 0.11992905030354 0.68482795093037 92.906 50 Nb 0.57962320297000 0.61992905030354 0.81517204906963 92.906 51 Nb 0.57962320297000 0.88007094969646 0.31517204906963 92.906 52 Nb 0.42037679703000 0.38007094969646 0.18482795093037 92.906 *53 Nb 0.28080183582711 0.11687781512823 0.40686300771594 92.906 54 Nb 0.71919816417289 0.61687781512823 0.09313699228406 92.906 55 Nb 0.71919816417289 0.88312218487177 0.59313699228406 92.906 56 Nb 0.28080183582711 0.38312218487177 0.90686300771594 92.906 *57 Nb 0.15474434897652 0.12687011798314 0.61736592333456 92.906 58 Nb 0.84525565102348 0.62687011798314 0.88263407666544 92.906 59 Nb 0.84525565102348 0.87312988201686 0.38263407666544 92.906 60 Nb 0.15474434897652 0.37312988201686 0.11736592333456 92.906 *61 Nb 0.58689176462254 0.13457835902776 0.46895142300987 92.906 62 Nb 0.41310823537746 0.63457835902776 0.03104857699013 92.906 63 Nb 0.41310823537746 0.86542164097224 0.53104857699013 92.906 64 Nb 0.58689176462254 0.36542164097224 0.96895142300987 92.906 *65 Nb 0.14868742835727 0.87182898890744 0.46073179364480 92.906 66 Nb 0.85131257164273 0.37182898890744 0.03926820635520 92.906 67 Nb 0.85131257164273 0.12817101109256 0.53926820635520 92.906 68 Nb 0.14868742835727 0.62817101109256 0.96073179364480 92.906 *69 Nb 0.71695507296586 0.12364266109873 0.26787173924251 92.906 70 Nb 0.28304492703415 0.62364266109873 0.23212826075749 92.906 71 Nb 0.28304492703415 0.87635733890127 0.73212826075749 92.906 72 Nb 0.71695507296586 0.37635733890127 0.76787173924251 92.906 *73 Nb 0.00063824071050 0.11361149229093 0.83894754701160 92.906 74 Nb 0.99936175928950 0.61361149229093 0.66105245298840 92.906 75 Nb 0.99936175928950 0.88638850770907 0.16105245298841 92.906 76 Nb 0.00063824071050 0.38638850770907 0.33894754701160 92.906 *77 La 0.33515690851803 0.48432565168148 0.54905367983073 138.905 78 La 0.66484309148197 0.98432565168148 0.95094632016927 138.905 79 La 0.66484309148197 0.51567434831852 0.45094632016927 138.905 80 La 0.33515690851803 0.01567434831852 0.04905367983073 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.815164250005022 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200235570000000 0.000000000000000 c -2.574812380429313 0.000000000000000 10.036277170738600 Atomic positions (fractional): *1 O 0.71888180815655 0.22672051890742 0.07885500509656 15.999 > 1 2 O 0.28111819184345 0.72672051890742 0.42114499490344 15.999 > 2 3 O 0.28111819184345 0.77327948109258 0.92114499490344 15.999 > 3 4 O 0.71888180815655 0.27327948109258 0.57885500509656 15.999 > 4 *5 O 0.15321802547729 0.26592635286381 0.45436816313809 15.999 > 5 6 O 0.84678197452271 0.76592635286381 0.04563183686191 15.999 > 6 7 O 0.84678197452271 0.73407364713619 0.54563183686191 15.999 > 7 8 O 0.15321802547729 0.23407364713619 0.95436816313809 15.999 > 8 *9 O 0.58677530471533 0.27202774627679 0.31401712347497 15.999 > 9 10 O 0.41322469528467 0.77202774627679 0.18598287652503 15.999 > 10 11 O 0.41322469528467 0.72797225372321 0.68598287652503 15.999 > 11 12 O 0.58677530471533 0.22797225372321 0.81401712347497 15.999 > 12 *13 O 0.29179997619567 0.22922455176126 0.21996637371698 15.999 > 13 14 O 0.70820002380433 0.72922455176126 0.28003362628302 15.999 > 14 15 O 0.70820002380433 0.77077544823874 0.78003362628302 15.999 > 15 16 O 0.29179997619567 0.27077544823874 0.71996637371698 15.999 > 16 *17 O 0.42435083753158 0.25424936607691 0.51903961910013 15.999 > 17 18 O 0.57564916246842 0.75424936607691 0.98096038089987 15.999 > 18 19 O 0.57564916246842 0.74575063392309 0.48096038089987 15.999 > 19 20 O 0.42435083753158 0.24575063392309 0.01903961910013 15.999 > 20 *21 O 0.13792375906409 0.74073018901984 0.62199299233407 15.999 > 21 22 O 0.86207624093591 0.24073018901984 0.87800700766593 15.999 > 22 23 O 0.86207624093591 0.25926981098016 0.37800700766593 15.999 > 23 24 O 0.13792375906409 0.75926981098016 0.12199299233407 15.999 > 24 *25 O 0.00421476959363 0.23665118794261 0.68210497552937 15.999 > 25 26 O 0.99578523040637 0.73665118794261 0.81789502447063 15.999 > 26 27 O 0.99578523040637 0.76334881205739 0.31789502447063 15.999 > 27 28 O 0.00421476959363 0.26334881205739 0.18210497552937 15.999 > 28 *29 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 29 30 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 30 *31 O 0.56998922589515 0.00063852857860 0.63992692272204 15.999 > 31 32 O 0.43001077410485 0.50063852857860 0.86007307727796 15.999 > 32 33 O 0.43001077410485 0.99936147142140 0.36007307727796 15.999 > 33 34 O 0.56998922589515 0.49936147142140 0.13992692272204 15.999 > 34 *35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 35 36 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 36 *37 O 0.15193175400558 0.00790797364904 0.79302977566644 15.999 > 37 38 O 0.84806824599442 0.50790797364904 0.70697022433356 15.999 > 38 39 O 0.84806824599442 0.99209202635096 0.20697022433356 15.999 > 39 40 O 0.15193175400558 0.49209202635096 0.29302977566644 15.999 > 40 *41 O 0.86157293981061 0.00310200175564 0.71494298143416 15.999 > 41 42 O 0.13842706018939 0.50310200175564 0.78505701856584 15.999 > 42 43 O 0.13842706018939 0.99689799824436 0.28505701856584 15.999 > 43 44 O 0.86157293981061 0.49689799824436 0.21494298143416 15.999 > 44 *45 O 0.43023626529657 0.99829459175375 0.85736756682866 15.999 > 45 46 O 0.56976373470343 0.49829459175375 0.64263243317134 15.999 > 46 47 O 0.56976373470343 0.00170540824625 0.14263243317134 15.999 > 47 48 O 0.43023626529657 0.50170540824625 0.35736756682866 15.999 > 48 *49 Nb 0.42037679703000 0.11992905030354 0.68482795093037 92.906 > 49 50 Nb 0.57962320297000 0.61992905030354 0.81517204906963 92.906 > 50 51 Nb 0.57962320297000 0.88007094969646 0.31517204906963 92.906 > 51 52 Nb 0.42037679703000 0.38007094969646 0.18482795093037 92.906 > 52 *53 Nb 0.28080183582711 0.11687781512823 0.40686300771594 92.906 > 53 54 Nb 0.71919816417289 0.61687781512823 0.09313699228406 92.906 > 54 55 Nb 0.71919816417289 0.88312218487177 0.59313699228406 92.906 > 55 56 Nb 0.28080183582711 0.38312218487177 0.90686300771594 92.906 > 56 *57 Nb 0.15474434897652 0.12687011798314 0.61736592333456 92.906 > 57 58 Nb 0.84525565102348 0.62687011798314 0.88263407666544 92.906 > 58 59 Nb 0.84525565102348 0.87312988201686 0.38263407666544 92.906 > 59 60 Nb 0.15474434897652 0.37312988201686 0.11736592333456 92.906 > 60 *61 Nb 0.58689176462254 0.13457835902776 0.46895142300987 92.906 > 61 62 Nb 0.41310823537746 0.63457835902776 0.03104857699013 92.906 > 62 63 Nb 0.41310823537746 0.86542164097224 0.53104857699013 92.906 > 63 64 Nb 0.58689176462254 0.36542164097224 0.96895142300987 92.906 > 64 *65 Nb 0.14868742835727 0.87182898890744 0.46073179364480 92.906 > 65 66 Nb 0.85131257164273 0.37182898890744 0.03926820635520 92.906 > 66 67 Nb 0.85131257164273 0.12817101109256 0.53926820635520 92.906 > 67 68 Nb 0.14868742835727 0.62817101109256 0.96073179364480 92.906 > 68 *69 Nb 0.71695507296586 0.12364266109873 0.26787173924251 92.906 > 69 70 Nb 0.28304492703415 0.62364266109873 0.23212826075749 92.906 > 70 71 Nb 0.28304492703415 0.87635733890127 0.73212826075749 92.906 > 71 72 Nb 0.71695507296586 0.37635733890127 0.76787173924251 92.906 > 72 *73 Nb 0.00063824071050 0.11361149229093 0.83894754701160 92.906 > 73 74 Nb 0.99936175928950 0.61361149229093 0.66105245298840 92.906 > 74 75 Nb 0.99936175928950 0.88638850770907 0.16105245298841 92.906 > 75 76 Nb 0.00063824071050 0.38638850770907 0.33894754701160 92.906 > 76 *77 La 0.33515690851803 0.48432565168148 0.54905367983073 138.905 > 77 78 La 0.66484309148197 0.98432565168148 0.95094632016927 138.905 > 78 79 La 0.66484309148197 0.51567434831852 0.45094632016927 138.905 > 79 80 La 0.33515690851803 0.01567434831852 0.04905367983073 138.905 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.815164250005022 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200235570000000 0.000000000000000 c -2.574812380429313 0.000000000000000 10.036277170738600 Atomic positions (fractional): *1 O 0.71888180815655 0.22672051890742 0.07885500509656 15.999 > 1 2 O 0.28111819184345 0.72672051890742 0.42114499490344 15.999 > 2 3 O 0.28111819184345 0.77327948109258 0.92114499490344 15.999 > 3 4 O 0.71888180815655 0.27327948109258 0.57885500509656 15.999 > 4 *5 O 0.15321802547729 0.26592635286381 0.45436816313809 15.999 > 5 6 O 0.84678197452271 0.76592635286381 0.04563183686191 15.999 > 6 7 O 0.84678197452271 0.73407364713619 0.54563183686191 15.999 > 7 8 O 0.15321802547729 0.23407364713619 0.95436816313809 15.999 > 8 *9 O 0.58677530471533 0.27202774627679 0.31401712347497 15.999 > 9 10 O 0.41322469528467 0.77202774627679 0.18598287652503 15.999 > 10 11 O 0.41322469528467 0.72797225372321 0.68598287652503 15.999 > 11 12 O 0.58677530471533 0.22797225372321 0.81401712347497 15.999 > 12 *13 O 0.29179997619567 0.22922455176126 0.21996637371698 15.999 > 13 14 O 0.70820002380433 0.72922455176126 0.28003362628302 15.999 > 14 15 O 0.70820002380433 0.77077544823874 0.78003362628302 15.999 > 15 16 O 0.29179997619567 0.27077544823874 0.71996637371698 15.999 > 16 *17 O 0.42435083753158 0.25424936607691 0.51903961910013 15.999 > 17 18 O 0.57564916246842 0.75424936607691 0.98096038089987 15.999 > 18 19 O 0.57564916246842 0.74575063392309 0.48096038089987 15.999 > 19 20 O 0.42435083753158 0.24575063392309 0.01903961910013 15.999 > 20 *21 O 0.13792375906409 0.74073018901984 0.62199299233407 15.999 > 21 22 O 0.86207624093591 0.24073018901984 0.87800700766593 15.999 > 22 23 O 0.86207624093591 0.25926981098016 0.37800700766593 15.999 > 23 24 O 0.13792375906409 0.75926981098016 0.12199299233407 15.999 > 24 *25 O 0.00421476959363 0.23665118794261 0.68210497552937 15.999 > 25 26 O 0.99578523040637 0.73665118794261 0.81789502447063 15.999 > 26 27 O 0.99578523040637 0.76334881205739 0.31789502447063 15.999 > 27 28 O 0.00421476959363 0.26334881205739 0.18210497552937 15.999 > 28 *29 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 29 30 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 30 *31 O 0.56998922589515 0.00063852857860 0.63992692272204 15.999 > 31 32 O 0.43001077410485 0.50063852857860 0.86007307727796 15.999 > 32 33 O 0.43001077410485 0.99936147142140 0.36007307727796 15.999 > 33 34 O 0.56998922589515 0.49936147142140 0.13992692272204 15.999 > 34 *35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 35 36 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 36 *37 O 0.15193175400558 0.00790797364904 0.79302977566644 15.999 > 37 38 O 0.84806824599442 0.50790797364904 0.70697022433356 15.999 > 38 39 O 0.84806824599442 0.99209202635096 0.20697022433356 15.999 > 39 40 O 0.15193175400558 0.49209202635096 0.29302977566644 15.999 > 40 *41 O 0.86157293981061 0.00310200175564 0.71494298143416 15.999 > 41 42 O 0.13842706018939 0.50310200175564 0.78505701856584 15.999 > 42 43 O 0.13842706018939 0.99689799824436 0.28505701856584 15.999 > 43 44 O 0.86157293981061 0.49689799824436 0.21494298143416 15.999 > 44 *45 O 0.43023626529657 0.99829459175375 0.85736756682866 15.999 > 45 46 O 0.56976373470343 0.49829459175375 0.64263243317134 15.999 > 46 47 O 0.56976373470343 0.00170540824625 0.14263243317134 15.999 > 47 48 O 0.43023626529657 0.50170540824625 0.35736756682866 15.999 > 48 *49 Nb 0.42037679703000 0.11992905030354 0.68482795093037 92.906 > 49 50 Nb 0.57962320297000 0.61992905030354 0.81517204906963 92.906 > 50 51 Nb 0.57962320297000 0.88007094969646 0.31517204906963 92.906 > 51 52 Nb 0.42037679703000 0.38007094969646 0.18482795093037 92.906 > 52 *53 Nb 0.28080183582711 0.11687781512823 0.40686300771594 92.906 > 53 54 Nb 0.71919816417289 0.61687781512823 0.09313699228406 92.906 > 54 55 Nb 0.71919816417289 0.88312218487177 0.59313699228406 92.906 > 55 56 Nb 0.28080183582711 0.38312218487177 0.90686300771594 92.906 > 56 *57 Nb 0.15474434897652 0.12687011798314 0.61736592333456 92.906 > 57 58 Nb 0.84525565102348 0.62687011798314 0.88263407666544 92.906 > 58 59 Nb 0.84525565102348 0.87312988201686 0.38263407666544 92.906 > 59 60 Nb 0.15474434897652 0.37312988201686 0.11736592333456 92.906 > 60 *61 Nb 0.58689176462254 0.13457835902776 0.46895142300987 92.906 > 61 62 Nb 0.41310823537746 0.63457835902776 0.03104857699013 92.906 > 62 63 Nb 0.41310823537746 0.86542164097224 0.53104857699013 92.906 > 63 64 Nb 0.58689176462254 0.36542164097224 0.96895142300987 92.906 > 64 *65 Nb 0.14868742835727 0.87182898890744 0.46073179364480 92.906 > 65 66 Nb 0.85131257164273 0.37182898890744 0.03926820635520 92.906 > 66 67 Nb 0.85131257164273 0.12817101109256 0.53926820635520 92.906 > 67 68 Nb 0.14868742835727 0.62817101109256 0.96073179364480 92.906 > 68 *69 Nb 0.71695507296586 0.12364266109873 0.26787173924251 92.906 > 69 70 Nb 0.28304492703415 0.62364266109873 0.23212826075749 92.906 > 70 71 Nb 0.28304492703415 0.87635733890127 0.73212826075749 92.906 > 71 72 Nb 0.71695507296586 0.37635733890127 0.76787173924251 92.906 > 72 *73 Nb 0.00063824071050 0.11361149229093 0.83894754701160 92.906 > 73 74 Nb 0.99936175928950 0.61361149229093 0.66105245298840 92.906 > 74 75 Nb 0.99936175928950 0.88638850770907 0.16105245298841 92.906 > 75 76 Nb 0.00063824071050 0.38638850770907 0.33894754701160 92.906 > 76 *77 La 0.33515690851803 0.48432565168148 0.54905367983073 138.905 > 77 78 La 0.66484309148197 0.98432565168148 0.95094632016927 138.905 > 78 79 La 0.66484309148197 0.51567434831852 0.45094632016927 138.905 > 79 80 La 0.33515690851803 0.01567434831852 0.04905367983073 138.905 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.4318656 0.0000000 -0.7919307 0.0000000 10.1977655 0.0000000 -0.7920264 0.0000000 13.5475912 -------------------------- Born effective charges -------------------------- 1 O -1.0923610 -0.7743395 0.2379012 -0.4072675 -3.4265894 1.2776928 0.5357880 1.7231742 -2.7806740 2 O -1.0923610 0.7743395 0.2379012 0.4072675 -3.4265894 -1.2776928 0.5357880 -1.7231742 -2.7806740 3 O -1.0923610 -0.7743395 0.2379012 -0.4072675 -3.4265894 1.2776928 0.5357880 1.7231742 -2.7806740 4 O -1.0923610 0.7743395 0.2379012 0.4072675 -3.4265894 -1.2776928 0.5357880 -1.7231742 -2.7806740 5 O -2.6798240 1.3383067 -1.0147676 1.0845655 -3.4056809 1.5120170 -0.7011874 1.5395557 -2.9294725 6 O -2.6798240 -1.3383067 -1.0147676 -1.0845655 -3.4056809 -1.5120170 -0.7011874 -1.5395557 -2.9294725 7 O -2.6798240 1.3383067 -1.0147676 1.0845655 -3.4056809 1.5120170 -0.7011874 1.5395557 -2.9294725 8 O -2.6798240 -1.3383067 -1.0147676 -1.0845655 -3.4056809 -1.5120170 -0.7011874 -1.5395557 -2.9294725 9 O -1.8688254 1.5720679 -0.7896086 1.0585616 -3.3659240 1.0092554 -0.9904749 1.2672090 -2.1762403 10 O -1.8688254 -1.5720679 -0.7896086 -1.0585616 -3.3659240 -1.0092554 -0.9904749 -1.2672090 -2.1762403 11 O -1.8688254 1.5720679 -0.7896086 1.0585616 -3.3659240 1.0092554 -0.9904749 1.2672090 -2.1762403 12 O -1.8688254 -1.5720679 -0.7896086 -1.0585616 -3.3659240 -1.0092554 -0.9904749 -1.2672090 -2.1762403 13 O -1.4217910 -0.2634032 0.6000765 -0.4847742 -2.9761697 1.6979565 0.5509756 1.7205630 -2.9299598 14 O -1.4217910 0.2634032 0.6000765 0.4847742 -2.9761697 -1.6979565 0.5509756 -1.7205630 -2.9299598 15 O -1.4217910 -0.2634032 0.6000765 -0.4847742 -2.9761697 1.6979565 0.5509756 1.7205630 -2.9299598 16 O -1.4217910 0.2634032 0.6000765 0.4847742 -2.9761697 -1.6979565 0.5509756 -1.7205630 -2.9299598 17 O -2.9288538 0.7710955 0.4911802 0.3789287 -3.2267370 -0.1424434 0.2619004 -0.0824856 -1.3382731 18 O -2.9288538 -0.7710955 0.4911802 -0.3789287 -3.2267370 0.1424434 0.2619004 0.0824856 -1.3382731 19 O -2.9288538 0.7710955 0.4911802 0.3789287 -3.2267370 -0.1424434 0.2619004 -0.0824856 -1.3382731 20 O -2.9288538 -0.7710955 0.4911802 -0.3789287 -3.2267370 0.1424434 0.2619004 0.0824856 -1.3382731 21 O -3.9359199 -2.4114266 0.8413434 -2.1175502 -3.5395745 1.1554673 1.0181613 1.1559492 -2.3763787 22 O -3.9359199 2.4114266 0.8413434 2.1175502 -3.5395745 -1.1554673 1.0181613 -1.1559492 -2.3763787 23 O -3.9359199 -2.4114266 0.8413434 -2.1175502 -3.5395745 1.1554673 1.0181613 1.1559492 -2.3763787 24 O -3.9359199 2.4114266 0.8413434 2.1175502 -3.5395745 -1.1554673 1.0181613 -1.1559492 -2.3763787 25 O -2.9467955 0.0678083 0.2033091 0.1170427 -1.4870170 -0.4457322 0.2500997 -0.3504183 -3.0107231 26 O -2.9467955 -0.0678083 0.2033091 -0.1170427 -1.4870170 0.4457322 0.2500997 0.3504183 -3.0107231 27 O -2.9467955 0.0678083 0.2033091 0.1170427 -1.4870170 -0.4457322 0.2500997 -0.3504183 -3.0107231 28 O -2.9467955 -0.0678083 0.2033091 -0.1170427 -1.4870170 0.4457322 0.2500997 0.3504183 -3.0107231 29 O -2.4291006 -1.0091703 1.8280473 -0.4775695 -2.8459093 1.9900466 2.1485348 4.4064079 -8.9821408 30 O -2.4291006 1.0091703 1.8280473 0.4775695 -2.8459093 -1.9900466 2.1485348 -4.4064079 -8.9821408 31 O -2.6689790 -1.2404935 0.0927327 -0.0126644 -0.9986688 -0.0387935 0.1929738 0.2541908 -1.8045949 32 O -2.6689790 1.2404935 0.0927327 0.0126644 -0.9986688 0.0387935 0.1929738 -0.2541908 -1.8045949 33 O -2.6689790 -1.2404935 0.0927327 -0.0126644 -0.9986688 -0.0387935 0.1929738 0.2541908 -1.8045949 34 O -2.6689790 1.2404935 0.0927327 0.0126644 -0.9986688 0.0387935 0.1929738 -0.2541908 -1.8045949 35 O -4.8365671 0.1759320 -0.6310609 0.1995554 -1.1747517 -0.7965902 -0.5563123 -0.4571784 -1.6072881 36 O -4.8365671 -0.1759320 -0.6310609 -0.1995554 -1.1747517 0.7965902 -0.5563123 0.4571784 -1.6072881 37 O -3.4767164 0.6124073 1.3153870 1.1247285 -1.6635903 -0.4839376 0.7829053 0.1644707 -2.7857424 38 O -3.4767164 -0.6124073 1.3153870 -1.1247285 -1.6635903 0.4839376 0.7829053 -0.1644707 -2.7857424 39 O -3.4767164 0.6124073 1.3153870 1.1247285 -1.6635903 -0.4839376 0.7829053 0.1644707 -2.7857424 40 O -3.4767164 -0.6124073 1.3153870 -1.1247285 -1.6635903 0.4839376 0.7829053 -0.1644707 -2.7857424 41 O -2.5818145 -1.0532590 -1.9531626 -0.8695929 -1.6719262 -1.0966995 -0.7545439 -0.1333839 -3.7767187 42 O -2.5818145 1.0532590 -1.9531626 0.8695929 -1.6719262 1.0966995 -0.7545439 0.1333839 -3.7767187 43 O -2.5818145 -1.0532590 -1.9531626 -0.8695929 -1.6719262 -1.0966995 -0.7545439 -0.1333839 -3.7767187 44 O -2.5818145 1.0532590 -1.9531626 0.8695929 -1.6719262 1.0966995 -0.7545439 0.1333839 -3.7767187 45 O -2.3414884 -0.0939049 -0.1307512 0.0550150 -1.4503026 0.0556491 -0.4478795 0.0931860 -3.7769421 46 O -2.3414884 0.0939049 -0.1307512 -0.0550150 -1.4503026 -0.0556491 -0.4478795 -0.0931860 -3.7769421 47 O -2.3414884 -0.0939049 -0.1307512 0.0550150 -1.4503026 0.0556491 -0.4478795 0.0931860 -3.7769421 48 O -2.3414884 0.0939049 -0.1307512 -0.0550150 -1.4503026 -0.0556491 -0.4478795 -0.0931860 -3.7769421 49 Nb 3.0697174 0.3927404 -0.5607775 0.1046063 2.4031637 1.0233455 -0.3951964 0.5151601 3.2514228 50 Nb 3.0697174 -0.3927404 -0.5607775 -0.1046063 2.4031637 -1.0233455 -0.3951964 -0.5151601 3.2514228 51 Nb 3.0697174 0.3927404 -0.5607775 0.1046063 2.4031637 1.0233455 -0.3951964 0.5151601 3.2514228 52 Nb 3.0697174 -0.3927404 -0.5607775 -0.1046063 2.4031637 -1.0233455 -0.3951964 -0.5151601 3.2514228 53 Nb 4.1508533 0.5543606 0.3609310 0.1229643 2.6118681 -0.9813556 0.3224657 -0.3930403 2.0506345 54 Nb 4.1508533 -0.5543606 0.3609310 -0.1229643 2.6118681 0.9813556 0.3224657 0.3930403 2.0506345 55 Nb 4.1508533 0.5543606 0.3609310 0.1229643 2.6118681 -0.9813556 0.3224657 -0.3930403 2.0506345 56 Nb 4.1508533 -0.5543606 0.3609310 -0.1229643 2.6118681 0.9813556 0.3224657 0.3930403 2.0506345 57 Nb 2.5056061 0.5178115 0.1206971 0.5372278 2.1076120 0.3594875 -0.4166444 0.3331393 3.4053565 58 Nb 2.5056061 -0.5178115 0.1206971 -0.5372278 2.1076120 -0.3594875 -0.4166444 -0.3331393 3.4053565 59 Nb 2.5056061 0.5178115 0.1206971 0.5372278 2.1076120 0.3594875 -0.4166444 0.3331393 3.4053565 60 Nb 2.5056061 -0.5178115 0.1206971 -0.5372278 2.1076120 -0.3594875 -0.4166444 -0.3331393 3.4053565 61 Nb 1.1540022 0.2495150 0.3908091 0.9821215 2.6294394 -0.3071288 0.3120145 -0.5770165 2.2527051 62 Nb 1.1540022 -0.2495150 0.3908091 -0.9821215 2.6294394 0.3071288 0.3120145 0.5770165 2.2527051 63 Nb 1.1540022 0.2495150 0.3908091 0.9821215 2.6294394 -0.3071288 0.3120145 -0.5770165 2.2527051 64 Nb 1.1540022 -0.2495150 0.3908091 -0.9821215 2.6294394 0.3071288 0.3120145 0.5770165 2.2527051 65 Nb 3.7447914 -0.1602546 -0.3500805 -0.5467441 2.6120852 -0.0524681 -0.3120289 -0.1858747 3.4722805 66 Nb 3.7447914 0.1602546 -0.3500805 0.5467441 2.6120852 0.0524681 -0.3120289 0.1858747 3.4722805 67 Nb 3.7447914 -0.1602546 -0.3500805 -0.5467441 2.6120852 -0.0524681 -0.3120289 -0.1858747 3.4722805 68 Nb 3.7447914 0.1602546 -0.3500805 0.5467441 2.6120852 0.0524681 -0.3120289 0.1858747 3.4722805 69 Nb 3.1595650 0.0252018 -0.0047260 -0.2082480 3.2183838 -0.5967406 0.1630886 -0.4473912 2.3151114 70 Nb 3.1595650 -0.0252018 -0.0047260 0.2082480 3.2183838 0.5967406 0.1630886 0.4473912 2.3151114 71 Nb 3.1595650 0.0252018 -0.0047260 -0.2082480 3.2183838 -0.5967406 0.1630886 -0.4473912 2.3151114 72 Nb 3.1595650 -0.0252018 -0.0047260 0.2082480 3.2183838 0.5967406 0.1630886 0.4473912 2.3151114 73 Nb 10.0275270 0.3202005 -0.6100819 -0.7260056 7.2148538 2.6408265 -1.6046734 -0.2253865 13.0826376 74 Nb 10.0275270 -0.3202005 -0.6100819 0.7260056 7.2148538 -2.6408265 -1.6046734 0.2253865 13.0826376 75 Nb 10.0275270 0.3202005 -0.6100819 -0.7260056 7.2148538 2.6408265 -1.6046734 -0.2253865 13.0826376 76 Nb 10.0275270 -0.3202005 -0.6100819 0.7260056 7.2148538 -2.6408265 -1.6046734 0.2253865 13.0826376 77 La 3.7641403 -0.1265147 0.1610955 0.0476379 6.4251052 0.0415746 0.4361449 0.1221148 5.1502857 78 La 3.7641403 0.1265147 0.1610955 -0.0476379 6.4251052 -0.0415746 0.4361449 -0.1221148 5.1502857 79 La 3.7641403 -0.1265147 0.1610955 0.0476379 6.4251052 0.0415746 0.4361449 0.1221148 5.1502857 80 La 3.7641403 0.1265147 0.1610955 -0.0476379 6.4251052 -0.0415746 0.4361449 -0.1221148 5.1502857 ---------------------------------------------------------------------------- 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: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7338 Number of blocks in projector: 7338 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: 1604 Use submatrix version of eigh solver. (1) Block: 500 / 1604 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 1000 / 1604 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 1604 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1604 / 1604 (1) 69 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 104 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1604 Use submatrix version of eigh solver. (1) Block: 500 / 1604 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 1000 / 1604 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 1604 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1604 / 1604 (1) 69 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 104 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1604 Use submatrix version of eigh solver. (1) Block: 500 / 1604 (2) Block: 250 / 500 (2) 209 eigenvectors found. (2) Block: 500 / 500 (2) 211 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 39 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 1000 / 1604 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1500 / 1604 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1604 / 1604 (1) 92 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 72 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 842 Use submatrix version of eigh solver. (1) Block: 500 / 842 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 842 / 842 (1) 321 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 842 Use submatrix version of eigh solver. (1) Block: 500 / 842 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 842 / 842 (1) 321 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 842 Use submatrix version of eigh solver. (1) Block: 500 / 842 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 842 / 842 (1) 321 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. Tree of FC basis block matrices: - (7338, 7150), data: False |-- (842, 821), data: False |-- (842, 21), data: (842, 42) @ (42, 21) |-- (342, 321), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True |-- (842, 821), data: False |-- (842, 21), data: (842, 42) @ (42, 21) |-- (342, 321), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True |-- (842, 821), data: False |-- (842, 21), data: (842, 42) @ (42, 21) |-- (342, 321), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True |-- (1604, 1563), data: False |-- (1604, 72), data: (1604, 113) @ (113, 72) |-- (104, 92), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 231), data: True |-- (250, 225), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 219), data: True |-- (250, 215), data: True |-- (500, 459), data: False |-- (500, 39), data: (500, 80) @ (80, 39) |-- (250, 211), data: True |-- (250, 209), data: True |-- (1604, 1562), data: False |-- (1604, 104), data: (1604, 146) @ (146, 104) |-- (104, 69), data: True |-- (500, 467), data: False |-- (500, 24), data: (500, 57) @ (57, 24) |-- (250, 217), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True |-- (1604, 1562), data: False |-- (1604, 104), data: (1604, 146) @ (146, 104) |-- (104, 69), data: True |-- (500, 467), data: False |-- (500, 24), data: (500, 57) @ (57, 24) |-- (250, 217), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2400 - Time: 2.229 Solver_block: 200 / 2400 - Time: 2.154 Solver_block: 300 / 2400 - Time: 2.157 Solver_block: 400 / 2400 - Time: 2.148 Solver_block: 500 / 2400 - Time: 2.107 Solver_block: 600 / 2400 - Time: 2.167 Solver_block: 700 / 2400 - Time: 2.159 Solver_block: 800 / 2400 - Time: 2.158 Solver_block: 900 / 2400 - Time: 2.144 Solver_block: 1000 / 2400 - Time: 2.109 Solver_block: 1100 / 2400 - Time: 2.157 Solver_block: 1200 / 2400 - Time: 2.143 Solver_block: 1300 / 2400 - Time: 2.097 Solver_block: 1400 / 2400 - Time: 2.216 Solver_block: 1500 / 2400 - Time: 2.143 Solver_block: 1600 / 2400 - Time: 2.161 Solver_block: 1700 / 2400 - Time: 2.167 Solver_block: 1800 / 2400 - Time: 2.106 Solver_block: 1900 / 2400 - Time: 2.110 Solver_block: 2000 / 2400 - Time: 2.176 Solver_block: 2100 / 2400 - Time: 2.113 Solver_block: 2200 / 2400 - Time: 2.170 Solver_block: 2300 / 2400 - Time: 2.128 Solver_block: 2400 / 2400 - Time: 2.093 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 52.660 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 240/240 Permutation basis: 28680/28680 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 7338 Number of blocks in projector: 7338 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: 1604 Use submatrix version of eigh solver. (1) Block: 500 / 1604 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 1000 / 1604 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 1604 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1604 / 1604 (1) 69 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 104 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1604 Use submatrix version of eigh solver. (1) Block: 500 / 1604 (2) Block: 250 / 500 (2) 208 eigenvectors found. (2) Block: 500 / 500 (2) 210 eigenvectors found. (2) Complementary block size: 82 (2) Compute compressed projector. (2) Use standard solver. (2) 40 eigenvectors found. (1) 458 eigenvectors found. (1) Block: 1000 / 1604 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 1604 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 217 eigenvectors found. (2) Complementary block size: 57 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 467 eigenvectors found. (1) Block: 1604 / 1604 (1) 69 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 104 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1604 Use submatrix version of eigh solver. (1) Block: 500 / 1604 (2) Block: 250 / 500 (2) 209 eigenvectors found. (2) Block: 500 / 500 (2) 211 eigenvectors found. (2) Complementary block size: 80 (2) Compute compressed projector. (2) Use standard solver. (2) 39 eigenvectors found. (1) 459 eigenvectors found. (1) Block: 1000 / 1604 (2) Block: 250 / 500 (2) 215 eigenvectors found. (2) Block: 500 / 500 (2) 219 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 465 eigenvectors found. (1) Block: 1500 / 1604 (2) Block: 250 / 500 (2) 225 eigenvectors found. (2) Block: 500 / 500 (2) 231 eigenvectors found. (2) Complementary block size: 44 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 475 eigenvectors found. (1) Block: 1604 / 1604 (1) 92 eigenvectors found. (1) Complementary block size: 113 (1) Compute compressed projector. (1) Use standard solver. (1) 72 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 842 Use submatrix version of eigh solver. (1) Block: 500 / 842 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 842 / 842 (1) 321 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 842 Use submatrix version of eigh solver. (1) Block: 500 / 842 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 842 / 842 (1) 321 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 842 Use submatrix version of eigh solver. (1) Block: 500 / 842 (2) Block: 250 / 500 (2) 229 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 39 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 479 eigenvectors found. (1) Block: 842 / 842 (1) 321 eigenvectors found. (1) Complementary block size: 42 (1) Compute compressed projector. (1) Use standard solver. (1) 21 eigenvectors found. Tree of FC basis block matrices: - (7338, 7150), data: False |-- (842, 821), data: False |-- (842, 21), data: (842, 42) @ (42, 21) |-- (342, 321), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True |-- (842, 821), data: False |-- (842, 21), data: (842, 42) @ (42, 21) |-- (342, 321), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True |-- (842, 821), data: False |-- (842, 21), data: (842, 42) @ (42, 21) |-- (342, 321), data: True |-- (500, 479), data: False |-- (500, 18), data: (500, 39) @ (39, 18) |-- (250, 232), data: True |-- (250, 229), data: True |-- (1604, 1563), data: False |-- (1604, 72), data: (1604, 113) @ (113, 72) |-- (104, 92), data: True |-- (500, 475), data: False |-- (500, 19), data: (500, 44) @ (44, 19) |-- (250, 231), data: True |-- (250, 225), data: True |-- (500, 465), data: False |-- (500, 31), data: (500, 66) @ (66, 31) |-- (250, 219), data: True |-- (250, 215), data: True |-- (500, 459), data: False |-- (500, 39), data: (500, 80) @ (80, 39) |-- (250, 211), data: True |-- (250, 209), data: True |-- (1604, 1562), data: False |-- (1604, 104), data: (1604, 146) @ (146, 104) |-- (104, 69), data: True |-- (500, 467), data: False |-- (500, 24), data: (500, 57) @ (57, 24) |-- (250, 217), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True |-- (1604, 1562), data: False |-- (1604, 104), data: (1604, 146) @ (146, 104) |-- (104, 69), data: True |-- (500, 467), data: False |-- (500, 24), data: (500, 57) @ (57, 24) |-- (250, 217), data: True |-- (250, 226), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 218), data: True |-- (250, 214), data: True |-- (500, 458), data: False |-- (500, 40), data: (500, 82) @ (82, 40) |-- (250, 210), data: True |-- (250, 208), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 07:56:21]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:56:22]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.815164250005022 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200235570000000 0.000000000000000 c -2.574812380429313 0.000000000000000 10.036277170738600 Atomic positions (fractional): 1 O 0.71888180815655 0.22672051890742 0.07885500509656 15.999 2 O 0.28111819184345 0.72672051890742 0.42114499490344 15.999 3 O 0.28111819184345 0.77327948109258 0.92114499490344 15.999 4 O 0.71888180815655 0.27327948109258 0.57885500509656 15.999 5 O 0.15321802547729 0.26592635286381 0.45436816313809 15.999 6 O 0.84678197452271 0.76592635286381 0.04563183686191 15.999 7 O 0.84678197452271 0.73407364713619 0.54563183686191 15.999 8 O 0.15321802547729 0.23407364713619 0.95436816313809 15.999 9 O 0.58677530471533 0.27202774627679 0.31401712347497 15.999 10 O 0.41322469528467 0.77202774627679 0.18598287652503 15.999 11 O 0.41322469528467 0.72797225372321 0.68598287652503 15.999 12 O 0.58677530471533 0.22797225372321 0.81401712347497 15.999 13 O 0.29179997619567 0.22922455176126 0.21996637371698 15.999 14 O 0.70820002380433 0.72922455176126 0.28003362628302 15.999 15 O 0.70820002380433 0.77077544823874 0.78003362628302 15.999 16 O 0.29179997619567 0.27077544823874 0.71996637371698 15.999 17 O 0.42435083753158 0.25424936607691 0.51903961910013 15.999 18 O 0.57564916246842 0.75424936607691 0.98096038089987 15.999 19 O 0.57564916246842 0.74575063392309 0.48096038089987 15.999 20 O 0.42435083753158 0.24575063392309 0.01903961910013 15.999 21 O 0.13792375906409 0.74073018901984 0.62199299233407 15.999 22 O 0.86207624093591 0.24073018901984 0.87800700766593 15.999 23 O 0.86207624093591 0.25926981098016 0.37800700766593 15.999 24 O 0.13792375906409 0.75926981098016 0.12199299233407 15.999 25 O 0.00421476959363 0.23665118794261 0.68210497552937 15.999 26 O 0.99578523040637 0.73665118794261 0.81789502447063 15.999 27 O 0.99578523040637 0.76334881205739 0.31789502447063 15.999 28 O 0.00421476959363 0.26334881205739 0.18210497552937 15.999 29 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 30 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 31 O 0.56998922589515 0.00063852857860 0.63992692272204 15.999 32 O 0.43001077410485 0.50063852857860 0.86007307727796 15.999 33 O 0.43001077410485 0.99936147142140 0.36007307727796 15.999 34 O 0.56998922589515 0.49936147142140 0.13992692272204 15.999 35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 36 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 37 O 0.15193175400558 0.00790797364904 0.79302977566644 15.999 38 O 0.84806824599442 0.50790797364904 0.70697022433356 15.999 39 O 0.84806824599442 0.99209202635096 0.20697022433356 15.999 40 O 0.15193175400558 0.49209202635096 0.29302977566644 15.999 41 O 0.86157293981061 0.00310200175564 0.71494298143416 15.999 42 O 0.13842706018939 0.50310200175564 0.78505701856584 15.999 43 O 0.13842706018939 0.99689799824436 0.28505701856584 15.999 44 O 0.86157293981061 0.49689799824436 0.21494298143416 15.999 45 O 0.43023626529657 0.99829459175375 0.85736756682866 15.999 46 O 0.56976373470343 0.49829459175375 0.64263243317134 15.999 47 O 0.56976373470343 0.00170540824625 0.14263243317134 15.999 48 O 0.43023626529657 0.50170540824625 0.35736756682866 15.999 49 Nb 0.42037679703000 0.11992905030354 0.68482795093037 92.906 50 Nb 0.57962320297000 0.61992905030354 0.81517204906963 92.906 51 Nb 0.57962320297000 0.88007094969646 0.31517204906963 92.906 52 Nb 0.42037679703000 0.38007094969646 0.18482795093037 92.906 53 Nb 0.28080183582711 0.11687781512823 0.40686300771594 92.906 54 Nb 0.71919816417289 0.61687781512823 0.09313699228406 92.906 55 Nb 0.71919816417289 0.88312218487177 0.59313699228406 92.906 56 Nb 0.28080183582711 0.38312218487177 0.90686300771594 92.906 57 Nb 0.15474434897652 0.12687011798314 0.61736592333456 92.906 58 Nb 0.84525565102348 0.62687011798314 0.88263407666544 92.906 59 Nb 0.84525565102348 0.87312988201686 0.38263407666544 92.906 60 Nb 0.15474434897652 0.37312988201686 0.11736592333456 92.906 61 Nb 0.58689176462254 0.13457835902776 0.46895142300987 92.906 62 Nb 0.41310823537746 0.63457835902776 0.03104857699013 92.906 63 Nb 0.41310823537746 0.86542164097224 0.53104857699013 92.906 64 Nb 0.58689176462254 0.36542164097224 0.96895142300987 92.906 65 Nb 0.14868742835727 0.87182898890744 0.46073179364480 92.906 66 Nb 0.85131257164273 0.37182898890744 0.03926820635520 92.906 67 Nb 0.85131257164273 0.12817101109256 0.53926820635520 92.906 68 Nb 0.14868742835727 0.62817101109256 0.96073179364480 92.906 69 Nb 0.71695507296586 0.12364266109873 0.26787173924251 92.906 70 Nb 0.28304492703415 0.62364266109873 0.23212826075749 92.906 71 Nb 0.28304492703415 0.87635733890127 0.73212826075749 92.906 72 Nb 0.71695507296586 0.37635733890127 0.76787173924251 92.906 73 Nb 0.00063824071050 0.11361149229093 0.83894754701160 92.906 74 Nb 0.99936175928950 0.61361149229093 0.66105245298840 92.906 75 Nb 0.99936175928950 0.88638850770907 0.16105245298841 92.906 76 Nb 0.00063824071050 0.38638850770907 0.33894754701160 92.906 77 La 0.33515690851803 0.48432565168148 0.54905367983073 138.905 78 La 0.66484309148197 0.98432565168148 0.95094632016927 138.905 79 La 0.66484309148197 0.51567434831852 0.45094632016927 138.905 80 La 0.33515690851803 0.01567434831852 0.04905367983073 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.815164250005022 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200235570000000 0.000000000000000 c -2.574812380429313 0.000000000000000 10.036277170738600 Atomic positions (fractional): 1 O 0.71888180815655 0.22672051890742 0.07885500509656 15.999 > 1 2 O 0.28111819184345 0.72672051890742 0.42114499490344 15.999 > 2 3 O 0.28111819184345 0.77327948109258 0.92114499490344 15.999 > 3 4 O 0.71888180815655 0.27327948109258 0.57885500509656 15.999 > 4 5 O 0.15321802547729 0.26592635286381 0.45436816313809 15.999 > 5 6 O 0.84678197452271 0.76592635286381 0.04563183686191 15.999 > 6 7 O 0.84678197452271 0.73407364713619 0.54563183686191 15.999 > 7 8 O 0.15321802547729 0.23407364713619 0.95436816313809 15.999 > 8 9 O 0.58677530471533 0.27202774627679 0.31401712347497 15.999 > 9 10 O 0.41322469528467 0.77202774627679 0.18598287652503 15.999 > 10 11 O 0.41322469528467 0.72797225372321 0.68598287652503 15.999 > 11 12 O 0.58677530471533 0.22797225372321 0.81401712347497 15.999 > 12 13 O 0.29179997619567 0.22922455176126 0.21996637371698 15.999 > 13 14 O 0.70820002380433 0.72922455176126 0.28003362628302 15.999 > 14 15 O 0.70820002380433 0.77077544823874 0.78003362628302 15.999 > 15 16 O 0.29179997619567 0.27077544823874 0.71996637371698 15.999 > 16 17 O 0.42435083753158 0.25424936607691 0.51903961910013 15.999 > 17 18 O 0.57564916246842 0.75424936607691 0.98096038089987 15.999 > 18 19 O 0.57564916246842 0.74575063392309 0.48096038089987 15.999 > 19 20 O 0.42435083753158 0.24575063392309 0.01903961910013 15.999 > 20 21 O 0.13792375906409 0.74073018901984 0.62199299233407 15.999 > 21 22 O 0.86207624093591 0.24073018901984 0.87800700766593 15.999 > 22 23 O 0.86207624093591 0.25926981098016 0.37800700766593 15.999 > 23 24 O 0.13792375906409 0.75926981098016 0.12199299233407 15.999 > 24 25 O 0.00421476959363 0.23665118794261 0.68210497552937 15.999 > 25 26 O 0.99578523040637 0.73665118794261 0.81789502447063 15.999 > 26 27 O 0.99578523040637 0.76334881205739 0.31789502447063 15.999 > 27 28 O 0.00421476959363 0.26334881205739 0.18210497552937 15.999 > 28 29 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 29 30 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 30 31 O 0.56998922589515 0.00063852857860 0.63992692272204 15.999 > 31 32 O 0.43001077410485 0.50063852857860 0.86007307727796 15.999 > 32 33 O 0.43001077410485 0.99936147142140 0.36007307727796 15.999 > 33 34 O 0.56998922589515 0.49936147142140 0.13992692272204 15.999 > 34 35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 35 36 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 36 37 O 0.15193175400558 0.00790797364904 0.79302977566644 15.999 > 37 38 O 0.84806824599442 0.50790797364904 0.70697022433356 15.999 > 38 39 O 0.84806824599442 0.99209202635096 0.20697022433356 15.999 > 39 40 O 0.15193175400558 0.49209202635096 0.29302977566644 15.999 > 40 41 O 0.86157293981061 0.00310200175564 0.71494298143416 15.999 > 41 42 O 0.13842706018939 0.50310200175564 0.78505701856584 15.999 > 42 43 O 0.13842706018939 0.99689799824436 0.28505701856584 15.999 > 43 44 O 0.86157293981061 0.49689799824436 0.21494298143416 15.999 > 44 45 O 0.43023626529657 0.99829459175375 0.85736756682866 15.999 > 45 46 O 0.56976373470343 0.49829459175375 0.64263243317134 15.999 > 46 47 O 0.56976373470343 0.00170540824625 0.14263243317134 15.999 > 47 48 O 0.43023626529657 0.50170540824625 0.35736756682866 15.999 > 48 49 Nb 0.42037679703000 0.11992905030354 0.68482795093037 92.906 > 49 50 Nb 0.57962320297000 0.61992905030354 0.81517204906963 92.906 > 50 51 Nb 0.57962320297000 0.88007094969646 0.31517204906963 92.906 > 51 52 Nb 0.42037679703000 0.38007094969646 0.18482795093037 92.906 > 52 53 Nb 0.28080183582711 0.11687781512823 0.40686300771594 92.906 > 53 54 Nb 0.71919816417289 0.61687781512823 0.09313699228406 92.906 > 54 55 Nb 0.71919816417289 0.88312218487177 0.59313699228406 92.906 > 55 56 Nb 0.28080183582711 0.38312218487177 0.90686300771594 92.906 > 56 57 Nb 0.15474434897652 0.12687011798314 0.61736592333456 92.906 > 57 58 Nb 0.84525565102348 0.62687011798314 0.88263407666544 92.906 > 58 59 Nb 0.84525565102348 0.87312988201686 0.38263407666544 92.906 > 59 60 Nb 0.15474434897652 0.37312988201686 0.11736592333456 92.906 > 60 61 Nb 0.58689176462254 0.13457835902776 0.46895142300987 92.906 > 61 62 Nb 0.41310823537746 0.63457835902776 0.03104857699013 92.906 > 62 63 Nb 0.41310823537746 0.86542164097224 0.53104857699013 92.906 > 63 64 Nb 0.58689176462254 0.36542164097224 0.96895142300987 92.906 > 64 65 Nb 0.14868742835727 0.87182898890744 0.46073179364480 92.906 > 65 66 Nb 0.85131257164273 0.37182898890744 0.03926820635520 92.906 > 66 67 Nb 0.85131257164273 0.12817101109256 0.53926820635520 92.906 > 67 68 Nb 0.14868742835727 0.62817101109256 0.96073179364480 92.906 > 68 69 Nb 0.71695507296586 0.12364266109873 0.26787173924251 92.906 > 69 70 Nb 0.28304492703415 0.62364266109873 0.23212826075749 92.906 > 70 71 Nb 0.28304492703415 0.87635733890127 0.73212826075749 92.906 > 71 72 Nb 0.71695507296586 0.37635733890127 0.76787173924251 92.906 > 72 73 Nb 0.00063824071050 0.11361149229093 0.83894754701160 92.906 > 73 74 Nb 0.99936175928950 0.61361149229093 0.66105245298840 92.906 > 74 75 Nb 0.99936175928950 0.88638850770907 0.16105245298841 92.906 > 75 76 Nb 0.00063824071050 0.38638850770907 0.33894754701160 92.906 > 76 77 La 0.33515690851803 0.48432565168148 0.54905367983073 138.905 > 77 78 La 0.66484309148197 0.98432565168148 0.95094632016927 138.905 > 78 79 La 0.66484309148197 0.51567434831852 0.45094632016927 138.905 > 79 80 La 0.33515690851803 0.01567434831852 0.04905367983073 138.905 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 15.4318656 0.0000000 -0.7919307 0.0000000 10.1977655 0.0000000 -0.7920264 0.0000000 13.5475912 -------------------------- Born effective charges -------------------------- 1 O -1.0923610 -0.7743395 0.2379012 -0.4072675 -3.4265894 1.2776928 0.5357880 1.7231742 -2.7806740 2 O -1.0923610 0.7743395 0.2379012 0.4072675 -3.4265894 -1.2776928 0.5357880 -1.7231742 -2.7806740 3 O -1.0923610 -0.7743395 0.2379012 -0.4072675 -3.4265894 1.2776928 0.5357880 1.7231742 -2.7806740 4 O -1.0923610 0.7743395 0.2379012 0.4072675 -3.4265894 -1.2776928 0.5357880 -1.7231742 -2.7806740 5 O -2.6798240 1.3383067 -1.0147676 1.0845655 -3.4056809 1.5120170 -0.7011874 1.5395557 -2.9294725 6 O -2.6798240 -1.3383067 -1.0147676 -1.0845655 -3.4056809 -1.5120170 -0.7011874 -1.5395557 -2.9294725 7 O -2.6798240 1.3383067 -1.0147676 1.0845655 -3.4056809 1.5120170 -0.7011874 1.5395557 -2.9294725 8 O -2.6798240 -1.3383067 -1.0147676 -1.0845655 -3.4056809 -1.5120170 -0.7011874 -1.5395557 -2.9294725 9 O -1.8688254 1.5720679 -0.7896086 1.0585616 -3.3659240 1.0092554 -0.9904749 1.2672090 -2.1762403 10 O -1.8688254 -1.5720679 -0.7896086 -1.0585616 -3.3659240 -1.0092554 -0.9904749 -1.2672090 -2.1762403 11 O -1.8688254 1.5720679 -0.7896086 1.0585616 -3.3659240 1.0092554 -0.9904749 1.2672090 -2.1762403 12 O -1.8688254 -1.5720679 -0.7896086 -1.0585616 -3.3659240 -1.0092554 -0.9904749 -1.2672090 -2.1762403 13 O -1.4217910 -0.2634032 0.6000765 -0.4847742 -2.9761697 1.6979565 0.5509756 1.7205630 -2.9299598 14 O -1.4217910 0.2634032 0.6000765 0.4847742 -2.9761697 -1.6979565 0.5509756 -1.7205630 -2.9299598 15 O -1.4217910 -0.2634032 0.6000765 -0.4847742 -2.9761697 1.6979565 0.5509756 1.7205630 -2.9299598 16 O -1.4217910 0.2634032 0.6000765 0.4847742 -2.9761697 -1.6979565 0.5509756 -1.7205630 -2.9299598 17 O -2.9288538 0.7710955 0.4911802 0.3789287 -3.2267370 -0.1424434 0.2619004 -0.0824856 -1.3382731 18 O -2.9288538 -0.7710955 0.4911802 -0.3789287 -3.2267370 0.1424434 0.2619004 0.0824856 -1.3382731 19 O -2.9288538 0.7710955 0.4911802 0.3789287 -3.2267370 -0.1424434 0.2619004 -0.0824856 -1.3382731 20 O -2.9288538 -0.7710955 0.4911802 -0.3789287 -3.2267370 0.1424434 0.2619004 0.0824856 -1.3382731 21 O -3.9359199 -2.4114266 0.8413434 -2.1175502 -3.5395745 1.1554673 1.0181613 1.1559492 -2.3763787 22 O -3.9359199 2.4114266 0.8413434 2.1175502 -3.5395745 -1.1554673 1.0181613 -1.1559492 -2.3763787 23 O -3.9359199 -2.4114266 0.8413434 -2.1175502 -3.5395745 1.1554673 1.0181613 1.1559492 -2.3763787 24 O -3.9359199 2.4114266 0.8413434 2.1175502 -3.5395745 -1.1554673 1.0181613 -1.1559492 -2.3763787 25 O -2.9467955 0.0678083 0.2033091 0.1170427 -1.4870170 -0.4457322 0.2500997 -0.3504183 -3.0107231 26 O -2.9467955 -0.0678083 0.2033091 -0.1170427 -1.4870170 0.4457322 0.2500997 0.3504183 -3.0107231 27 O -2.9467955 0.0678083 0.2033091 0.1170427 -1.4870170 -0.4457322 0.2500997 -0.3504183 -3.0107231 28 O -2.9467955 -0.0678083 0.2033091 -0.1170427 -1.4870170 0.4457322 0.2500997 0.3504183 -3.0107231 29 O -2.4291006 -1.0091703 1.8280473 -0.4775695 -2.8459093 1.9900466 2.1485348 4.4064079 -8.9821408 30 O -2.4291006 1.0091703 1.8280473 0.4775695 -2.8459093 -1.9900466 2.1485348 -4.4064079 -8.9821408 31 O -2.6689790 -1.2404935 0.0927327 -0.0126644 -0.9986688 -0.0387935 0.1929738 0.2541908 -1.8045949 32 O -2.6689790 1.2404935 0.0927327 0.0126644 -0.9986688 0.0387935 0.1929738 -0.2541908 -1.8045949 33 O -2.6689790 -1.2404935 0.0927327 -0.0126644 -0.9986688 -0.0387935 0.1929738 0.2541908 -1.8045949 34 O -2.6689790 1.2404935 0.0927327 0.0126644 -0.9986688 0.0387935 0.1929738 -0.2541908 -1.8045949 35 O -4.8365671 0.1759320 -0.6310609 0.1995554 -1.1747517 -0.7965902 -0.5563123 -0.4571784 -1.6072881 36 O -4.8365671 -0.1759320 -0.6310609 -0.1995554 -1.1747517 0.7965902 -0.5563123 0.4571784 -1.6072881 37 O -3.4767164 0.6124073 1.3153870 1.1247285 -1.6635903 -0.4839376 0.7829053 0.1644707 -2.7857424 38 O -3.4767164 -0.6124073 1.3153870 -1.1247285 -1.6635903 0.4839376 0.7829053 -0.1644707 -2.7857424 39 O -3.4767164 0.6124073 1.3153870 1.1247285 -1.6635903 -0.4839376 0.7829053 0.1644707 -2.7857424 40 O -3.4767164 -0.6124073 1.3153870 -1.1247285 -1.6635903 0.4839376 0.7829053 -0.1644707 -2.7857424 41 O -2.5818145 -1.0532590 -1.9531626 -0.8695929 -1.6719262 -1.0966995 -0.7545439 -0.1333839 -3.7767187 42 O -2.5818145 1.0532590 -1.9531626 0.8695929 -1.6719262 1.0966995 -0.7545439 0.1333839 -3.7767187 43 O -2.5818145 -1.0532590 -1.9531626 -0.8695929 -1.6719262 -1.0966995 -0.7545439 -0.1333839 -3.7767187 44 O -2.5818145 1.0532590 -1.9531626 0.8695929 -1.6719262 1.0966995 -0.7545439 0.1333839 -3.7767187 45 O -2.3414884 -0.0939049 -0.1307512 0.0550150 -1.4503026 0.0556491 -0.4478795 0.0931860 -3.7769421 46 O -2.3414884 0.0939049 -0.1307512 -0.0550150 -1.4503026 -0.0556491 -0.4478795 -0.0931860 -3.7769421 47 O -2.3414884 -0.0939049 -0.1307512 0.0550150 -1.4503026 0.0556491 -0.4478795 0.0931860 -3.7769421 48 O -2.3414884 0.0939049 -0.1307512 -0.0550150 -1.4503026 -0.0556491 -0.4478795 -0.0931860 -3.7769421 49 Nb 3.0697174 0.3927404 -0.5607775 0.1046063 2.4031637 1.0233455 -0.3951964 0.5151601 3.2514228 50 Nb 3.0697174 -0.3927404 -0.5607775 -0.1046063 2.4031637 -1.0233455 -0.3951964 -0.5151601 3.2514228 51 Nb 3.0697174 0.3927404 -0.5607775 0.1046063 2.4031637 1.0233455 -0.3951964 0.5151601 3.2514228 52 Nb 3.0697174 -0.3927404 -0.5607775 -0.1046063 2.4031637 -1.0233455 -0.3951964 -0.5151601 3.2514228 53 Nb 4.1508533 0.5543606 0.3609310 0.1229643 2.6118681 -0.9813556 0.3224657 -0.3930403 2.0506345 54 Nb 4.1508533 -0.5543606 0.3609310 -0.1229643 2.6118681 0.9813556 0.3224657 0.3930403 2.0506345 55 Nb 4.1508533 0.5543606 0.3609310 0.1229643 2.6118681 -0.9813556 0.3224657 -0.3930403 2.0506345 56 Nb 4.1508533 -0.5543606 0.3609310 -0.1229643 2.6118681 0.9813556 0.3224657 0.3930403 2.0506345 57 Nb 2.5056061 0.5178115 0.1206971 0.5372278 2.1076120 0.3594875 -0.4166444 0.3331393 3.4053565 58 Nb 2.5056061 -0.5178115 0.1206971 -0.5372278 2.1076120 -0.3594875 -0.4166444 -0.3331393 3.4053565 59 Nb 2.5056061 0.5178115 0.1206971 0.5372278 2.1076120 0.3594875 -0.4166444 0.3331393 3.4053565 60 Nb 2.5056061 -0.5178115 0.1206971 -0.5372278 2.1076120 -0.3594875 -0.4166444 -0.3331393 3.4053565 61 Nb 1.1540022 0.2495150 0.3908091 0.9821215 2.6294394 -0.3071288 0.3120145 -0.5770165 2.2527051 62 Nb 1.1540022 -0.2495150 0.3908091 -0.9821215 2.6294394 0.3071288 0.3120145 0.5770165 2.2527051 63 Nb 1.1540022 0.2495150 0.3908091 0.9821215 2.6294394 -0.3071288 0.3120145 -0.5770165 2.2527051 64 Nb 1.1540022 -0.2495150 0.3908091 -0.9821215 2.6294394 0.3071288 0.3120145 0.5770165 2.2527051 65 Nb 3.7447914 -0.1602546 -0.3500805 -0.5467441 2.6120852 -0.0524681 -0.3120289 -0.1858747 3.4722805 66 Nb 3.7447914 0.1602546 -0.3500805 0.5467441 2.6120852 0.0524681 -0.3120289 0.1858747 3.4722805 67 Nb 3.7447914 -0.1602546 -0.3500805 -0.5467441 2.6120852 -0.0524681 -0.3120289 -0.1858747 3.4722805 68 Nb 3.7447914 0.1602546 -0.3500805 0.5467441 2.6120852 0.0524681 -0.3120289 0.1858747 3.4722805 69 Nb 3.1595650 0.0252018 -0.0047260 -0.2082480 3.2183838 -0.5967406 0.1630886 -0.4473912 2.3151114 70 Nb 3.1595650 -0.0252018 -0.0047260 0.2082480 3.2183838 0.5967406 0.1630886 0.4473912 2.3151114 71 Nb 3.1595650 0.0252018 -0.0047260 -0.2082480 3.2183838 -0.5967406 0.1630886 -0.4473912 2.3151114 72 Nb 3.1595650 -0.0252018 -0.0047260 0.2082480 3.2183838 0.5967406 0.1630886 0.4473912 2.3151114 73 Nb 10.0275270 0.3202005 -0.6100819 -0.7260056 7.2148538 2.6408265 -1.6046734 -0.2253865 13.0826376 74 Nb 10.0275270 -0.3202005 -0.6100819 0.7260056 7.2148538 -2.6408265 -1.6046734 0.2253865 13.0826376 75 Nb 10.0275270 0.3202005 -0.6100819 -0.7260056 7.2148538 2.6408265 -1.6046734 -0.2253865 13.0826376 76 Nb 10.0275270 -0.3202005 -0.6100819 0.7260056 7.2148538 -2.6408265 -1.6046734 0.2253865 13.0826376 77 La 3.7641403 -0.1265147 0.1610955 0.0476379 6.4251052 0.0415746 0.4361449 0.1221148 5.1502857 78 La 3.7641403 0.1265147 0.1610955 -0.0476379 6.4251052 -0.0415746 0.4361449 -0.1221148 5.1502857 79 La 3.7641403 -0.1265147 0.1610955 0.0476379 6.4251052 0.0415746 0.4361449 0.1221148 5.1502857 80 La 3.7641403 0.1265147 0.1610955 -0.0476379 6.4251052 -0.0415746 0.4361449 -0.1221148 5.1502857 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 31, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 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] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Computing fc3[ 77, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0025 0.0000 0.0097] [ 0.0025 0.0000 -0.0097] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 07:57:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 07:57:27]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.815164250005022 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200235570000000 0.000000000000000 c -2.574812380429313 0.000000000000000 10.036277170738600 Atomic positions (fractional): 1 O 0.71888180815655 0.22672051890742 0.07885500509656 15.999 2 O 0.28111819184345 0.72672051890742 0.42114499490344 15.999 3 O 0.28111819184345 0.77327948109258 0.92114499490344 15.999 4 O 0.71888180815655 0.27327948109258 0.57885500509656 15.999 5 O 0.15321802547729 0.26592635286381 0.45436816313809 15.999 6 O 0.84678197452271 0.76592635286381 0.04563183686191 15.999 7 O 0.84678197452271 0.73407364713619 0.54563183686191 15.999 8 O 0.15321802547729 0.23407364713619 0.95436816313809 15.999 9 O 0.58677530471533 0.27202774627679 0.31401712347497 15.999 10 O 0.41322469528467 0.77202774627679 0.18598287652503 15.999 11 O 0.41322469528467 0.72797225372321 0.68598287652503 15.999 12 O 0.58677530471533 0.22797225372321 0.81401712347497 15.999 13 O 0.29179997619567 0.22922455176126 0.21996637371698 15.999 14 O 0.70820002380433 0.72922455176126 0.28003362628302 15.999 15 O 0.70820002380433 0.77077544823874 0.78003362628302 15.999 16 O 0.29179997619567 0.27077544823874 0.71996637371698 15.999 17 O 0.42435083753158 0.25424936607691 0.51903961910013 15.999 18 O 0.57564916246842 0.75424936607691 0.98096038089987 15.999 19 O 0.57564916246842 0.74575063392309 0.48096038089987 15.999 20 O 0.42435083753158 0.24575063392309 0.01903961910013 15.999 21 O 0.13792375906409 0.74073018901984 0.62199299233407 15.999 22 O 0.86207624093591 0.24073018901984 0.87800700766593 15.999 23 O 0.86207624093591 0.25926981098016 0.37800700766593 15.999 24 O 0.13792375906409 0.75926981098016 0.12199299233407 15.999 25 O 0.00421476959363 0.23665118794261 0.68210497552937 15.999 26 O 0.99578523040637 0.73665118794261 0.81789502447063 15.999 27 O 0.99578523040637 0.76334881205739 0.31789502447063 15.999 28 O 0.00421476959363 0.26334881205739 0.18210497552937 15.999 29 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 30 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 31 O 0.56998922589515 0.00063852857860 0.63992692272204 15.999 32 O 0.43001077410485 0.50063852857860 0.86007307727796 15.999 33 O 0.43001077410485 0.99936147142140 0.36007307727796 15.999 34 O 0.56998922589515 0.49936147142140 0.13992692272204 15.999 35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 36 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 37 O 0.15193175400558 0.00790797364904 0.79302977566644 15.999 38 O 0.84806824599442 0.50790797364904 0.70697022433356 15.999 39 O 0.84806824599442 0.99209202635096 0.20697022433356 15.999 40 O 0.15193175400558 0.49209202635096 0.29302977566644 15.999 41 O 0.86157293981061 0.00310200175564 0.71494298143416 15.999 42 O 0.13842706018939 0.50310200175564 0.78505701856584 15.999 43 O 0.13842706018939 0.99689799824436 0.28505701856584 15.999 44 O 0.86157293981061 0.49689799824436 0.21494298143416 15.999 45 O 0.43023626529657 0.99829459175375 0.85736756682866 15.999 46 O 0.56976373470343 0.49829459175375 0.64263243317134 15.999 47 O 0.56976373470343 0.00170540824625 0.14263243317134 15.999 48 O 0.43023626529657 0.50170540824625 0.35736756682866 15.999 49 Nb 0.42037679703000 0.11992905030354 0.68482795093037 92.906 50 Nb 0.57962320297000 0.61992905030354 0.81517204906963 92.906 51 Nb 0.57962320297000 0.88007094969646 0.31517204906963 92.906 52 Nb 0.42037679703000 0.38007094969646 0.18482795093037 92.906 53 Nb 0.28080183582711 0.11687781512823 0.40686300771594 92.906 54 Nb 0.71919816417289 0.61687781512823 0.09313699228406 92.906 55 Nb 0.71919816417289 0.88312218487177 0.59313699228406 92.906 56 Nb 0.28080183582711 0.38312218487177 0.90686300771594 92.906 57 Nb 0.15474434897652 0.12687011798314 0.61736592333456 92.906 58 Nb 0.84525565102348 0.62687011798314 0.88263407666544 92.906 59 Nb 0.84525565102348 0.87312988201686 0.38263407666544 92.906 60 Nb 0.15474434897652 0.37312988201686 0.11736592333456 92.906 61 Nb 0.58689176462254 0.13457835902776 0.46895142300987 92.906 62 Nb 0.41310823537746 0.63457835902776 0.03104857699013 92.906 63 Nb 0.41310823537746 0.86542164097224 0.53104857699013 92.906 64 Nb 0.58689176462254 0.36542164097224 0.96895142300987 92.906 65 Nb 0.14868742835727 0.87182898890744 0.46073179364480 92.906 66 Nb 0.85131257164273 0.37182898890744 0.03926820635520 92.906 67 Nb 0.85131257164273 0.12817101109256 0.53926820635520 92.906 68 Nb 0.14868742835727 0.62817101109256 0.96073179364480 92.906 69 Nb 0.71695507296586 0.12364266109873 0.26787173924251 92.906 70 Nb 0.28304492703415 0.62364266109873 0.23212826075749 92.906 71 Nb 0.28304492703415 0.87635733890127 0.73212826075749 92.906 72 Nb 0.71695507296586 0.37635733890127 0.76787173924251 92.906 73 Nb 0.00063824071050 0.11361149229093 0.83894754701160 92.906 74 Nb 0.99936175928950 0.61361149229093 0.66105245298840 92.906 75 Nb 0.99936175928950 0.88638850770907 0.16105245298841 92.906 76 Nb 0.00063824071050 0.38638850770907 0.33894754701160 92.906 77 La 0.33515690851803 0.48432565168148 0.54905367983073 138.905 78 La 0.66484309148197 0.98432565168148 0.95094632016927 138.905 79 La 0.66484309148197 0.51567434831852 0.45094632016927 138.905 80 La 0.33515690851803 0.01567434831852 0.04905367983073 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.815164250005022 0.000000000000000 0.000000000000000 b 0.000000000000000 9.200235570000000 0.000000000000000 c -2.574812380429313 0.000000000000000 10.036277170738600 Atomic positions (fractional): 1 O 0.71888180815655 0.22672051890742 0.07885500509656 15.999 > 1 2 O 0.28111819184345 0.72672051890742 0.42114499490344 15.999 > 2 3 O 0.28111819184345 0.77327948109258 0.92114499490344 15.999 > 3 4 O 0.71888180815655 0.27327948109258 0.57885500509656 15.999 > 4 5 O 0.15321802547729 0.26592635286381 0.45436816313809 15.999 > 5 6 O 0.84678197452271 0.76592635286381 0.04563183686191 15.999 > 6 7 O 0.84678197452271 0.73407364713619 0.54563183686191 15.999 > 7 8 O 0.15321802547729 0.23407364713619 0.95436816313809 15.999 > 8 9 O 0.58677530471533 0.27202774627679 0.31401712347497 15.999 > 9 10 O 0.41322469528467 0.77202774627679 0.18598287652503 15.999 > 10 11 O 0.41322469528467 0.72797225372321 0.68598287652503 15.999 > 11 12 O 0.58677530471533 0.22797225372321 0.81401712347497 15.999 > 12 13 O 0.29179997619567 0.22922455176126 0.21996637371698 15.999 > 13 14 O 0.70820002380433 0.72922455176126 0.28003362628302 15.999 > 14 15 O 0.70820002380433 0.77077544823874 0.78003362628302 15.999 > 15 16 O 0.29179997619567 0.27077544823874 0.71996637371698 15.999 > 16 17 O 0.42435083753158 0.25424936607691 0.51903961910013 15.999 > 17 18 O 0.57564916246842 0.75424936607691 0.98096038089987 15.999 > 18 19 O 0.57564916246842 0.74575063392309 0.48096038089987 15.999 > 19 20 O 0.42435083753158 0.24575063392309 0.01903961910013 15.999 > 20 21 O 0.13792375906409 0.74073018901984 0.62199299233407 15.999 > 21 22 O 0.86207624093591 0.24073018901984 0.87800700766593 15.999 > 22 23 O 0.86207624093591 0.25926981098016 0.37800700766593 15.999 > 23 24 O 0.13792375906409 0.75926981098016 0.12199299233407 15.999 > 24 25 O 0.00421476959363 0.23665118794261 0.68210497552937 15.999 > 25 26 O 0.99578523040637 0.73665118794261 0.81789502447063 15.999 > 26 27 O 0.99578523040637 0.76334881205739 0.31789502447063 15.999 > 27 28 O 0.00421476959363 0.26334881205739 0.18210497552937 15.999 > 28 29 O 0.00000000000000 0.00000000000000 0.00000000000000 15.999 > 29 30 O 0.00000000000000 0.50000000000000 0.50000000000000 15.999 > 30 31 O 0.56998922589515 0.00063852857860 0.63992692272204 15.999 > 31 32 O 0.43001077410485 0.50063852857860 0.86007307727796 15.999 > 32 33 O 0.43001077410485 0.99936147142140 0.36007307727796 15.999 > 33 34 O 0.56998922589515 0.49936147142140 0.13992692272204 15.999 > 34 35 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 35 36 O 0.00000000000000 0.50000000000000 0.00000000000000 15.999 > 36 37 O 0.15193175400558 0.00790797364904 0.79302977566644 15.999 > 37 38 O 0.84806824599442 0.50790797364904 0.70697022433356 15.999 > 38 39 O 0.84806824599442 0.99209202635096 0.20697022433356 15.999 > 39 40 O 0.15193175400558 0.49209202635096 0.29302977566644 15.999 > 40 41 O 0.86157293981061 0.00310200175564 0.71494298143416 15.999 > 41 42 O 0.13842706018939 0.50310200175564 0.78505701856584 15.999 > 42 43 O 0.13842706018939 0.99689799824436 0.28505701856584 15.999 > 43 44 O 0.86157293981061 0.49689799824436 0.21494298143416 15.999 > 44 45 O 0.43023626529657 0.99829459175375 0.85736756682866 15.999 > 45 46 O 0.56976373470343 0.49829459175375 0.64263243317134 15.999 > 46 47 O 0.56976373470343 0.00170540824625 0.14263243317134 15.999 > 47 48 O 0.43023626529657 0.50170540824625 0.35736756682866 15.999 > 48 49 Nb 0.42037679703000 0.11992905030354 0.68482795093037 92.906 > 49 50 Nb 0.57962320297000 0.61992905030354 0.81517204906963 92.906 > 50 51 Nb 0.57962320297000 0.88007094969646 0.31517204906963 92.906 > 51 52 Nb 0.42037679703000 0.38007094969646 0.18482795093037 92.906 > 52 53 Nb 0.28080183582711 0.11687781512823 0.40686300771594 92.906 > 53 54 Nb 0.71919816417289 0.61687781512823 0.09313699228406 92.906 > 54 55 Nb 0.71919816417289 0.88312218487177 0.59313699228406 92.906 > 55 56 Nb 0.28080183582711 0.38312218487177 0.90686300771594 92.906 > 56 57 Nb 0.15474434897652 0.12687011798314 0.61736592333456 92.906 > 57 58 Nb 0.84525565102348 0.62687011798314 0.88263407666544 92.906 > 58 59 Nb 0.84525565102348 0.87312988201686 0.38263407666544 92.906 > 59 60 Nb 0.15474434897652 0.37312988201686 0.11736592333456 92.906 > 60 61 Nb 0.58689176462254 0.13457835902776 0.46895142300987 92.906 > 61 62 Nb 0.41310823537746 0.63457835902776 0.03104857699013 92.906 > 62 63 Nb 0.41310823537746 0.86542164097224 0.53104857699013 92.906 > 63 64 Nb 0.58689176462254 0.36542164097224 0.96895142300987 92.906 > 64 65 Nb 0.14868742835727 0.87182898890744 0.46073179364480 92.906 > 65 66 Nb 0.85131257164273 0.37182898890744 0.03926820635520 92.906 > 66 67 Nb 0.85131257164273 0.12817101109256 0.53926820635520 92.906 > 67 68 Nb 0.14868742835727 0.62817101109256 0.96073179364480 92.906 > 68 69 Nb 0.71695507296586 0.12364266109873 0.26787173924251 92.906 > 69 70 Nb 0.28304492703415 0.62364266109873 0.23212826075749 92.906 > 70 71 Nb 0.28304492703415 0.87635733890127 0.73212826075749 92.906 > 71 72 Nb 0.71695507296586 0.37635733890127 0.76787173924251 92.906 > 72 73 Nb 0.00063824071050 0.11361149229093 0.83894754701160 92.906 > 73 74 Nb 0.99936175928950 0.61361149229093 0.66105245298840 92.906 > 74 75 Nb 0.99936175928950 0.88638850770907 0.16105245298841 92.906 > 75 76 Nb 0.00063824071050 0.38638850770907 0.33894754701160 92.906 > 76 77 La 0.33515690851803 0.48432565168148 0.54905367983073 138.905 > 77 78 La 0.66484309148197 0.98432565168148 0.95094632016927 138.905 > 78 79 La 0.66484309148197 0.51567434831852 0.45094632016927 138.905 > 79 80 La 0.33515690851803 0.01567434831852 0.04905367983073 138.905 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 15.4318656 0.0000000 -0.7919307 0.0000000 10.1977655 0.0000000 -0.7920264 0.0000000 13.5475912 -------------------------- Born effective charges -------------------------- 1 O -1.0923610 -0.7743395 0.2379012 -0.4072675 -3.4265894 1.2776928 0.5357880 1.7231742 -2.7806740 2 O -1.0923610 0.7743395 0.2379012 0.4072675 -3.4265894 -1.2776928 0.5357880 -1.7231742 -2.7806740 3 O -1.0923610 -0.7743395 0.2379012 -0.4072675 -3.4265894 1.2776928 0.5357880 1.7231742 -2.7806740 4 O -1.0923610 0.7743395 0.2379012 0.4072675 -3.4265894 -1.2776928 0.5357880 -1.7231742 -2.7806740 5 O -2.6798240 1.3383067 -1.0147676 1.0845655 -3.4056809 1.5120170 -0.7011874 1.5395557 -2.9294725 6 O -2.6798240 -1.3383067 -1.0147676 -1.0845655 -3.4056809 -1.5120170 -0.7011874 -1.5395557 -2.9294725 7 O -2.6798240 1.3383067 -1.0147676 1.0845655 -3.4056809 1.5120170 -0.7011874 1.5395557 -2.9294725 8 O -2.6798240 -1.3383067 -1.0147676 -1.0845655 -3.4056809 -1.5120170 -0.7011874 -1.5395557 -2.9294725 9 O -1.8688254 1.5720679 -0.7896086 1.0585616 -3.3659240 1.0092554 -0.9904749 1.2672090 -2.1762403 10 O -1.8688254 -1.5720679 -0.7896086 -1.0585616 -3.3659240 -1.0092554 -0.9904749 -1.2672090 -2.1762403 11 O -1.8688254 1.5720679 -0.7896086 1.0585616 -3.3659240 1.0092554 -0.9904749 1.2672090 -2.1762403 12 O -1.8688254 -1.5720679 -0.7896086 -1.0585616 -3.3659240 -1.0092554 -0.9904749 -1.2672090 -2.1762403 13 O -1.4217910 -0.2634032 0.6000765 -0.4847742 -2.9761697 1.6979565 0.5509756 1.7205630 -2.9299598 14 O -1.4217910 0.2634032 0.6000765 0.4847742 -2.9761697 -1.6979565 0.5509756 -1.7205630 -2.9299598 15 O -1.4217910 -0.2634032 0.6000765 -0.4847742 -2.9761697 1.6979565 0.5509756 1.7205630 -2.9299598 16 O -1.4217910 0.2634032 0.6000765 0.4847742 -2.9761697 -1.6979565 0.5509756 -1.7205630 -2.9299598 17 O -2.9288538 0.7710955 0.4911802 0.3789287 -3.2267370 -0.1424434 0.2619004 -0.0824856 -1.3382731 18 O -2.9288538 -0.7710955 0.4911802 -0.3789287 -3.2267370 0.1424434 0.2619004 0.0824856 -1.3382731 19 O -2.9288538 0.7710955 0.4911802 0.3789287 -3.2267370 -0.1424434 0.2619004 -0.0824856 -1.3382731 20 O -2.9288538 -0.7710955 0.4911802 -0.3789287 -3.2267370 0.1424434 0.2619004 0.0824856 -1.3382731 21 O -3.9359199 -2.4114266 0.8413434 -2.1175502 -3.5395745 1.1554673 1.0181613 1.1559492 -2.3763787 22 O -3.9359199 2.4114266 0.8413434 2.1175502 -3.5395745 -1.1554673 1.0181613 -1.1559492 -2.3763787 23 O -3.9359199 -2.4114266 0.8413434 -2.1175502 -3.5395745 1.1554673 1.0181613 1.1559492 -2.3763787 24 O -3.9359199 2.4114266 0.8413434 2.1175502 -3.5395745 -1.1554673 1.0181613 -1.1559492 -2.3763787 25 O -2.9467955 0.0678083 0.2033091 0.1170427 -1.4870170 -0.4457322 0.2500997 -0.3504183 -3.0107231 26 O -2.9467955 -0.0678083 0.2033091 -0.1170427 -1.4870170 0.4457322 0.2500997 0.3504183 -3.0107231 27 O -2.9467955 0.0678083 0.2033091 0.1170427 -1.4870170 -0.4457322 0.2500997 -0.3504183 -3.0107231 28 O -2.9467955 -0.0678083 0.2033091 -0.1170427 -1.4870170 0.4457322 0.2500997 0.3504183 -3.0107231 29 O -2.4291006 -1.0091703 1.8280473 -0.4775695 -2.8459093 1.9900466 2.1485348 4.4064079 -8.9821408 30 O -2.4291006 1.0091703 1.8280473 0.4775695 -2.8459093 -1.9900466 2.1485348 -4.4064079 -8.9821408 31 O -2.6689790 -1.2404935 0.0927327 -0.0126644 -0.9986688 -0.0387935 0.1929738 0.2541908 -1.8045949 32 O -2.6689790 1.2404935 0.0927327 0.0126644 -0.9986688 0.0387935 0.1929738 -0.2541908 -1.8045949 33 O -2.6689790 -1.2404935 0.0927327 -0.0126644 -0.9986688 -0.0387935 0.1929738 0.2541908 -1.8045949 34 O -2.6689790 1.2404935 0.0927327 0.0126644 -0.9986688 0.0387935 0.1929738 -0.2541908 -1.8045949 35 O -4.8365671 0.1759320 -0.6310609 0.1995554 -1.1747517 -0.7965902 -0.5563123 -0.4571784 -1.6072881 36 O -4.8365671 -0.1759320 -0.6310609 -0.1995554 -1.1747517 0.7965902 -0.5563123 0.4571784 -1.6072881 37 O -3.4767164 0.6124073 1.3153870 1.1247285 -1.6635903 -0.4839376 0.7829053 0.1644707 -2.7857424 38 O -3.4767164 -0.6124073 1.3153870 -1.1247285 -1.6635903 0.4839376 0.7829053 -0.1644707 -2.7857424 39 O -3.4767164 0.6124073 1.3153870 1.1247285 -1.6635903 -0.4839376 0.7829053 0.1644707 -2.7857424 40 O -3.4767164 -0.6124073 1.3153870 -1.1247285 -1.6635903 0.4839376 0.7829053 -0.1644707 -2.7857424 41 O -2.5818145 -1.0532590 -1.9531626 -0.8695929 -1.6719262 -1.0966995 -0.7545439 -0.1333839 -3.7767187 42 O -2.5818145 1.0532590 -1.9531626 0.8695929 -1.6719262 1.0966995 -0.7545439 0.1333839 -3.7767187 43 O -2.5818145 -1.0532590 -1.9531626 -0.8695929 -1.6719262 -1.0966995 -0.7545439 -0.1333839 -3.7767187 44 O -2.5818145 1.0532590 -1.9531626 0.8695929 -1.6719262 1.0966995 -0.7545439 0.1333839 -3.7767187 45 O -2.3414884 -0.0939049 -0.1307512 0.0550150 -1.4503026 0.0556491 -0.4478795 0.0931860 -3.7769421 46 O -2.3414884 0.0939049 -0.1307512 -0.0550150 -1.4503026 -0.0556491 -0.4478795 -0.0931860 -3.7769421 47 O -2.3414884 -0.0939049 -0.1307512 0.0550150 -1.4503026 0.0556491 -0.4478795 0.0931860 -3.7769421 48 O -2.3414884 0.0939049 -0.1307512 -0.0550150 -1.4503026 -0.0556491 -0.4478795 -0.0931860 -3.7769421 49 Nb 3.0697174 0.3927404 -0.5607775 0.1046063 2.4031637 1.0233455 -0.3951964 0.5151601 3.2514228 50 Nb 3.0697174 -0.3927404 -0.5607775 -0.1046063 2.4031637 -1.0233455 -0.3951964 -0.5151601 3.2514228 51 Nb 3.0697174 0.3927404 -0.5607775 0.1046063 2.4031637 1.0233455 -0.3951964 0.5151601 3.2514228 52 Nb 3.0697174 -0.3927404 -0.5607775 -0.1046063 2.4031637 -1.0233455 -0.3951964 -0.5151601 3.2514228 53 Nb 4.1508533 0.5543606 0.3609310 0.1229643 2.6118681 -0.9813556 0.3224657 -0.3930403 2.0506345 54 Nb 4.1508533 -0.5543606 0.3609310 -0.1229643 2.6118681 0.9813556 0.3224657 0.3930403 2.0506345 55 Nb 4.1508533 0.5543606 0.3609310 0.1229643 2.6118681 -0.9813556 0.3224657 -0.3930403 2.0506345 56 Nb 4.1508533 -0.5543606 0.3609310 -0.1229643 2.6118681 0.9813556 0.3224657 0.3930403 2.0506345 57 Nb 2.5056061 0.5178115 0.1206971 0.5372278 2.1076120 0.3594875 -0.4166444 0.3331393 3.4053565 58 Nb 2.5056061 -0.5178115 0.1206971 -0.5372278 2.1076120 -0.3594875 -0.4166444 -0.3331393 3.4053565 59 Nb 2.5056061 0.5178115 0.1206971 0.5372278 2.1076120 0.3594875 -0.4166444 0.3331393 3.4053565 60 Nb 2.5056061 -0.5178115 0.1206971 -0.5372278 2.1076120 -0.3594875 -0.4166444 -0.3331393 3.4053565 61 Nb 1.1540022 0.2495150 0.3908091 0.9821215 2.6294394 -0.3071288 0.3120145 -0.5770165 2.2527051 62 Nb 1.1540022 -0.2495150 0.3908091 -0.9821215 2.6294394 0.3071288 0.3120145 0.5770165 2.2527051 63 Nb 1.1540022 0.2495150 0.3908091 0.9821215 2.6294394 -0.3071288 0.3120145 -0.5770165 2.2527051 64 Nb 1.1540022 -0.2495150 0.3908091 -0.9821215 2.6294394 0.3071288 0.3120145 0.5770165 2.2527051 65 Nb 3.7447914 -0.1602546 -0.3500805 -0.5467441 2.6120852 -0.0524681 -0.3120289 -0.1858747 3.4722805 66 Nb 3.7447914 0.1602546 -0.3500805 0.5467441 2.6120852 0.0524681 -0.3120289 0.1858747 3.4722805 67 Nb 3.7447914 -0.1602546 -0.3500805 -0.5467441 2.6120852 -0.0524681 -0.3120289 -0.1858747 3.4722805 68 Nb 3.7447914 0.1602546 -0.3500805 0.5467441 2.6120852 0.0524681 -0.3120289 0.1858747 3.4722805 69 Nb 3.1595650 0.0252018 -0.0047260 -0.2082480 3.2183838 -0.5967406 0.1630886 -0.4473912 2.3151114 70 Nb 3.1595650 -0.0252018 -0.0047260 0.2082480 3.2183838 0.5967406 0.1630886 0.4473912 2.3151114 71 Nb 3.1595650 0.0252018 -0.0047260 -0.2082480 3.2183838 -0.5967406 0.1630886 -0.4473912 2.3151114 72 Nb 3.1595650 -0.0252018 -0.0047260 0.2082480 3.2183838 0.5967406 0.1630886 0.4473912 2.3151114 73 Nb 10.0275270 0.3202005 -0.6100819 -0.7260056 7.2148538 2.6408265 -1.6046734 -0.2253865 13.0826376 74 Nb 10.0275270 -0.3202005 -0.6100819 0.7260056 7.2148538 -2.6408265 -1.6046734 0.2253865 13.0826376 75 Nb 10.0275270 0.3202005 -0.6100819 -0.7260056 7.2148538 2.6408265 -1.6046734 -0.2253865 13.0826376 76 Nb 10.0275270 -0.3202005 -0.6100819 0.7260056 7.2148538 -2.6408265 -1.6046734 0.2253865 13.0826376 77 La 3.7641403 -0.1265147 0.1610955 0.0476379 6.4251052 0.0415746 0.4361449 0.1221148 5.1502857 78 La 3.7641403 0.1265147 0.1610955 -0.0476379 6.4251052 -0.0415746 0.4361449 -0.1221148 5.1502857 79 La 3.7641403 -0.1265147 0.1610955 0.0476379 6.4251052 0.0415746 0.4361449 0.1221148 5.1502857 80 La 3.7641403 0.1265147 0.1610955 -0.0476379 6.4251052 -0.0415746 0.4361449 -0.1221148 5.1502857 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 5 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.42, Number of G-points: 305, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/39) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 1.780 ( 0.000 0.000 0.000) 0.000 1.857 ( 0.000 0.000 0.000) 0.000 2.069 ( 0.000 0.000 0.000) 0.000 2.073 ( 0.000 0.000 0.000) 0.000 2.410 ( 0.000 0.000 0.000) 0.000 2.501 ( 0.000 0.000 0.000) 0.000 2.632 ( 0.000 0.000 0.000) 0.000 2.658 ( 0.000 0.000 0.000) 0.000 2.683 ( 0.000 0.000 0.000) 0.000 2.710 ( 0.000 0.000 0.000) 0.000 2.946 ( 0.000 0.000 0.000) 0.000 3.254 ( 0.000 0.000 0.000) 0.000 3.300 ( 0.000 0.000 0.000) 0.000 3.315 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.394 ( 0.000 0.000 0.000) 0.000 3.497 ( 0.000 0.000 0.000) 0.000 3.571 ( 0.000 0.000 0.000) 0.000 3.746 ( 0.000 0.000 0.000) 0.000 3.772 ( 0.000 0.000 0.000) 0.000 3.780 ( 0.000 0.000 0.000) 0.000 3.916 ( 0.000 0.000 0.000) 0.000 3.917 ( 0.000 0.000 0.000) 0.000 3.951 ( 0.000 0.000 0.000) 0.000 3.989 ( 0.000 0.000 0.000) 0.000 3.997 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.188 ( 0.000 0.000 0.000) 0.000 4.193 ( 0.000 0.000 0.000) 0.000 4.197 ( 0.000 0.000 0.000) 0.000 4.211 ( 0.000 0.000 0.000) 0.000 4.389 ( 0.000 0.000 0.000) 0.000 4.492 ( 0.000 0.000 0.000) 0.000 4.493 ( 0.000 0.000 0.000) 0.000 4.751 ( 0.000 0.000 0.000) 0.000 4.942 ( 0.000 0.000 0.000) 0.000 5.083 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.226 ( 0.000 0.000 0.000) 0.000 5.266 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.430 ( 0.000 0.000 0.000) 0.000 5.561 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.783 ( 0.000 0.000 0.000) 0.000 5.883 ( 0.000 0.000 0.000) 0.000 5.899 ( 0.000 0.000 0.000) 0.000 5.938 ( 0.000 0.000 0.000) 0.000 5.941 ( 0.000 0.000 0.000) 0.000 6.083 ( 0.000 0.000 0.000) 0.000 6.084 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.185 ( 0.000 0.000 0.000) 0.000 6.245 ( 0.000 0.000 0.000) 0.000 6.340 ( 0.000 0.000 0.000) 0.000 6.464 ( 0.000 0.000 0.000) 0.000 6.521 ( 0.000 0.000 0.000) 0.000 6.528 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 0.000) 0.000 6.602 ( 0.000 0.000 0.000) 0.000 6.634 ( 0.000 0.000 0.000) 0.000 6.647 ( 0.000 0.000 0.000) 0.000 6.720 ( 0.000 0.000 0.000) 0.000 6.729 ( 0.000 0.000 0.000) 0.000 6.811 ( 0.000 0.000 0.000) 0.000 6.887 ( 0.000 0.000 0.000) 0.000 6.968 ( 0.000 0.000 0.000) 0.000 7.011 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.056 ( 0.000 0.000 0.000) 0.000 7.075 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.160 ( 0.000 0.000 0.000) 0.000 7.306 ( 0.000 0.000 0.000) 0.000 7.307 ( 0.000 0.000 0.000) 0.000 7.367 ( 0.000 0.000 0.000) 0.000 7.382 ( 0.000 0.000 0.000) 0.000 7.517 ( 0.000 0.000 0.000) 0.000 7.568 ( 0.000 0.000 0.000) 0.000 7.588 ( 0.000 0.000 0.000) 0.000 7.693 ( 0.000 0.000 0.000) 0.000 7.697 ( 0.000 0.000 0.000) 0.000 7.776 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.987 ( 0.000 0.000 0.000) 0.000 8.016 ( 0.000 0.000 0.000) 0.000 8.048 ( 0.000 0.000 0.000) 0.000 8.080 ( 0.000 0.000 0.000) 0.000 8.099 ( 0.000 0.000 0.000) 0.000 8.159 ( 0.000 0.000 0.000) 0.000 8.250 ( 0.000 0.000 0.000) 0.000 8.278 ( 0.000 0.000 0.000) 0.000 8.287 ( 0.000 0.000 0.000) 0.000 8.325 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.544 ( 0.000 0.000 0.000) 0.000 8.662 ( 0.000 0.000 0.000) 0.000 8.689 ( 0.000 0.000 0.000) 0.000 8.718 ( 0.000 0.000 0.000) 0.000 8.833 ( 0.000 0.000 0.000) 0.000 8.852 ( 0.000 0.000 0.000) 0.000 8.872 ( 0.000 0.000 0.000) 0.000 8.905 ( 0.000 0.000 0.000) 0.000 8.916 ( 0.000 0.000 0.000) 0.000 8.924 ( 0.000 0.000 0.000) 0.000 9.011 ( 0.000 0.000 0.000) 0.000 9.141 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.232 ( 0.000 0.000 0.000) 0.000 9.252 ( 0.000 0.000 0.000) 0.000 9.285 ( 0.000 0.000 0.000) 0.000 9.324 ( 0.000 0.000 0.000) 0.000 9.397 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.534 ( 0.000 0.000 0.000) 0.000 9.660 ( 0.000 0.000 0.000) 0.000 9.731 ( 0.000 0.000 0.000) 0.000 9.799 ( 0.000 0.000 0.000) 0.000 9.899 ( 0.000 0.000 0.000) 0.000 10.029 ( 0.000 0.000 0.000) 0.000 10.093 ( 0.000 0.000 0.000) 0.000 10.120 ( 0.000 0.000 0.000) 0.000 10.226 ( 0.000 0.000 0.000) 0.000 10.551 ( 0.000 0.000 0.000) 0.000 10.571 ( 0.000 0.000 0.000) 0.000 10.617 ( 0.000 0.000 0.000) 0.000 10.983 ( 0.000 0.000 0.000) 0.000 11.099 ( 0.000 0.000 0.000) 0.000 11.237 ( 0.000 0.000 0.000) 0.000 11.338 ( 0.000 0.000 0.000) 0.000 11.405 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.760 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.855 ( 0.000 0.000 0.000) 0.000 11.962 ( 0.000 0.000 0.000) 0.000 12.034 ( 0.000 0.000 0.000) 0.000 12.189 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.247 ( 0.000 0.000 0.000) 0.000 12.251 ( 0.000 0.000 0.000) 0.000 12.296 ( 0.000 0.000 0.000) 0.000 12.348 ( 0.000 0.000 0.000) 0.000 12.424 ( 0.000 0.000 0.000) 0.000 12.469 ( 0.000 0.000 0.000) 0.000 12.530 ( 0.000 0.000 0.000) 0.000 12.561 ( 0.000 0.000 0.000) 0.000 12.586 ( 0.000 0.000 0.000) 0.000 12.678 ( 0.000 0.000 0.000) 0.000 12.711 ( 0.000 0.000 0.000) 0.000 12.798 ( 0.000 0.000 0.000) 0.000 12.908 ( 0.000 0.000 0.000) 0.000 12.923 ( 0.000 0.000 0.000) 0.000 13.006 ( 0.000 0.000 0.000) 0.000 13.053 ( 0.000 0.000 0.000) 0.000 13.072 ( 0.000 0.000 0.000) 0.000 13.121 ( 0.000 0.000 0.000) 0.000 13.138 ( 0.000 0.000 0.000) 0.000 13.172 ( 0.000 0.000 0.000) 0.000 13.231 ( 0.000 0.000 0.000) 0.000 13.268 ( 0.000 0.000 0.000) 0.000 13.339 ( 0.000 0.000 0.000) 0.000 13.571 ( 0.000 0.000 0.000) 0.000 13.597 ( 0.000 0.000 0.000) 0.000 13.695 ( 0.000 0.000 0.000) 0.000 13.717 ( 0.000 0.000 0.000) 0.000 13.777 ( 0.000 0.000 0.000) 0.000 13.837 ( 0.000 0.000 0.000) 0.000 13.888 ( 0.000 0.000 0.000) 0.000 13.929 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 13.977 ( 0.000 0.000 0.000) 0.000 14.067 ( 0.000 0.000 0.000) 0.000 14.096 ( 0.000 0.000 0.000) 0.000 14.148 ( 0.000 0.000 0.000) 0.000 14.279 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 0.000 0.000) 0.000 14.386 ( 0.000 0.000 0.000) 0.000 14.455 ( 0.000 0.000 0.000) 0.000 14.523 ( 0.000 0.000 0.000) 0.000 14.630 ( 0.000 0.000 0.000) 0.000 14.768 ( 0.000 0.000 0.000) 0.000 14.809 ( 0.000 0.000 0.000) 0.000 14.852 ( 0.000 0.000 0.000) 0.000 15.051 ( 0.000 0.000 0.000) 0.000 15.118 ( 0.000 0.000 0.000) 0.000 15.202 ( 0.000 0.000 0.000) 0.000 15.463 ( 0.000 0.000 0.000) 0.000 15.512 ( 0.000 0.000 0.000) 0.000 15.652 ( 0.000 0.000 0.000) 0.000 15.677 ( 0.000 0.000 0.000) 0.000 15.790 ( 0.000 0.000 0.000) 0.000 16.026 ( 0.000 0.000 0.000) 0.000 16.384 ( 0.000 0.000 0.000) 0.000 16.479 ( 0.000 0.000 0.000) 0.000 16.500 ( 0.000 0.000 0.000) 0.000 16.547 ( 0.000 0.000 0.000) 0.000 16.730 ( 0.000 0.000 0.000) 0.000 16.858 ( 0.000 0.000 0.000) 0.000 16.934 ( 0.000 0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.215 ( 0.000 0.000 0.000) 0.000 17.280 ( 0.000 0.000 0.000) 0.000 17.368 ( 0.000 0.000 0.000) 0.000 17.424 ( 0.000 0.000 0.000) 0.000 17.615 ( 0.000 0.000 0.000) 0.000 17.642 ( 0.000 0.000 0.000) 0.000 17.651 ( 0.000 0.000 0.000) 0.000 17.682 ( 0.000 0.000 0.000) 0.000 17.700 ( 0.000 0.000 0.000) 0.000 17.876 ( 0.000 0.000 0.000) 0.000 18.067 ( 0.000 0.000 0.000) 0.000 18.122 ( 0.000 0.000 0.000) 0.000 18.216 ( 0.000 0.000 0.000) 0.000 18.231 ( 0.000 0.000 0.000) 0.000 18.358 ( 0.000 0.000 0.000) 0.000 18.459 ( 0.000 0.000 0.000) 0.000 18.541 ( 0.000 0.000 0.000) 0.000 18.659 ( 0.000 0.000 0.000) 0.000 18.830 ( 0.000 0.000 0.000) 0.000 18.924 ( 0.000 0.000 0.000) 0.000 18.926 ( 0.000 0.000 0.000) 0.000 19.072 ( 0.000 0.000 0.000) 0.000 19.149 ( 0.000 0.000 0.000) 0.000 19.258 ( 0.000 0.000 0.000) 0.000 20.100 ( 0.000 0.000 0.000) 0.000 20.404 ( 0.000 0.000 0.000) 0.000 20.703 ( 0.000 0.000 0.000) 0.000 21.318 ( 0.000 0.000 0.000) 0.000 21.577 ( 0.000 0.000 0.000) 0.000 22.490 ( 0.000 0.000 0.000) 0.000 22.507 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/39) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.706 ( 34.060 0.000 12.764) 36.373 0.742 ( 34.486 0.000 17.334) 38.597 1.312 ( 62.200 0.000 10.110) 63.016 1.819 ( 3.934 0.000 -0.903) 4.036 2.063 ( -0.406 0.000 -0.830) 0.924 2.087 ( 0.808 0.000 1.784) 1.959 2.129 ( 7.155 0.000 -2.788) 7.679 2.386 ( -10.928 0.000 -11.489) 15.856 2.467 ( -2.755 0.000 -2.083) 3.454 2.531 ( -8.967 0.000 -5.921) 10.745 2.674 ( -1.301 0.000 1.440) 1.941 2.712 ( 2.912 0.000 1.806) 3.427 2.744 ( 1.478 0.000 4.633) 4.863 2.994 ( 4.851 0.000 -0.453) 4.872 3.166 ( -4.403 0.000 -1.729) 4.730 3.282 ( -5.081 0.000 6.853) 8.531 3.300 ( -4.426 0.000 1.338) 4.624 3.349 ( -3.026 0.000 3.247) 4.439 3.394 ( 0.729 0.000 -7.088) 7.125 3.468 ( -2.814 0.000 6.219) 6.826 3.516 ( -5.825 0.000 -0.103) 5.826 3.637 ( -4.789 0.000 -3.520) 5.944 3.694 ( -10.280 0.000 7.475) 12.711 3.812 ( -1.804 0.000 -0.774) 1.963 3.820 ( -2.397 0.000 -0.169) 2.403 3.909 ( 5.509 0.000 -4.255) 6.960 4.007 ( -1.157 0.000 2.471) 2.729 4.039 ( -0.559 0.000 0.199) 0.593 4.086 ( 6.794 0.000 3.256) 7.534 4.147 ( 3.064 0.000 1.643) 3.476 4.156 ( 1.901 0.000 3.132) 3.664 4.234 ( 1.753 0.000 0.300) 1.778 4.334 ( 10.236 0.000 -1.196) 10.305 4.342 ( 5.639 0.000 4.530) 7.233 4.422 ( 2.834 0.000 1.461) 3.188 4.449 ( -11.175 0.000 3.441) 11.693 4.517 ( 2.277 0.000 3.455) 4.138 4.654 ( 1.876 0.000 0.349) 1.908 5.016 ( -11.934 0.000 -5.297) 13.057 5.039 ( -3.805 0.000 -5.454) 6.650 5.053 ( -4.029 0.000 -4.332) 5.916 5.144 ( -5.239 0.000 1.261) 5.389 5.252 ( -12.297 0.000 -4.338) 13.039 5.353 ( 9.060 0.000 1.938) 9.265 5.486 ( 3.861 0.000 -7.481) 8.418 5.492 ( -5.009 0.000 4.303) 6.603 5.682 ( -0.578 0.000 -1.243) 1.371 5.743 ( -3.740 0.000 2.551) 4.527 5.864 ( -0.596 0.000 -1.959) 2.047 5.918 ( -1.918 0.000 1.734) 2.586 5.969 ( -0.202 0.000 2.004) 2.014 5.984 ( 2.464 0.000 4.067) 4.755 6.026 ( -1.633 0.000 0.749) 1.797 6.078 ( 0.176 0.000 0.827) 0.846 6.159 ( 1.098 0.000 -2.447) 2.682 6.165 ( -3.291 0.000 -3.117) 4.533 6.223 ( 4.117 0.000 -1.041) 4.246 6.392 ( -1.862 0.000 -0.964) 2.097 6.426 ( -0.075 0.000 1.907) 1.908 6.443 ( -5.095 0.000 -2.961) 5.893 6.533 ( -0.866 0.000 4.533) 4.615 6.548 ( -0.833 0.000 1.161) 1.429 6.626 ( 0.240 0.000 -0.237) 0.337 6.626 ( 1.203 0.000 0.161) 1.214 6.675 ( -2.394 0.000 -1.244) 2.698 6.706 ( -0.697 0.000 -0.564) 0.896 6.709 ( 4.363 0.000 -1.298) 4.552 6.825 ( 3.746 0.000 -0.534) 3.784 6.881 ( -5.551 0.000 -1.590) 5.774 6.950 ( -3.613 0.000 4.392) 5.687 6.967 ( 1.223 0.000 -1.536) 1.964 7.058 ( -0.768 0.000 7.457) 7.497 7.070 ( 7.584 0.000 -0.494) 7.600 7.097 ( 1.492 0.000 -0.602) 1.609 7.201 ( 3.646 0.000 0.948) 3.768 7.228 ( -8.016 0.000 1.260) 8.114 7.273 ( 8.213 0.000 -2.855) 8.695 7.316 ( -2.168 0.000 -1.095) 2.429 7.411 ( 1.916 0.000 1.138) 2.228 7.461 ( 6.117 0.000 5.807) 8.434 7.558 ( -3.311 0.000 1.291) 3.553 7.560 ( 1.007 0.000 0.398) 1.083 7.633 ( -3.923 0.000 -7.373) 8.352 7.653 ( 4.039 0.000 2.181) 4.591 7.693 ( -1.898 0.000 2.346) 3.017 7.741 ( -1.745 0.000 -0.637) 1.857 7.838 ( 0.472 0.000 -2.052) 2.106 7.906 ( -0.488 0.000 -2.377) 2.426 7.949 ( -3.717 0.000 2.044) 4.242 8.015 ( 2.981 0.000 1.835) 3.501 8.032 ( 0.936 0.000 -3.265) 3.396 8.089 ( 2.239 0.000 7.024) 7.372 8.115 ( -3.113 0.000 2.439) 3.955 8.124 ( 2.321 0.000 -0.605) 2.399 8.159 ( -0.383 0.000 -1.144) 1.207 8.264 ( 1.559 0.000 -1.003) 1.854 8.275 ( -1.090 0.000 5.116) 5.231 8.296 ( 1.487 0.000 -2.069) 2.548 8.373 ( 4.648 0.000 -6.338) 7.860 8.438 ( 1.948 0.000 -5.835) 6.151 8.472 ( -0.177 0.000 -2.257) 2.264 8.482 ( -4.980 0.000 -2.615) 5.625 8.599 ( -5.637 0.000 4.727) 7.356 8.609 ( -2.101 0.000 6.466) 6.799 8.702 ( 2.766 0.000 -0.493) 2.810 8.717 ( -7.458 0.000 6.419) 9.840 8.782 ( 4.094 0.000 -0.477) 4.121 8.825 ( -1.912 0.000 1.385) 2.361 8.877 ( -1.589 0.000 -2.789) 3.210 8.936 ( 5.349 0.000 -5.318) 7.543 8.949 ( 0.382 0.000 0.569) 0.685 9.031 ( 3.889 0.000 -2.214) 4.475 9.130 ( 4.822 0.000 -3.460) 5.935 9.160 ( 0.431 0.000 0.586) 0.727 9.201 ( -1.447 0.000 -3.958) 4.214 9.226 ( -0.993 0.000 2.067) 2.293 9.262 ( -0.768 0.000 4.087) 4.158 9.293 ( -1.103 0.000 -3.385) 3.560 9.294 ( 1.353 0.000 -4.520) 4.719 9.420 ( 1.046 0.000 2.348) 2.570 9.515 ( 0.738 0.000 -1.047) 1.281 9.573 ( 2.445 0.000 0.699) 2.543 9.739 ( -0.225 0.000 1.276) 1.295 9.795 ( 0.625 0.000 -0.549) 0.832 9.840 ( 0.117 0.000 3.479) 3.481 9.987 ( -3.899 0.000 0.039) 3.899 10.050 ( 0.937 0.000 -2.692) 2.850 10.109 ( -1.169 0.000 0.027) 1.169 10.112 ( 1.378 0.000 0.654) 1.525 10.210 ( -1.452 0.000 -0.463) 1.525 10.493 ( -3.682 0.000 -3.041) 4.775 10.669 ( 2.840 0.000 3.439) 4.460 10.707 ( 3.447 0.000 -4.745) 5.865 10.954 ( -2.638 0.000 -1.033) 2.833 11.120 ( -0.034 0.000 5.813) 5.814 11.174 ( -4.486 0.000 -1.908) 4.875 11.362 ( 1.100 0.000 1.855) 2.156 11.373 ( -2.724 0.000 -1.749) 3.237 11.628 ( 4.253 0.000 0.585) 4.293 11.745 ( 0.843 0.000 0.909) 1.240 11.758 ( 0.067 0.000 -1.287) 1.289 11.828 ( -1.553 0.000 0.209) 1.567 11.847 ( -0.474 0.000 -0.033) 0.475 11.986 ( 2.549 0.000 -1.212) 2.823 12.030 ( -0.049 0.000 -1.367) 1.368 12.183 ( -4.523 0.000 1.692) 4.830 12.207 ( -1.704 0.000 0.280) 1.727 12.248 ( 0.244 0.000 2.105) 2.119 12.270 ( -0.151 0.000 5.570) 5.572 12.337 ( 1.701 0.000 1.553) 2.303 12.343 ( -0.020 0.000 1.160) 1.160 12.441 ( 1.933 0.000 0.035) 1.933 12.512 ( 4.295 0.000 -1.413) 4.521 12.538 ( -0.923 0.000 0.417) 1.013 12.605 ( 1.093 0.000 0.272) 1.126 12.683 ( 0.508 0.000 0.047) 0.510 12.707 ( 0.281 0.000 -4.014) 4.024 12.744 ( 0.002 0.000 -3.979) 3.979 12.776 ( -2.016 0.000 2.272) 3.038 12.848 ( -5.152 0.000 -2.234) 5.615 12.987 ( -3.850 0.000 -6.995) 7.984 13.004 ( 0.061 0.000 0.454) 0.458 13.078 ( 2.726 0.000 -0.683) 2.810 13.090 ( -2.247 0.000 4.689) 5.200 13.118 ( 2.191 0.000 -1.138) 2.469 13.149 ( 1.539 0.000 1.698) 2.292 13.229 ( 4.058 0.000 1.716) 4.406 13.260 ( -1.024 0.000 1.015) 1.442 13.272 ( 3.158 0.000 1.435) 3.468 13.322 ( -1.730 0.000 -1.078) 2.038 13.565 ( -0.511 0.000 -0.315) 0.600 13.693 ( -0.717 0.000 0.891) 1.144 13.701 ( -0.285 0.000 -1.750) 1.773 13.731 ( 5.974 0.000 -5.094) 7.851 13.764 ( -1.268 0.000 2.190) 2.531 13.875 ( -3.201 0.000 2.453) 4.033 13.907 ( 3.397 0.000 -0.403) 3.421 13.927 ( -0.542 0.000 -4.137) 4.173 13.984 ( -0.792 0.000 5.570) 5.626 13.990 ( 3.156 0.000 4.123) 5.192 14.096 ( 2.608 0.000 -1.095) 2.829 14.138 ( -1.004 0.000 -0.375) 1.072 14.210 ( 0.379 0.000 3.586) 3.606 14.215 ( -4.958 0.000 -0.861) 5.032 14.273 ( -3.337 0.000 -5.297) 6.261 14.379 ( -2.092 0.000 0.638) 2.187 14.509 ( 3.933 0.000 1.186) 4.108 14.543 ( -3.069 0.000 -5.206) 6.043 14.613 ( 3.441 0.000 2.990) 4.559 14.709 ( -3.217 0.000 -2.390) 4.008 14.870 ( 3.353 0.000 2.945) 4.463 14.967 ( 5.345 0.000 -3.405) 6.337 15.049 ( 0.414 0.000 -3.742) 3.765 15.190 ( -1.617 0.000 1.707) 2.351 15.241 ( -2.466 0.000 2.693) 3.652 15.448 ( -1.440 0.000 0.522) 1.532 15.491 ( -5.028 0.000 -1.017) 5.130 15.709 ( 2.929 0.000 1.628) 3.351 15.715 ( 6.383 0.000 -5.301) 8.297 15.864 ( -0.352 0.000 2.801) 2.823 16.011 ( -1.194 0.000 -1.527) 1.939 16.371 ( -3.115 0.000 3.364) 4.585 16.427 ( -3.535 0.000 -0.600) 3.586 16.479 ( -2.857 0.000 0.152) 2.861 16.605 ( 4.123 0.000 -1.413) 4.359 16.745 ( 2.720 0.000 0.434) 2.754 16.890 ( 2.050 0.000 2.925) 3.572 16.930 ( 0.122 0.000 -1.965) 1.968 17.189 ( 3.529 0.000 5.519) 6.551 17.258 ( -4.354 0.000 0.959) 4.458 17.265 ( 0.226 0.000 -0.029) 0.228 17.283 ( 2.200 0.000 3.328) 3.990 17.441 ( -10.445 0.000 -8.838) 13.683 17.451 ( -7.655 0.000 -0.815) 7.698 17.597 ( 7.486 0.000 2.458) 7.879 17.696 ( -3.241 0.000 4.557) 5.592 17.773 ( -0.216 0.000 -0.071) 0.228 17.853 ( 6.864 0.000 -0.246) 6.869 17.906 ( 5.119 0.000 1.009) 5.218 17.976 ( -5.958 0.000 -5.814) 8.324 18.139 ( -0.965 0.000 6.474) 6.546 18.217 ( 3.718 0.000 -0.832) 3.810 18.346 ( 5.673 0.000 0.031) 5.673 18.471 ( -0.803 0.000 4.320) 4.394 18.476 ( -3.022 0.000 0.978) 3.176 18.577 ( -5.631 0.000 -6.333) 8.475 18.789 ( 5.136 0.000 -9.366) 10.682 18.899 ( 0.025 0.000 -9.729) 9.730 18.906 ( -1.876 0.000 -0.261) 1.894 18.951 ( -10.992 0.000 7.046) 13.057 19.135 ( 3.275 0.000 7.167) 7.880 19.340 ( -0.532 0.000 16.612) 16.620 19.418 ( 5.230 0.000 -0.739) 5.282 20.316 ( -7.294 0.000 -0.736) 7.331 20.519 ( -3.515 0.000 11.909) 12.417 20.767 ( 5.450 0.000 -0.711) 5.496 21.274 ( -4.194 0.000 0.014) 4.194 21.590 ( 0.902 0.000 1.164) 1.473 22.497 ( 0.415 0.000 0.645) 0.767 22.588 ( 3.754 0.000 -13.447) 13.961 ======================= Grid point 2 (3/39) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.362 ( 29.648 0.000 12.434) 32.150 1.398 ( 25.817 0.000 12.389) 28.636 1.884 ( 1.937 0.000 -1.336) 2.353 1.891 ( -15.229 0.000 -4.410) 15.854 2.033 ( -3.204 0.000 -0.911) 3.331 2.062 ( 2.858 0.000 -4.812) 5.597 2.142 ( -0.153 0.000 -1.424) 1.432 2.235 ( -14.443 0.000 -7.264) 16.167 2.416 ( -1.645 0.000 -1.155) 2.010 2.458 ( 9.161 0.000 1.120) 9.229 2.745 ( 0.164 0.000 0.667) 0.687 2.781 ( 0.953 0.000 1.235) 1.560 2.896 ( 34.643 0.000 -4.044) 34.878 3.101 ( 4.772 0.000 5.996) 7.663 3.173 ( 6.139 0.000 -5.516) 8.253 3.193 ( -4.475 0.000 4.611) 6.426 3.228 ( -3.291 0.000 4.285) 5.402 3.299 ( -4.711 0.000 3.332) 5.771 3.364 ( -0.058 0.000 -0.715) 0.717 3.393 ( -4.305 0.000 -1.330) 4.505 3.482 ( 1.820 0.000 4.609) 4.955 3.603 ( 0.469 0.000 -1.259) 1.344 3.643 ( 1.978 0.000 1.555) 2.516 3.749 ( -2.903 0.000 0.148) 2.907 3.772 ( -2.863 0.000 1.287) 3.139 3.930 ( -1.539 0.000 -1.161) 1.927 3.946 ( -19.035 0.000 -3.480) 19.350 4.062 ( 5.680 0.000 1.111) 5.788 4.106 ( -9.169 0.000 -1.894) 9.362 4.154 ( -2.804 0.000 -1.297) 3.089 4.192 ( -2.791 0.000 7.511) 8.013 4.238 ( 4.306 0.000 -7.800) 8.910 4.295 ( 3.133 0.000 1.105) 3.322 4.350 ( -22.707 0.000 -2.428) 22.836 4.462 ( 2.657 0.000 -1.724) 3.167 4.471 ( 2.491 0.000 4.480) 5.126 4.541 ( 6.331 0.000 2.571) 6.833 4.592 ( 1.397 0.000 1.394) 1.973 4.788 ( -1.305 0.000 0.892) 1.581 4.918 ( -3.434 0.000 -4.183) 5.412 5.017 ( -1.638 0.000 -2.204) 2.746 5.155 ( 1.299 0.000 -3.509) 3.742 5.175 ( 8.492 0.000 -3.071) 9.030 5.394 ( -9.839 0.000 -1.452) 9.946 5.429 ( -3.561 0.000 2.413) 4.302 5.551 ( 7.413 0.000 2.669) 7.879 5.656 ( -1.118 0.000 -0.698) 1.318 5.699 ( -1.196 0.000 -0.429) 1.271 5.865 ( 0.994 0.000 -0.654) 1.190 5.876 ( -1.524 0.000 1.013) 1.829 5.968 ( -0.197 0.000 1.178) 1.194 6.020 ( 0.338 0.000 0.636) 0.721 6.047 ( 0.390 0.000 2.254) 2.288 6.106 ( -1.387 0.000 -1.980) 2.417 6.123 ( 3.722 0.000 1.264) 3.931 6.176 ( -0.128 0.000 0.769) 0.780 6.197 ( -2.516 0.000 -3.324) 4.169 6.334 ( -2.498 0.000 -1.884) 3.129 6.405 ( -2.235 0.000 1.254) 2.562 6.447 ( 0.891 0.000 1.288) 1.566 6.555 ( 0.466 0.000 1.984) 2.038 6.579 ( 3.919 0.000 0.181) 3.923 6.592 ( -2.097 0.000 -0.933) 2.296 6.624 ( -2.080 0.000 -0.323) 2.105 6.645 ( -0.145 0.000 0.021) 0.146 6.701 ( 0.115 0.000 -0.428) 0.443 6.750 ( 4.611 0.000 -3.311) 5.676 6.830 ( -0.352 0.000 2.833) 2.855 6.912 ( -0.899 0.000 0.405) 0.986 6.949 ( 7.257 0.000 0.173) 7.259 6.957 ( -0.661 0.000 -4.566) 4.613 7.023 ( -10.916 0.000 4.032) 11.637 7.084 ( -0.873 0.000 5.619) 5.687 7.190 ( 3.106 0.000 -0.298) 3.120 7.212 ( 6.165 0.000 -0.313) 6.173 7.262 ( -1.950 0.000 -0.651) 2.055 7.269 ( 2.638 0.000 0.520) 2.689 7.381 ( 3.258 0.000 1.362) 3.531 7.420 ( -1.183 0.000 -2.721) 2.967 7.501 ( -5.422 0.000 -2.168) 5.839 7.524 ( 0.642 0.000 0.729) 0.971 7.541 ( 0.467 0.000 7.797) 7.811 7.576 ( 0.716 0.000 -4.394) 4.452 7.684 ( -2.060 0.000 1.410) 2.496 7.724 ( 0.632 0.000 0.870) 1.076 7.728 ( 2.234 0.000 -0.838) 2.386 7.753 ( -3.438 0.000 -3.932) 5.223 7.881 ( -3.651 0.000 0.351) 3.668 7.926 ( 1.716 0.000 -1.241) 2.118 8.038 ( 1.253 0.000 -2.385) 2.694 8.054 ( -0.021 0.000 1.936) 1.936 8.073 ( -2.308 0.000 0.123) 2.312 8.097 ( 0.371 0.000 0.394) 0.541 8.225 ( 5.400 0.000 5.637) 7.806 8.230 ( 3.329 0.000 5.697) 6.598 8.279 ( -0.950 0.000 0.810) 1.248 8.293 ( 2.008 0.000 -2.990) 3.602 8.308 ( 0.339 0.000 2.251) 2.277 8.356 ( -4.190 0.000 -3.854) 5.693 8.422 ( 0.910 0.000 -1.911) 2.117 8.439 ( -0.635 0.000 -5.423) 5.460 8.452 ( 0.648 0.000 -2.406) 2.492 8.553 ( -4.426 0.000 0.260) 4.434 8.575 ( 0.556 0.000 2.646) 2.703 8.656 ( -0.990 0.000 4.276) 4.389 8.782 ( -2.120 0.000 4.202) 4.706 8.784 ( 3.355 0.000 0.103) 3.356 8.809 ( -1.528 0.000 -7.702) 7.852 8.871 ( 2.480 0.000 0.733) 2.586 8.929 ( -0.540 0.000 -1.023) 1.157 8.995 ( 0.926 0.000 -0.248) 0.958 9.053 ( 1.294 0.000 0.584) 1.420 9.119 ( -1.561 0.000 -2.228) 2.720 9.177 ( 1.244 0.000 -3.186) 3.420 9.223 ( -3.298 0.000 2.899) 4.391 9.242 ( 4.228 0.000 -3.408) 5.431 9.259 ( 0.001 0.000 3.031) 3.031 9.268 ( 0.194 0.000 -1.768) 1.779 9.287 ( -0.349 0.000 0.504) 0.613 9.443 ( 0.176 0.000 1.369) 1.381 9.527 ( 0.637 0.000 -0.719) 0.960 9.617 ( 1.645 0.000 1.089) 1.973 9.719 ( -1.828 0.000 0.714) 1.963 9.825 ( 1.781 0.000 -0.325) 1.811 9.878 ( 1.648 0.000 0.899) 1.877 9.924 ( -2.048 0.000 0.395) 2.086 10.059 ( 1.443 0.000 -2.516) 2.901 10.082 ( -1.951 0.000 1.499) 2.460 10.131 ( 0.034 0.000 0.913) 0.914 10.181 ( -0.776 0.000 -0.819) 1.128 10.418 ( -2.398 0.000 -1.251) 2.705 10.728 ( 1.696 0.000 1.564) 2.307 10.758 ( 2.740 0.000 -0.200) 2.748 10.891 ( -2.838 0.000 -1.132) 3.056 11.096 ( -2.413 0.000 -0.982) 2.605 11.152 ( 0.955 0.000 2.305) 2.495 11.311 ( -2.151 0.000 -1.582) 2.670 11.383 ( 0.401 0.000 0.770) 0.868 11.701 ( 2.394 0.000 1.334) 2.740 11.747 ( -0.421 0.000 -1.777) 1.826 11.766 ( 0.699 0.000 0.803) 1.064 11.802 ( -0.972 0.000 -0.213) 0.995 11.848 ( 0.430 0.000 -0.055) 0.434 12.022 ( -0.033 0.000 -1.040) 1.041 12.030 ( 1.788 0.000 -0.204) 1.800 12.117 ( -2.589 0.000 1.463) 2.974 12.184 ( -0.705 0.000 -0.187) 0.729 12.262 ( 0.533 0.000 -0.082) 0.539 12.267 ( -1.148 0.000 1.790) 2.127 12.359 ( 0.139 0.000 1.124) 1.133 12.365 ( 0.768 0.000 1.025) 1.281 12.482 ( 1.659 0.000 -0.192) 1.670 12.541 ( 0.747 0.000 0.579) 0.945 12.602 ( 5.874 0.000 -0.186) 5.877 12.619 ( 0.209 0.000 0.363) 0.419 12.680 ( -0.103 0.000 -3.493) 3.494 12.692 ( 0.287 0.000 -0.075) 0.297 12.712 ( -1.683 0.000 -1.210) 2.073 12.726 ( -6.630 0.000 -1.399) 6.776 12.783 ( 1.209 0.000 3.097) 3.325 12.874 ( -4.377 0.000 -3.773) 5.779 13.011 ( 0.304 0.000 0.270) 0.407 13.060 ( -0.975 0.000 0.702) 1.202 13.141 ( 4.230 0.000 -1.199) 4.397 13.175 ( 0.531 0.000 0.752) 0.921 13.189 ( 3.070 0.000 0.180) 3.075 13.233 ( -3.485 0.000 2.227) 4.136 13.277 ( -1.170 0.000 -1.495) 1.899 13.304 ( 2.280 0.000 0.040) 2.280 13.328 ( 1.927 0.000 0.970) 2.158 13.555 ( -0.287 0.000 -0.327) 0.435 13.687 ( -0.014 0.000 0.719) 0.719 13.699 ( 0.133 0.000 -0.759) 0.770 13.731 ( -1.196 0.000 0.361) 1.249 13.811 ( 0.165 0.000 -1.854) 1.861 13.824 ( -0.316 0.000 1.685) 1.714 13.918 ( 0.482 0.000 0.184) 0.515 13.989 ( 4.543 0.000 -0.504) 4.571 13.995 ( -0.303 0.000 2.652) 2.669 14.046 ( 0.465 0.000 3.091) 3.125 14.112 ( -1.284 0.000 -0.892) 1.563 14.121 ( 0.434 0.000 -1.318) 1.388 14.129 ( -3.096 0.000 -0.333) 3.114 14.211 ( 0.024 0.000 -0.127) 0.129 14.248 ( 0.705 0.000 -0.382) 0.802 14.336 ( -1.993 0.000 0.367) 2.027 14.453 ( -2.408 0.000 -3.686) 4.402 14.582 ( 3.090 0.000 1.482) 3.427 14.643 ( -2.762 0.000 -2.028) 3.427 14.693 ( 2.400 0.000 1.559) 2.862 14.944 ( 2.610 0.000 3.467) 4.339 15.022 ( -1.139 0.000 -4.420) 4.564 15.029 ( 1.902 0.000 -0.952) 2.127 15.168 ( -1.050 0.000 0.954) 1.419 15.227 ( -0.038 0.000 2.111) 2.111 15.392 ( -3.942 0.000 -1.191) 4.118 15.429 ( -0.621 0.000 0.401) 0.739 15.781 ( 2.838 0.000 1.949) 3.443 15.796 ( 3.373 0.000 -2.653) 4.291 15.876 ( 0.610 0.000 0.873) 1.065 15.973 ( -1.540 0.000 -1.733) 2.319 16.300 ( -3.974 0.000 1.951) 4.427 16.369 ( -1.784 0.000 -0.705) 1.918 16.461 ( 0.284 0.000 -0.816) 0.864 16.651 ( 1.407 0.000 -0.741) 1.591 16.839 ( 5.134 0.000 1.059) 5.242 16.922 ( -0.018 0.000 -1.336) 1.336 16.949 ( 2.527 0.000 3.280) 4.141 17.138 ( -6.792 0.000 -0.220) 6.796 17.200 ( -1.704 0.000 0.872) 1.915 17.255 ( -4.251 0.000 -2.555) 4.960 17.314 ( -2.546 0.000 2.101) 3.301 17.392 ( 2.455 0.000 1.072) 2.679 17.417 ( 10.972 0.000 1.754) 11.111 17.599 ( -3.154 0.000 -1.239) 3.388 17.647 ( -10.280 0.000 -3.734) 10.937 17.755 ( 3.105 0.000 2.838) 4.207 17.886 ( 0.630 0.000 -2.610) 2.685 17.940 ( 3.884 0.000 -3.324) 5.113 18.064 ( -7.488 0.000 3.683) 8.345 18.116 ( 13.090 0.000 4.053) 13.703 18.292 ( 2.199 0.000 1.628) 2.736 18.386 ( -12.064 0.000 -4.510) 12.879 18.392 ( 2.072 0.000 -4.641) 5.082 18.446 ( -0.866 0.000 2.263) 2.423 18.546 ( 3.036 0.000 4.813) 5.690 18.810 ( -0.394 0.000 -0.825) 0.915 18.840 ( -1.466 0.000 -0.461) 1.537 18.847 ( -1.195 0.000 -4.827) 4.973 18.885 ( -0.705 0.000 0.366) 0.794 19.210 ( 1.667 0.000 2.627) 3.111 19.383 ( 0.097 0.000 4.068) 4.069 19.495 ( 2.375 0.000 0.024) 2.375 20.195 ( -4.019 0.000 -0.617) 4.066 20.511 ( -0.927 0.000 2.536) 2.700 20.852 ( 3.170 0.000 -0.421) 3.198 21.197 ( -3.070 0.000 0.072) 3.071 21.611 ( 0.558 0.000 0.706) 0.900 22.506 ( 0.236 0.000 0.385) 0.452 22.593 ( 0.993 0.000 -3.162) 3.315 ======================= Grid point 5 (4/39) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.827 ( 0.000 36.008 0.000) 36.008 0.881 ( 0.000 38.685 0.000) 38.685 1.382 ( 0.000 59.523 0.000) 59.523 1.845 ( 0.000 -0.575 0.000) 0.575 1.912 ( 0.000 4.767 0.000) 4.767 2.064 ( 0.000 -0.294 0.000) 0.294 2.064 ( 0.000 -0.770 0.000) 0.770 2.414 ( 0.000 0.230 0.000) 0.230 2.422 ( 0.000 -6.993 0.000) 6.993 2.606 ( 0.000 -5.262 0.000) 5.262 2.714 ( 0.000 2.449 0.000) 2.449 2.721 ( 0.000 4.856 0.000) 4.856 2.733 ( 0.000 3.067 0.000) 3.067 3.030 ( 0.000 7.725 0.000) 7.725 3.052 ( 0.000 -13.633 0.000) 13.633 3.282 ( 0.000 -4.471 0.000) 4.471 3.292 ( 0.000 -2.186 0.000) 2.186 3.417 ( 0.000 -0.149 0.000) 0.149 3.497 ( 0.000 0.661 0.000) 0.661 3.554 ( 0.000 1.189 0.000) 1.189 3.625 ( 0.000 3.731 0.000) 3.731 3.639 ( 0.000 -4.311 0.000) 4.311 3.768 ( 0.000 0.661 0.000) 0.661 3.819 ( 0.000 -1.412 0.000) 1.412 3.926 ( 0.000 -0.028 0.000) 0.028 3.931 ( 0.000 -3.094 0.000) 3.094 3.956 ( 0.000 -0.309 0.000) 0.309 3.977 ( 0.000 1.374 0.000) 1.374 4.011 ( 0.000 3.816 0.000) 3.816 4.119 ( 0.000 0.548 0.000) 0.548 4.193 ( 0.000 -2.596 0.000) 2.596 4.194 ( 0.000 0.040 0.000) 0.040 4.232 ( 0.000 -3.605 0.000) 3.605 4.321 ( 0.000 7.852 0.000) 7.852 4.405 ( 0.000 -1.604 0.000) 1.604 4.432 ( 0.000 1.045 0.000) 1.045 4.593 ( 0.000 4.950 0.000) 4.950 4.827 ( 0.000 2.603 0.000) 2.603 4.831 ( 0.000 -10.175 0.000) 10.175 5.039 ( 0.000 -9.092 0.000) 9.092 5.061 ( 0.000 0.756 0.000) 0.756 5.098 ( 0.000 -16.119 0.000) 16.119 5.304 ( 0.000 2.546 0.000) 2.546 5.417 ( 0.000 -0.478 0.000) 0.478 5.520 ( 0.000 0.767 0.000) 0.767 5.553 ( 0.000 -3.492 0.000) 3.492 5.750 ( 0.000 -2.225 0.000) 2.225 5.800 ( 0.000 5.023 0.000) 5.023 5.857 ( 0.000 1.164 0.000) 1.164 5.888 ( 0.000 -4.942 0.000) 4.942 5.896 ( 0.000 -0.802 0.000) 0.802 6.000 ( 0.000 -2.764 0.000) 2.764 6.026 ( 0.000 -1.419 0.000) 1.419 6.123 ( 0.000 1.991 0.000) 1.991 6.215 ( 0.000 4.920 0.000) 4.920 6.237 ( 0.000 6.331 0.000) 6.331 6.292 ( 0.000 2.787 0.000) 2.787 6.399 ( 0.000 2.777 0.000) 2.777 6.478 ( 0.000 1.127 0.000) 1.127 6.535 ( 0.000 1.239 0.000) 1.239 6.544 ( 0.000 -0.588 0.000) 0.588 6.586 ( 0.000 -1.799 0.000) 1.799 6.637 ( 0.000 3.989 0.000) 3.989 6.656 ( 0.000 0.798 0.000) 0.798 6.729 ( 0.000 1.688 0.000) 1.688 6.769 ( 0.000 4.192 0.000) 4.192 6.780 ( 0.000 4.110 0.000) 4.110 6.865 ( 0.000 -1.568 0.000) 1.568 6.875 ( 0.000 4.930 0.000) 4.930 6.982 ( 0.000 0.311 0.000) 0.311 7.011 ( 0.000 2.669 0.000) 2.669 7.036 ( 0.000 -4.724 0.000) 4.724 7.056 ( 0.000 3.071 0.000) 3.071 7.122 ( 0.000 0.947 0.000) 0.947 7.126 ( 0.000 1.816 0.000) 1.816 7.170 ( 0.000 1.133 0.000) 1.133 7.263 ( 0.000 -4.027 0.000) 4.027 7.280 ( 0.000 -3.003 0.000) 3.003 7.389 ( 0.000 3.694 0.000) 3.694 7.489 ( 0.000 -1.164 0.000) 1.164 7.519 ( 0.000 5.044 0.000) 5.044 7.573 ( 0.000 -3.652 0.000) 3.652 7.588 ( 0.000 2.177 0.000) 2.177 7.635 ( 0.000 -0.704 0.000) 0.704 7.673 ( 0.000 -5.004 0.000) 5.004 7.714 ( 0.000 -3.228 0.000) 3.228 7.802 ( 0.000 -3.143 0.000) 3.143 7.899 ( 0.000 -5.712 0.000) 5.712 7.933 ( 0.000 2.832 0.000) 2.832 7.952 ( 0.000 -1.093 0.000) 1.093 8.028 ( 0.000 0.623 0.000) 0.623 8.064 ( 0.000 -0.206 0.000) 0.206 8.073 ( 0.000 -0.888 0.000) 0.888 8.169 ( 0.000 3.583 0.000) 3.583 8.175 ( 0.000 1.567 0.000) 1.567 8.205 ( 0.000 -2.139 0.000) 2.139 8.301 ( 0.000 -3.506 0.000) 3.506 8.347 ( 0.000 2.542 0.000) 2.542 8.389 ( 0.000 0.866 0.000) 0.866 8.427 ( 0.000 -2.344 0.000) 2.344 8.459 ( 0.000 -1.853 0.000) 1.853 8.542 ( 0.000 -3.710 0.000) 3.710 8.568 ( 0.000 -1.011 0.000) 1.011 8.581 ( 0.000 -1.232 0.000) 1.232 8.702 ( 0.000 1.398 0.000) 1.398 8.710 ( 0.000 -5.198 0.000) 5.198 8.804 ( 0.000 2.985 0.000) 2.985 8.806 ( 0.000 -1.115 0.000) 1.115 8.868 ( 0.000 0.233 0.000) 0.233 8.892 ( 0.000 -1.298 0.000) 1.298 8.973 ( 0.000 2.570 0.000) 2.570 8.989 ( 0.000 -0.076 0.000) 0.076 8.996 ( 0.000 1.550 0.000) 1.550 9.181 ( 0.000 -1.520 0.000) 1.520 9.215 ( 0.000 -0.974 0.000) 0.974 9.220 ( 0.000 -1.367 0.000) 1.367 9.257 ( 0.000 -0.453 0.000) 0.453 9.261 ( 0.000 -0.491 0.000) 0.491 9.296 ( 0.000 -2.090 0.000) 2.090 9.426 ( 0.000 1.231 0.000) 1.231 9.495 ( 0.000 -3.976 0.000) 3.976 9.505 ( 0.000 1.275 0.000) 1.275 9.673 ( 0.000 0.272 0.000) 0.272 9.722 ( 0.000 -1.160 0.000) 1.160 9.832 ( 0.000 -3.183 0.000) 3.183 9.840 ( 0.000 -3.278 0.000) 3.278 10.028 ( 0.000 -0.212 0.000) 0.212 10.112 ( 0.000 -1.630 0.000) 1.630 10.142 ( 0.000 3.219 0.000) 3.219 10.262 ( 0.000 -0.257 0.000) 0.257 10.613 ( 0.000 3.466 0.000) 3.466 10.666 ( 0.000 1.127 0.000) 1.127 10.689 ( 0.000 5.228 0.000) 5.228 10.961 ( 0.000 -2.143 0.000) 2.143 11.112 ( 0.000 1.101 0.000) 1.101 11.219 ( 0.000 -1.924 0.000) 1.924 11.358 ( 0.000 1.863 0.000) 1.863 11.436 ( 0.000 2.022 0.000) 2.022 11.593 ( 0.000 0.340 0.000) 0.340 11.679 ( 0.000 -3.239 0.000) 3.239 11.752 ( 0.000 -1.063 0.000) 1.063 11.808 ( 0.000 -2.370 0.000) 2.370 11.914 ( 0.000 4.025 0.000) 4.025 11.979 ( 0.000 0.800 0.000) 0.800 12.091 ( 0.000 4.518 0.000) 4.518 12.192 ( 0.000 0.037 0.000) 0.037 12.214 ( 0.000 -2.590 0.000) 2.590 12.226 ( 0.000 -2.911 0.000) 2.911 12.263 ( 0.000 1.450 0.000) 1.450 12.266 ( 0.000 -1.129 0.000) 1.129 12.343 ( 0.000 -0.696 0.000) 0.696 12.407 ( 0.000 -4.827 0.000) 4.827 12.480 ( 0.000 3.768 0.000) 3.768 12.554 ( 0.000 0.416 0.000) 0.416 12.581 ( 0.000 2.158 0.000) 2.158 12.584 ( 0.000 -1.647 0.000) 1.647 12.719 ( 0.000 -1.184 0.000) 1.184 12.755 ( 0.000 3.196 0.000) 3.196 12.817 ( 0.000 2.375 0.000) 2.375 12.855 ( 0.000 -8.080 0.000) 8.080 12.927 ( 0.000 -4.332 0.000) 4.332 12.980 ( 0.000 0.143 0.000) 0.143 13.034 ( 0.000 -2.024 0.000) 2.024 13.042 ( 0.000 2.064 0.000) 2.064 13.125 ( 0.000 1.494 0.000) 1.494 13.144 ( 0.000 0.882 0.000) 0.882 13.190 ( 0.000 -2.220 0.000) 2.220 13.231 ( 0.000 0.622 0.000) 0.622 13.266 ( 0.000 -0.387 0.000) 0.387 13.453 ( 0.000 -5.221 0.000) 5.221 13.608 ( 0.000 7.804 0.000) 7.804 13.659 ( 0.000 0.744 0.000) 0.744 13.725 ( 0.000 0.895 0.000) 0.895 13.745 ( 0.000 -1.578 0.000) 1.578 13.820 ( 0.000 -0.120 0.000) 0.120 13.859 ( 0.000 -1.473 0.000) 1.473 13.881 ( 0.000 0.647 0.000) 0.647 13.929 ( 0.000 2.237 0.000) 2.237 13.999 ( 0.000 -1.313 0.000) 1.313 14.057 ( 0.000 5.282 0.000) 5.282 14.147 ( 0.000 5.248 0.000) 5.248 14.159 ( 0.000 9.100 0.000) 9.100 14.212 ( 0.000 4.295 0.000) 4.295 14.273 ( 0.000 3.003 0.000) 3.003 14.344 ( 0.000 -2.755 0.000) 2.755 14.417 ( 0.000 4.801 0.000) 4.801 14.466 ( 0.000 -4.019 0.000) 4.019 14.558 ( 0.000 1.917 0.000) 1.917 14.628 ( 0.000 -0.687 0.000) 0.687 14.724 ( 0.000 -3.130 0.000) 3.130 14.862 ( 0.000 0.403 0.000) 0.403 14.918 ( 0.000 4.145 0.000) 4.145 15.032 ( 0.000 -1.520 0.000) 1.520 15.057 ( 0.000 -3.293 0.000) 3.293 15.214 ( 0.000 -0.601 0.000) 0.601 15.417 ( 0.000 -6.450 0.000) 6.450 15.500 ( 0.000 -9.033 0.000) 9.033 15.524 ( 0.000 -0.488 0.000) 0.488 15.739 ( 0.000 -2.674 0.000) 2.674 16.024 ( 0.000 5.641 0.000) 5.641 16.073 ( 0.000 -0.216 0.000) 0.216 16.432 ( 0.000 4.256 0.000) 4.256 16.443 ( 0.000 -3.645 0.000) 3.645 16.582 ( 0.000 1.562 0.000) 1.562 16.672 ( 0.000 -2.437 0.000) 2.437 16.822 ( 0.000 -3.304 0.000) 3.304 16.854 ( 0.000 -2.881 0.000) 2.881 16.980 ( 0.000 2.771 0.000) 2.771 17.108 ( 0.000 -0.859 0.000) 0.859 17.173 ( 0.000 -3.998 0.000) 3.998 17.327 ( 0.000 -3.329 0.000) 3.329 17.372 ( 0.000 -5.630 0.000) 5.630 17.444 ( 0.000 -11.958 0.000) 11.958 17.493 ( 0.000 -1.480 0.000) 1.480 17.632 ( 0.000 1.049 0.000) 1.049 17.698 ( 0.000 3.718 0.000) 3.718 17.714 ( 0.000 -1.761 0.000) 1.761 17.774 ( 0.000 3.850 0.000) 3.850 17.842 ( 0.000 1.409 0.000) 1.409 18.150 ( 0.000 -1.701 0.000) 1.701 18.232 ( 0.000 4.206 0.000) 4.206 18.246 ( 0.000 3.435 0.000) 3.435 18.301 ( 0.000 2.760 0.000) 2.760 18.409 ( 0.000 2.292 0.000) 2.292 18.526 ( 0.000 6.387 0.000) 6.387 18.654 ( 0.000 -0.190 0.000) 0.190 18.760 ( 0.000 1.235 0.000) 1.235 18.796 ( 0.000 -1.494 0.000) 1.494 18.974 ( 0.000 3.612 0.000) 3.612 18.984 ( 0.000 3.799 0.000) 3.799 19.140 ( 0.000 -0.706 0.000) 0.706 19.237 ( 0.000 -1.840 0.000) 1.840 19.945 ( 0.000 0.125 0.000) 0.125 20.065 ( 0.000 -2.888 0.000) 2.888 20.722 ( 0.000 1.592 0.000) 1.592 20.870 ( 0.000 -2.188 0.000) 2.188 21.347 ( 0.000 2.659 0.000) 2.659 21.566 ( 0.000 -1.197 0.000) 1.197 22.507 ( 0.000 -0.066 0.000) 0.066 22.512 ( 0.000 -0.450 0.000) 0.450 ======================= Grid point 6 (5/39) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.015 ( 19.616 26.206 2.575) 32.836 1.099 ( 20.596 26.894 7.186) 34.628 1.779 ( 22.918 24.967 10.078) 35.358 1.847 ( 3.824 2.182 -0.564) 4.439 2.040 ( -0.366 -1.035 -0.482) 1.199 2.052 ( 2.653 -1.776 -2.612) 4.125 2.205 ( 19.037 10.764 1.834) 21.946 2.308 ( -3.644 -1.847 -6.186) 7.413 2.424 ( -2.271 -3.646 -3.239) 5.380 2.552 ( -7.790 0.791 -4.377) 8.971 2.679 ( -0.332 0.639 1.462) 1.629 2.737 ( 0.880 2.707 -0.980) 3.011 2.781 ( 1.862 2.458 1.728) 3.534 2.990 ( -2.122 -5.576 0.318) 5.975 3.086 ( 4.315 -1.921 -2.853) 5.518 3.215 ( -3.094 -4.778 -6.031) 8.293 3.273 ( -4.354 -2.655 2.914) 5.873 3.333 ( -10.255 -2.265 5.064) 11.659 3.392 ( 0.608 0.258 -3.684) 3.743 3.493 ( -3.530 2.352 5.296) 6.786 3.526 ( -8.611 -0.435 -0.178) 8.624 3.709 ( -6.882 1.343 6.474) 9.544 3.733 ( -2.737 3.314 -2.079) 4.774 3.761 ( -1.517 1.641 -2.535) 3.380 3.823 ( -2.486 -0.927 -1.703) 3.153 3.949 ( 4.322 1.741 -3.279) 5.698 4.004 ( 1.341 1.518 -1.279) 2.396 4.044 ( -0.639 -1.708 -0.345) 1.856 4.121 ( 7.426 -2.382 -4.538) 9.023 4.145 ( 1.811 0.337 6.425) 6.684 4.148 ( 0.712 1.221 6.911) 7.054 4.236 ( -1.993 0.119 0.696) 2.114 4.291 ( 4.984 -2.795 -0.361) 5.726 4.317 ( 2.327 -0.962 2.694) 3.688 4.472 ( 1.068 2.042 3.735) 4.389 4.512 ( -0.439 1.012 3.184) 3.370 4.536 ( 4.174 5.148 1.955) 6.910 4.727 ( -2.950 3.029 1.020) 4.349 4.854 ( -10.377 -10.480 1.426) 14.817 4.962 ( 0.379 -5.514 -2.103) 5.914 5.077 ( 1.951 -1.990 -0.957) 2.947 5.099 ( 0.549 -2.466 -3.518) 4.331 5.252 ( -10.388 2.882 -1.723) 10.917 5.363 ( -4.766 -0.658 3.555) 5.982 5.467 ( -2.130 0.574 -3.331) 3.996 5.548 ( 1.377 -2.356 -2.940) 4.011 5.695 ( -4.267 -1.875 -5.143) 6.940 5.704 ( -2.599 1.720 0.202) 3.123 5.824 ( -0.753 -1.566 0.528) 1.816 5.899 ( -0.544 -2.049 0.852) 2.285 5.959 ( 0.743 2.095 2.195) 3.124 6.007 ( 1.113 -1.461 0.941) 2.064 6.090 ( 2.957 4.438 0.992) 5.424 6.125 ( 2.186 0.200 0.160) 2.201 6.176 ( -1.331 4.293 -0.091) 4.496 6.202 ( -1.630 3.864 -4.187) 5.926 6.302 ( 1.642 3.836 0.105) 4.174 6.400 ( -2.202 -0.095 -0.854) 2.363 6.426 ( -1.543 1.581 -1.133) 2.483 6.496 ( -4.357 1.140 -1.059) 4.626 6.526 ( -2.198 1.673 1.254) 3.034 6.566 ( 0.443 0.341 -0.720) 0.912 6.626 ( -0.223 -0.263 -3.945) 3.960 6.655 ( -0.197 3.255 0.290) 3.274 6.710 ( -0.074 5.106 -0.138) 5.109 6.757 ( -1.529 3.498 2.943) 4.821 6.782 ( 0.626 3.032 1.142) 3.300 6.847 ( -2.197 0.904 0.703) 2.478 6.905 ( 1.596 4.335 -0.136) 4.621 6.954 ( -2.692 1.151 -0.095) 2.929 6.972 ( -1.870 1.248 1.903) 2.945 7.046 ( 3.086 -3.225 0.170) 4.467 7.085 ( 5.493 -0.476 2.599) 6.095 7.106 ( -1.241 1.772 -0.148) 2.168 7.159 ( 0.201 0.349 0.479) 0.626 7.221 ( 1.256 -3.058 -1.860) 3.793 7.258 ( 5.652 0.452 -2.628) 6.250 7.344 ( -3.047 3.167 -1.025) 4.513 7.382 ( 1.745 -5.178 4.149) 6.861 7.489 ( 0.925 1.909 1.851) 2.815 7.515 ( -1.643 -4.023 -2.408) 4.969 7.568 ( -2.479 -0.042 4.213) 4.888 7.592 ( 0.580 -2.061 -2.375) 3.197 7.646 ( 1.047 0.256 -4.144) 4.282 7.655 ( -0.995 -2.064 3.220) 3.952 7.742 ( 1.625 0.222 2.318) 2.839 7.791 ( -0.499 -3.499 -0.452) 3.563 7.880 ( -3.555 -3.014 -1.628) 4.937 7.936 ( 0.577 -4.228 -0.889) 4.359 7.962 ( 2.744 -2.392 -0.396) 3.662 7.980 ( -2.537 1.483 1.441) 3.273 8.073 ( -2.393 -1.172 1.491) 3.053 8.114 ( -0.082 -1.206 -3.319) 3.532 8.130 ( 1.638 0.133 2.523) 3.011 8.215 ( 1.981 3.722 4.520) 6.181 8.234 ( 3.081 -1.674 -1.587) 3.848 8.291 ( -1.679 -0.706 1.575) 2.408 8.352 ( 0.109 1.769 0.880) 1.979 8.379 ( 1.856 1.447 -3.360) 4.102 8.419 ( -0.034 -0.709 -0.924) 1.165 8.475 ( 3.576 0.459 0.138) 3.608 8.496 ( -2.243 -0.740 -4.663) 5.227 8.567 ( -2.016 -3.059 3.411) 5.006 8.619 ( -3.827 0.244 3.864) 5.444 8.656 ( -0.579 -3.394 2.120) 4.044 8.690 ( -1.142 -2.864 -2.291) 3.841 8.777 ( -1.616 -1.224 -2.147) 2.953 8.824 ( -2.222 0.899 0.698) 2.496 8.870 ( 3.577 2.741 -1.460) 4.737 8.918 ( 1.356 -2.263 3.053) 4.035 8.952 ( 0.465 -0.293 1.891) 1.969 9.005 ( -0.218 0.396 -3.489) 3.518 9.097 ( 7.039 -1.602 -4.096) 8.300 9.149 ( -2.710 -1.193 -1.919) 3.529 9.174 ( -1.968 -1.087 -2.333) 3.240 9.224 ( 0.487 -2.225 2.288) 3.229 9.234 ( -0.104 -3.662 0.704) 3.731 9.264 ( 0.835 1.078 -3.258) 3.532 9.301 ( 0.355 -0.033 -1.964) 1.996 9.447 ( 1.042 0.393 0.941) 1.458 9.514 ( 3.497 -0.185 0.036) 3.502 9.583 ( 4.104 1.323 -1.943) 4.729 9.723 ( -0.462 -1.679 1.684) 2.423 9.757 ( 3.832 -3.054 1.750) 5.203 9.805 ( -1.314 -1.177 1.864) 2.567 9.907 ( 4.173 -5.912 1.311) 7.354 9.998 ( -2.789 0.347 2.544) 3.791 10.096 ( -1.829 -1.210 1.138) 2.471 10.152 ( 0.273 2.174 -0.581) 2.267 10.246 ( -1.604 0.321 -0.054) 1.637 10.553 ( -3.984 4.422 -2.964) 6.649 10.691 ( 2.643 -0.248 -1.163) 2.898 10.725 ( 2.339 4.451 1.792) 5.338 10.932 ( -2.245 -1.646 -1.407) 3.120 11.126 ( 0.514 0.640 2.525) 2.655 11.178 ( -3.337 -0.287 -0.890) 3.466 11.365 ( 0.276 0.768 1.174) 1.430 11.397 ( -2.964 1.830 -0.956) 3.612 11.633 ( 3.339 -0.063 0.305) 3.353 11.694 ( 1.225 -2.968 0.482) 3.247 11.745 ( -0.566 -1.620 -0.763) 1.878 11.778 ( -2.231 -2.375 0.113) 3.261 11.911 ( -0.097 4.074 0.176) 4.079 11.995 ( 1.541 0.731 -0.807) 1.887 12.100 ( -0.145 4.929 -2.335) 5.456 12.157 ( -2.399 -2.164 1.296) 3.481 12.216 ( -0.473 0.230 -0.409) 0.666 12.230 ( 0.602 -1.491 -0.093) 1.610 12.277 ( 0.310 -1.531 3.334) 3.682 12.288 ( 1.956 0.589 2.224) 3.020 12.341 ( -0.049 -0.694 1.759) 1.891 12.460 ( 3.750 -2.965 1.801) 5.109 12.494 ( 1.526 2.534 0.938) 3.103 12.552 ( -1.096 -2.557 -0.412) 2.812 12.586 ( 0.893 1.211 -1.307) 1.993 12.645 ( 3.751 -1.277 -1.052) 4.099 12.712 ( 0.456 -0.198 -3.335) 3.372 12.747 ( -0.595 2.311 -0.404) 2.421 12.806 ( -0.525 1.936 1.191) 2.332 12.889 ( 2.811 -5.974 -2.876) 7.202 12.901 ( -3.262 -0.847 -1.817) 3.829 12.974 ( -0.470 -1.895 -2.764) 3.384 13.011 ( -1.659 -0.788 3.193) 3.684 13.054 ( -0.825 -2.541 -0.515) 2.720 13.084 ( -1.545 1.210 3.724) 4.210 13.174 ( 1.475 0.565 0.274) 1.603 13.196 ( -0.539 -2.853 -1.460) 3.250 13.221 ( 1.050 -2.365 1.028) 2.784 13.293 ( 2.149 0.453 1.732) 2.797 13.391 ( -5.928 -0.166 -2.782) 6.550 13.526 ( 0.027 -0.418 -2.066) 2.109 13.679 ( -1.092 0.812 0.263) 1.386 13.750 ( 0.721 3.235 -0.323) 3.330 13.778 ( 0.301 1.034 6.363) 6.454 13.828 ( 1.136 -2.660 -0.087) 2.894 13.847 ( 1.071 1.421 -1.115) 2.100 13.905 ( 1.886 2.135 -1.155) 3.074 13.969 ( 3.392 2.681 -2.933) 5.224 14.002 ( -1.479 -0.111 5.601) 5.794 14.059 ( 0.944 4.361 0.953) 4.562 14.148 ( -0.472 4.237 0.052) 4.264 14.174 ( -1.038 4.965 -0.702) 5.120 14.218 ( -1.178 4.150 -0.739) 4.377 14.232 ( 1.172 3.539 0.459) 3.756 14.329 ( -1.249 2.019 -2.291) 3.299 14.398 ( -1.289 4.054 -1.047) 4.381 14.482 ( 0.448 -3.837 -0.678) 3.922 14.534 ( -2.172 -0.423 -1.896) 2.914 14.645 ( 2.259 1.255 0.454) 2.624 14.710 ( 0.334 0.240 -1.121) 1.194 14.907 ( 2.223 -2.018 1.250) 3.252 14.942 ( 1.861 2.003 1.771) 3.257 15.032 ( 0.553 -0.898 -2.779) 2.972 15.059 ( -0.005 -4.445 -0.626) 4.489 15.264 ( 2.807 -1.340 2.400) 3.929 15.400 ( -1.479 -4.522 -1.263) 4.922 15.451 ( -1.409 -10.392 -0.311) 10.492 15.531 ( -1.023 0.310 0.569) 1.211 15.759 ( 1.594 -3.363 0.272) 3.731 16.019 ( -2.611 7.367 -2.348) 8.161 16.020 ( -0.978 0.626 -0.859) 1.444 16.355 ( -4.716 -0.883 0.458) 4.820 16.468 ( -0.944 0.768 0.247) 1.242 16.565 ( -3.669 3.770 3.311) 6.216 16.651 ( 0.832 1.213 -5.654) 5.842 16.761 ( -2.413 0.903 1.670) 3.070 16.848 ( 2.245 -3.068 -0.733) 3.872 16.947 ( -0.727 1.047 -3.022) 3.280 17.150 ( -3.183 -6.718 0.903) 7.489 17.214 ( 4.269 1.507 3.604) 5.786 17.247 ( -5.253 -4.914 0.791) 7.236 17.269 ( 0.211 -0.389 3.852) 3.877 17.404 ( -10.029 -0.491 2.182) 10.275 17.442 ( -5.052 -1.194 -5.318) 7.432 17.604 ( 3.898 0.762 -0.582) 4.014 17.650 ( -1.360 -2.608 4.682) 5.529 17.735 ( 2.189 -0.033 -1.944) 2.927 17.817 ( 4.569 -5.397 2.968) 7.668 17.957 ( 6.568 5.911 -2.518) 9.188 18.124 ( -6.744 6.525 -1.338) 9.479 18.243 ( 6.501 2.348 0.538) 6.933 18.301 ( -0.927 8.417 0.544) 8.485 18.347 ( 3.920 0.053 2.240) 4.515 18.441 ( 0.510 -2.072 1.774) 2.774 18.502 ( -0.675 3.507 0.053) 3.572 18.596 ( -6.336 1.139 -8.106) 10.351 18.718 ( 3.560 -0.218 -0.905) 3.680 18.858 ( 0.831 -0.643 -1.093) 1.516 18.934 ( -8.651 -0.286 3.491) 9.334 18.991 ( 0.632 2.844 -1.205) 3.152 19.100 ( 4.424 1.099 -0.579) 4.596 19.357 ( 5.836 -2.858 2.745) 7.055 19.632 ( -14.200 11.670 3.349) 18.683 20.151 ( -1.667 -8.943 -0.479) 9.110 20.658 ( -8.276 5.598 5.785) 11.545 20.793 ( 1.676 1.307 0.470) 2.176 21.316 ( -3.304 3.510 -0.173) 4.824 21.568 ( 0.450 -1.878 1.192) 2.270 22.493 ( 0.089 -0.194 0.351) 0.411 22.555 ( 2.995 -2.103 -6.625) 7.569 ======================= Grid point 7 (6/39) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.480 ( 24.254 11.177 8.545) 28.039 1.564 ( 21.091 13.701 9.278) 26.807 1.892 ( 0.778 1.335 -1.968) 2.502 1.933 ( -13.600 1.790 -5.486) 14.773 2.032 ( -1.470 0.208 -1.951) 2.452 2.073 ( 5.242 1.588 4.039) 6.805 2.118 ( -2.886 -1.298 -3.960) 5.069 2.258 ( -13.844 1.843 -6.323) 15.330 2.371 ( -3.233 -2.606 -3.231) 5.262 2.604 ( 2.796 10.540 0.559) 10.919 2.730 ( 1.612 -2.679 0.328) 3.143 2.792 ( 2.179 -0.346 0.011) 2.206 2.910 ( 3.724 -8.605 0.741) 9.405 3.013 ( 16.290 5.393 -4.380) 17.709 3.106 ( 3.500 0.598 1.713) 3.943 3.196 ( -1.730 -2.807 1.536) 3.637 3.270 ( 3.944 -2.688 4.013) 6.236 3.290 ( -0.299 -4.342 -0.072) 4.353 3.344 ( -0.994 -6.843 -3.493) 7.747 3.427 ( 0.640 3.556 0.148) 3.617 3.473 ( 3.102 -0.054 6.212) 6.943 3.585 ( -7.937 4.452 2.797) 9.520 3.699 ( -1.991 3.704 -2.388) 4.836 3.735 ( 0.239 2.749 1.525) 3.153 3.771 ( -1.323 1.907 1.319) 2.670 3.966 ( -4.352 3.350 -1.937) 5.824 3.986 ( -3.118 -1.634 0.328) 3.536 4.039 ( -1.609 4.172 -5.155) 6.824 4.079 ( -2.106 -0.351 0.159) 2.141 4.159 ( -4.318 0.335 1.448) 4.567 4.221 ( 0.949 -2.037 7.654) 7.977 4.250 ( 0.086 0.279 -5.016) 5.025 4.344 ( 1.048 -2.030 0.757) 2.407 4.382 ( -6.600 6.044 0.812) 8.986 4.406 ( 2.463 -5.283 0.549) 5.855 4.512 ( -2.028 -1.768 4.776) 5.482 4.569 ( -1.066 9.149 -1.940) 9.413 4.696 ( 3.919 4.980 -1.478) 6.508 4.759 ( -5.110 -1.919 0.819) 5.520 4.922 ( -0.250 -3.940 -1.541) 4.238 4.972 ( -4.888 2.689 -2.133) 5.973 5.112 ( 3.341 -1.741 -1.362) 4.006 5.160 ( 0.457 -1.488 -0.490) 1.632 5.365 ( 2.030 -1.575 5.519) 6.087 5.453 ( 1.191 0.894 -1.024) 1.807 5.537 ( -8.679 -2.916 -4.835) 10.354 5.618 ( 2.586 -3.054 -1.115) 4.154 5.725 ( 4.504 1.553 0.095) 4.765 5.830 ( 0.114 -0.892 0.559) 1.059 5.863 ( -2.068 -1.586 -1.739) 3.133 5.920 ( -3.304 2.592 0.928) 4.301 6.026 ( 0.096 -2.045 1.505) 2.541 6.126 ( 0.467 4.951 0.230) 4.979 6.139 ( 0.198 0.263 -2.328) 2.351 6.192 ( 1.766 4.022 1.264) 4.571 6.221 ( 2.905 4.216 1.945) 5.478 6.295 ( -2.392 5.027 -1.729) 5.829 6.381 ( -1.550 2.351 1.165) 3.048 6.399 ( -0.878 -1.871 -1.324) 2.455 6.420 ( -0.665 5.111 -1.524) 5.374 6.511 ( -0.762 -4.055 -0.585) 4.167 6.608 ( 0.475 3.080 0.470) 3.151 6.612 ( -0.601 1.339 0.749) 1.648 6.628 ( 1.362 1.459 0.347) 2.026 6.698 ( -0.058 1.954 -2.756) 3.380 6.755 ( -0.292 4.444 2.109) 4.928 6.771 ( 1.043 -0.453 -1.862) 2.182 6.831 ( -0.047 4.013 1.682) 4.351 6.906 ( -1.991 -1.267 1.202) 2.648 6.956 ( 0.346 1.239 0.860) 1.548 6.977 ( -2.612 -0.231 -1.780) 3.170 7.023 ( -0.456 0.036 1.312) 1.390 7.143 ( 0.491 4.179 3.397) 5.408 7.149 ( 4.090 -1.240 -1.804) 4.639 7.212 ( 1.381 -2.816 1.740) 3.586 7.259 ( 2.186 1.660 -1.367) 3.066 7.294 ( 2.603 0.499 1.090) 2.866 7.346 ( 1.823 -2.284 -2.567) 3.890 7.397 ( -0.634 -2.178 3.132) 3.867 7.450 ( -2.787 -5.103 -1.873) 6.108 7.504 ( -0.373 -2.649 -1.470) 3.052 7.517 ( -3.514 0.011 1.693) 3.901 7.575 ( -1.112 -4.433 0.382) 4.586 7.626 ( 0.611 1.786 -3.698) 4.151 7.677 ( 0.605 -0.912 2.840) 3.044 7.734 ( -2.142 -2.850 -1.484) 3.862 7.785 ( -2.703 0.055 0.571) 2.763 7.831 ( 0.880 -3.664 0.399) 3.789 7.923 ( -0.432 -4.100 0.530) 4.157 7.958 ( 0.656 2.609 -1.282) 2.980 8.023 ( 2.440 -2.460 -0.459) 3.495 8.055 ( 0.696 -2.181 -0.784) 2.420 8.090 ( -2.050 -0.295 0.810) 2.223 8.220 ( 4.368 -0.222 6.461) 7.802 8.229 ( -1.997 -2.718 0.640) 3.433 8.280 ( 2.041 -0.501 -3.928) 4.455 8.298 ( 0.659 0.845 4.128) 4.265 8.353 ( -0.548 2.592 0.613) 2.719 8.386 ( -0.635 0.541 -2.826) 2.947 8.414 ( -0.015 1.272 -1.283) 1.807 8.466 ( 2.299 1.746 -2.659) 3.925 8.493 ( -0.993 2.433 -0.917) 2.783 8.529 ( -4.090 -1.285 -0.785) 4.359 8.574 ( 0.133 -0.744 5.097) 5.152 8.647 ( -0.186 -1.821 4.051) 4.446 8.714 ( -1.634 -5.162 -8.197) 9.824 8.732 ( 1.327 -4.274 2.387) 5.072 8.816 ( -0.180 2.450 2.061) 3.207 8.887 ( 0.879 3.153 -2.533) 4.139 8.937 ( 0.050 -1.729 2.835) 3.321 8.963 ( -1.263 -3.721 -1.501) 4.207 9.026 ( 4.049 -1.623 -0.924) 4.459 9.059 ( -2.342 -3.560 -3.584) 5.568 9.147 ( 0.153 -2.496 -0.488) 2.548 9.174 ( -1.086 -1.302 -0.715) 1.840 9.181 ( -2.903 -2.427 0.559) 3.825 9.264 ( 4.551 -0.648 -5.815) 7.413 9.289 ( -0.933 1.897 4.438) 4.916 9.348 ( 4.774 2.296 0.040) 5.298 9.439 ( -2.769 -0.972 1.735) 3.409 9.586 ( 3.083 3.967 -0.974) 5.118 9.614 ( 0.748 0.506 -0.712) 1.150 9.708 ( -1.440 -1.516 1.449) 2.544 9.803 ( 0.889 -1.517 0.544) 1.841 9.838 ( 2.542 -2.540 2.626) 4.451 9.913 ( -2.102 -1.875 -0.956) 2.974 10.017 ( 2.222 -1.242 1.101) 2.774 10.064 ( -1.703 -1.032 0.542) 2.064 10.152 ( 0.589 0.830 0.353) 1.077 10.206 ( -2.383 0.515 -0.761) 2.554 10.479 ( -2.149 4.613 -1.342) 5.263 10.722 ( 0.938 -1.616 0.154) 1.875 10.785 ( 2.615 3.406 0.976) 4.404 10.880 ( -2.257 -0.152 -1.236) 2.578 11.119 ( -1.710 1.247 -0.926) 2.310 11.151 ( 0.565 -0.189 1.764) 1.862 11.331 ( -2.050 1.792 -1.070) 2.925 11.384 ( 0.302 0.121 0.693) 0.765 11.682 ( 1.202 -1.735 0.497) 2.168 11.721 ( 1.150 -1.969 0.147) 2.285 11.730 ( -0.298 -3.046 -0.835) 3.172 11.747 ( -1.040 -2.120 0.432) 2.401 11.915 ( 0.327 4.104 -0.013) 4.117 12.018 ( 1.116 0.144 -0.806) 1.384 12.069 ( -1.566 2.098 0.056) 2.619 12.136 ( -0.557 1.899 0.266) 1.997 12.201 ( -0.417 1.138 -0.592) 1.349 12.244 ( 0.566 -1.288 0.081) 1.409 12.290 ( -0.185 -0.136 1.352) 1.371 12.319 ( 0.414 -1.159 0.840) 1.490 12.374 ( 2.001 0.912 1.208) 2.509 12.486 ( -1.864 -1.457 -0.161) 2.372 12.538 ( 2.857 -0.132 2.397) 3.731 12.568 ( 1.758 -2.683 0.513) 3.248 12.598 ( 1.181 -0.016 -2.107) 2.416 12.672 ( 0.469 0.747 -0.630) 1.084 12.704 ( -1.087 1.452 -0.207) 1.825 12.740 ( 1.086 1.885 -2.514) 3.325 12.797 ( -1.686 3.753 0.614) 4.160 12.830 ( -1.269 2.439 1.077) 2.952 12.871 ( -3.451 0.375 -3.764) 5.121 12.969 ( 1.064 -6.235 0.579) 6.352 13.004 ( 1.031 -6.673 -0.477) 6.769 13.046 ( 0.385 0.965 0.775) 1.296 13.113 ( 1.088 -2.901 2.653) 4.079 13.168 ( -1.498 -5.305 -1.776) 5.791 13.188 ( -0.698 -1.470 -0.333) 1.661 13.221 ( -1.464 0.028 0.971) 1.757 13.320 ( 0.634 -3.500 -0.236) 3.565 13.339 ( 0.903 -0.467 -0.326) 1.067 13.528 ( 0.178 -1.972 -0.441) 2.028 13.668 ( -0.117 -1.680 0.018) 1.684 13.748 ( -0.265 4.051 -0.142) 4.062 13.809 ( 0.202 4.395 3.700) 5.749 13.840 ( 0.245 -1.730 0.928) 1.978 13.861 ( 0.713 2.066 -3.268) 3.932 13.934 ( 1.220 1.546 0.617) 2.063 13.995 ( -1.183 -0.182 2.895) 3.132 14.022 ( 2.719 4.512 -2.015) 5.640 14.078 ( -0.037 4.661 1.556) 4.914 14.121 ( -2.208 1.453 -0.483) 2.687 14.151 ( 0.858 4.135 -0.066) 4.223 14.220 ( 0.012 5.972 0.909) 6.041 14.255 ( 1.063 1.401 -0.321) 1.788 14.312 ( -0.122 6.930 -0.838) 6.981 14.365 ( -1.213 4.427 -0.627) 4.633 14.420 ( -2.822 -1.781 -2.928) 4.440 14.541 ( 0.703 -3.940 0.874) 4.097 14.658 ( 0.195 1.391 -1.011) 1.731 14.750 ( 2.195 2.776 0.224) 3.546 14.933 ( 0.156 -5.786 1.419) 5.960 14.982 ( 1.142 0.220 1.197) 1.669 15.026 ( 0.528 0.766 -2.773) 2.925 15.049 ( -0.597 -2.744 -0.369) 2.832 15.292 ( -0.454 -4.832 1.493) 5.078 15.383 ( 1.241 0.392 -2.813) 3.099 15.436 ( -2.356 -3.523 3.764) 5.669 15.524 ( 0.909 -8.056 -1.086) 8.179 15.785 ( 0.827 -2.633 0.141) 2.764 15.967 ( -1.202 0.119 -0.814) 1.457 16.018 ( 0.437 6.147 -1.092) 6.258 16.283 ( -2.900 -1.653 0.704) 3.411 16.417 ( -2.154 3.255 0.364) 3.920 16.552 ( 0.498 6.800 0.136) 6.819 16.659 ( 0.865 0.717 -1.200) 1.644 16.781 ( 1.696 -4.056 0.188) 4.400 16.914 ( 5.050 -2.401 1.711) 5.847 16.945 ( 1.011 0.283 -0.759) 1.295 17.064 ( -6.861 -6.526 0.231) 9.472 17.120 ( -3.703 -6.073 -0.705) 7.148 17.225 ( -4.161 -1.088 4.002) 5.874 17.265 ( -3.201 -1.775 -5.142) 6.312 17.354 ( 0.322 -1.952 0.103) 1.981 17.423 ( 6.120 -0.078 4.917) 7.851 17.605 ( -1.027 0.790 -0.957) 1.611 17.728 ( 3.015 -0.639 1.270) 3.333 17.751 ( 0.344 3.940 -2.895) 4.901 17.888 ( 0.798 -1.191 0.538) 1.531 18.026 ( 3.504 6.600 -3.071) 8.080 18.067 ( -0.295 3.663 3.571) 5.125 18.223 ( -3.091 4.326 0.484) 5.339 18.354 ( 1.514 0.793 0.692) 1.844 18.366 ( -0.798 2.948 -1.747) 3.519 18.435 ( -3.181 0.219 -0.504) 3.228 18.486 ( 1.387 0.244 -0.781) 1.610 18.553 ( 1.907 6.866 2.341) 7.501 18.714 ( -2.435 -2.966 -1.909) 4.287 18.836 ( -0.142 1.592 -0.697) 1.743 18.870 ( -0.644 -0.323 0.906) 1.158 18.981 ( -0.417 3.748 -1.880) 4.213 19.175 ( 2.187 -1.155 0.643) 2.556 19.443 ( 2.211 -3.141 2.686) 4.688 19.501 ( -3.142 6.994 0.728) 7.702 20.077 ( -3.261 -8.586 -0.897) 9.228 20.588 ( -1.966 5.140 2.167) 5.914 20.838 ( 1.814 -1.481 -0.176) 2.348 21.255 ( -2.270 4.923 0.056) 5.422 21.584 ( 0.464 -2.451 0.555) 2.555 22.499 ( 0.195 -0.532 0.257) 0.622 22.566 ( 0.757 -2.153 -2.172) 3.151 ======================= Grid point 10 (7/39) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.495 ( 0.000 22.834 0.000) 22.834 1.633 ( 0.000 29.322 0.000) 29.322 1.776 ( 0.000 -5.589 0.000) 5.589 2.031 ( 0.000 -3.560 0.000) 3.560 2.045 ( 0.000 3.652 0.000) 3.652 2.095 ( 0.000 8.131 0.000) 8.131 2.187 ( 0.000 -14.207 0.000) 14.207 2.298 ( 0.000 1.306 0.000) 1.306 2.449 ( 0.000 4.424 0.000) 4.424 2.606 ( 0.000 7.716 0.000) 7.716 2.743 ( 0.000 9.233 0.000) 9.233 2.783 ( 0.000 2.090 0.000) 2.090 2.801 ( 0.000 -0.718 0.000) 0.718 2.893 ( 0.000 8.981 0.000) 8.981 3.101 ( 0.000 -9.922 0.000) 9.922 3.187 ( 0.000 -8.229 0.000) 8.229 3.263 ( 0.000 10.677 0.000) 10.677 3.422 ( 0.000 1.050 0.000) 1.050 3.497 ( 0.000 -7.858 0.000) 7.858 3.526 ( 0.000 -1.041 0.000) 1.041 3.589 ( 0.000 -5.334 0.000) 5.334 3.598 ( 0.000 -0.426 0.000) 0.426 3.812 ( 0.000 1.909 0.000) 1.909 3.839 ( 0.000 6.044 0.000) 6.044 3.881 ( 0.000 -3.562 0.000) 3.562 3.898 ( 0.000 -0.060 0.000) 0.060 3.937 ( 0.000 1.396 0.000) 1.396 4.025 ( 0.000 -5.269 0.000) 5.269 4.087 ( 0.000 4.805 0.000) 4.805 4.109 ( 0.000 1.405 0.000) 1.405 4.134 ( 0.000 -1.520 0.000) 1.520 4.145 ( 0.000 -4.221 0.000) 4.221 4.232 ( 0.000 5.620 0.000) 5.620 4.381 ( 0.000 -4.137 0.000) 4.137 4.408 ( 0.000 -1.091 0.000) 1.091 4.471 ( 0.000 2.191 0.000) 2.191 4.566 ( 0.000 -7.855 0.000) 7.855 4.660 ( 0.000 -7.587 0.000) 7.587 4.749 ( 0.000 1.752 0.000) 1.752 4.845 ( 0.000 -7.310 0.000) 7.310 4.989 ( 0.000 7.110 0.000) 7.110 5.209 ( 0.000 -9.978 0.000) 9.978 5.237 ( 0.000 11.379 0.000) 11.379 5.425 ( 0.000 -2.929 0.000) 2.929 5.512 ( 0.000 -0.039 0.000) 0.039 5.519 ( 0.000 -0.437 0.000) 0.437 5.694 ( 0.000 -0.530 0.000) 0.530 5.770 ( 0.000 -4.691 0.000) 4.691 5.828 ( 0.000 0.229 0.000) 0.229 5.862 ( 0.000 -2.092 0.000) 2.092 5.900 ( 0.000 1.864 0.000) 1.864 5.953 ( 0.000 -2.352 0.000) 2.352 6.080 ( 0.000 5.330 0.000) 5.330 6.160 ( 0.000 -0.297 0.000) 0.297 6.274 ( 0.000 2.033 0.000) 2.033 6.321 ( 0.000 -0.521 0.000) 0.521 6.367 ( 0.000 4.687 0.000) 4.687 6.440 ( 0.000 -0.220 0.000) 0.220 6.473 ( 0.000 -0.181 0.000) 0.181 6.522 ( 0.000 -2.011 0.000) 2.011 6.557 ( 0.000 -0.180 0.000) 0.180 6.559 ( 0.000 0.416 0.000) 0.416 6.671 ( 0.000 0.284 0.000) 0.284 6.680 ( 0.000 -1.207 0.000) 1.207 6.747 ( 0.000 0.849 0.000) 0.849 6.786 ( 0.000 -2.166 0.000) 2.166 6.893 ( 0.000 6.808 0.000) 6.808 6.927 ( 0.000 4.369 0.000) 4.369 6.969 ( 0.000 3.028 0.000) 3.028 7.011 ( 0.000 3.365 0.000) 3.365 7.013 ( 0.000 3.106 0.000) 3.106 7.038 ( 0.000 -2.397 0.000) 2.397 7.144 ( 0.000 -0.175 0.000) 0.175 7.148 ( 0.000 -1.821 0.000) 1.821 7.164 ( 0.000 -1.084 0.000) 1.084 7.187 ( 0.000 -2.703 0.000) 2.703 7.216 ( 0.000 4.556 0.000) 4.556 7.220 ( 0.000 6.392 0.000) 6.392 7.394 ( 0.000 -3.933 0.000) 3.933 7.441 ( 0.000 -7.464 0.000) 7.464 7.506 ( 0.000 1.894 0.000) 1.894 7.552 ( 0.000 -3.709 0.000) 3.709 7.590 ( 0.000 2.141 0.000) 2.141 7.611 ( 0.000 0.328 0.000) 0.328 7.697 ( 0.000 0.473 0.000) 0.473 7.700 ( 0.000 -1.743 0.000) 1.743 7.765 ( 0.000 2.837 0.000) 2.837 7.784 ( 0.000 -0.319 0.000) 0.319 7.941 ( 0.000 1.323 0.000) 1.323 7.980 ( 0.000 -0.482 0.000) 0.482 8.009 ( 0.000 -2.183 0.000) 2.183 8.015 ( 0.000 -4.116 0.000) 4.116 8.080 ( 0.000 1.886 0.000) 1.886 8.124 ( 0.000 -2.700 0.000) 2.700 8.215 ( 0.000 -0.745 0.000) 0.745 8.245 ( 0.000 3.103 0.000) 3.103 8.275 ( 0.000 2.313 0.000) 2.313 8.314 ( 0.000 -5.466 0.000) 5.466 8.342 ( 0.000 -0.875 0.000) 0.875 8.403 ( 0.000 -1.778 0.000) 1.778 8.453 ( 0.000 1.465 0.000) 1.465 8.494 ( 0.000 -1.215 0.000) 1.215 8.531 ( 0.000 -1.360 0.000) 1.360 8.537 ( 0.000 -2.524 0.000) 2.524 8.673 ( 0.000 1.526 0.000) 1.526 8.712 ( 0.000 -1.337 0.000) 1.337 8.812 ( 0.000 1.451 0.000) 1.451 8.847 ( 0.000 -1.575 0.000) 1.575 8.881 ( 0.000 1.581 0.000) 1.581 8.929 ( 0.000 4.006 0.000) 4.006 8.949 ( 0.000 -0.141 0.000) 0.141 9.000 ( 0.000 -0.025 0.000) 0.025 9.060 ( 0.000 3.284 0.000) 3.284 9.143 ( 0.000 -2.944 0.000) 2.944 9.182 ( 0.000 -0.595 0.000) 0.595 9.184 ( 0.000 -1.015 0.000) 1.015 9.235 ( 0.000 -0.837 0.000) 0.837 9.259 ( 0.000 0.231 0.000) 0.231 9.266 ( 0.000 -0.494 0.000) 0.494 9.325 ( 0.000 -8.809 0.000) 8.809 9.486 ( 0.000 2.652 0.000) 2.652 9.522 ( 0.000 -0.242 0.000) 0.242 9.672 ( 0.000 0.354 0.000) 0.354 9.691 ( 0.000 -1.206 0.000) 1.206 9.804 ( 0.000 -0.092 0.000) 0.092 9.808 ( 0.000 -0.372 0.000) 0.372 10.026 ( 0.000 0.298 0.000) 0.298 10.056 ( 0.000 -2.548 0.000) 2.548 10.210 ( 0.000 2.761 0.000) 2.761 10.253 ( 0.000 -1.063 0.000) 1.063 10.681 ( 0.000 1.977 0.000) 1.977 10.691 ( 0.000 0.738 0.000) 0.738 10.802 ( 0.000 4.822 0.000) 4.822 10.895 ( 0.000 -3.732 0.000) 3.732 11.142 ( 0.000 1.576 0.000) 1.576 11.179 ( 0.000 -1.745 0.000) 1.745 11.416 ( 0.000 3.079 0.000) 3.079 11.460 ( 0.000 -0.383 0.000) 0.383 11.602 ( 0.000 0.611 0.000) 0.611 11.625 ( 0.000 -1.626 0.000) 1.626 11.732 ( 0.000 -0.328 0.000) 0.328 11.753 ( 0.000 -2.217 0.000) 2.217 11.995 ( 0.000 0.941 0.000) 0.941 12.005 ( 0.000 2.179 0.000) 2.179 12.130 ( 0.000 -0.248 0.000) 0.248 12.160 ( 0.000 0.367 0.000) 0.367 12.191 ( 0.000 -0.555 0.000) 0.555 12.208 ( 0.000 1.391 0.000) 1.391 12.282 ( 0.000 -4.792 0.000) 4.792 12.289 ( 0.000 -0.805 0.000) 0.805 12.315 ( 0.000 2.474 0.000) 2.474 12.327 ( 0.000 0.765 0.000) 0.765 12.528 ( 0.000 -2.287 0.000) 2.287 12.532 ( 0.000 -1.982 0.000) 1.982 12.575 ( 0.000 4.442 0.000) 4.442 12.638 ( 0.000 2.579 0.000) 2.579 12.681 ( 0.000 -6.161 0.000) 6.161 12.681 ( 0.000 -1.558 0.000) 1.558 12.798 ( 0.000 0.928 0.000) 0.928 12.847 ( 0.000 -3.536 0.000) 3.536 12.913 ( 0.000 5.886 0.000) 5.886 13.004 ( 0.000 1.788 0.000) 1.788 13.006 ( 0.000 -1.323 0.000) 1.323 13.077 ( 0.000 -5.851 0.000) 5.851 13.124 ( 0.000 5.036 0.000) 5.036 13.163 ( 0.000 0.898 0.000) 0.898 13.166 ( 0.000 0.363 0.000) 0.363 13.224 ( 0.000 -3.504 0.000) 3.504 13.282 ( 0.000 3.975 0.000) 3.975 13.367 ( 0.000 -3.415 0.000) 3.415 13.669 ( 0.000 0.110 0.000) 0.110 13.685 ( 0.000 -1.321 0.000) 1.321 13.721 ( 0.000 0.120 0.000) 0.120 13.732 ( 0.000 0.521 0.000) 0.521 13.800 ( 0.000 0.686 0.000) 0.686 13.835 ( 0.000 -1.389 0.000) 1.389 13.880 ( 0.000 0.496 0.000) 0.496 13.924 ( 0.000 -3.350 0.000) 3.350 14.077 ( 0.000 7.109 0.000) 7.109 14.140 ( 0.000 1.268 0.000) 1.268 14.236 ( 0.000 3.847 0.000) 3.847 14.295 ( 0.000 0.025 0.000) 0.025 14.318 ( 0.000 2.606 0.000) 2.606 14.342 ( 0.000 -2.122 0.000) 2.122 14.398 ( 0.000 4.314 0.000) 4.314 14.401 ( 0.000 6.246 0.000) 6.246 14.483 ( 0.000 -0.415 0.000) 0.415 14.541 ( 0.000 -4.611 0.000) 4.611 14.678 ( 0.000 6.414 0.000) 6.414 14.732 ( 0.000 6.409 0.000) 6.409 14.833 ( 0.000 -2.955 0.000) 2.955 14.970 ( 0.000 -6.882 0.000) 6.882 14.980 ( 0.000 1.154 0.000) 1.154 15.016 ( 0.000 -1.404 0.000) 1.404 15.201 ( 0.000 1.724 0.000) 1.724 15.270 ( 0.000 -1.905 0.000) 1.905 15.333 ( 0.000 -6.392 0.000) 6.392 15.405 ( 0.000 -8.515 0.000) 8.515 15.789 ( 0.000 6.342 0.000) 6.342 15.941 ( 0.000 -6.633 0.000) 6.633 16.222 ( 0.000 7.036 0.000) 7.036 16.350 ( 0.000 -4.971 0.000) 4.971 16.552 ( 0.000 5.820 0.000) 5.820 16.603 ( 0.000 0.326 0.000) 0.326 16.645 ( 0.000 0.351 0.000) 0.351 16.722 ( 0.000 -5.461 0.000) 5.461 16.841 ( 0.000 3.088 0.000) 3.088 17.004 ( 0.000 -10.371 0.000) 10.371 17.053 ( 0.000 3.988 0.000) 3.988 17.111 ( 0.000 1.085 0.000) 1.085 17.181 ( 0.000 -5.599 0.000) 5.599 17.225 ( 0.000 -6.393 0.000) 6.393 17.374 ( 0.000 2.416 0.000) 2.416 17.445 ( 0.000 -3.246 0.000) 3.246 17.655 ( 0.000 0.817 0.000) 0.817 17.671 ( 0.000 -1.108 0.000) 1.108 17.775 ( 0.000 2.955 0.000) 2.955 17.812 ( 0.000 -0.177 0.000) 0.177 17.949 ( 0.000 6.086 0.000) 6.086 18.071 ( 0.000 -4.944 0.000) 4.944 18.299 ( 0.000 1.899 0.000) 1.899 18.303 ( 0.000 1.404 0.000) 1.404 18.375 ( 0.000 3.295 0.000) 3.295 18.425 ( 0.000 -0.854 0.000) 0.854 18.639 ( 0.000 2.435 0.000) 2.435 18.655 ( 0.000 0.102 0.000) 0.102 18.791 ( 0.000 1.251 0.000) 1.251 18.795 ( 0.000 0.865 0.000) 0.865 19.043 ( 0.000 2.078 0.000) 2.078 19.050 ( 0.000 1.635 0.000) 1.635 19.135 ( 0.000 0.966 0.000) 0.966 19.184 ( 0.000 -2.824 0.000) 2.824 19.956 ( 0.000 1.037 0.000) 1.037 19.998 ( 0.000 -2.817 0.000) 2.817 20.763 ( 0.000 2.112 0.000) 2.112 20.815 ( 0.000 -2.630 0.000) 2.630 21.427 ( 0.000 4.385 0.000) 4.385 21.517 ( 0.000 -3.401 0.000) 3.401 22.504 ( 0.000 -0.176 0.000) 0.176 22.504 ( 0.000 -0.129 0.000) 0.129 ======================= Grid point 11 (8/39) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 9.856 21.725 -0.689) 23.866 1.681 ( 5.467 22.717 0.239) 23.367 1.856 ( 6.791 -1.135 0.530) 6.906 1.975 ( -0.133 0.577 -1.819) 1.913 2.019 ( -1.716 -0.596 -2.888) 3.411 2.103 ( 0.117 3.080 3.335) 4.541 2.174 ( -1.823 -6.455 -4.699) 8.190 2.329 ( 1.158 -5.915 0.133) 6.029 2.476 ( 1.278 -0.091 -1.487) 1.963 2.624 ( -6.401 -9.160 -1.967) 11.347 2.695 ( 0.471 4.451 -1.976) 4.893 2.772 ( -2.175 -0.808 -2.034) 3.086 2.879 ( 6.554 10.966 2.319) 12.984 2.898 ( 5.188 10.445 -3.515) 12.181 3.063 ( -0.414 -5.554 -3.220) 6.433 3.193 ( -4.763 1.540 2.320) 5.517 3.200 ( -0.728 -0.288 -0.279) 0.831 3.323 ( -10.729 -0.018 4.977) 11.827 3.403 ( -1.715 0.801 -0.772) 2.044 3.440 ( -6.834 -5.225 -0.913) 8.651 3.571 ( -0.686 4.983 -0.268) 5.037 3.702 ( -2.061 -4.400 -2.242) 5.351 3.770 ( -0.668 2.742 1.911) 3.409 3.806 ( -0.264 0.333 5.614) 5.630 3.872 ( 1.201 3.997 -3.068) 5.180 3.979 ( -0.495 -0.223 -3.203) 3.248 3.994 ( 3.286 -1.191 -0.442) 3.523 4.042 ( 5.274 0.225 3.127) 6.136 4.074 ( 4.029 -2.696 -3.710) 6.105 4.109 ( 0.517 -1.869 -1.276) 2.321 4.166 ( 0.923 1.617 8.018) 8.231 4.206 ( 0.317 0.391 5.801) 5.823 4.234 ( 1.427 0.352 3.097) 3.428 4.347 ( -4.699 -4.318 -0.044) 6.382 4.476 ( -2.348 3.762 0.575) 4.472 4.504 ( 6.651 0.520 1.481) 6.833 4.596 ( 2.356 -3.730 -0.108) 4.413 4.620 ( 2.139 -8.619 1.875) 9.076 4.770 ( 0.626 0.863 3.345) 3.511 4.831 ( -2.209 -5.160 4.354) 7.103 5.038 ( 3.493 5.780 0.416) 6.767 5.211 ( -2.502 -1.817 3.027) 4.327 5.246 ( 0.161 3.475 -0.139) 3.481 5.372 ( -5.250 1.056 0.139) 5.357 5.471 ( 0.112 -2.467 -3.189) 4.033 5.481 ( -1.799 -1.615 -7.833) 8.198 5.599 ( -5.578 -0.802 -2.278) 6.079 5.679 ( -5.487 -4.866 -0.028) 7.334 5.870 ( 2.218 3.742 -1.800) 4.707 5.919 ( 2.114 2.013 1.117) 3.126 5.958 ( 3.232 -1.747 -1.213) 3.869 5.986 ( 2.348 -0.795 -0.029) 2.479 6.125 ( 4.835 0.994 0.430) 4.954 6.147 ( 0.139 -0.176 -1.207) 1.228 6.253 ( -1.195 4.327 0.702) 4.544 6.298 ( -3.392 2.490 0.305) 4.219 6.363 ( 1.196 1.289 -1.132) 2.092 6.383 ( -3.548 0.266 -3.575) 5.043 6.446 ( -1.623 -1.261 -1.238) 2.399 6.490 ( -2.206 -3.305 -2.121) 4.504 6.532 ( -1.817 2.163 -0.775) 2.929 6.564 ( 1.895 0.093 0.460) 1.952 6.672 ( 0.560 1.610 -1.056) 2.005 6.703 ( -0.147 -2.109 2.611) 3.360 6.784 ( 0.947 3.072 2.758) 4.236 6.820 ( -0.072 3.935 0.758) 4.008 6.890 ( 0.303 4.595 -1.490) 4.840 6.926 ( -4.062 2.005 -0.695) 4.583 6.939 ( 0.055 0.475 0.397) 0.622 6.967 ( -1.014 2.437 -0.246) 2.651 6.991 ( 0.400 -1.154 -2.734) 2.995 7.046 ( -0.210 -0.092 0.126) 0.261 7.100 ( -2.607 1.788 1.019) 3.322 7.124 ( -2.104 5.208 1.209) 5.745 7.148 ( -0.550 -3.927 0.372) 3.983 7.200 ( 2.253 1.046 0.886) 2.637 7.234 ( 1.526 -4.893 0.323) 5.135 7.316 ( 5.012 1.252 -0.625) 5.204 7.364 ( -1.276 -2.853 -1.629) 3.524 7.418 ( -2.483 -1.903 -1.345) 3.405 7.504 ( 0.331 1.493 -1.931) 2.463 7.565 ( 1.718 -3.517 -0.295) 3.926 7.581 ( -3.348 0.276 1.179) 3.561 7.602 ( 0.162 2.043 1.689) 2.655 7.665 ( -3.195 -2.774 -1.757) 4.582 7.695 ( 0.704 -0.569 -2.764) 2.908 7.773 ( -1.175 -0.647 -0.828) 1.577 7.827 ( 1.697 -3.114 0.654) 3.606 7.878 ( -2.593 4.483 4.735) 7.017 7.952 ( -1.156 -1.281 -0.386) 1.768 7.998 ( -1.153 0.612 1.052) 1.677 8.064 ( -1.276 -2.730 3.835) 4.877 8.087 ( 3.133 0.345 -1.363) 3.434 8.116 ( -0.027 -1.019 1.146) 1.534 8.217 ( -0.872 -0.430 2.079) 2.296 8.233 ( 2.896 2.003 -8.072) 8.806 8.277 ( 0.653 -1.103 -2.274) 2.611 8.320 ( -1.062 -5.777 2.314) 6.313 8.376 ( 1.868 0.478 1.821) 2.652 8.417 ( 1.046 -1.599 7.322) 7.568 8.470 ( 0.940 0.867 -1.108) 1.692 8.485 ( 0.730 0.294 -1.443) 1.644 8.518 ( 0.647 0.411 -1.368) 1.568 8.578 ( 1.634 -3.732 1.200) 4.247 8.622 ( -3.691 1.628 0.550) 4.071 8.668 ( -3.622 -1.451 3.236) 5.070 8.775 ( -3.522 1.653 -4.216) 5.737 8.830 ( -2.671 -2.564 1.061) 3.852 8.883 ( 1.582 1.433 -1.145) 2.423 8.925 ( -0.586 -1.681 0.195) 1.791 8.967 ( 1.476 4.830 -0.006) 5.051 9.027 ( -2.151 0.016 1.608) 2.685 9.072 ( 1.224 -0.603 -0.458) 1.440 9.119 ( -4.825 -2.911 -2.503) 6.166 9.173 ( -0.957 0.253 -0.746) 1.239 9.178 ( 0.300 -0.358 -1.647) 1.712 9.187 ( 3.390 1.600 -2.479) 4.495 9.263 ( 2.968 -2.184 -2.748) 4.596 9.303 ( 3.157 0.875 -0.744) 3.360 9.364 ( 3.074 -5.307 0.278) 6.139 9.564 ( 6.207 3.070 -0.910) 6.984 9.603 ( 5.190 -0.115 -0.062) 5.191 9.687 ( -1.049 -0.713 2.630) 2.919 9.699 ( 1.698 -1.741 4.630) 5.230 9.802 ( -0.641 0.227 0.721) 0.991 9.822 ( 1.504 -2.157 0.683) 2.717 10.013 ( -1.421 1.045 2.425) 2.998 10.050 ( -1.065 -2.341 1.829) 3.156 10.202 ( -0.987 2.251 -0.440) 2.497 10.239 ( -1.483 -0.951 -0.452) 1.819 10.637 ( -3.335 3.030 -1.220) 4.668 10.683 ( -0.942 -1.096 0.297) 1.475 10.826 ( 2.165 4.157 -0.511) 4.715 10.893 ( 0.377 -2.107 -1.511) 2.620 11.143 ( -0.208 0.848 0.825) 1.201 11.163 ( -1.452 -0.949 -0.269) 1.755 11.399 ( -1.325 2.028 0.623) 2.501 11.425 ( -2.915 0.180 -0.387) 2.946 11.627 ( 1.723 -0.007 0.456) 1.782 11.644 ( 1.598 -1.509 0.400) 2.234 11.715 ( -1.438 -0.549 -0.586) 1.647 11.731 ( -1.775 -1.805 -0.031) 2.531 11.994 ( -0.076 2.298 0.906) 2.471 12.013 ( 0.774 0.532 -1.014) 1.382 12.127 ( 0.536 1.566 -2.338) 2.865 12.183 ( -0.308 -0.339 0.355) 0.580 12.200 ( 0.810 -0.558 2.093) 2.313 12.210 ( 0.915 0.968 -0.994) 1.662 12.260 ( -0.518 -1.637 -0.455) 1.776 12.292 ( 0.927 -1.847 -0.201) 2.076 12.333 ( 1.044 2.635 2.477) 3.764 12.396 ( 4.050 -2.425 3.785) 6.051 12.501 ( -0.767 0.137 -0.082) 0.784 12.559 ( 1.636 -1.753 1.182) 2.673 12.591 ( 1.230 2.228 -2.929) 3.881 12.660 ( 1.528 1.484 1.632) 2.683 12.694 ( 2.074 -3.383 -0.290) 3.979 12.709 ( 2.204 -1.661 -0.261) 2.773 12.793 ( -0.236 0.728 -1.089) 1.331 12.836 ( -0.434 -2.708 -0.799) 2.857 12.910 ( -0.290 3.087 -3.073) 4.366 12.970 ( -2.417 -0.444 -0.222) 2.467 13.017 ( -3.612 -0.724 0.073) 3.685 13.023 ( -0.540 -0.253 3.480) 3.531 13.120 ( -1.623 2.515 -1.834) 3.511 13.162 ( -0.320 0.096 0.962) 1.018 13.175 ( 0.066 -0.362 0.565) 0.674 13.194 ( -2.020 -1.244 -1.447) 2.779 13.283 ( 0.169 0.347 1.856) 1.896 13.331 ( -3.630 -3.144 -0.429) 4.821 13.563 ( -4.280 2.843 -2.978) 5.939 13.646 ( -4.119 -4.167 -0.726) 5.904 13.732 ( 1.925 -0.144 2.342) 3.035 13.761 ( 1.870 -2.364 0.506) 3.057 13.846 ( 2.022 2.694 -1.531) 3.700 13.891 ( 3.445 -1.451 -3.577) 5.174 13.910 ( 2.771 2.399 3.405) 5.003 13.965 ( 1.946 -2.685 5.002) 6.001 14.080 ( 0.569 5.685 -0.013) 5.713 14.133 ( 0.124 1.011 -1.351) 1.692 14.236 ( 0.192 4.468 -0.089) 4.473 14.265 ( -2.531 2.943 0.653) 3.936 14.314 ( -0.648 1.535 -0.671) 1.796 14.346 ( 0.497 2.520 -1.777) 3.123 14.377 ( -0.818 -2.318 0.578) 2.525 14.434 ( 0.464 -0.085 -0.072) 0.478 14.464 ( 1.137 5.067 -1.226) 5.335 14.577 ( 2.277 0.407 0.172) 2.320 14.664 ( -0.966 6.565 -0.713) 6.674 14.752 ( 2.304 3.494 -1.726) 4.527 14.831 ( -0.264 -2.836 -0.208) 2.855 14.967 ( -0.479 -2.774 -0.793) 2.925 14.995 ( 1.927 -2.234 -0.156) 2.955 15.034 ( 1.071 -1.761 1.378) 2.479 15.164 ( -2.538 -2.709 0.441) 3.738 15.241 ( -3.818 -6.211 -1.929) 7.542 15.345 ( 3.147 0.005 -0.548) 3.194 15.442 ( 1.409 -6.886 2.452) 7.445 15.800 ( 1.032 6.098 0.781) 6.234 15.939 ( -0.207 -5.601 -0.039) 5.605 16.186 ( -2.927 6.096 -1.801) 6.998 16.295 ( -4.560 -4.114 -1.037) 6.228 16.548 ( -1.956 5.585 3.038) 6.653 16.617 ( 1.903 1.420 1.467) 2.791 16.654 ( 2.571 -0.305 -4.713) 5.377 16.698 ( -2.129 -5.191 -0.078) 5.611 16.823 ( 0.393 1.439 -1.964) 2.467 16.914 ( -1.951 -5.250 -4.614) 7.257 17.046 ( -3.750 -0.281 2.715) 4.638 17.109 ( -5.467 -5.322 0.008) 7.630 17.262 ( 8.668 3.230 5.378) 10.700 17.302 ( 0.308 1.257 7.306) 7.420 17.390 ( -2.620 -1.838 -1.116) 3.390 17.399 ( -4.967 -1.717 -0.306) 5.264 17.616 ( -5.414 0.803 1.025) 5.569 17.638 ( -0.020 0.025 -1.319) 1.320 17.714 ( 1.343 -1.807 0.965) 2.450 17.726 ( 3.593 -1.624 -0.819) 4.027 18.094 ( 8.407 6.319 -2.902) 10.910 18.212 ( 8.068 -3.955 -2.142) 9.237 18.247 ( -3.071 4.664 -0.430) 5.601 18.325 ( 0.014 -2.390 1.584) 2.867 18.418 ( -0.489 2.309 1.740) 2.932 18.429 ( 1.659 0.550 2.191) 2.803 18.584 ( -3.016 2.622 -0.627) 4.045 18.610 ( -3.062 0.028 -3.951) 4.998 18.791 ( 2.163 3.945 -0.621) 4.541 18.842 ( 1.998 -1.131 0.122) 2.299 18.960 ( -6.877 2.702 0.104) 7.389 19.013 ( -1.892 -1.038 1.129) 2.436 19.165 ( 3.457 4.323 -1.598) 5.761 19.269 ( 4.605 -4.810 0.631) 6.689 19.819 ( -9.742 6.938 -0.025) 11.960 19.972 ( -4.354 -7.524 -1.190) 8.773 20.741 ( -3.452 2.806 2.242) 4.982 20.789 ( -1.124 -1.486 1.243) 2.240 21.411 ( -1.618 4.819 -0.082) 5.084 21.508 ( -0.633 -3.758 0.632) 3.863 22.495 ( -0.186 0.491 -0.128) 0.540 22.516 ( 0.788 -1.415 -1.625) 2.294 ======================= Grid point 12 (9/39) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.769 ( 8.817 11.340 1.155) 14.411 1.862 ( 7.580 5.627 1.044) 9.497 1.937 ( 2.594 4.232 1.443) 5.170 1.960 ( -2.072 4.129 -4.379) 6.365 2.019 ( 3.094 -1.459 0.767) 3.506 2.096 ( -2.108 -2.569 -2.991) 4.471 2.174 ( 0.503 7.024 3.911) 8.056 2.256 ( -5.263 2.306 -0.088) 5.746 2.416 ( -4.410 4.302 -4.087) 7.393 2.593 ( 2.355 -8.754 3.523) 9.726 2.638 ( -2.766 -8.357 -4.380) 9.832 2.719 ( -1.987 -8.058 -3.509) 9.011 2.880 ( 0.904 3.259 -1.532) 3.713 2.979 ( 1.289 -6.310 -3.831) 7.493 3.068 ( -4.321 4.997 -0.129) 6.607 3.158 ( -2.066 -0.961 -2.160) 3.139 3.167 ( 1.047 2.326 2.710) 3.722 3.297 ( 0.048 -5.081 -1.096) 5.198 3.345 ( -0.343 2.903 4.641) 5.485 3.385 ( 1.872 -1.493 -0.532) 2.452 3.558 ( 0.490 4.998 1.717) 5.308 3.670 ( -0.659 -4.251 1.759) 4.648 3.742 ( -1.361 5.318 -1.648) 5.731 3.780 ( -3.307 1.783 0.995) 3.887 3.920 ( 4.032 7.658 -0.679) 8.681 3.984 ( -0.260 1.924 1.500) 2.454 4.052 ( 2.040 -1.906 -2.439) 3.708 4.063 ( -0.018 -2.507 0.519) 2.561 4.089 ( 1.987 6.812 -3.414) 7.874 4.197 ( -0.744 0.690 5.963) 6.049 4.203 ( -1.448 0.852 4.815) 5.100 4.242 ( -3.159 -1.743 -1.589) 3.943 4.263 ( 5.929 -3.765 3.575) 7.881 4.289 ( 1.850 -3.362 3.122) 4.947 4.436 ( -2.792 -1.437 0.191) 3.146 4.476 ( -3.975 -1.115 -1.022) 4.253 4.678 ( 3.929 2.852 -2.178) 5.321 4.732 ( -1.378 -1.356 2.660) 3.288 4.782 ( 5.425 1.883 -1.199) 5.867 4.827 ( -1.326 -1.901 5.516) 5.983 5.091 ( -1.942 3.222 -2.023) 4.271 5.128 ( -2.201 1.738 0.422) 2.836 5.211 ( -0.964 7.760 2.510) 8.212 5.303 ( 0.600 -1.349 3.449) 3.751 5.423 ( -4.132 -4.130 -6.847) 9.000 5.459 ( -3.066 -6.930 -2.397) 7.948 5.571 ( 5.343 2.178 -2.524) 6.298 5.654 ( 2.174 -4.811 0.090) 5.280 5.873 ( -0.109 3.744 -1.340) 3.978 5.925 ( -1.418 3.365 -1.285) 3.871 5.960 ( -0.157 -2.910 0.500) 2.957 5.971 ( -4.002 -0.140 0.184) 4.009 6.152 ( 0.658 2.569 -0.852) 2.785 6.209 ( 1.732 -0.741 0.883) 2.080 6.258 ( 1.273 3.487 2.481) 4.465 6.277 ( 0.866 2.917 -1.839) 3.555 6.332 ( -0.034 0.502 -1.654) 1.729 6.375 ( -0.331 -1.855 -1.130) 2.197 6.430 ( -1.345 -1.061 -1.022) 1.995 6.470 ( 2.619 -1.830 -0.691) 3.269 6.532 ( 2.791 7.302 0.254) 7.822 6.630 ( 4.136 0.504 0.831) 4.249 6.674 ( -0.866 1.577 1.749) 2.509 6.683 ( -1.814 -0.976 0.527) 2.126 6.739 ( -5.491 1.728 -1.027) 5.847 6.778 ( -2.110 3.538 0.216) 4.125 6.825 ( -4.610 0.661 1.190) 4.807 6.895 ( -0.271 3.748 0.513) 3.792 6.941 ( -1.029 0.077 0.632) 1.210 6.952 ( 1.202 0.265 -1.294) 1.786 7.005 ( -1.701 1.855 -1.694) 3.034 7.021 ( 0.084 2.439 -0.686) 2.535 7.088 ( -0.060 -5.879 -0.523) 5.902 7.135 ( 1.074 0.713 0.732) 1.482 7.162 ( 3.165 -7.342 -0.100) 7.996 7.231 ( -1.234 -4.809 0.131) 4.967 7.282 ( 3.665 2.628 3.514) 5.717 7.327 ( -0.199 -1.780 -0.493) 1.857 7.363 ( -1.153 1.681 -4.331) 4.787 7.403 ( 2.269 0.618 -0.201) 2.361 7.484 ( -2.298 2.021 -1.595) 3.451 7.524 ( -1.447 1.266 0.820) 2.090 7.562 ( -2.696 0.329 -0.838) 2.842 7.600 ( -0.250 -0.219 2.536) 2.558 7.633 ( 1.474 -4.971 -2.100) 5.594 7.686 ( -1.641 -5.451 0.066) 5.693 7.736 ( -1.196 2.790 0.223) 3.044 7.791 ( -1.709 -0.762 0.176) 1.879 7.918 ( 2.166 1.806 0.348) 2.841 7.973 ( 2.255 -2.716 -0.836) 3.628 7.997 ( 0.075 0.038 0.806) 0.811 8.012 ( -2.925 -1.330 1.419) 3.513 8.107 ( -0.989 2.471 0.810) 2.782 8.187 ( 2.241 -2.133 0.605) 3.152 8.189 ( -0.239 -0.149 2.866) 2.880 8.260 ( 2.306 0.333 -4.805) 5.340 8.285 ( 0.730 -4.252 -1.957) 4.737 8.304 ( -0.645 -4.171 0.790) 4.294 8.422 ( 1.374 2.651 3.967) 4.965 8.437 ( -1.390 0.495 -1.405) 2.037 8.475 ( -1.502 -0.290 2.401) 2.847 8.517 ( 2.446 -0.512 1.977) 3.187 8.543 ( 2.368 1.386 2.331) 3.600 8.576 ( -1.487 3.399 1.300) 3.931 8.607 ( 0.106 -3.389 -2.273) 4.082 8.628 ( -1.084 -0.752 1.027) 1.672 8.704 ( -1.977 0.937 -1.811) 2.841 8.801 ( -0.395 -6.292 -1.558) 6.494 8.903 ( 0.981 2.194 0.411) 2.438 8.917 ( -0.379 0.023 0.422) 0.568 8.955 ( -0.386 1.653 -2.801) 3.275 8.984 ( -1.613 -1.184 0.479) 2.057 9.023 ( -2.489 0.093 -2.340) 3.417 9.075 ( -0.926 -3.960 0.326) 4.080 9.148 ( -0.953 -0.635 -3.281) 3.475 9.151 ( -1.339 -1.103 1.001) 2.003 9.285 ( 5.927 2.267 -3.906) 7.452 9.313 ( 1.559 0.029 0.921) 1.812 9.370 ( 2.257 1.015 0.052) 2.475 9.412 ( 1.143 -1.969 1.500) 2.726 9.616 ( 0.346 1.153 -0.926) 1.519 9.651 ( 0.104 -1.869 0.698) 1.998 9.703 ( 1.452 3.846 2.132) 4.631 9.768 ( 1.482 -2.026 1.582) 2.967 9.807 ( 1.650 0.064 1.739) 2.398 9.848 ( 0.366 -3.201 0.314) 3.237 10.018 ( 0.905 0.685 1.597) 1.959 10.039 ( -0.714 -1.188 0.908) 1.657 10.168 ( -1.600 0.925 -0.683) 1.970 10.193 ( -2.620 -1.209 -0.863) 3.012 10.581 ( -1.646 4.433 -0.629) 4.771 10.667 ( -0.614 -3.369 0.110) 3.426 10.864 ( 1.807 2.945 -0.101) 3.457 10.891 ( -0.142 0.382 -0.982) 1.063 11.136 ( -0.862 0.412 -0.334) 1.013 11.143 ( -0.136 -0.396 0.608) 0.738 11.374 ( -1.549 1.554 -0.251) 2.208 11.388 ( -0.516 0.064 0.365) 0.635 11.651 ( 0.560 -0.441 0.299) 0.773 11.672 ( 0.808 -2.108 0.244) 2.270 11.687 ( -0.881 -0.449 -0.347) 1.048 11.706 ( -0.688 -1.739 0.067) 1.872 11.998 ( 0.125 2.789 0.197) 2.799 12.024 ( 0.620 0.057 -0.368) 0.723 12.116 ( -0.561 2.965 -0.585) 3.074 12.183 ( 0.675 -1.206 -2.211) 2.607 12.193 ( -1.081 0.856 1.369) 1.943 12.236 ( 1.072 0.208 0.581) 1.237 12.249 ( -0.609 -1.016 0.046) 1.185 12.320 ( 0.881 -2.881 0.334) 3.031 12.376 ( 2.298 1.831 2.601) 3.924 12.441 ( -1.266 -1.848 -0.046) 2.241 12.528 ( 3.410 0.946 2.025) 4.077 12.581 ( -0.547 -0.946 -3.102) 3.289 12.605 ( 1.762 2.653 0.883) 3.305 12.696 ( 0.715 -3.232 0.812) 3.408 12.734 ( 1.833 1.826 1.251) 2.874 12.748 ( 1.664 0.308 0.141) 1.698 12.776 ( -0.999 0.571 -1.477) 1.872 12.827 ( -0.156 -2.725 -0.931) 2.884 12.891 ( 0.683 -0.453 -1.189) 1.444 12.919 ( -1.847 -1.301 -2.989) 3.746 12.954 ( -3.584 2.617 1.685) 4.747 13.022 ( -1.052 -2.714 3.049) 4.215 13.093 ( -0.112 0.713 -1.432) 1.604 13.111 ( -2.044 -0.301 -2.473) 3.223 13.170 ( -0.558 0.732 1.603) 1.849 13.202 ( 0.559 -1.793 1.250) 2.256 13.263 ( -2.247 -0.316 -0.305) 2.290 13.296 ( 0.275 -2.611 -0.081) 2.627 13.512 ( -0.773 1.217 -0.864) 1.681 13.589 ( -1.501 -5.018 -0.520) 5.263 13.781 ( 1.733 -0.053 2.091) 2.717 13.799 ( 1.086 -1.266 0.161) 1.676 13.856 ( 0.685 2.166 -1.371) 2.653 13.904 ( -0.002 -1.199 -2.652) 2.911 13.967 ( 1.277 2.163 2.598) 3.614 13.993 ( -1.132 -0.277 2.540) 2.795 14.105 ( 2.025 3.023 -0.014) 3.639 14.148 ( 1.259 0.274 -0.209) 1.305 14.212 ( -2.513 5.585 -0.120) 6.126 14.265 ( 2.693 5.044 -0.137) 5.719 14.296 ( -0.756 1.466 -0.455) 1.711 14.332 ( -1.560 2.643 -1.338) 3.348 14.368 ( 0.101 -1.954 0.105) 1.960 14.430 ( -0.471 -4.327 -0.267) 4.361 14.492 ( 1.170 8.203 -0.217) 8.289 14.609 ( 0.774 11.548 0.866) 11.606 14.647 ( -0.229 -0.319 -0.995) 1.070 14.793 ( 2.597 0.369 -1.406) 2.977 14.822 ( -0.943 -1.641 0.560) 1.973 14.944 ( -1.069 -0.486 -0.934) 1.501 15.037 ( 1.989 -3.603 -0.202) 4.121 15.052 ( 0.184 -5.424 0.740) 5.477 15.138 ( -0.614 -4.679 1.009) 4.826 15.165 ( -2.675 -6.039 -1.213) 6.716 15.400 ( 2.347 0.478 -0.671) 2.488 15.460 ( -0.335 -4.128 1.422) 4.379 15.829 ( 1.105 5.442 0.977) 5.638 15.933 ( -0.317 -3.281 -0.306) 3.311 16.128 ( -1.752 4.319 -1.115) 4.793 16.220 ( -2.338 -3.938 -0.469) 4.604 16.526 ( -0.895 6.447 0.855) 6.564 16.663 ( -0.368 -0.457 5.474) 5.505 16.669 ( 1.364 -1.211 -4.896) 5.225 16.686 ( 1.746 -0.485 -1.300) 2.231 16.859 ( 3.808 -1.085 -0.225) 3.965 16.908 ( 1.366 -4.770 0.265) 4.969 16.970 ( -3.945 0.208 0.105) 3.952 17.008 ( -4.655 -3.352 -0.894) 5.805 17.223 ( -6.108 0.555 1.111) 6.233 17.239 ( -5.186 -0.911 -1.559) 5.491 17.347 ( -1.073 1.371 0.119) 1.745 17.397 ( 1.126 -2.438 2.716) 3.820 17.636 ( 3.077 2.183 0.820) 3.861 17.687 ( 2.828 -2.186 0.778) 3.658 17.810 ( 5.568 1.448 -0.970) 5.834 17.845 ( 6.269 -2.042 1.830) 6.843 18.180 ( 2.726 6.510 -2.453) 7.472 18.187 ( -1.946 6.151 1.168) 6.556 18.266 ( -3.421 -0.888 -0.375) 3.554 18.327 ( -0.567 -5.024 0.071) 5.056 18.363 ( -0.817 0.603 -0.154) 1.027 18.402 ( -4.240 -1.723 -0.089) 4.577 18.564 ( 1.210 4.602 -0.823) 4.829 18.626 ( 3.146 -1.142 -0.758) 3.431 18.822 ( 0.268 7.287 1.238) 7.396 18.863 ( -0.095 -0.427 1.444) 1.509 18.869 ( -1.562 3.237 -1.756) 4.000 18.990 ( -0.767 -3.170 -0.479) 3.296 19.205 ( 1.260 4.155 -0.686) 4.396 19.329 ( 1.565 -6.284 0.409) 6.489 19.681 ( -4.199 8.759 0.472) 9.725 19.878 ( -3.479 -9.268 -0.781) 9.930 20.696 ( -1.698 4.594 1.312) 5.070 20.784 ( -0.224 -3.405 0.442) 3.441 21.383 ( -0.953 6.211 0.030) 6.284 21.505 ( -0.004 -4.761 0.228) 4.766 22.494 ( 0.047 0.346 -0.045) 0.352 22.519 ( 0.214 -1.865 -0.745) 2.020 ======================= Grid point 25 (10/39) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.725 ( -3.712 0.000 34.773) 34.971 0.799 ( 7.165 0.000 38.749) 39.406 1.240 ( 2.603 0.000 57.642) 57.700 1.771 ( -0.915 0.000 -0.949) 1.318 1.846 ( 2.501 0.000 -1.956) 3.175 2.021 ( 0.050 0.000 -4.395) 4.396 2.112 ( 0.818 0.000 3.649) 3.740 2.401 ( -9.251 0.000 -0.711) 9.278 2.451 ( -0.688 0.000 -5.015) 5.062 2.597 ( -5.802 0.000 -2.356) 6.262 2.655 ( 1.533 0.000 -8.919) 9.050 2.703 ( 2.338 0.000 1.180) 2.619 2.741 ( 0.843 0.000 4.457) 4.536 2.919 ( 3.393 0.000 0.950) 3.523 3.106 ( 3.384 0.000 -10.344) 10.883 3.261 ( 2.611 0.000 -5.500) 6.088 3.269 ( 0.359 0.000 -7.215) 7.224 3.357 ( -1.321 0.000 3.740) 3.966 3.379 ( 0.076 0.000 1.610) 1.612 3.608 ( 3.892 0.000 -0.891) 3.992 3.644 ( 3.605 0.000 2.699) 4.504 3.721 ( -4.056 0.000 -2.367) 4.696 3.782 ( -9.322 0.000 0.806) 9.357 3.788 ( 0.115 0.000 1.670) 1.674 3.830 ( -7.671 0.000 -5.080) 9.201 3.981 ( 1.623 0.000 0.352) 1.661 3.991 ( -0.252 0.000 7.684) 7.688 4.009 ( 5.154 0.000 -1.140) 5.279 4.082 ( -2.105 0.000 -0.166) 2.112 4.142 ( 0.391 0.000 0.521) 0.652 4.184 ( 7.816 0.000 -0.718) 7.849 4.210 ( -0.673 0.000 -0.089) 0.679 4.235 ( -2.591 0.000 2.801) 3.815 4.357 ( 2.279 0.000 -4.623) 5.154 4.487 ( 7.002 0.000 -1.481) 7.157 4.561 ( 1.948 0.000 7.703) 7.945 4.690 ( 0.561 0.000 -4.375) 4.410 4.760 ( 4.497 0.000 -4.805) 6.581 5.007 ( -5.124 0.000 -7.674) 9.227 5.065 ( 6.209 0.000 -15.430) 16.632 5.088 ( -3.982 0.000 -0.105) 3.984 5.168 ( -4.507 0.000 -0.800) 4.577 5.248 ( -0.783 0.000 0.534) 0.948 5.486 ( -4.914 0.000 4.703) 6.801 5.491 ( 1.063 0.000 0.906) 1.397 5.585 ( -4.659 0.000 -0.258) 4.666 5.621 ( -3.195 0.000 5.895) 6.705 5.678 ( 4.289 0.000 -6.047) 7.414 5.822 ( -0.285 0.000 -4.462) 4.471 5.914 ( -0.341 0.000 -3.324) 3.342 5.948 ( 3.618 0.000 2.060) 4.163 6.093 ( -1.273 0.000 8.834) 8.926 6.105 ( 0.588 0.000 5.921) 5.950 6.177 ( 0.674 0.000 5.194) 5.238 6.190 ( -2.804 0.000 3.899) 4.803 6.199 ( -6.552 0.000 -3.907) 7.628 6.232 ( -3.011 0.000 5.371) 6.157 6.391 ( 7.935 0.000 2.924) 8.457 6.440 ( -4.330 0.000 -3.441) 5.531 6.516 ( 2.998 0.000 -3.085) 4.302 6.583 ( 0.605 0.000 1.790) 1.889 6.585 ( -4.485 0.000 3.604) 5.753 6.609 ( 0.217 0.000 -0.574) 0.613 6.668 ( -3.063 0.000 -7.686) 8.274 6.697 ( -0.005 0.000 6.967) 6.967 6.731 ( -3.769 0.000 1.203) 3.956 6.779 ( 2.313 0.000 2.713) 3.565 6.838 ( 0.402 0.000 3.705) 3.727 6.936 ( 8.310 0.000 3.439) 8.993 6.952 ( -7.863 0.000 -1.974) 8.107 7.001 ( 9.190 0.000 -2.789) 9.604 7.005 ( -2.136 0.000 -0.976) 2.349 7.125 ( -3.982 0.000 3.653) 5.404 7.153 ( -2.279 0.000 4.733) 5.253 7.206 ( -0.168 0.000 2.660) 2.665 7.238 ( -1.888 0.000 4.073) 4.490 7.302 ( -0.399 0.000 -0.750) 0.850 7.349 ( -4.094 0.000 0.284) 4.104 7.378 ( 2.429 0.000 -0.446) 2.470 7.399 ( 5.801 0.000 3.891) 6.985 7.527 ( 6.348 0.000 -0.892) 6.411 7.543 ( 1.281 0.000 -2.281) 2.616 7.576 ( 5.678 0.000 -3.528) 6.685 7.639 ( -3.652 0.000 -1.609) 3.991 7.685 ( -0.570 0.000 -0.941) 1.100 7.766 ( -0.832 0.000 -5.608) 5.670 7.826 ( -0.236 0.000 -3.389) 3.397 7.853 ( -0.883 0.000 4.214) 4.305 7.929 ( 3.196 0.000 -0.881) 3.315 7.939 ( 0.874 0.000 0.217) 0.900 8.036 ( 3.403 0.000 -0.472) 3.435 8.061 ( -0.228 0.000 -2.874) 2.883 8.090 ( -1.134 0.000 3.919) 4.080 8.110 ( -2.523 0.000 1.670) 3.026 8.126 ( 1.003 0.000 -6.299) 6.379 8.216 ( -0.567 0.000 -3.291) 3.339 8.267 ( 3.474 0.000 -5.140) 6.203 8.311 ( -0.693 0.000 8.852) 8.879 8.352 ( -0.469 0.000 0.339) 0.579 8.385 ( -0.371 0.000 -7.260) 7.270 8.474 ( 3.581 0.000 -10.554) 11.145 8.518 ( -3.105 0.000 -1.912) 3.647 8.530 ( -6.858 0.000 3.949) 7.914 8.608 ( 1.986 0.000 -6.903) 7.183 8.638 ( 2.459 0.000 -1.432) 2.846 8.731 ( 5.249 0.000 -1.463) 5.449 8.757 ( -1.290 0.000 2.191) 2.542 8.849 ( 1.041 0.000 -0.094) 1.045 8.853 ( -5.493 0.000 -4.463) 7.078 8.938 ( 3.344 0.000 -3.217) 4.641 8.977 ( 8.878 0.000 -0.836) 8.917 8.996 ( 1.097 0.000 8.802) 8.870 9.076 ( -8.727 0.000 5.220) 10.169 9.150 ( -3.993 0.000 2.490) 4.706 9.190 ( -2.947 0.000 -1.159) 3.167 9.212 ( 4.996 0.000 -1.585) 5.242 9.274 ( 1.973 0.000 1.151) 2.284 9.302 ( -1.114 0.000 0.081) 1.117 9.340 ( -4.960 0.000 -0.584) 4.994 9.437 ( 0.593 0.000 2.157) 2.237 9.490 ( 4.362 0.000 0.622) 4.406 9.655 ( -0.737 0.000 -5.379) 5.429 9.663 ( -5.785 0.000 3.744) 6.891 9.772 ( -0.603 0.000 -2.129) 2.212 9.850 ( -0.218 0.000 -4.090) 4.095 9.991 ( 0.317 0.000 -3.596) 3.610 10.004 ( 4.028 0.000 4.910) 6.351 10.112 ( 1.676 0.000 2.225) 2.786 10.167 ( -1.406 0.000 3.039) 3.349 10.238 ( -1.045 0.000 0.533) 1.173 10.532 ( -3.184 0.000 -0.934) 3.318 10.566 ( -0.051 0.000 -0.779) 0.780 10.697 ( 2.522 0.000 6.222) 6.713 10.966 ( -1.398 0.000 -1.724) 2.219 11.241 ( -3.884 0.000 0.600) 3.930 11.359 ( 3.230 0.000 1.750) 3.674 11.366 ( 1.222 0.000 -0.946) 1.545 11.412 ( -2.470 0.000 0.411) 2.504 11.619 ( -0.454 0.000 3.634) 3.662 11.738 ( 0.474 0.000 -0.330) 0.577 11.759 ( -1.396 0.000 0.032) 1.396 11.827 ( 0.285 0.000 -1.478) 1.505 11.898 ( -0.980 0.000 3.827) 3.951 12.036 ( -2.531 0.000 -1.866) 3.145 12.038 ( -1.667 0.000 0.834) 1.864 12.237 ( -1.214 0.000 1.703) 2.092 12.260 ( -0.065 0.000 0.965) 0.967 12.271 ( 4.946 0.000 1.753) 5.248 12.318 ( 1.062 0.000 -2.352) 2.581 12.321 ( -1.349 0.000 2.792) 3.100 12.417 ( 0.787 0.000 -0.201) 0.812 12.469 ( 5.510 0.000 0.003) 5.510 12.488 ( -2.635 0.000 1.495) 3.030 12.528 ( -0.842 0.000 -0.904) 1.235 12.567 ( 1.690 0.000 -1.458) 2.232 12.611 ( -2.114 0.000 -6.913) 7.229 12.735 ( -1.103 0.000 5.240) 5.354 12.789 ( -1.204 0.000 -0.283) 1.237 12.884 ( -2.923 0.000 -2.155) 3.631 12.899 ( -4.371 0.000 2.894) 5.243 12.943 ( -1.528 0.000 -0.066) 1.529 12.997 ( 1.056 0.000 -0.539) 1.186 13.058 ( -0.915 0.000 -0.318) 0.969 13.060 ( 4.169 0.000 -0.895) 4.263 13.118 ( 2.026 0.000 -2.547) 3.255 13.132 ( 2.438 0.000 0.449) 2.479 13.250 ( 0.921 0.000 -0.917) 1.299 13.256 ( -1.306 0.000 2.464) 2.788 13.318 ( -3.113 0.000 0.244) 3.122 13.373 ( -1.275 0.000 2.891) 3.160 13.577 ( -1.417 0.000 0.608) 1.542 13.642 ( -2.202 0.000 0.609) 2.284 13.675 ( -0.571 0.000 -0.932) 1.093 13.728 ( -0.501 0.000 0.154) 0.525 13.756 ( 2.183 0.000 -2.111) 3.037 13.852 ( 1.277 0.000 -1.344) 1.854 13.877 ( 0.808 0.000 0.953) 1.250 13.937 ( -1.286 0.000 -3.924) 4.129 13.961 ( 3.867 0.000 1.488) 4.143 14.088 ( 0.454 0.000 2.016) 2.067 14.098 ( -2.079 0.000 1.482) 2.554 14.150 ( -0.032 0.000 0.430) 0.432 14.250 ( -0.184 0.000 -0.726) 0.749 14.258 ( -1.453 0.000 -2.021) 2.489 14.306 ( -3.869 0.000 -3.265) 5.062 14.469 ( -1.547 0.000 1.087) 1.890 14.470 ( 1.912 0.000 1.284) 2.303 14.549 ( -2.676 0.000 -0.897) 2.822 14.702 ( 3.076 0.000 6.188) 6.910 14.707 ( -1.926 0.000 -4.493) 4.888 14.803 ( 3.793 0.000 -3.460) 5.134 14.941 ( -0.760 0.000 -6.164) 6.211 15.016 ( -13.265 0.000 6.021) 14.568 15.266 ( 0.110 0.000 1.889) 1.892 15.282 ( 4.571 0.000 4.763) 6.602 15.459 ( 1.262 0.000 0.248) 1.286 15.463 ( -1.786 0.000 -3.051) 3.535 15.651 ( 1.390 0.000 -2.355) 2.735 15.724 ( -0.143 0.000 4.071) 4.073 15.886 ( -2.048 0.000 5.432) 5.805 15.984 ( -0.772 0.000 -4.847) 4.908 16.385 ( 1.691 0.000 -0.041) 1.692 16.391 ( 2.669 0.000 -5.661) 6.259 16.480 ( 0.361 0.000 -6.585) 6.595 16.672 ( -0.669 0.000 3.038) 3.111 16.728 ( -0.293 0.000 0.329) 0.440 16.887 ( 2.550 0.000 0.877) 2.697 16.895 ( -3.843 0.000 -3.181) 4.989 17.141 ( 2.987 0.000 1.559) 3.369 17.221 ( 4.238 0.000 -0.510) 4.269 17.316 ( 0.052 0.000 2.878) 2.879 17.366 ( -4.035 0.000 -1.586) 4.336 17.474 ( 3.856 0.000 4.932) 6.261 17.568 ( -10.483 0.000 -2.539) 10.786 17.616 ( 7.865 0.000 1.590) 8.024 17.756 ( 1.248 0.000 1.108) 1.669 17.777 ( -8.071 0.000 4.883) 9.433 17.820 ( -3.127 0.000 -0.816) 3.231 17.961 ( 10.936 0.000 4.538) 11.840 18.002 ( -6.675 0.000 -8.295) 10.647 18.063 ( 9.118 0.000 -0.329) 9.124 18.259 ( 0.304 0.000 0.485) 0.573 18.275 ( -0.310 0.000 4.277) 4.288 18.354 ( -4.417 0.000 -0.522) 4.447 18.458 ( 4.487 0.000 -0.353) 4.501 18.590 ( 0.350 0.000 4.069) 4.084 18.622 ( 0.920 0.000 -3.408) 3.531 18.805 ( -6.286 0.000 -5.725) 8.502 18.881 ( 1.406 0.000 -4.008) 4.247 19.080 ( -1.707 0.000 -3.126) 3.562 19.169 ( 3.334 0.000 5.346) 6.301 19.256 ( 3.877 0.000 0.200) 3.882 20.081 ( -15.591 0.000 3.749) 16.036 20.366 ( 0.665 0.000 -3.583) 3.645 20.395 ( 32.769 0.000 0.725) 32.777 20.662 ( -0.326 0.000 -4.026) 4.039 21.360 ( -1.189 0.000 3.867) 4.045 21.567 ( 1.023 0.000 -1.097) 1.500 22.533 ( 0.045 0.000 4.105) 4.106 22.840 ( -20.299 0.000 -2.683) 20.476 ======================= Grid point 26 (11/39) ======================= q-point: ( 0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.135 ( 23.476 0.000 23.980) 33.559 1.257 ( 20.275 0.000 28.712) 35.149 1.788 ( 3.606 0.000 -2.925) 4.643 1.819 ( 20.417 0.000 18.487) 27.543 1.985 ( 11.295 0.000 3.579) 11.849 2.028 ( 2.351 0.000 -0.873) 2.508 2.165 ( -7.513 0.000 3.435) 8.261 2.250 ( 8.826 0.000 8.587) 12.314 2.406 ( -2.490 0.000 -3.472) 4.273 2.435 ( -10.745 0.000 -3.756) 11.383 2.584 ( -0.705 0.000 -12.414) 12.434 2.763 ( 2.563 0.000 1.897) 3.189 2.782 ( 1.099 0.000 2.562) 2.788 2.981 ( -4.852 0.000 -13.354) 14.208 3.038 ( 6.190 0.000 6.080) 8.677 3.216 ( -0.383 0.000 -8.575) 8.584 3.324 ( -4.964 0.000 0.615) 5.002 3.355 ( 6.552 0.000 -3.378) 7.371 3.371 ( 0.637 0.000 2.269) 2.356 3.565 ( -11.834 0.000 1.803) 11.970 3.592 ( -3.981 0.000 1.242) 4.170 3.604 ( -6.120 0.000 3.278) 6.943 3.666 ( -5.604 0.000 -2.798) 6.264 3.767 ( 1.878 0.000 -3.559) 4.024 3.854 ( 1.208 0.000 2.802) 3.052 3.858 ( -0.861 0.000 -0.137) 0.872 4.007 ( -0.208 0.000 -2.222) 2.231 4.054 ( -0.769 0.000 1.450) 1.641 4.097 ( 2.872 0.000 -1.742) 3.359 4.199 ( 0.971 0.000 1.042) 1.425 4.254 ( 6.437 0.000 1.568) 6.625 4.298 ( 7.554 0.000 -1.499) 7.701 4.335 ( 4.247 0.000 -0.117) 4.248 4.410 ( 4.703 0.000 -4.480) 6.495 4.470 ( -13.571 0.000 2.319) 13.768 4.633 ( 0.252 0.000 8.632) 8.635 4.656 ( 0.690 0.000 1.614) 1.756 4.706 ( -8.382 0.000 8.224) 11.743 4.885 ( -2.718 0.000 -4.210) 5.011 4.949 ( -6.138 0.000 -6.777) 9.143 5.028 ( -5.836 0.000 -0.891) 5.904 5.085 ( 1.673 0.000 -5.667) 5.909 5.191 ( -25.947 0.000 2.471) 26.065 5.335 ( 2.479 0.000 -1.713) 3.014 5.416 ( 2.364 0.000 2.938) 3.771 5.498 ( -5.122 0.000 -3.485) 6.195 5.627 ( 2.418 0.000 -3.648) 4.377 5.745 ( 1.837 0.000 -2.394) 3.018 5.807 ( 1.139 0.000 -3.687) 3.859 5.880 ( 0.436 0.000 -1.696) 1.751 6.047 ( 3.474 0.000 3.153) 4.691 6.090 ( -3.263 0.000 -3.728) 4.954 6.092 ( -2.816 0.000 6.195) 6.805 6.139 ( -1.260 0.000 6.866) 6.981 6.154 ( -1.012 0.000 5.993) 6.078 6.197 ( -1.111 0.000 7.154) 7.240 6.260 ( -0.731 0.000 5.580) 5.628 6.393 ( 4.791 0.000 -0.145) 4.793 6.404 ( -7.267 0.000 -0.728) 7.304 6.477 ( -2.445 0.000 2.235) 3.312 6.566 ( 1.440 0.000 -0.763) 1.629 6.573 ( -3.178 0.000 -0.192) 3.184 6.603 ( -1.315 0.000 -5.235) 5.398 6.624 ( 1.460 0.000 -1.699) 2.240 6.676 ( -1.674 0.000 -1.280) 2.107 6.692 ( -1.730 0.000 6.334) 6.566 6.771 ( -6.956 0.000 5.499) 8.867 6.846 ( 2.178 0.000 0.464) 2.227 6.895 ( 0.631 0.000 0.412) 0.754 6.963 ( -0.742 0.000 2.111) 2.237 7.004 ( -5.614 0.000 4.649) 7.289 7.088 ( 6.026 0.000 0.036) 6.026 7.089 ( -0.048 0.000 -0.348) 0.352 7.193 ( 5.453 0.000 4.481) 7.058 7.243 ( -5.804 0.000 0.184) 5.806 7.252 ( 2.899 0.000 3.976) 4.921 7.278 ( 3.840 0.000 2.309) 4.481 7.303 ( -2.722 0.000 0.644) 2.797 7.440 ( 1.972 0.000 -0.561) 2.050 7.505 ( 1.131 0.000 -0.966) 1.487 7.517 ( -5.524 0.000 -2.116) 5.915 7.546 ( -0.586 0.000 -1.206) 1.341 7.592 ( 1.829 0.000 -2.213) 2.871 7.654 ( 5.333 0.000 -1.751) 5.613 7.694 ( 0.993 0.000 1.276) 1.616 7.747 ( -0.061 0.000 -5.050) 5.050 7.835 ( 0.775 0.000 -0.806) 1.118 7.843 ( -2.615 0.000 6.724) 7.214 7.947 ( -0.295 0.000 0.317) 0.433 8.011 ( 5.032 0.000 -2.204) 5.493 8.022 ( -4.361 0.000 1.037) 4.482 8.043 ( -0.150 0.000 -5.245) 5.247 8.089 ( 3.250 0.000 -1.586) 3.616 8.147 ( 2.724 0.000 -0.904) 2.870 8.192 ( 3.865 0.000 -5.750) 6.928 8.240 ( 3.475 0.000 -2.449) 4.251 8.285 ( -0.734 0.000 -1.029) 1.263 8.313 ( 0.321 0.000 -4.378) 4.390 8.346 ( 1.310 0.000 3.022) 3.294 8.366 ( 0.093 0.000 7.454) 7.455 8.381 ( -6.099 0.000 -5.566) 8.257 8.454 ( -0.916 0.000 0.743) 1.180 8.486 ( 3.423 0.000 -9.941) 10.514 8.613 ( -2.245 0.000 -3.753) 4.373 8.644 ( -0.899 0.000 -7.679) 7.731 8.705 ( 1.995 0.000 -3.398) 3.940 8.793 ( 2.269 0.000 0.362) 2.297 8.858 ( -1.758 0.000 2.536) 3.085 8.867 ( 4.818 0.000 -1.621) 5.083 8.918 ( -5.781 0.000 4.449) 7.295 8.959 ( 2.965 0.000 -6.964) 7.569 9.073 ( -6.358 0.000 1.419) 6.514 9.073 ( -2.879 0.000 -0.259) 2.891 9.105 ( 3.286 0.000 3.686) 4.938 9.150 ( 0.931 0.000 1.297) 1.597 9.248 ( 0.358 0.000 0.305) 0.470 9.279 ( 1.956 0.000 2.187) 2.935 9.335 ( 1.187 0.000 3.062) 3.284 9.373 ( 3.676 0.000 3.164) 4.850 9.474 ( 2.414 0.000 2.889) 3.765 9.520 ( -1.703 0.000 -0.744) 1.859 9.636 ( 3.748 0.000 3.347) 5.025 9.724 ( 5.023 0.000 -1.018) 5.125 9.755 ( 0.554 0.000 -3.011) 3.061 9.810 ( -1.180 0.000 -4.634) 4.782 9.948 ( -2.387 0.000 -2.628) 3.550 10.029 ( -1.778 0.000 3.586) 4.003 10.142 ( -2.430 0.000 1.787) 3.016 10.156 ( 1.241 0.000 3.243) 3.472 10.206 ( -2.217 0.000 -0.812) 2.361 10.481 ( -2.541 0.000 1.079) 2.760 10.632 ( 6.090 0.000 -1.352) 6.238 10.756 ( 0.803 0.000 5.238) 5.299 10.903 ( -3.729 0.000 -3.639) 5.211 11.154 ( -4.625 0.000 0.114) 4.627 11.318 ( -5.343 0.000 4.684) 7.106 11.355 ( -3.045 0.000 0.903) 3.176 11.409 ( 0.643 0.000 2.537) 2.617 11.666 ( 3.306 0.000 2.823) 4.348 11.734 ( -0.997 0.000 -0.845) 1.307 11.756 ( 1.195 0.000 0.050) 1.196 11.818 ( -0.489 0.000 -0.564) 0.746 11.898 ( -0.859 0.000 4.540) 4.621 12.002 ( -0.382 0.000 -0.044) 0.385 12.017 ( -0.945 0.000 0.509) 1.073 12.206 ( -2.642 0.000 1.560) 3.069 12.263 ( -4.680 0.000 4.195) 6.286 12.264 ( -0.091 0.000 0.399) 0.409 12.317 ( -0.152 0.000 -1.632) 1.639 12.376 ( 2.908 0.000 2.150) 3.617 12.400 ( -4.394 0.000 1.391) 4.609 12.438 ( 1.480 0.000 0.018) 1.480 12.500 ( 3.543 0.000 0.342) 3.559 12.525 ( -0.470 0.000 -2.524) 2.568 12.576 ( 0.943 0.000 -5.287) 5.371 12.607 ( 1.895 0.000 -1.239) 2.264 12.738 ( -1.442 0.000 4.781) 4.994 12.751 ( -2.569 0.000 0.814) 2.695 12.802 ( -4.046 0.000 -1.743) 4.406 12.826 ( -2.096 0.000 4.039) 4.550 12.904 ( -4.056 0.000 -0.617) 4.103 13.011 ( 0.609 0.000 0.465) 0.766 13.059 ( 1.705 0.000 -1.718) 2.421 13.093 ( -0.466 0.000 -1.223) 1.309 13.187 ( 2.533 0.000 0.572) 2.597 13.195 ( 4.202 0.000 3.255) 5.316 13.244 ( 0.044 0.000 -0.973) 0.974 13.247 ( -0.766 0.000 -0.592) 0.968 13.272 ( 2.352 0.000 0.550) 2.416 13.345 ( -3.396 0.000 2.932) 4.487 13.549 ( -0.904 0.000 -1.588) 1.827 13.669 ( 0.646 0.000 -0.871) 1.084 13.691 ( 3.593 0.000 0.593) 3.641 13.726 ( -0.548 0.000 2.755) 2.809 13.772 ( 0.901 0.000 -2.440) 2.601 13.877 ( -1.558 0.000 0.218) 1.573 13.883 ( -0.371 0.000 -2.562) 2.589 13.901 ( 3.752 0.000 -0.503) 3.786 14.035 ( -2.658 0.000 -1.024) 2.848 14.040 ( 3.332 0.000 0.632) 3.391 14.120 ( 0.298 0.000 2.248) 2.267 14.140 ( -1.553 0.000 0.694) 1.701 14.187 ( -3.875 0.000 -1.506) 4.157 14.222 ( -3.714 0.000 2.674) 4.576 14.254 ( 1.078 0.000 -2.735) 2.940 14.427 ( -3.694 0.000 2.628) 4.533 14.490 ( -1.987 0.000 2.017) 2.831 14.537 ( 3.454 0.000 1.431) 3.738 14.640 ( -2.412 0.000 -4.353) 4.977 14.718 ( -1.658 0.000 7.311) 7.497 14.857 ( 4.090 0.000 -7.664) 8.687 14.919 ( 1.107 0.000 -3.392) 3.568 14.999 ( 3.234 0.000 4.593) 5.617 15.254 ( -2.041 0.000 1.439) 2.497 15.327 ( -1.076 0.000 6.413) 6.503 15.403 ( -3.028 0.000 -5.164) 5.986 15.461 ( -1.438 0.000 1.281) 1.925 15.701 ( 5.035 0.000 -2.569) 5.653 15.760 ( 1.800 0.000 6.320) 6.571 15.884 ( -0.406 0.000 1.303) 1.365 15.934 ( -1.346 0.000 -6.282) 6.425 16.362 ( -1.716 0.000 -3.410) 3.817 16.419 ( 1.925 0.000 -0.094) 1.927 16.529 ( 6.032 0.000 -5.993) 8.504 16.534 ( -11.088 0.000 5.332) 12.304 16.759 ( 3.532 0.000 0.352) 3.549 16.865 ( 1.009 0.000 -3.657) 3.794 16.948 ( 3.076 0.000 2.166) 3.762 17.193 ( -2.275 0.000 -5.323) 5.789 17.279 ( -2.166 0.000 -0.552) 2.236 17.285 ( -2.546 0.000 1.004) 2.737 17.329 ( 3.153 0.000 0.522) 3.196 17.427 ( -1.937 0.000 8.160) 8.387 17.511 ( -7.417 0.000 6.972) 10.180 17.627 ( -3.395 0.000 -0.382) 3.416 17.732 ( -2.585 0.000 -3.667) 4.487 17.771 ( 5.520 0.000 5.719) 7.948 17.820 ( 3.052 0.000 -0.296) 3.066 17.853 ( -4.427 0.000 -6.539) 7.897 18.046 ( 2.699 0.000 7.778) 8.233 18.203 ( -3.554 0.000 0.811) 3.645 18.237 ( 3.518 0.000 -5.101) 6.197 18.298 ( 3.811 0.000 4.190) 5.664 18.398 ( 1.824 0.000 -8.418) 8.613 18.527 ( -0.425 0.000 -1.321) 1.388 18.559 ( -1.256 0.000 4.417) 4.592 18.657 ( 4.892 0.000 -4.233) 6.469 18.768 ( 2.505 0.000 0.086) 2.506 18.862 ( -1.793 0.000 -3.790) 4.193 18.911 ( -8.022 0.000 -4.653) 9.274 19.235 ( 1.379 0.000 2.841) 3.158 19.403 ( 7.397 0.000 -0.678) 7.428 19.796 ( -16.714 0.000 16.289) 23.338 20.274 ( -6.763 0.000 -3.139) 7.457 20.581 ( -2.670 0.000 -3.153) 4.132 20.703 ( 5.871 0.000 -5.698) 8.181 21.317 ( -4.817 0.000 3.933) 6.219 21.588 ( 1.557 0.000 -1.577) 2.216 22.552 ( -0.549 0.000 4.838) 4.869 22.563 ( -4.643 0.000 5.237) 6.999 ======================= Grid point 27 (12/39) ======================= q-point: ( 0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.626 ( 0.639 0.000 7.424) 7.451 1.638 ( 13.085 0.000 10.622) 16.853 1.796 ( -11.054 0.000 -1.523) 11.158 1.873 ( 6.428 0.000 -2.014) 6.736 2.056 ( 2.823 0.000 -6.149) 6.767 2.078 ( -4.964 0.000 9.769) 10.958 2.137 ( 2.268 0.000 11.895) 12.110 2.174 ( -1.111 0.000 1.405) 1.791 2.396 ( 0.950 0.000 -0.885) 1.298 2.486 ( 0.362 0.000 -4.242) 4.257 2.744 ( -2.749 0.000 -2.674) 3.835 2.795 ( -1.155 0.000 2.071) 2.371 2.847 ( 19.878 0.000 4.769) 20.442 2.974 ( 9.068 0.000 -11.343) 14.523 3.114 ( 3.041 0.000 -7.187) 7.804 3.261 ( -2.130 0.000 -0.200) 2.139 3.301 ( -0.461 0.000 3.339) 3.371 3.352 ( 4.710 0.000 -0.144) 4.712 3.358 ( -9.453 0.000 -0.124) 9.453 3.449 ( 1.747 0.000 5.095) 5.386 3.514 ( -1.473 0.000 -4.197) 4.448 3.587 ( 6.906 0.000 3.511) 7.748 3.646 ( 4.894 0.000 3.546) 6.043 3.728 ( -0.182 0.000 -2.903) 2.908 3.885 ( -16.909 0.000 4.531) 17.505 3.916 ( -4.775 0.000 7.281) 8.707 3.927 ( 1.681 0.000 2.120) 2.706 4.056 ( -3.303 0.000 -2.913) 4.403 4.064 ( 1.135 0.000 -3.363) 3.549 4.151 ( -1.878 0.000 1.702) 2.534 4.190 ( -11.810 0.000 -2.616) 12.096 4.257 ( -17.417 0.000 4.198) 17.915 4.378 ( 4.632 0.000 -0.854) 4.710 4.400 ( -0.533 0.000 2.495) 2.551 4.513 ( -0.795 0.000 4.269) 4.342 4.514 ( 7.310 0.000 -1.956) 7.567 4.592 ( -3.192 0.000 7.588) 8.232 4.622 ( -5.199 0.000 4.312) 6.755 4.812 ( -3.077 0.000 1.761) 3.545 4.888 ( 4.721 0.000 -2.801) 5.490 5.006 ( 1.234 0.000 -1.771) 2.158 5.083 ( 7.723 0.000 -0.081) 7.723 5.106 ( 4.026 0.000 -2.572) 4.777 5.304 ( 0.046 0.000 -5.235) 5.236 5.365 ( -5.348 0.000 -7.249) 9.009 5.567 ( 4.196 0.000 -0.934) 4.299 5.648 ( 1.291 0.000 -0.552) 1.404 5.694 ( -3.396 0.000 0.068) 3.397 5.837 ( 2.949 0.000 -1.665) 3.387 5.879 ( -1.393 0.000 -1.288) 1.897 6.064 ( 2.107 0.000 -1.115) 2.384 6.065 ( -3.033 0.000 5.238) 6.053 6.083 ( -1.752 0.000 5.986) 6.237 6.098 ( -4.985 0.000 1.733) 5.277 6.169 ( -0.048 0.000 3.387) 3.387 6.202 ( -2.893 0.000 3.094) 4.236 6.278 ( 1.296 0.000 8.826) 8.920 6.333 ( 0.447 0.000 1.853) 1.906 6.409 ( -5.013 0.000 0.172) 5.016 6.474 ( -3.518 0.000 0.448) 3.546 6.543 ( 5.429 0.000 -1.019) 5.524 6.551 ( -1.370 0.000 -3.561) 3.816 6.594 ( 1.460 0.000 1.113) 1.836 6.608 ( -1.610 0.000 -0.946) 1.867 6.672 ( 1.420 0.000 -2.521) 2.893 6.704 ( -1.948 0.000 5.054) 5.416 6.758 ( 4.225 0.000 1.164) 4.383 6.866 ( 1.075 0.000 -3.543) 3.702 6.869 ( -2.469 0.000 -0.279) 2.485 6.926 ( -3.886 0.000 3.753) 5.403 6.985 ( 1.632 0.000 3.887) 4.216 7.119 ( -6.528 0.000 5.206) 8.350 7.128 ( -7.195 0.000 -2.746) 7.701 7.203 ( 7.309 0.000 -0.660) 7.338 7.207 ( 0.256 0.000 0.301) 0.395 7.264 ( -0.988 0.000 1.147) 1.514 7.285 ( 0.957 0.000 0.993) 1.379 7.375 ( 2.139 0.000 0.681) 2.245 7.429 ( 1.295 0.000 -0.442) 1.368 7.442 ( -3.929 0.000 -8.798) 9.635 7.472 ( -0.259 0.000 2.990) 3.001 7.537 ( -1.773 0.000 1.656) 2.426 7.616 ( 1.746 0.000 -0.817) 1.927 7.697 ( -1.075 0.000 -0.922) 1.416 7.731 ( 3.697 0.000 -2.227) 4.316 7.746 ( 2.685 0.000 2.520) 3.682 7.805 ( -5.199 0.000 5.683) 7.702 7.890 ( 3.056 0.000 0.817) 3.164 7.896 ( -3.903 0.000 1.563) 4.204 7.985 ( 0.992 0.000 -2.300) 2.505 8.041 ( -3.687 0.000 -2.213) 4.300 8.056 ( 3.531 0.000 -1.986) 4.051 8.081 ( 2.142 0.000 -2.273) 3.123 8.198 ( 0.305 0.000 -5.017) 5.026 8.201 ( -0.002 0.000 -6.869) 6.869 8.239 ( -1.406 0.000 -0.894) 1.666 8.277 ( 1.377 0.000 -4.430) 4.639 8.279 ( -1.301 0.000 -5.103) 5.266 8.337 ( 6.071 0.000 -3.046) 6.792 8.357 ( -2.578 0.000 -4.151) 4.887 8.393 ( 1.367 0.000 3.120) 3.406 8.495 ( -4.234 0.000 -5.911) 7.271 8.519 ( 4.014 0.000 2.709) 4.843 8.552 ( 4.430 0.000 3.700) 5.772 8.596 ( -2.614 0.000 -3.499) 4.368 8.765 ( -2.061 0.000 2.702) 3.399 8.790 ( 4.974 0.000 -1.031) 5.080 8.859 ( 0.921 0.000 2.625) 2.782 8.936 ( 4.927 0.000 -5.435) 7.336 8.938 ( 1.510 0.000 4.121) 4.389 8.990 ( 1.409 0.000 -3.547) 3.817 9.002 ( -2.215 0.000 0.642) 2.306 9.015 ( -0.572 0.000 -4.656) 4.691 9.101 ( -1.072 0.000 -0.359) 1.130 9.142 ( -1.473 0.000 -1.786) 2.315 9.256 ( 0.948 0.000 0.931) 1.329 9.333 ( 0.475 0.000 -0.369) 0.601 9.374 ( 0.744 0.000 7.549) 7.585 9.417 ( -2.229 0.000 7.788) 8.101 9.493 ( 0.622 0.000 -2.913) 2.979 9.532 ( 0.416 0.000 6.564) 6.577 9.702 ( -0.749 0.000 6.103) 6.148 9.726 ( -2.192 0.000 -0.518) 2.252 9.761 ( 1.717 0.000 -4.659) 4.966 9.842 ( 4.116 0.000 -2.518) 4.826 9.904 ( -1.070 0.000 -1.734) 2.038 10.027 ( 1.249 0.000 1.575) 2.010 10.095 ( -2.925 0.000 -0.756) 3.021 10.144 ( -2.890 0.000 -0.581) 2.948 10.199 ( 1.294 0.000 1.828) 2.239 10.454 ( -1.023 0.000 3.754) 3.891 10.734 ( 3.934 0.000 -1.318) 4.149 10.768 ( -1.880 0.000 2.560) 3.176 10.819 ( -1.115 0.000 -4.811) 4.938 11.099 ( -1.065 0.000 1.437) 1.789 11.241 ( -4.201 0.000 2.204) 4.744 11.340 ( -0.178 0.000 4.995) 4.998 11.412 ( -1.305 0.000 1.935) 2.334 11.706 ( -0.637 0.000 -0.906) 1.108 11.746 ( 2.565 0.000 1.853) 3.164 11.767 ( -0.059 0.000 -0.637) 0.640 11.805 ( -0.862 0.000 0.956) 1.287 11.915 ( -0.276 0.000 6.011) 6.017 12.008 ( 0.186 0.000 -0.041) 0.190 12.017 ( 1.810 0.000 -0.825) 1.989 12.158 ( -3.672 0.000 2.664) 4.537 12.207 ( -2.159 0.000 2.419) 3.242 12.254 ( -1.000 0.000 -1.068) 1.463 12.295 ( -1.525 0.000 0.468) 1.595 12.360 ( -1.093 0.000 -1.827) 2.129 12.386 ( -2.024 0.000 1.423) 2.474 12.479 ( 2.024 0.000 -0.025) 2.024 12.523 ( 1.598 0.000 -2.765) 3.193 12.559 ( 0.285 0.000 -4.478) 4.487 12.598 ( 5.997 0.000 0.099) 5.998 12.650 ( 3.079 0.000 0.505) 3.121 12.696 ( -3.785 0.000 0.087) 3.786 12.725 ( -0.009 0.000 0.308) 0.308 12.762 ( -1.266 0.000 5.217) 5.368 12.815 ( -3.065 0.000 -0.552) 3.114 12.849 ( 0.277 0.000 3.884) 3.894 13.018 ( -0.158 0.000 0.109) 0.191 13.071 ( -0.723 0.000 0.545) 0.905 13.106 ( 4.024 0.000 -2.478) 4.726 13.215 ( -2.143 0.000 1.678) 2.721 13.229 ( 1.306 0.000 -2.200) 2.558 13.260 ( 1.045 0.000 0.406) 1.121 13.283 ( -3.983 0.000 3.302) 5.174 13.288 ( 2.526 0.000 1.365) 2.871 13.312 ( 1.129 0.000 -0.317) 1.172 13.543 ( 0.985 0.000 -0.971) 1.384 13.683 ( 0.886 0.000 -0.645) 1.096 13.703 ( -1.402 0.000 -1.544) 2.086 13.722 ( -1.585 0.000 3.297) 3.658 13.764 ( 0.656 0.000 -3.700) 3.757 13.867 ( -0.305 0.000 0.684) 0.749 13.882 ( 0.603 0.000 -3.267) 3.322 13.963 ( 2.998 0.000 -2.292) 3.774 13.979 ( -2.156 0.000 -1.309) 2.522 14.082 ( 1.475 0.000 -0.967) 1.764 14.106 ( -3.189 0.000 1.265) 3.431 14.117 ( -2.216 0.000 -0.248) 2.230 14.126 ( 0.484 0.000 -1.871) 1.933 14.206 ( -0.441 0.000 5.651) 5.668 14.267 ( 1.251 0.000 -0.861) 1.518 14.377 ( -2.038 0.000 2.906) 3.550 14.510 ( 1.184 0.000 6.805) 6.907 14.574 ( -0.170 0.000 -3.900) 3.903 14.612 ( 1.818 0.000 0.484) 1.881 14.711 ( -2.261 0.000 2.084) 3.075 14.855 ( 0.930 0.000 -9.836) 9.880 14.962 ( 3.838 0.000 -1.416) 4.091 15.078 ( 2.380 0.000 4.986) 5.525 15.220 ( -1.814 0.000 1.348) 2.260 15.287 ( -5.298 0.000 -1.866) 5.617 15.361 ( 0.638 0.000 5.045) 5.085 15.436 ( -1.478 0.000 0.383) 1.527 15.753 ( 0.483 0.000 -4.625) 4.650 15.836 ( 1.805 0.000 1.773) 2.530 15.893 ( 1.463 0.000 4.575) 4.803 15.913 ( 2.991 0.000 -3.894) 4.910 16.329 ( -0.225 0.000 -2.342) 2.352 16.376 ( -7.551 0.000 3.515) 8.328 16.458 ( 1.364 0.000 2.011) 2.430 16.599 ( 3.930 0.000 -4.919) 6.296 16.832 ( 2.952 0.000 -2.502) 3.869 16.882 ( 2.417 0.000 -2.099) 3.201 17.015 ( -7.011 0.000 -0.570) 7.035 17.022 ( 2.055 0.000 -2.317) 3.096 17.247 ( -1.576 0.000 1.646) 2.279 17.260 ( -1.389 0.000 0.383) 1.441 17.318 ( -3.664 0.000 -3.011) 4.742 17.404 ( -4.398 0.000 3.632) 5.704 17.555 ( 8.300 0.000 9.097) 12.315 17.594 ( -0.556 0.000 1.311) 1.424 17.625 ( -7.383 0.000 1.561) 7.546 17.827 ( 4.882 0.000 -7.709) 9.125 17.838 ( -1.973 0.000 3.173) 3.737 17.902 ( 4.457 0.000 4.951) 6.662 18.072 ( -6.917 0.000 -1.103) 7.004 18.209 ( 9.036 0.000 4.001) 9.882 18.268 ( 2.553 0.000 -5.240) 5.829 18.290 ( -7.349 0.000 -4.407) 8.569 18.402 ( 2.244 0.000 4.777) 5.278 18.484 ( -1.855 0.000 0.094) 1.858 18.551 ( -2.823 0.000 -1.246) 3.086 18.714 ( 2.707 0.000 -6.261) 6.821 18.773 ( -0.596 0.000 -5.020) 5.055 18.843 ( 4.117 0.000 3.395) 5.336 18.851 ( -0.168 0.000 -2.746) 2.751 19.239 ( -1.990 0.000 0.731) 2.121 19.486 ( 1.810 0.000 -1.190) 2.166 19.634 ( -9.496 0.000 15.127) 17.861 20.162 ( -2.377 0.000 -2.708) 3.603 20.501 ( -3.576 0.000 -1.835) 4.019 20.779 ( 4.705 0.000 -6.597) 8.103 21.252 ( -3.617 0.000 4.977) 6.153 21.594 ( 0.090 0.000 -2.546) 2.547 22.553 ( -1.658 0.000 4.063) 4.388 22.588 ( 3.237 0.000 2.120) 3.869 ======================= Grid point 28 (13/39) ======================= q-point: (-0.40 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -29.432 0.000 3.420) 29.630 1.330 ( -26.550 0.000 10.317) 28.484 1.879 ( -5.087 0.000 -2.526) 5.680 1.931 ( -3.938 0.000 2.920) 4.902 2.011 ( 2.200 0.000 -2.833) 3.588 2.047 ( 0.339 0.000 -5.102) 5.113 2.346 ( 10.571 0.000 11.781) 15.828 2.426 ( 4.273 0.000 1.594) 4.561 2.453 ( 12.281 0.000 10.637) 16.247 2.477 ( -1.065 0.000 2.792) 2.988 2.714 ( 1.589 0.000 -4.134) 4.429 2.719 ( -8.346 0.000 -3.283) 8.968 2.910 ( -25.117 0.000 2.596) 25.251 3.045 ( -2.699 0.000 -8.262) 8.691 3.086 ( -8.250 0.000 -0.687) 8.279 3.189 ( -12.284 0.000 6.173) 13.748 3.195 ( 3.107 0.000 -3.687) 4.821 3.267 ( 10.540 0.000 -6.697) 12.487 3.281 ( 0.533 0.000 -1.748) 1.827 3.463 ( -1.991 0.000 -0.816) 2.152 3.507 ( 1.524 0.000 7.408) 7.563 3.545 ( 6.052 0.000 -2.119) 6.412 3.626 ( -1.181 0.000 2.244) 2.535 3.747 ( 3.750 0.000 -1.646) 4.096 3.801 ( -0.137 0.000 2.944) 2.947 3.943 ( 4.328 0.000 -4.419) 6.185 3.966 ( 2.069 0.000 2.611) 3.331 4.003 ( -2.700 0.000 -3.935) 4.772 4.091 ( 6.763 0.000 -3.983) 7.849 4.152 ( 0.811 0.000 3.259) 3.358 4.199 ( 2.059 0.000 -2.040) 2.898 4.291 ( -8.401 0.000 0.980) 8.458 4.410 ( 1.825 0.000 1.239) 2.206 4.425 ( -1.887 0.000 4.785) 5.144 4.521 ( -5.348 0.000 6.359) 8.309 4.534 ( -4.372 0.000 1.564) 4.643 4.572 ( -1.618 0.000 4.087) 4.395 4.634 ( 23.116 0.000 20.081) 30.620 4.747 ( -2.726 0.000 -3.174) 4.184 4.992 ( 3.296 0.000 -0.545) 3.340 5.089 ( 5.803 0.000 3.961) 7.026 5.208 ( -1.619 0.000 -0.964) 1.884 5.218 ( 4.590 0.000 4.684) 6.559 5.287 ( 2.753 0.000 -10.137) 10.504 5.346 ( 16.401 0.000 -5.686) 17.358 5.449 ( -9.169 0.000 -5.991) 10.952 5.674 ( 1.021 0.000 0.699) 1.237 5.675 ( -2.544 0.000 -4.740) 5.380 5.859 ( 0.106 0.000 -0.774) 0.781 5.871 ( 1.053 0.000 -0.205) 1.073 5.997 ( -5.065 0.000 0.335) 5.076 6.012 ( -1.495 0.000 -0.551) 1.593 6.069 ( -3.318 0.000 7.542) 8.239 6.147 ( -3.134 0.000 3.774) 4.906 6.151 ( 4.356 0.000 2.899) 5.232 6.189 ( 0.124 0.000 1.321) 1.327 6.343 ( 1.149 0.000 9.607) 9.675 6.352 ( 1.092 0.000 -2.416) 2.651 6.421 ( 5.990 0.000 6.690) 8.980 6.465 ( -2.860 0.000 2.452) 3.767 6.498 ( -3.545 0.000 -3.758) 5.166 6.535 ( -2.219 0.000 -1.716) 2.805 6.591 ( 0.952 0.000 -2.225) 2.420 6.639 ( 2.754 0.000 1.499) 3.136 6.686 ( 1.141 0.000 -2.011) 2.312 6.716 ( 1.088 0.000 6.062) 6.159 6.767 ( -0.719 0.000 -1.894) 2.026 6.852 ( -1.950 0.000 2.518) 3.184 6.874 ( 0.998 0.000 -2.247) 2.459 6.935 ( -8.743 0.000 -5.116) 10.130 6.967 ( 6.716 0.000 -0.028) 6.716 7.002 ( -2.267 0.000 1.872) 2.940 7.077 ( -0.654 0.000 6.160) 6.194 7.179 ( -3.051 0.000 -0.620) 3.113 7.222 ( -4.000 0.000 0.839) 4.087 7.269 ( -2.977 0.000 -0.056) 2.978 7.287 ( 2.034 0.000 1.572) 2.571 7.376 ( 1.403 0.000 -6.464) 6.615 7.397 ( -2.344 0.000 0.659) 2.435 7.459 ( 2.849 0.000 -3.040) 4.167 7.483 ( -1.330 0.000 2.359) 2.708 7.542 ( 3.269 0.000 3.816) 5.025 7.620 ( -2.549 0.000 -0.417) 2.583 7.698 ( -0.146 0.000 -1.180) 1.189 7.734 ( -1.937 0.000 0.194) 1.947 7.776 ( -0.733 0.000 5.300) 5.350 7.804 ( 5.883 0.000 0.103) 5.884 7.885 ( 0.980 0.000 1.447) 1.747 7.927 ( 0.441 0.000 -0.283) 0.524 7.945 ( -4.073 0.000 -6.594) 7.751 8.002 ( 1.063 0.000 -4.986) 5.098 8.090 ( -0.366 0.000 -1.168) 1.224 8.110 ( -0.708 0.000 2.714) 2.805 8.134 ( -1.792 0.000 -4.383) 4.735 8.150 ( 2.593 0.000 -4.150) 4.893 8.198 ( -3.740 0.000 -2.358) 4.421 8.243 ( 0.084 0.000 -3.793) 3.794 8.332 ( 1.651 0.000 -0.291) 1.677 8.342 ( 4.954 0.000 -6.975) 8.555 8.377 ( 2.472 0.000 -4.025) 4.723 8.436 ( 3.012 0.000 -6.239) 6.928 8.489 ( 4.294 0.000 -0.545) 4.329 8.530 ( -1.190 0.000 -0.705) 1.383 8.542 ( -2.430 0.000 -0.464) 2.474 8.639 ( 1.319 0.000 9.179) 9.273 8.783 ( -5.752 0.000 -1.426) 5.926 8.790 ( 1.261 0.000 4.613) 4.782 8.885 ( -0.596 0.000 2.514) 2.584 8.921 ( -3.009 0.000 2.251) 3.758 8.925 ( -2.610 0.000 -2.245) 3.442 9.014 ( 1.567 0.000 -1.755) 2.353 9.030 ( 7.440 0.000 -6.446) 9.844 9.031 ( 2.622 0.000 -3.511) 4.382 9.128 ( 2.451 0.000 -0.285) 2.467 9.142 ( 1.660 0.000 -0.747) 1.821 9.262 ( -0.920 0.000 -0.873) 1.268 9.276 ( -4.251 0.000 0.546) 4.286 9.401 ( -1.181 0.000 1.943) 2.274 9.409 ( -0.945 0.000 6.118) 6.191 9.496 ( 0.503 0.000 -4.636) 4.664 9.523 ( -6.104 0.000 10.042) 11.751 9.684 ( -1.209 0.000 7.442) 7.539 9.715 ( -0.783 0.000 2.214) 2.348 9.791 ( 3.052 0.000 -2.709) 4.081 9.856 ( -2.030 0.000 0.726) 2.156 9.875 ( 0.267 0.000 -3.785) 3.794 10.021 ( -3.398 0.000 -4.198) 5.401 10.096 ( 3.921 0.000 1.580) 4.228 10.103 ( -0.495 0.000 -1.979) 2.040 10.228 ( 0.510 0.000 2.241) 2.298 10.498 ( 3.339 0.000 5.516) 6.448 10.702 ( -2.285 0.000 -5.167) 5.649 10.709 ( -4.696 0.000 -0.031) 4.696 10.883 ( 5.547 0.000 -0.343) 5.558 11.133 ( 3.271 0.000 2.573) 4.162 11.203 ( -0.769 0.000 3.297) 3.386 11.380 ( 1.511 0.000 4.740) 4.975 11.385 ( -2.191 0.000 1.049) 2.429 11.684 ( -1.505 0.000 -0.125) 1.510 11.755 ( -0.777 0.000 -0.088) 0.782 11.783 ( 0.400 0.000 1.761) 1.806 11.799 ( 0.123 0.000 -0.403) 0.421 11.919 ( -2.659 0.000 6.132) 6.684 12.042 ( 3.017 0.000 0.926) 3.156 12.049 ( 1.305 0.000 2.028) 2.412 12.113 ( -1.594 0.000 1.486) 2.179 12.208 ( 0.717 0.000 2.002) 2.127 12.226 ( -0.698 0.000 -1.983) 2.102 12.274 ( -1.042 0.000 0.698) 1.254 12.324 ( -1.421 0.000 -2.635) 2.994 12.346 ( -2.060 0.000 -0.258) 2.076 12.484 ( -1.674 0.000 0.056) 1.675 12.529 ( 0.044 0.000 -0.235) 0.240 12.562 ( 1.859 0.000 -4.511) 4.879 12.612 ( -3.598 0.000 1.230) 3.802 12.712 ( 2.776 0.000 1.112) 2.991 12.712 ( 2.048 0.000 -1.425) 2.495 12.751 ( 0.584 0.000 1.699) 1.796 12.771 ( 1.482 0.000 0.835) 1.701 12.792 ( 2.590 0.000 5.380) 5.971 12.900 ( 3.182 0.000 1.480) 3.509 13.007 ( -0.885 0.000 -0.369) 0.959 13.085 ( 1.600 0.000 1.820) 2.423 13.158 ( 0.582 0.000 -3.869) 3.913 13.176 ( -0.234 0.000 0.673) 0.713 13.179 ( -4.025 0.000 0.429) 4.048 13.231 ( -4.279 0.000 -0.727) 4.340 13.289 ( -2.650 0.000 -0.612) 2.720 13.306 ( -1.805 0.000 3.108) 3.594 13.307 ( 3.198 0.000 2.289) 3.932 13.570 ( 1.425 0.000 1.483) 2.056 13.679 ( 1.406 0.000 -3.763) 4.017 13.682 ( -0.691 0.000 -0.018) 0.692 13.712 ( -0.182 0.000 1.070) 1.085 13.773 ( 0.160 0.000 -4.223) 4.226 13.866 ( 1.398 0.000 -0.333) 1.437 13.879 ( 0.525 0.000 -0.584) 0.786 13.941 ( -0.910 0.000 0.476) 1.026 13.963 ( -1.437 0.000 -4.409) 4.637 14.002 ( -6.067 0.000 0.141) 6.069 14.115 ( 1.679 0.000 -0.741) 1.835 14.122 ( -0.314 0.000 -1.670) 1.699 14.139 ( 3.606 0.000 0.861) 3.707 14.234 ( -0.308 0.000 5.469) 5.478 14.295 ( 3.253 0.000 -2.552) 4.134 14.396 ( 0.754 0.000 8.430) 8.463 14.539 ( -1.647 0.000 -2.937) 3.368 14.578 ( 2.544 0.000 4.936) 5.553 14.644 ( -4.981 0.000 -0.584) 5.015 14.662 ( 3.095 0.000 -0.317) 3.112 14.819 ( 0.003 0.000 -8.060) 8.060 15.013 ( 1.981 0.000 -2.624) 3.288 15.116 ( -1.924 0.000 6.669) 6.941 15.210 ( 0.100 0.000 1.413) 1.417 15.210 ( -0.923 0.000 -0.706) 1.162 15.417 ( 2.475 0.000 3.904) 4.622 15.418 ( -0.052 0.000 -0.618) 0.620 15.701 ( -2.079 0.000 -4.882) 5.306 15.822 ( -1.326 0.000 -3.441) 3.688 15.952 ( -1.739 0.000 10.554) 10.696 15.972 ( 3.458 0.000 -2.126) 4.059 16.308 ( -0.397 0.000 1.686) 1.732 16.329 ( 1.729 0.000 -4.143) 4.490 16.495 ( 1.529 0.000 3.425) 3.751 16.617 ( 0.080 0.000 -5.351) 5.351 16.792 ( -3.482 0.000 -3.251) 4.764 16.896 ( -3.088 0.000 -1.951) 3.652 16.929 ( 2.486 0.000 -0.025) 2.486 17.097 ( 3.406 0.000 -0.839) 3.507 17.234 ( -0.506 0.000 2.975) 3.017 17.244 ( -1.353 0.000 -4.899) 5.082 17.273 ( 1.552 0.000 -0.114) 1.556 17.373 ( 0.651 0.000 0.911) 1.119 17.536 ( -2.673 0.000 9.613) 9.978 17.612 ( 1.285 0.000 1.206) 1.763 17.736 ( 5.464 0.000 3.441) 6.458 17.771 ( -7.512 0.000 3.115) 8.132 17.913 ( 6.959 0.000 -8.421) 10.924 17.963 ( -0.455 0.000 3.748) 3.776 18.001 ( 0.738 0.000 2.829) 2.923 18.062 ( -10.243 0.000 -1.445) 10.344 18.277 ( -0.520 0.000 -1.609) 1.691 18.375 ( -2.992 0.000 -6.926) 7.545 18.455 ( -5.701 0.000 0.466) 5.720 18.455 ( 10.726 0.000 1.848) 10.884 18.496 ( 0.906 0.000 4.853) 4.937 18.705 ( 0.639 0.000 -8.419) 8.444 18.788 ( 2.914 0.000 -3.670) 4.686 18.853 ( 1.996 0.000 -1.618) 2.569 18.939 ( 4.781 0.000 1.211) 4.932 19.167 ( -6.037 0.000 0.694) 6.076 19.458 ( -4.223 0.000 0.015) 4.223 19.581 ( -3.460 0.000 14.241) 14.656 20.180 ( 5.124 0.000 -2.439) 5.674 20.430 ( -3.335 0.000 -3.061) 4.527 20.794 ( -0.026 0.000 -5.884) 5.884 21.254 ( 1.187 0.000 5.430) 5.558 21.574 ( -0.546 0.000 -3.013) 3.062 22.535 ( -1.817 0.000 2.959) 3.473 22.681 ( 5.437 0.000 4.125) 6.825 ======================= Grid point 29 (14/39) ======================= q-point: (-0.20 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -23.891 0.000 22.377) 32.734 0.928 ( -24.824 0.000 26.750) 36.493 1.474 ( -39.151 0.000 20.950) 44.404 1.834 ( -5.422 0.000 0.595) 5.454 1.987 ( -9.837 0.000 -6.146) 11.599 2.037 ( 0.898 0.000 -3.185) 3.309 2.134 ( -11.289 0.000 6.024) 12.796 2.465 ( 1.549 0.000 -3.349) 3.690 2.571 ( -9.867 0.000 11.423) 15.094 2.615 ( 2.710 0.000 -3.936) 4.778 2.645 ( 3.575 0.000 2.957) 4.640 2.661 ( 5.553 0.000 2.439) 6.065 2.714 ( -4.931 0.000 2.628) 5.587 2.957 ( -4.941 0.000 -6.373) 8.064 2.987 ( 8.890 0.000 -13.560) 16.214 3.228 ( 6.221 0.000 -2.457) 6.688 3.284 ( 0.144 0.000 -2.780) 2.783 3.309 ( 6.158 0.000 0.634) 6.190 3.384 ( -1.570 0.000 -0.890) 1.805 3.514 ( 7.897 0.000 1.348) 8.011 3.542 ( 2.775 0.000 -1.670) 3.238 3.707 ( 10.971 0.000 5.120) 12.107 3.721 ( 6.964 0.000 7.177) 10.000 3.830 ( 3.349 0.000 0.286) 3.361 3.837 ( 5.224 0.000 0.106) 5.225 3.939 ( -2.789 0.000 -0.890) 2.928 3.990 ( -3.599 0.000 1.435) 3.874 3.991 ( 1.086 0.000 -3.476) 3.642 4.049 ( -5.418 0.000 -3.146) 6.265 4.114 ( 0.039 0.000 -4.493) 4.493 4.248 ( 0.034 0.000 -3.323) 3.323 4.255 ( -1.855 0.000 4.252) 4.639 4.368 ( -6.608 0.000 4.424) 7.952 4.376 ( 3.153 0.000 0.344) 3.172 4.429 ( -8.755 0.000 -2.902) 9.223 4.513 ( 7.703 0.000 2.772) 8.186 4.526 ( -2.805 0.000 8.295) 8.757 4.687 ( 0.523 0.000 3.309) 3.350 5.027 ( 4.461 0.000 -11.870) 12.681 5.103 ( -0.991 0.000 1.577) 1.863 5.132 ( -3.629 0.000 0.930) 3.746 5.147 ( 4.295 0.000 4.218) 6.020 5.304 ( -3.659 0.000 -0.475) 3.689 5.377 ( 9.132 0.000 -3.796) 9.890 5.428 ( 16.513 0.000 13.363) 21.242 5.563 ( -4.735 0.000 -4.204) 6.332 5.634 ( 8.599 0.000 -3.236) 9.187 5.668 ( -2.044 0.000 -1.382) 2.468 5.853 ( 3.949 0.000 -3.070) 5.001 5.867 ( -1.895 0.000 -2.728) 3.321 5.924 ( -1.606 0.000 0.110) 1.610 6.063 ( -0.046 0.000 9.291) 9.291 6.069 ( 3.445 0.000 2.660) 4.353 6.130 ( -0.707 0.000 5.348) 5.394 6.197 ( -0.244 0.000 1.841) 1.857 6.226 ( 4.689 0.000 3.062) 5.600 6.289 ( -7.363 0.000 4.852) 8.817 6.365 ( -8.092 0.000 -3.940) 9.000 6.426 ( 6.779 0.000 -3.149) 7.475 6.456 ( 2.339 0.000 3.464) 4.180 6.559 ( 2.691 0.000 6.079) 6.648 6.593 ( 2.481 0.000 0.047) 2.481 6.630 ( 1.910 0.000 -1.269) 2.293 6.648 ( -4.599 0.000 5.188) 6.933 6.691 ( 4.006 0.000 1.387) 4.239 6.710 ( 2.333 0.000 -0.960) 2.522 6.793 ( 0.387 0.000 5.958) 5.970 6.798 ( -3.280 0.000 -3.153) 4.550 6.877 ( -0.435 0.000 -1.253) 1.327 6.933 ( 6.690 0.000 0.908) 6.751 6.939 ( -2.786 0.000 -2.842) 3.979 7.040 ( 3.340 0.000 5.635) 6.550 7.106 ( -2.068 0.000 -0.518) 2.132 7.125 ( -1.155 0.000 3.603) 3.783 7.217 ( -2.759 0.000 1.754) 3.269 7.218 ( 4.689 0.000 1.611) 4.958 7.320 ( -5.051 0.000 -0.032) 5.051 7.329 ( 1.675 0.000 0.722) 1.824 7.390 ( 0.494 0.000 0.112) 0.507 7.401 ( -3.773 0.000 -1.261) 3.978 7.519 ( 2.247 0.000 -1.454) 2.677 7.532 ( -2.927 0.000 -4.222) 5.137 7.618 ( -8.929 0.000 0.171) 8.931 7.636 ( 2.725 0.000 1.044) 2.919 7.723 ( -0.155 0.000 -2.366) 2.371 7.817 ( -2.479 0.000 -3.417) 4.222 7.821 ( 1.805 0.000 7.115) 7.340 7.897 ( 0.180 0.000 -5.973) 5.976 7.910 ( 1.347 0.000 0.566) 1.461 7.927 ( 0.054 0.000 -2.148) 2.148 7.971 ( 0.483 0.000 -2.511) 2.557 8.074 ( -0.554 0.000 -1.514) 1.612 8.115 ( 1.808 0.000 -2.024) 2.713 8.116 ( -1.855 0.000 2.947) 3.482 8.141 ( 1.077 0.000 -5.947) 6.043 8.213 ( 4.688 0.000 -3.930) 6.118 8.258 ( 2.411 0.000 0.412) 2.446 8.322 ( -0.275 0.000 1.426) 1.453 8.373 ( -6.683 0.000 -6.526) 9.341 8.401 ( 3.756 0.000 -7.714) 8.580 8.471 ( 6.479 0.000 -4.253) 7.751 8.477 ( -2.329 0.000 -1.961) 3.044 8.556 ( 4.297 0.000 6.925) 8.150 8.610 ( 4.615 0.000 -2.285) 5.150 8.636 ( -6.844 0.000 10.072) 12.177 8.659 ( -1.601 0.000 -6.156) 6.360 8.803 ( -2.244 0.000 1.247) 2.567 8.848 ( -1.433 0.000 -0.135) 1.439 8.875 ( -0.507 0.000 -3.245) 3.284 8.932 ( 1.083 0.000 7.086) 7.168 8.997 ( -1.987 0.000 -8.314) 8.548 9.021 ( -6.391 0.000 -4.656) 7.907 9.099 ( 5.508 0.000 0.039) 5.509 9.163 ( 0.213 0.000 -2.749) 2.757 9.164 ( 4.056 0.000 0.889) 4.152 9.216 ( -4.328 0.000 3.584) 5.619 9.261 ( 0.084 0.000 0.283) 0.295 9.384 ( -4.879 0.000 -0.519) 4.906 9.416 ( 3.769 0.000 -4.738) 6.054 9.435 ( -4.786 0.000 9.448) 10.591 9.447 ( -4.252 0.000 -0.520) 4.283 9.678 ( -1.831 0.000 -2.587) 3.169 9.786 ( 1.726 0.000 12.991) 13.106 9.789 ( -0.709 0.000 -0.991) 1.219 9.808 ( -1.441 0.000 2.751) 3.106 9.936 ( -0.817 0.000 -9.479) 9.514 9.942 ( 6.237 0.000 -3.691) 7.247 10.095 ( 0.113 0.000 -1.004) 1.010 10.158 ( 1.149 0.000 2.915) 3.134 10.241 ( -0.011 0.000 1.658) 1.658 10.596 ( 1.032 0.000 5.408) 5.506 10.620 ( -1.646 0.000 -0.456) 1.708 10.630 ( -3.160 0.000 -5.172) 6.061 10.962 ( 2.507 0.000 -0.286) 2.523 11.223 ( 4.252 0.000 2.824) 5.105 11.266 ( 5.812 0.000 3.737) 6.910 11.345 ( -2.186 0.000 0.228) 2.198 11.422 ( 0.581 0.000 2.752) 2.812 11.645 ( -3.030 0.000 2.042) 3.654 11.742 ( -0.570 0.000 -0.062) 0.573 11.781 ( -1.178 0.000 1.118) 1.624 11.812 ( 1.671 0.000 -1.336) 2.139 11.899 ( -1.645 0.000 4.526) 4.815 12.064 ( -1.514 0.000 1.971) 2.485 12.081 ( 0.124 0.000 -0.715) 0.726 12.160 ( 5.635 0.000 0.259) 5.641 12.234 ( 0.433 0.000 2.267) 2.308 12.251 ( 5.496 0.000 8.020) 9.722 12.262 ( -0.570 0.000 0.652) 0.867 12.306 ( 1.039 0.000 -2.258) 2.486 12.325 ( -0.157 0.000 0.464) 0.490 12.435 ( -2.635 0.000 -0.250) 2.646 12.540 ( 1.061 0.000 0.069) 1.063 12.550 ( -4.179 0.000 2.265) 4.754 12.562 ( 0.139 0.000 -3.746) 3.749 12.680 ( -1.931 0.000 -4.143) 4.571 12.733 ( -0.921 0.000 4.156) 4.256 12.788 ( 1.023 0.000 1.815) 2.084 12.838 ( 3.664 0.000 1.651) 4.018 12.884 ( 3.642 0.000 1.564) 3.964 12.977 ( 5.019 0.000 -1.786) 5.327 12.989 ( -0.388 0.000 -1.086) 1.153 13.084 ( -6.697 0.000 -1.500) 6.863 13.097 ( -3.250 0.000 -0.139) 3.253 13.125 ( -1.521 0.000 -0.425) 1.580 13.138 ( -1.344 0.000 -1.597) 2.088 13.220 ( 2.904 0.000 -2.044) 3.551 13.255 ( -0.237 0.000 3.474) 3.482 13.293 ( -0.695 0.000 5.779) 5.821 13.364 ( 1.075 0.000 2.710) 2.915 13.590 ( -0.718 0.000 2.866) 2.954 13.681 ( 0.427 0.000 -0.289) 0.516 13.714 ( 2.826 0.000 -2.456) 3.744 13.720 ( -1.818 0.000 -6.615) 6.860 13.723 ( 0.936 0.000 0.128) 0.944 13.862 ( -0.902 0.000 2.482) 2.641 13.888 ( -3.159 0.000 -4.781) 5.730 13.924 ( 3.301 0.000 -1.139) 3.492 13.925 ( -1.413 0.000 0.636) 1.549 14.002 ( 5.671 0.000 1.822) 5.956 14.109 ( -0.212 0.000 0.547) 0.587 14.140 ( 1.094 0.000 -0.250) 1.122 14.225 ( 4.475 0.000 0.285) 4.484 14.246 ( -0.102 0.000 3.233) 3.234 14.345 ( 2.039 0.000 -2.495) 3.223 14.459 ( 0.296 0.000 10.281) 10.285 14.485 ( -2.622 0.000 -1.402) 2.974 14.546 ( -2.008 0.000 -1.266) 2.374 14.638 ( 0.647 0.000 3.074) 3.141 14.717 ( 2.985 0.000 -2.148) 3.678 14.784 ( -0.030 0.000 -5.420) 5.420 14.996 ( -1.585 0.000 -4.843) 5.096 15.126 ( 1.604 0.000 7.440) 7.611 15.209 ( -1.669 0.000 1.540) 2.271 15.236 ( 1.588 0.000 1.909) 2.483 15.431 ( 1.684 0.000 -1.176) 2.054 15.470 ( 2.022 0.000 -0.520) 2.088 15.657 ( -0.621 0.000 -2.616) 2.689 15.765 ( -3.099 0.000 -3.603) 4.752 15.923 ( -5.814 0.000 11.640) 13.011 16.002 ( 0.991 0.000 -2.982) 3.143 16.348 ( 2.722 0.000 -0.193) 2.729 16.351 ( 3.472 0.000 -6.372) 7.257 16.551 ( -3.069 0.000 -6.725) 7.392 16.563 ( 3.809 0.000 7.004) 7.973 16.747 ( -1.349 0.000 0.091) 1.352 16.858 ( 0.103 0.000 -1.036) 1.041 16.945 ( -0.707 0.000 0.439) 0.832 17.118 ( -0.048 0.000 -0.831) 0.832 17.216 ( 0.331 0.000 -3.852) 3.867 17.291 ( 0.645 0.000 2.472) 2.555 17.302 ( 5.979 0.000 2.820) 6.611 17.446 ( 5.760 0.000 -1.442) 5.938 17.598 ( -9.240 0.000 1.686) 9.392 17.633 ( 5.515 0.000 8.749) 10.342 17.659 ( 3.390 0.000 6.013) 6.903 17.745 ( -3.682 0.000 -1.874) 4.132 17.908 ( -5.332 0.000 -1.292) 5.486 17.928 ( -6.060 0.000 6.098) 8.598 17.966 ( 3.726 0.000 -6.880) 7.824 18.129 ( 7.167 0.000 2.268) 7.517 18.179 ( -6.402 0.000 -2.810) 6.992 18.312 ( -2.528 0.000 -0.477) 2.573 18.405 ( 1.430 0.000 -1.367) 1.978 18.539 ( 1.510 0.000 4.760) 4.994 18.575 ( -2.878 0.000 -8.074) 8.572 18.621 ( -1.861 0.000 -5.697) 5.994 18.841 ( 4.325 0.000 -2.974) 5.248 18.943 ( 7.932 0.000 2.277) 8.252 18.970 ( -4.191 0.000 -8.469) 9.449 19.087 ( -0.130 0.000 8.632) 8.633 19.348 ( -6.927 0.000 -1.298) 7.048 19.719 ( 13.502 0.000 24.237) 27.744 20.292 ( 7.279 0.000 -3.263) 7.977 20.325 ( -7.082 0.000 -3.561) 7.927 20.733 ( -3.563 0.000 -3.938) 5.311 21.322 ( 2.595 0.000 4.559) 5.246 21.559 ( 0.466 0.000 -2.084) 2.135 22.522 ( -0.868 0.000 2.926) 3.052 22.846 ( 9.990 0.000 4.617) 11.006 ======================= Grid point 30 (15/39) ======================= q-point: ( 0.00 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.036 ( 0.474 24.787 20.552) 32.203 1.066 ( -1.795 24.459 20.103) 31.711 1.758 ( 0.849 9.084 4.024) 9.972 1.870 ( -4.238 11.379 4.635) 12.997 1.917 ( 7.149 20.680 16.588) 27.458 2.021 ( 1.392 2.464 -1.190) 3.070 2.123 ( -0.318 1.770 5.614) 5.895 2.374 ( -5.927 -3.546 -1.908) 7.165 2.425 ( -4.947 0.144 -0.683) 4.995 2.577 ( -1.431 -2.508 -2.194) 3.626 2.693 ( -0.372 3.075 -4.002) 5.061 2.722 ( -1.991 1.434 -1.336) 2.794 2.774 ( 1.305 2.582 4.141) 5.052 2.952 ( 4.165 1.144 -3.318) 5.447 3.019 ( -2.907 -4.377 -3.496) 6.311 3.192 ( -1.966 -6.814 -6.910) 9.902 3.303 ( 1.158 0.616 -3.339) 3.587 3.337 ( -0.502 0.248 -1.086) 1.222 3.425 ( 2.748 2.237 -0.804) 3.633 3.507 ( 7.694 -5.138 -5.074) 10.552 3.628 ( 5.151 -1.281 2.680) 5.946 3.694 ( -4.820 -1.364 1.465) 5.220 3.747 ( -3.681 0.338 -1.196) 3.885 3.841 ( -3.553 0.903 -1.273) 3.881 3.898 ( 0.175 -4.256 0.248) 4.266 3.923 ( -4.267 5.458 1.106) 7.016 3.974 ( 0.054 -1.891 3.382) 3.875 4.005 ( -0.194 1.381 -0.076) 1.397 4.041 ( 0.540 -1.778 2.367) 3.010 4.132 ( 1.063 0.321 -2.960) 3.161 4.175 ( 6.565 -0.014 -1.130) 6.661 4.271 ( -2.923 -2.726 4.351) 5.908 4.307 ( -0.386 6.592 -1.367) 6.744 4.420 ( -0.659 4.708 0.079) 4.754 4.444 ( 6.220 -1.294 0.445) 6.369 4.559 ( 4.696 -4.587 11.861) 13.557 4.658 ( 1.022 0.223 4.474) 4.594 4.801 ( 5.701 -0.815 -2.637) 6.334 4.841 ( -5.437 -2.462 1.729) 6.214 4.973 ( 2.872 -8.484 -3.254) 9.529 5.052 ( -3.828 -4.659 -3.532) 6.988 5.110 ( -1.384 -1.715 -0.287) 2.223 5.311 ( -2.546 1.297 0.275) 2.871 5.428 ( 0.904 -1.444 2.839) 3.311 5.478 ( 1.018 -0.149 -2.488) 2.692 5.553 ( -4.091 -2.919 -0.608) 5.062 5.627 ( -0.906 -0.885 -6.310) 6.435 5.789 ( -4.673 4.249 0.323) 6.325 5.826 ( 0.594 3.343 -2.017) 3.949 5.951 ( 3.637 0.222 3.714) 5.203 5.994 ( 0.830 -3.159 5.912) 6.755 6.033 ( -2.836 1.031 -1.552) 3.393 6.076 ( 0.948 -0.694 4.829) 4.970 6.164 ( -1.923 0.921 5.912) 6.285 6.187 ( -3.437 -0.705 4.742) 5.899 6.243 ( -4.269 4.004 -2.688) 6.441 6.284 ( -1.656 3.031 -1.846) 3.916 6.355 ( 4.272 -3.328 -1.659) 5.663 6.467 ( 1.003 1.355 -1.128) 2.028 6.498 ( -0.231 2.706 -0.723) 2.810 6.551 ( -1.711 -1.835 -0.866) 2.655 6.585 ( -2.259 -1.187 -0.478) 2.596 6.659 ( 0.203 1.501 -0.133) 1.521 6.681 ( -0.747 3.778 1.390) 4.094 6.745 ( -2.775 2.059 -1.029) 3.605 6.780 ( 4.013 0.819 1.749) 4.454 6.824 ( -1.261 5.802 3.330) 6.807 6.867 ( 0.265 1.630 3.623) 3.982 6.900 ( 4.097 -3.646 -0.525) 5.510 6.964 ( -2.220 0.241 -2.391) 3.271 6.989 ( 0.031 -0.008 -2.304) 2.304 7.001 ( 2.430 2.141 1.229) 3.464 7.075 ( 0.167 -3.067 3.960) 5.012 7.138 ( -2.046 -2.595 -1.745) 3.737 7.169 ( -3.916 -0.034 2.859) 4.849 7.191 ( -0.777 -1.611 2.123) 2.776 7.277 ( -2.806 -1.245 2.943) 4.253 7.344 ( 6.353 -3.247 2.971) 7.729 7.369 ( 0.921 1.204 -0.169) 1.525 7.487 ( -0.925 -0.764 -2.241) 2.542 7.497 ( 2.909 2.293 -2.282) 4.351 7.558 ( 3.473 1.090 -1.700) 4.018 7.582 ( 0.425 -3.605 2.276) 4.284 7.612 ( 0.454 1.455 -0.803) 1.723 7.663 ( -1.458 -1.973 -3.218) 4.047 7.730 ( 0.536 -2.423 -0.822) 2.614 7.761 ( 0.475 -1.226 -1.925) 2.331 7.875 ( -1.605 -2.257 -0.771) 2.875 7.917 ( 1.126 -1.676 -1.043) 2.273 7.953 ( -0.408 1.327 0.595) 1.511 8.017 ( 1.136 -1.037 -0.303) 1.568 8.043 ( 0.353 -2.767 -3.344) 4.354 8.086 ( 1.006 0.426 2.695) 2.908 8.095 ( -1.170 -0.536 -5.927) 6.065 8.135 ( 2.333 1.026 0.017) 2.549 8.201 ( 2.434 0.207 -4.129) 4.798 8.271 ( 0.501 -1.924 -3.165) 3.738 8.313 ( 3.867 -4.478 -6.882) 9.076 8.361 ( 0.825 3.115 3.413) 4.693 8.418 ( -0.211 1.774 -0.432) 1.838 8.449 ( -0.738 0.185 -0.626) 0.985 8.513 ( -2.003 0.266 -2.013) 2.852 8.553 ( -3.332 -0.263 -1.162) 3.539 8.591 ( -1.755 0.758 -3.896) 4.340 8.652 ( 1.038 1.242 0.053) 1.620 8.705 ( 4.419 -0.723 0.365) 4.493 8.769 ( -0.489 0.579 -1.972) 2.112 8.804 ( -3.547 -1.526 -2.698) 4.710 8.869 ( 2.305 -0.811 2.238) 3.314 8.912 ( 0.821 -1.691 -0.989) 2.124 8.926 ( 1.559 -0.346 -0.205) 1.610 9.001 ( -0.346 -3.459 1.472) 3.775 9.093 ( -4.281 1.238 5.916) 7.407 9.157 ( -0.250 1.859 -0.547) 1.954 9.161 ( 3.800 -2.747 -2.490) 5.309 9.215 ( -0.753 -0.537 0.883) 1.278 9.237 ( -0.644 -1.425 -3.293) 3.646 9.305 ( -3.456 0.846 2.669) 4.448 9.376 ( -5.047 0.992 3.151) 6.032 9.409 ( 1.921 -0.775 2.428) 3.191 9.483 ( 1.486 -2.317 -0.466) 2.792 9.639 ( -3.324 -0.946 -0.178) 3.460 9.643 ( 0.279 -1.596 -1.715) 2.359 9.686 ( 1.055 -5.075 -0.612) 5.220 9.804 ( 0.927 -2.753 -1.261) 3.167 9.933 ( 2.261 -2.903 2.168) 4.271 10.027 ( 2.411 1.006 2.377) 3.532 10.135 ( 1.350 0.476 2.185) 2.612 10.172 ( -0.989 0.406 2.221) 2.465 10.247 ( -0.306 0.051 -1.187) 1.227 10.597 ( -3.330 4.836 -1.252) 6.003 10.635 ( -0.008 5.606 -0.230) 5.610 10.727 ( 2.288 1.991 3.771) 4.839 10.949 ( -1.771 -1.758 -1.266) 2.798 11.225 ( -2.500 -0.941 2.129) 3.416 11.303 ( -0.613 -4.539 6.084) 7.616 11.369 ( 1.920 1.221 1.127) 2.540 11.429 ( -1.045 1.670 -0.616) 2.064 11.625 ( -0.383 0.403 3.067) 3.117 11.692 ( 0.024 -3.216 1.009) 3.371 11.741 ( -0.380 -1.257 -0.925) 1.606 11.800 ( -0.202 -2.127 -0.949) 2.338 11.940 ( -0.492 3.166 2.603) 4.128 12.033 ( -2.508 0.411 2.538) 3.592 12.077 ( -0.853 2.974 -1.358) 3.379 12.195 ( 0.095 -5.794 0.437) 5.812 12.237 ( -0.058 -1.749 1.404) 2.243 12.250 ( -1.256 0.664 0.723) 1.594 12.282 ( 2.090 -0.323 1.139) 2.402 12.301 ( 1.587 -2.395 3.703) 4.687 12.405 ( 3.392 -0.529 1.554) 3.768 12.428 ( -0.132 -3.007 1.809) 3.512 12.460 ( 1.380 -0.745 1.634) 2.265 12.541 ( -1.362 0.113 -2.016) 2.435 12.567 ( 0.431 -0.106 -0.822) 0.934 12.621 ( -0.822 0.720 -2.286) 2.534 12.702 ( -3.229 -1.053 2.221) 4.058 12.766 ( -0.908 -0.421 1.274) 1.620 12.800 ( -0.356 -0.414 -0.424) 0.692 12.873 ( -1.009 -8.339 0.586) 8.420 12.915 ( -3.721 -2.789 -0.242) 4.657 12.969 ( 1.962 -0.024 -1.865) 2.708 13.027 ( 0.454 2.153 -0.520) 2.261 13.048 ( 1.243 -1.456 0.482) 1.974 13.106 ( 0.929 1.525 -1.852) 2.573 13.137 ( 2.264 -0.584 -1.575) 2.819 13.211 ( -0.002 -1.693 0.783) 1.865 13.227 ( 0.289 -0.817 2.971) 3.095 13.315 ( -2.024 1.353 2.854) 3.751 13.502 ( 1.074 -2.484 3.601) 4.504 13.534 ( -6.759 2.907 -3.139) 7.999 13.680 ( 3.191 0.819 -3.025) 4.472 13.697 ( 1.128 4.248 2.092) 4.868 13.756 ( 0.993 -0.479 -1.192) 1.624 13.808 ( 1.547 -1.237 0.812) 2.141 13.840 ( -0.160 3.533 -1.902) 4.016 13.897 ( -0.944 -0.023 1.501) 1.774 13.945 ( -0.628 1.035 -1.409) 1.858 14.019 ( 1.505 4.221 0.245) 4.488 14.108 ( -1.520 -0.530 1.317) 2.080 14.140 ( 3.112 3.717 0.782) 4.910 14.204 ( 0.558 3.638 1.331) 3.914 14.215 ( -0.975 4.650 1.752) 5.064 14.254 ( -2.208 2.517 -1.296) 3.590 14.327 ( -1.100 0.416 -0.294) 1.212 14.446 ( -2.389 0.966 3.055) 3.997 14.481 ( -0.279 -0.819 1.627) 1.843 14.547 ( -2.656 1.093 -0.984) 3.036 14.623 ( 1.040 -1.479 -0.849) 1.997 14.711 ( 0.043 -0.808 -0.300) 0.863 14.909 ( 2.438 3.145 0.387) 3.998 14.941 ( -0.782 0.188 -1.317) 1.543 15.009 ( -4.917 1.478 3.075) 5.985 15.086 ( -0.599 -7.998 3.326) 8.683 15.205 ( 3.342 -3.795 -1.016) 5.158 15.392 ( -0.021 -5.275 -3.549) 6.357 15.438 ( -0.187 -6.029 -1.217) 6.153 15.594 ( 0.431 -5.626 3.441) 6.609 15.758 ( -0.487 0.829 2.243) 2.441 15.985 ( 0.464 -1.359 -5.280) 5.472 16.043 ( -3.211 9.218 0.116) 9.762 16.393 ( 3.831 1.204 -4.302) 5.885 16.429 ( -1.699 -0.945 -2.699) 3.326 16.489 ( 2.949 2.796 -4.682) 6.200 16.652 ( -3.157 -0.877 0.125) 3.279 16.732 ( 2.366 -1.776 -1.857) 3.493 16.868 ( -1.767 -1.257 -5.387) 5.807 16.909 ( 0.059 -1.299 -0.687) 1.471 17.138 ( 1.399 -0.354 2.185) 2.619 17.227 ( 3.874 0.147 2.132) 4.424 17.318 ( -3.762 -0.379 1.070) 3.930 17.341 ( -0.435 -3.160 1.027) 3.351 17.466 ( -0.038 -1.268 2.423) 2.736 17.561 ( 2.644 -0.895 -3.477) 4.459 17.621 ( -2.282 -3.174 3.747) 5.415 17.683 ( -0.631 -4.506 -1.547) 4.805 17.773 ( -0.205 0.152 1.258) 1.283 17.797 ( 5.814 -3.626 2.817) 7.408 17.875 ( -2.735 3.826 2.460) 5.308 18.094 ( -0.297 0.637 -3.063) 3.143 18.203 ( 2.590 9.554 -3.773) 10.593 18.265 ( -1.303 0.863 2.410) 2.873 18.307 ( 0.574 2.378 2.473) 3.478 18.395 ( 0.600 2.262 -0.652) 2.430 18.526 ( -1.935 6.141 -1.087) 6.530 18.606 ( 0.300 0.887 0.465) 1.046 18.676 ( -0.585 4.241 -2.851) 5.144 18.806 ( -0.514 -1.447 -3.228) 3.575 18.894 ( -1.230 3.695 -4.416) 5.888 19.080 ( 0.712 0.375 -0.798) 1.133 19.141 ( -2.391 -1.415 4.584) 5.360 19.249 ( 4.594 -1.600 0.467) 4.887 20.063 ( -12.549 -1.350 5.564) 13.794 20.133 ( 8.656 -6.501 6.630) 12.694 20.636 ( 13.496 5.689 -12.036) 18.957 20.678 ( -0.382 1.425 -5.647) 5.836 21.382 ( -1.050 1.996 2.898) 3.672 21.544 ( 1.190 -1.552 -1.158) 2.273 22.535 ( 0.171 0.195 3.827) 3.836 22.689 ( -10.942 -7.766 6.085) 14.733 ======================= Grid point 31 (16/39) ======================= q-point: ( 0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.337 ( 17.409 11.106 25.094) 32.498 1.354 ( 18.395 17.037 16.484) 30.006 1.794 ( 3.612 1.738 -3.240) 5.154 1.911 ( 5.039 0.084 -6.010) 7.843 1.986 ( 1.731 -0.056 -0.740) 1.883 2.122 ( -0.303 5.394 5.632) 7.804 2.190 ( -7.505 1.265 2.154) 7.909 2.348 ( -0.159 -2.999 -2.658) 4.011 2.452 ( 10.738 13.116 8.947) 19.168 2.475 ( -1.840 8.420 6.825) 10.994 2.626 ( 0.675 3.032 -10.663) 11.106 2.742 ( 2.036 -0.912 1.920) 2.944 2.796 ( 0.370 0.111 2.697) 2.724 2.908 ( -4.143 -3.180 -7.076) 8.795 3.052 ( 5.695 -0.066 1.374) 5.859 3.156 ( 2.167 -6.964 -0.541) 7.313 3.275 ( -0.132 -0.113 -4.980) 4.983 3.306 ( -4.011 -1.346 -0.544) 4.265 3.446 ( 0.300 0.939 3.676) 3.806 3.497 ( -10.152 -5.053 0.693) 11.361 3.561 ( -8.005 -2.505 -2.767) 8.832 3.655 ( -4.189 0.579 -2.321) 4.823 3.656 ( 4.092 2.921 -2.637) 5.677 3.770 ( -5.771 -1.376 -0.533) 5.957 3.843 ( -3.329 3.960 2.107) 5.586 3.895 ( 4.911 2.506 -1.361) 5.679 3.989 ( 1.964 -1.048 -1.700) 2.801 4.024 ( -1.527 0.846 2.127) 2.752 4.157 ( 4.412 -1.271 2.230) 5.105 4.209 ( 1.791 2.112 -3.094) 4.152 4.243 ( 4.594 0.239 0.529) 4.630 4.281 ( -0.188 -0.820 4.248) 4.331 4.305 ( 2.420 -3.089 3.828) 5.482 4.452 ( 1.318 5.608 -4.046) 7.040 4.522 ( -1.475 -3.832 7.330) 8.402 4.579 ( -5.859 4.180 0.689) 7.230 4.659 ( 0.960 -3.119 8.511) 9.115 4.799 ( 4.719 5.223 1.674) 7.235 4.813 ( -10.864 -3.710 -1.646) 11.597 4.953 ( 0.457 -0.428 -0.649) 0.902 5.003 ( 0.634 -4.134 -5.396) 6.827 5.110 ( 0.264 5.194 2.581) 5.805 5.259 ( -17.716 3.640 3.792) 18.479 5.356 ( -3.132 1.442 -3.697) 5.055 5.424 ( 1.734 0.335 2.687) 3.215 5.507 ( -2.497 -1.829 -3.336) 4.551 5.545 ( 0.051 -4.315 -6.678) 7.951 5.714 ( -0.860 0.185 -0.238) 0.912 5.823 ( -0.255 0.106 0.331) 0.431 5.955 ( -2.023 4.294 -0.863) 4.825 5.978 ( -3.858 -4.009 2.573) 6.130 6.069 ( 3.182 -1.586 3.094) 4.714 6.122 ( -0.401 1.259 0.138) 1.328 6.144 ( -1.822 0.062 3.418) 3.874 6.186 ( 1.990 2.644 2.534) 4.168 6.195 ( 0.770 1.112 4.952) 5.133 6.304 ( 2.811 1.107 0.571) 3.074 6.373 ( -0.742 -3.259 -0.418) 3.368 6.436 ( -2.933 1.719 1.578) 3.748 6.463 ( -1.211 0.052 -1.204) 1.708 6.525 ( 1.433 1.316 -2.060) 2.833 6.549 ( -3.510 -0.029 1.509) 3.820 6.629 ( -1.710 3.877 -2.180) 4.765 6.646 ( -1.976 0.125 0.767) 2.123 6.702 ( -2.266 3.249 0.090) 3.963 6.791 ( -3.523 1.675 -1.495) 4.177 6.829 ( -1.326 4.802 2.876) 5.752 6.883 ( 0.184 2.320 0.477) 2.376 6.913 ( 1.178 1.549 1.855) 2.689 6.919 ( 1.545 -1.524 -0.705) 2.282 6.998 ( -4.848 0.217 2.926) 5.667 7.072 ( -1.191 0.171 -0.534) 1.316 7.104 ( 3.507 -0.501 -0.038) 3.543 7.124 ( 3.696 -6.785 1.388) 7.850 7.185 ( 6.189 -2.058 4.160) 7.736 7.211 ( 0.976 -1.737 0.794) 2.145 7.283 ( 1.158 0.749 3.940) 4.174 7.326 ( -2.531 0.823 -0.426) 2.695 7.447 ( 1.502 -4.899 0.304) 5.133 7.461 ( -1.569 -2.043 -2.498) 3.588 7.505 ( -1.998 -1.401 -4.615) 5.221 7.528 ( -4.932 -0.805 -0.487) 5.021 7.612 ( 0.389 -0.823 2.806) 2.950 7.637 ( 2.141 0.753 0.131) 2.273 7.660 ( 3.721 -1.728 -1.746) 4.459 7.702 ( -0.510 -1.855 -3.064) 3.618 7.810 ( 1.755 -1.075 0.108) 2.061 7.903 ( -0.240 -2.098 2.499) 3.272 7.917 ( 0.884 0.398 0.102) 0.975 7.960 ( 0.132 -1.736 1.532) 2.319 7.999 ( -4.505 -1.730 -1.862) 5.173 8.014 ( 1.152 -1.144 -1.829) 2.445 8.061 ( 1.599 -1.438 -3.022) 3.709 8.163 ( 5.128 0.078 -1.304) 5.292 8.203 ( 4.002 0.672 -1.720) 4.408 8.236 ( 2.313 -0.827 -4.033) 4.722 8.255 ( 0.439 -2.306 -3.273) 4.028 8.298 ( -1.106 -1.310 -5.285) 5.556 8.371 ( -0.235 0.669 -3.938) 4.001 8.400 ( -4.296 1.571 -1.904) 4.955 8.433 ( 1.639 2.777 6.136) 6.932 8.484 ( -2.003 3.925 -0.075) 4.407 8.505 ( 1.653 1.832 -5.082) 5.650 8.579 ( 1.362 -2.973 -4.670) 5.701 8.642 ( -2.588 -1.888 0.084) 3.205 8.680 ( 0.176 0.487 -7.460) 7.478 8.751 ( 0.470 -2.935 3.810) 4.832 8.834 ( 2.380 -0.643 -0.803) 2.593 8.880 ( -0.179 0.236 2.811) 2.826 8.900 ( 0.688 -2.112 -5.146) 5.605 8.983 ( -2.400 2.779 0.245) 3.680 8.998 ( -0.928 -4.936 0.085) 5.023 9.043 ( 2.137 -1.675 2.002) 3.374 9.113 ( -5.786 1.960 -0.117) 6.111 9.182 ( -1.286 -0.430 3.090) 3.375 9.209 ( 1.544 -2.318 -1.281) 3.066 9.248 ( 1.417 -0.720 0.025) 1.590 9.319 ( 3.520 -0.477 4.065) 5.398 9.366 ( -0.059 -2.534 6.199) 6.697 9.471 ( 2.322 -0.735 1.669) 2.952 9.500 ( 2.191 -1.307 -0.684) 2.641 9.637 ( 1.242 0.710 2.583) 2.953 9.695 ( 5.201 -2.577 -2.406) 6.283 9.726 ( 3.441 -1.456 -3.452) 5.087 9.798 ( -0.796 -0.714 -1.597) 1.922 9.931 ( -1.792 -1.775 -1.464) 2.916 10.051 ( -0.856 1.284 4.072) 4.355 10.140 ( -2.639 -0.512 2.438) 3.629 10.169 ( -0.338 0.909 2.260) 2.459 10.222 ( -1.410 0.261 -2.337) 2.742 10.536 ( -2.895 4.859 1.050) 5.753 10.679 ( 3.929 3.740 0.214) 5.428 10.774 ( 0.930 1.227 3.556) 3.875 10.890 ( -3.029 -1.025 -2.719) 4.197 11.165 ( -3.862 0.912 1.164) 4.135 11.287 ( -3.737 -2.829 6.920) 8.358 11.367 ( -2.958 1.528 -0.834) 3.432 11.410 ( 0.015 0.209 1.894) 1.906 11.665 ( 2.364 -0.325 2.344) 3.345 11.698 ( 0.182 -2.259 0.195) 2.275 11.734 ( 0.098 -1.854 -0.286) 1.878 11.785 ( -0.980 -2.374 0.102) 2.570 11.946 ( -0.115 3.859 3.204) 5.017 11.998 ( -1.458 0.212 1.139) 1.862 12.071 ( 0.008 4.044 -1.096) 4.190 12.178 ( -1.077 -4.988 0.157) 5.105 12.213 ( -2.689 -0.363 1.699) 3.202 12.266 ( 1.141 -0.753 2.104) 2.509 12.323 ( 0.208 -0.237 2.725) 2.743 12.340 ( 1.630 -0.637 1.354) 2.212 12.372 ( -2.149 -0.979 0.526) 2.420 12.480 ( 2.269 0.287 -1.242) 2.603 12.501 ( 1.232 0.981 -0.607) 1.687 12.536 ( 1.490 -2.167 -1.384) 2.972 12.574 ( -0.077 -0.207 2.390) 2.400 12.618 ( 1.535 1.820 -5.591) 6.077 12.677 ( 0.434 -0.904 2.408) 2.609 12.756 ( -1.216 0.603 0.980) 1.674 12.792 ( 0.039 -0.031 -1.226) 1.227 12.858 ( -2.120 -0.656 1.820) 2.870 12.879 ( -0.089 -6.912 -0.863) 6.966 12.933 ( -2.072 -0.129 -1.837) 2.772 13.032 ( 0.741 -0.395 -0.399) 0.930 13.062 ( -1.739 -0.274 0.079) 1.763 13.146 ( 1.278 -2.911 0.317) 3.195 13.150 ( 1.999 -3.347 -0.837) 3.987 13.212 ( -0.246 -0.749 1.942) 2.096 13.265 ( 1.572 -0.712 2.262) 2.845 13.300 ( 0.250 1.134 0.489) 1.260 13.382 ( -7.421 0.985 1.612) 7.658 13.531 ( 0.463 -0.488 1.574) 1.712 13.689 ( -1.059 0.018 1.192) 1.595 13.723 ( 0.990 1.756 -1.724) 2.652 13.776 ( 2.143 -0.080 -3.594) 4.185 13.812 ( -0.151 2.491 -1.776) 3.063 13.866 ( -0.089 -2.047 -0.211) 2.060 13.904 ( 5.525 4.789 1.122) 7.397 13.939 ( -0.951 4.191 0.785) 4.368 14.063 ( 2.150 2.115 -0.334) 3.034 14.082 ( -1.637 2.002 -0.820) 2.713 14.152 ( -1.841 2.213 -0.412) 2.908 14.172 ( -3.203 3.252 0.304) 4.574 14.206 ( -0.522 5.435 0.552) 5.488 14.258 ( 2.912 2.314 1.287) 3.936 14.325 ( -0.123 3.956 3.044) 4.993 14.404 ( -2.740 0.930 1.516) 3.266 14.450 ( -2.867 -0.721 0.271) 2.969 14.533 ( -0.175 -1.944 -0.143) 1.957 14.624 ( 1.084 0.046 -1.949) 2.231 14.733 ( 1.242 0.778 3.227) 3.544 14.912 ( -0.522 0.401 -5.475) 5.515 14.967 ( 1.980 0.678 1.699) 2.696 14.982 ( 1.399 2.816 1.416) 3.449 15.084 ( -0.609 -7.772 2.131) 8.082 15.290 ( 3.828 -2.441 1.261) 4.713 15.346 ( -2.576 -4.607 -3.196) 6.170 15.457 ( 2.575 -11.397 0.451) 11.693 15.577 ( -3.820 -1.988 2.284) 4.875 15.769 ( 0.618 0.551 0.974) 1.278 15.954 ( -0.847 0.283 -4.260) 4.352 16.004 ( -0.421 8.029 0.783) 8.078 16.375 ( -2.442 -1.267 0.394) 2.779 16.428 ( 1.018 0.662 -3.945) 4.128 16.511 ( -0.230 2.371 -3.629) 4.341 16.601 ( -0.073 2.021 -0.319) 2.048 16.764 ( 0.565 0.639 -0.729) 1.122 16.825 ( 2.718 -4.767 -2.852) 6.184 16.913 ( 0.870 -1.766 -0.030) 1.969 17.181 ( -0.901 -3.412 0.115) 3.531 17.221 ( -2.243 -3.941 0.017) 4.535 17.257 ( -10.180 -0.063 -1.098) 10.239 17.333 ( 1.445 0.382 -0.048) 1.496 17.430 ( -3.373 0.396 6.484) 7.320 17.499 ( -4.574 -1.569 5.210) 7.109 17.610 ( -2.468 -1.654 0.711) 3.055 17.670 ( 3.438 -2.912 -0.957) 4.607 17.694 ( 0.255 -0.225 -2.132) 2.159 17.893 ( 3.324 4.155 -1.143) 5.442 17.941 ( 2.126 -2.000 4.867) 5.675 18.142 ( -0.802 7.988 1.748) 8.217 18.208 ( 4.714 -0.713 -2.460) 5.365 18.296 ( -1.145 5.110 -4.978) 7.225 18.353 ( 3.548 5.159 4.065) 7.466 18.399 ( 1.951 1.364 -4.013) 4.666 18.531 ( 2.286 -1.126 -0.525) 2.602 18.559 ( -5.432 0.854 3.596) 6.570 18.679 ( 2.073 3.022 -2.465) 4.416 18.772 ( -0.396 0.472 -2.855) 2.921 18.907 ( 1.832 2.692 -2.484) 4.096 18.932 ( -7.407 2.711 -4.068) 8.875 19.195 ( 1.781 -2.429 4.399) 5.332 19.376 ( 6.167 -2.957 -0.435) 6.853 19.841 ( -14.204 3.127 11.986) 18.846 20.156 ( -4.644 -7.633 1.016) 8.993 20.637 ( -2.806 2.798 -5.870) 7.082 20.721 ( 3.911 0.927 -6.955) 8.033 21.348 ( -3.607 2.759 3.225) 5.569 21.567 ( 1.427 -1.782 -1.412) 2.684 22.545 ( -3.182 -0.736 4.528) 5.583 22.557 ( -1.307 -0.455 4.188) 4.411 ======================= Grid point 32 (17/39) ======================= q-point: ( 0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.704 ( 4.806 6.060 6.278) 9.962 1.748 ( 10.344 9.406 8.305) 16.262 1.843 ( -7.360 4.217 -0.328) 8.489 1.864 ( 3.525 -0.078 -1.181) 3.719 2.028 ( 1.826 -1.278 2.090) 3.056 2.107 ( 5.083 -0.352 6.158) 7.993 2.171 ( -10.258 3.202 -0.833) 10.779 2.209 ( -1.089 3.886 7.738) 8.727 2.356 ( 2.885 -1.766 1.968) 3.913 2.563 ( 1.809 5.513 -7.865) 9.774 2.726 ( -1.100 -1.531 -1.944) 2.708 2.791 ( 3.013 -4.435 -1.090) 5.471 2.860 ( 1.100 -1.519 -2.059) 2.785 2.968 ( 10.987 7.842 3.424) 13.925 3.121 ( 3.151 -1.088 -4.528) 5.623 3.223 ( -2.218 -6.487 -0.329) 6.863 3.257 ( -4.087 -2.791 -1.043) 5.058 3.302 ( 5.700 -8.478 3.087) 10.672 3.380 ( 5.199 0.419 -2.976) 6.005 3.431 ( -6.178 0.484 2.620) 6.728 3.476 ( -0.672 -1.995 -4.100) 4.609 3.552 ( -2.364 -2.392 0.398) 3.387 3.697 ( 3.630 0.603 -0.599) 3.728 3.728 ( -0.034 5.594 0.499) 5.616 3.871 ( 4.643 0.865 0.539) 4.754 3.895 ( -15.375 0.414 -0.127) 15.382 3.954 ( -0.361 2.176 -1.436) 2.632 4.036 ( 3.097 4.408 6.189) 8.204 4.121 ( -0.012 1.114 3.396) 3.574 4.194 ( -3.276 -0.563 2.189) 3.980 4.258 ( -16.777 4.849 0.958) 17.490 4.284 ( -0.441 0.549 -6.023) 6.064 4.355 ( 1.141 -3.248 0.742) 3.522 4.392 ( 2.429 0.008 5.692) 6.189 4.510 ( -4.194 4.411 -4.011) 7.289 4.549 ( -4.377 -0.841 9.877) 10.837 4.606 ( 5.263 -0.235 -1.188) 5.401 4.724 ( -5.926 6.784 10.862) 14.111 4.828 ( -3.796 1.614 3.100) 5.160 4.893 ( -1.363 0.123 -3.669) 3.916 4.983 ( -1.633 2.146 1.959) 3.333 5.088 ( 7.320 1.137 0.956) 7.469 5.145 ( 0.198 2.806 -0.059) 2.814 5.320 ( 1.998 2.432 -3.725) 4.876 5.387 ( -4.226 -0.185 -8.536) 9.527 5.557 ( 3.180 -2.120 3.959) 5.503 5.600 ( 5.470 -4.236 -0.959) 6.984 5.708 ( 0.904 1.334 -1.699) 2.342 5.830 ( 1.177 -0.496 0.367) 1.329 5.889 ( -3.628 0.832 -0.601) 3.770 5.953 ( -1.868 -1.787 5.119) 5.734 6.050 ( -3.467 -3.645 -0.081) 5.031 6.121 ( -0.015 2.861 0.157) 2.866 6.149 ( 0.943 -0.168 1.958) 2.180 6.232 ( 0.350 1.000 3.239) 3.408 6.238 ( 0.021 5.442 0.702) 5.487 6.326 ( -0.313 4.037 5.755) 7.037 6.377 ( -0.571 1.458 0.053) 1.567 6.423 ( -1.991 3.887 2.636) 5.101 6.445 ( 1.092 -1.033 2.470) 2.891 6.522 ( 0.655 -2.484 0.919) 2.728 6.565 ( 2.638 0.214 -2.652) 3.747 6.580 ( -2.531 0.929 -2.813) 3.897 6.623 ( -1.923 2.470 -2.265) 3.864 6.679 ( 3.068 2.473 0.172) 3.944 6.730 ( 0.707 -1.399 -1.583) 2.228 6.802 ( -2.869 4.786 -1.784) 5.858 6.855 ( -1.888 -0.173 1.340) 2.322 6.905 ( -2.057 1.902 1.336) 3.104 6.930 ( -2.471 0.158 -0.656) 2.562 7.002 ( 2.229 1.534 3.395) 4.342 7.081 ( -0.581 -3.851 2.413) 4.582 7.121 ( 1.070 -1.541 0.583) 1.965 7.193 ( 1.035 -2.223 -0.632) 2.532 7.205 ( -0.248 3.688 0.243) 3.704 7.259 ( 0.433 -0.971 -0.215) 1.085 7.316 ( -0.837 0.063 0.418) 0.938 7.357 ( -1.674 -1.013 -1.409) 2.411 7.379 ( 2.054 -4.620 1.429) 5.254 7.443 ( -0.818 -0.741 0.071) 1.106 7.466 ( 0.782 -0.909 -1.736) 2.110 7.482 ( -0.825 -1.562 -0.463) 1.826 7.604 ( -1.493 -4.067 1.860) 4.715 7.657 ( 0.118 -3.928 -1.310) 4.142 7.678 ( 1.367 2.211 1.279) 2.897 7.717 ( -0.070 -2.655 0.935) 2.816 7.825 ( 0.051 -4.009 0.079) 4.010 7.892 ( -3.681 -1.263 3.642) 5.330 7.915 ( 0.987 3.487 -1.920) 4.101 7.934 ( -0.987 -2.637 1.652) 3.265 7.982 ( 2.611 -0.861 -3.798) 4.689 8.037 ( 0.364 -2.135 -0.987) 2.380 8.087 ( 3.039 -0.204 -1.730) 3.502 8.178 ( -3.593 -1.480 -3.034) 4.930 8.182 ( -3.672 -2.598 -4.649) 6.469 8.245 ( 2.955 0.766 -8.279) 8.824 8.263 ( 1.745 -1.417 -3.467) 4.132 8.304 ( 2.517 0.417 -3.277) 4.153 8.346 ( 0.799 -0.495 -6.488) 6.556 8.380 ( 2.911 1.182 1.341) 3.416 8.414 ( -3.382 3.778 -2.118) 5.496 8.495 ( -1.348 -0.181 -4.528) 4.727 8.512 ( 1.523 -0.193 -0.430) 1.594 8.559 ( 2.442 1.127 3.913) 4.748 8.603 ( -2.578 0.049 -1.056) 2.787 8.706 ( 1.493 -5.277 -3.852) 6.702 8.795 ( 0.701 -2.362 6.501) 6.952 8.845 ( 1.292 2.909 2.357) 3.960 8.866 ( -0.299 -5.295 -1.184) 5.434 8.931 ( 0.851 -2.303 -1.245) 2.753 8.965 ( 2.391 1.167 -3.574) 4.456 8.991 ( 1.681 -2.042 -0.047) 2.645 9.044 ( -0.693 0.605 -0.016) 0.920 9.077 ( 0.323 1.201 -1.306) 1.804 9.202 ( -1.661 1.553 2.188) 3.155 9.222 ( 3.537 -4.262 3.934) 6.793 9.259 ( -0.255 -0.071 -0.274) 0.380 9.387 ( 0.119 0.537 4.861) 4.892 9.396 ( 0.199 -3.292 3.601) 4.884 9.469 ( -2.252 -2.200 1.010) 3.306 9.561 ( 2.293 2.854 0.150) 3.664 9.673 ( 1.371 -1.388 2.866) 3.467 9.727 ( -1.204 -0.704 -0.727) 1.573 9.765 ( -0.200 -0.197 -1.415) 1.443 9.791 ( 2.546 -3.392 -4.240) 5.997 9.887 ( -1.292 -1.651 -1.871) 2.810 10.058 ( -0.043 1.878 3.013) 3.551 10.090 ( -3.596 -0.083 1.597) 3.936 10.152 ( -1.706 0.103 -1.270) 2.129 10.198 ( 0.387 -0.313 0.520) 0.720 10.509 ( -0.758 4.497 3.467) 5.729 10.736 ( 0.094 -0.390 0.748) 0.849 10.805 ( 1.620 2.860 1.184) 3.494 10.833 ( -0.808 1.677 -2.511) 3.125 11.120 ( -1.175 1.602 1.538) 2.513 11.239 ( -3.902 -0.880 3.902) 5.588 11.336 ( -0.085 0.499 2.060) 2.121 11.409 ( -1.136 -0.200 1.664) 2.025 11.686 ( -0.046 -1.497 -0.397) 1.549 11.716 ( 0.609 -2.325 1.055) 2.625 11.739 ( 0.156 -2.321 -0.215) 2.336 11.772 ( -0.528 -2.285 1.804) 2.959 11.955 ( -1.070 3.233 4.446) 5.600 12.005 ( 1.756 0.327 -0.165) 1.794 12.059 ( -0.499 2.972 -0.543) 3.062 12.167 ( -1.267 -1.570 2.372) 3.114 12.186 ( 0.070 0.652 -0.137) 0.670 12.279 ( -0.978 1.226 1.905) 2.467 12.318 ( -2.138 1.198 -0.508) 2.503 12.326 ( -0.501 -1.321 1.012) 1.738 12.381 ( -0.493 -0.294 -0.166) 0.597 12.459 ( -0.424 -2.607 -1.730) 3.157 12.539 ( 0.041 -0.041 -2.564) 2.564 12.546 ( 0.567 0.632 -2.380) 2.527 12.607 ( 3.005 -0.619 2.782) 4.142 12.648 ( 4.094 0.446 -2.441) 4.787 12.717 ( -2.518 1.541 0.345) 2.972 12.723 ( 2.681 2.304 1.466) 3.827 12.790 ( -0.070 -0.229 -1.019) 1.047 12.833 ( -1.602 1.209 1.251) 2.365 12.847 ( -1.283 0.130 1.707) 2.140 12.958 ( 3.705 -7.956 -1.591) 8.919 13.007 ( -1.969 -3.924 0.271) 4.399 13.050 ( -0.228 1.845 -0.715) 1.991 13.133 ( -0.616 -5.036 -1.698) 5.350 13.195 ( -0.901 -4.174 3.025) 5.233 13.210 ( -0.831 -2.021 1.930) 2.915 13.260 ( -1.382 -0.958 1.467) 2.232 13.309 ( 0.305 -2.101 1.377) 2.530 13.339 ( 0.890 1.223 0.922) 1.771 13.546 ( 0.426 -0.147 1.631) 1.692 13.678 ( -0.581 -1.600 1.056) 2.004 13.714 ( -0.196 1.297 -3.009) 3.282 13.774 ( -1.074 3.459 -2.947) 4.670 13.811 ( 0.974 1.125 -1.525) 2.131 13.884 ( 0.899 0.445 0.098) 1.008 13.924 ( 0.072 2.204 -1.391) 2.607 13.970 ( -0.580 4.888 -3.137) 5.837 14.046 ( 0.701 3.554 2.622) 4.472 14.104 ( -0.024 0.152 0.445) 0.471 14.119 ( -0.756 3.430 0.893) 3.624 14.125 ( -0.475 3.866 -2.268) 4.507 14.201 ( -0.587 5.616 -1.097) 5.752 14.301 ( 0.416 4.250 1.615) 4.565 14.327 ( -1.458 4.546 0.952) 4.868 14.383 ( 0.367 4.348 3.287) 5.463 14.438 ( 0.955 -3.596 4.970) 6.209 14.514 ( -0.265 -3.408 -3.067) 4.592 14.654 ( 1.733 1.245 0.302) 2.155 14.769 ( 0.433 2.701 2.645) 3.805 14.865 ( -0.589 0.772 -7.514) 7.577 15.005 ( 1.288 -0.409 1.674) 2.151 15.037 ( 2.310 0.031 3.408) 4.117 15.093 ( 0.245 -4.923 2.521) 5.537 15.274 ( -3.116 -5.025 -2.838) 6.558 15.341 ( 1.501 -2.235 0.297) 2.708 15.497 ( -4.721 1.306 0.449) 4.919 15.515 ( 2.839 -13.723 -0.444) 14.020 15.780 ( 0.241 -1.115 -0.398) 1.208 15.942 ( 1.051 0.984 -1.300) 1.940 16.028 ( 1.748 6.404 2.626) 7.139 16.331 ( -3.992 -3.100 3.101) 5.930 16.382 ( -1.337 3.632 -2.903) 4.838 16.509 ( 1.235 3.677 -2.147) 4.434 16.634 ( 2.952 2.632 -2.576) 4.719 16.774 ( 1.109 -3.358 -1.192) 3.732 16.899 ( 3.644 0.031 -3.488) 5.045 16.951 ( 4.104 -5.293 0.908) 6.759 17.033 ( -10.238 -0.039 -1.897) 10.412 17.141 ( -1.491 -6.211 1.154) 6.491 17.185 ( -1.803 -4.334 0.188) 4.698 17.281 ( -3.901 -2.425 -0.540) 4.625 17.384 ( -2.744 -1.778 2.200) 3.941 17.496 ( -2.553 -3.820 1.088) 4.721 17.619 ( 1.446 2.016 3.871) 4.598 17.725 ( 3.933 1.627 -0.486) 4.284 17.764 ( 4.763 1.008 1.418) 5.071 17.897 ( -3.000 2.340 1.476) 4.081 18.007 ( 3.712 6.409 1.940) 7.656 18.116 ( -3.626 3.391 -0.278) 4.972 18.219 ( -1.472 1.412 -1.258) 2.397 18.299 ( 4.399 2.494 -0.845) 5.127 18.350 ( -0.770 2.281 -4.357) 4.978 18.464 ( 0.979 4.169 5.893) 7.284 18.512 ( -3.470 -2.126 -1.497) 4.337 18.532 ( 0.944 5.485 -2.138) 5.963 18.692 ( 1.238 -1.971 -0.779) 2.455 18.759 ( -0.084 1.097 -3.927) 4.078 18.835 ( -0.529 1.721 -2.626) 3.184 18.953 ( 3.323 4.361 -0.172) 5.486 19.220 ( -0.766 -1.398 1.443) 2.150 19.444 ( 1.387 -3.834 -1.180) 4.244 19.682 ( -9.059 4.020 12.715) 16.121 20.078 ( -2.240 -6.428 0.789) 6.852 20.548 ( -3.194 3.437 -4.648) 6.605 20.762 ( 3.497 -1.668 -7.000) 8.001 21.300 ( -2.795 4.118 4.132) 6.469 21.574 ( 0.109 -1.891 -1.819) 2.626 22.538 ( -0.996 -1.081 3.455) 3.755 22.572 ( 1.540 -1.352 2.315) 3.092 ======================= Grid point 33 (18/39) ======================= q-point: (-0.40 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -22.513 14.223 0.551) 26.635 1.516 ( -19.810 15.420 11.589) 27.650 1.909 ( -2.074 2.135 -1.750) 3.453 1.941 ( -0.844 0.741 0.229) 1.147 1.988 ( -1.889 -0.109 -3.615) 4.080 2.071 ( 1.483 0.126 -0.023) 1.488 2.319 ( 6.221 -3.102 7.890) 10.515 2.413 ( 10.765 -1.014 12.683) 16.667 2.468 ( 7.392 2.812 5.176) 9.452 2.573 ( 1.380 7.711 -3.798) 8.705 2.718 ( 2.231 0.313 -3.669) 4.306 2.788 ( -4.345 -5.974 -0.613) 7.413 2.832 ( -9.165 2.809 -1.758) 9.745 3.046 ( 1.640 4.545 -3.911) 6.216 3.119 ( -18.070 2.110 6.132) 19.198 3.180 ( -2.536 -0.308 -1.810) 3.130 3.206 ( 3.303 -3.438 -1.577) 5.021 3.307 ( -1.956 -1.626 -2.726) 3.728 3.335 ( 2.897 4.140 -2.720) 5.739 3.396 ( -0.468 -4.959 -1.248) 5.135 3.459 ( -3.212 -2.313 3.204) 5.093 3.505 ( 1.200 -6.921 -0.053) 7.025 3.614 ( 4.070 0.714 -3.239) 5.250 3.728 ( 0.042 7.339 0.175) 7.341 3.802 ( 4.483 -0.751 -0.209) 4.550 3.965 ( 5.081 1.183 -7.213) 8.902 3.980 ( 2.351 0.403 -1.464) 2.798 4.039 ( -1.387 5.806 4.378) 7.402 4.108 ( -1.873 -1.171 1.333) 2.580 4.175 ( 1.167 1.284 2.026) 2.668 4.223 ( 1.197 0.335 -7.718) 7.817 4.275 ( -3.387 -2.656 6.810) 8.056 4.363 ( 2.089 -5.785 5.272) 8.101 4.400 ( -3.717 -2.713 -0.362) 4.616 4.445 ( -1.657 3.174 -0.585) 3.628 4.517 ( -4.683 -2.511 6.288) 8.233 4.598 ( -3.519 2.510 3.361) 5.475 4.765 ( -2.007 2.157 -0.058) 2.947 4.839 ( 6.897 7.547 14.121) 17.434 4.980 ( 5.669 -6.006 -1.991) 8.495 5.006 ( 8.800 3.600 1.939) 9.704 5.097 ( -3.442 -3.283 -0.539) 4.787 5.180 ( 0.182 -3.022 3.299) 4.477 5.291 ( -1.868 0.576 0.947) 2.172 5.438 ( 8.175 4.829 -3.789) 10.223 5.578 ( 1.409 2.003 -2.155) 3.262 5.643 ( -1.042 -2.433 0.818) 2.771 5.698 ( 0.085 3.081 -3.928) 4.993 5.840 ( -1.807 0.706 1.236) 2.300 5.896 ( 1.833 1.313 -1.186) 2.548 5.956 ( 0.947 -1.159 5.905) 6.091 6.000 ( -0.697 -1.019 -0.990) 1.583 6.108 ( 0.158 0.399 -1.077) 1.159 6.183 ( 0.342 2.106 1.108) 2.404 6.189 ( -3.963 3.600 -0.118) 5.356 6.220 ( -0.918 3.525 4.818) 6.040 6.344 ( -2.221 1.205 2.213) 3.358 6.395 ( 3.994 2.895 3.348) 5.962 6.446 ( 0.739 -1.025 3.573) 3.790 6.484 ( -3.438 1.358 -0.583) 3.742 6.512 ( 1.041 4.892 2.260) 5.489 6.552 ( 2.051 -0.316 -0.595) 2.159 6.603 ( 3.310 -0.425 -1.538) 3.675 6.621 ( 1.856 0.794 -0.332) 2.046 6.679 ( -1.480 2.020 -3.924) 4.654 6.755 ( 0.399 -1.743 -3.732) 4.138 6.769 ( 0.820 0.941 1.342) 1.832 6.855 ( 2.307 1.597 -1.951) 3.417 6.877 ( -2.674 2.163 4.387) 5.574 6.898 ( 0.490 0.374 -2.166) 2.252 7.046 ( 0.460 1.466 4.064) 4.344 7.057 ( -2.680 0.286 3.350) 4.300 7.088 ( -3.161 5.179 -1.925) 6.365 7.159 ( -2.653 -0.965 -2.174) 3.563 7.185 ( -3.359 -1.885 1.964) 4.324 7.283 ( 1.411 0.179 1.481) 2.053 7.295 ( -0.752 -4.762 -1.242) 4.978 7.317 ( 0.239 0.086 -1.592) 1.613 7.406 ( -0.673 -0.906 0.094) 1.133 7.451 ( 1.037 0.075 -3.621) 3.768 7.474 ( 0.427 -0.367 -0.076) 0.568 7.515 ( 3.480 -1.936 4.560) 6.054 7.589 ( -1.110 -5.668 -0.157) 5.778 7.649 ( -1.856 -0.711 0.642) 2.089 7.713 ( 1.878 -1.044 2.538) 3.325 7.752 ( 1.942 -2.360 0.269) 3.068 7.797 ( -3.033 -5.103 -1.991) 6.261 7.845 ( 0.652 1.072 1.844) 2.230 7.911 ( -0.674 -0.862 -0.433) 1.177 7.950 ( 1.710 1.788 -1.251) 2.772 7.998 ( -1.498 -2.319 -3.923) 4.797 8.046 ( 1.573 -2.130 -0.683) 2.735 8.087 ( -1.115 -1.565 -2.983) 3.548 8.122 ( -0.944 -0.759 0.488) 1.306 8.141 ( 1.835 -3.072 -5.663) 6.699 8.224 ( -1.441 1.819 -6.688) 7.080 8.261 ( 0.225 -0.713 0.817) 1.107 8.278 ( -0.523 -0.410 -10.971) 10.991 8.342 ( 1.901 -0.086 -1.546) 2.451 8.415 ( 5.506 1.497 -2.762) 6.339 8.447 ( 1.235 1.321 -3.366) 3.821 8.493 ( 2.598 0.548 -3.048) 4.042 8.530 ( 0.753 -1.728 -0.822) 2.056 8.552 ( -1.885 1.727 1.913) 3.193 8.619 ( 0.279 -1.983 5.963) 6.291 8.679 ( -0.366 -6.244 -1.570) 6.448 8.801 ( -2.658 -1.907 1.637) 3.658 8.824 ( -2.011 -4.159 -1.318) 4.804 8.892 ( -1.066 1.700 -0.237) 2.021 8.940 ( 2.030 -1.100 3.802) 4.448 8.998 ( 1.112 -1.298 -3.062) 3.507 9.034 ( 1.197 0.058 0.792) 1.436 9.081 ( 4.869 3.002 0.167) 5.723 9.124 ( 4.172 1.016 -2.382) 4.910 9.163 ( -4.120 -0.443 3.173) 5.219 9.229 ( -1.450 -0.421 1.408) 2.065 9.306 ( 0.609 1.228 -0.494) 1.457 9.364 ( -2.465 -2.133 5.098) 6.051 9.393 ( 0.119 -2.799 -3.521) 4.500 9.432 ( -3.365 -2.268 6.403) 7.581 9.559 ( -1.918 2.425 -1.207) 3.319 9.684 ( -0.981 -1.958 -0.994) 2.405 9.722 ( -2.080 -0.125 2.512) 3.264 9.746 ( 1.911 -3.596 1.710) 4.417 9.763 ( -2.953 -3.775 -2.616) 5.460 9.892 ( 2.582 -1.309 -2.525) 3.841 10.010 ( -5.858 0.366 0.480) 5.889 10.076 ( 0.632 -0.864 0.885) 1.389 10.138 ( 1.456 1.750 -0.834) 2.425 10.224 ( 1.172 -0.482 1.062) 1.653 10.551 ( 3.008 3.884 4.757) 6.838 10.706 ( -1.660 -0.003 -2.409) 2.926 10.768 ( -3.750 4.717 -0.025) 6.026 10.892 ( 4.189 0.930 0.620) 4.336 11.142 ( 2.193 0.773 2.241) 3.230 11.206 ( -1.040 -0.198 4.074) 4.210 11.369 ( 1.790 -0.213 2.637) 3.194 11.387 ( -1.695 0.126 0.970) 1.957 11.680 ( -0.766 -0.838 0.047) 1.136 11.711 ( -1.131 -3.140 0.488) 3.373 11.745 ( 0.897 -1.951 -0.122) 2.151 11.770 ( -0.792 -2.726 1.585) 3.252 11.950 ( -1.689 2.536 3.728) 4.815 12.034 ( 0.778 0.284 1.024) 1.317 12.080 ( 3.039 1.975 2.047) 4.163 12.154 ( -0.943 2.577 1.602) 3.177 12.206 ( 1.178 -0.602 0.464) 1.402 12.252 ( -1.965 2.333 -1.700) 3.492 12.275 ( -1.981 0.224 0.318) 2.019 12.314 ( -1.760 -1.299 1.263) 2.526 12.338 ( -1.551 -0.244 -2.002) 2.544 12.476 ( 1.362 -1.568 -0.299) 2.098 12.501 ( -2.203 -1.401 -1.353) 2.941 12.530 ( -0.487 -1.436 -2.609) 3.017 12.629 ( -2.412 1.111 1.024) 2.846 12.694 ( 1.591 -0.407 0.043) 1.643 12.728 ( 1.661 -1.101 1.636) 2.578 12.780 ( -0.594 1.454 1.129) 1.935 12.800 ( 4.666 3.505 -0.177) 5.839 12.815 ( 0.195 -0.118 0.090) 0.245 12.866 ( 2.501 -1.082 -0.347) 2.747 12.972 ( -2.294 -5.467 0.422) 5.943 13.021 ( 2.986 -5.724 -0.440) 6.471 13.039 ( -0.005 0.903 -0.711) 1.150 13.104 ( -2.308 -5.130 1.038) 5.721 13.153 ( -0.802 -2.342 -1.111) 2.713 13.211 ( -2.399 -2.352 -1.315) 3.608 13.270 ( 0.925 -2.488 4.001) 4.801 13.308 ( -1.808 -0.706 1.633) 2.537 13.379 ( 3.001 1.861 3.674) 5.096 13.564 ( 0.631 -0.618 2.505) 2.657 13.666 ( -1.020 0.236 -1.113) 1.528 13.688 ( -0.749 0.205 -4.626) 4.690 13.751 ( 0.223 3.579 0.289) 3.598 13.822 ( 0.535 0.786 -1.691) 1.940 13.885 ( -0.830 0.600 -1.690) 1.976 13.917 ( 0.653 2.255 -1.271) 2.670 13.929 ( -0.953 2.098 -1.825) 2.940 14.050 ( -2.611 5.576 0.274) 6.163 14.067 ( -2.440 6.327 0.947) 6.847 14.122 ( 2.078 0.144 -0.520) 2.147 14.156 ( 1.473 2.151 0.365) 2.633 14.194 ( 1.180 6.085 -0.764) 6.245 14.277 ( -2.437 2.687 1.178) 3.815 14.332 ( 1.830 3.845 -0.530) 4.291 14.428 ( 0.994 3.929 5.735) 7.023 14.489 ( -0.180 -2.834 -1.296) 3.121 14.521 ( 3.469 -3.013 3.751) 5.931 14.673 ( -0.090 1.293 0.112) 1.301 14.748 ( -2.824 4.515 -0.275) 5.333 14.846 ( 1.556 2.459 -4.770) 5.587 15.010 ( -2.121 -2.182 2.249) 3.784 15.077 ( -0.324 -1.393 3.775) 4.037 15.112 ( -0.002 -4.408 3.832) 5.841 15.224 ( -0.137 -3.434 -4.267) 5.479 15.366 ( 1.976 -4.671 -1.920) 5.423 15.427 ( -2.535 -0.519 -0.481) 2.632 15.550 ( 1.115 -9.625 0.623) 9.709 15.774 ( -0.598 -1.681 -0.353) 1.819 15.967 ( 1.910 -0.341 -1.320) 2.347 16.070 ( 0.194 6.199 4.615) 7.731 16.299 ( 0.557 -0.603 0.627) 1.033 16.368 ( 1.103 2.826 -2.719) 4.074 16.512 ( 0.114 1.813 -1.405) 2.297 16.672 ( 2.153 3.569 -1.892) 4.577 16.762 ( -2.024 -2.759 -1.928) 3.928 16.871 ( -2.963 -0.560 -2.447) 3.883 16.938 ( 0.685 -0.411 -1.233) 1.469 17.067 ( 6.514 -3.824 0.476) 7.569 17.155 ( -0.979 -4.577 -0.472) 4.705 17.171 ( 3.151 -4.652 2.851) 6.301 17.278 ( 3.373 -0.244 -2.173) 4.020 17.323 ( -4.652 -3.284 -2.766) 6.331 17.465 ( 1.456 -4.138 5.680) 7.177 17.633 ( -1.960 1.189 3.242) 3.971 17.727 ( -4.539 -0.907 0.838) 4.703 17.831 ( -0.521 -1.986 -1.970) 2.845 17.847 ( -3.447 2.311 2.968) 5.102 18.049 ( 2.263 5.762 2.025) 6.513 18.093 ( -0.581 6.690 3.128) 7.408 18.195 ( 2.637 6.492 -2.263) 7.363 18.302 ( -1.968 2.241 -2.811) 4.098 18.360 ( -3.253 -1.704 -6.305) 7.297 18.432 ( -1.201 -0.913 1.066) 1.848 18.515 ( 3.037 5.601 3.588) 7.312 18.554 ( 2.439 5.083 0.401) 5.652 18.715 ( 0.200 -1.763 -3.484) 3.910 18.738 ( 2.098 0.459 -4.392) 4.889 18.850 ( 2.532 1.005 -0.058) 2.725 19.025 ( 3.683 3.636 1.570) 5.408 19.171 ( -4.873 0.425 -1.009) 4.994 19.416 ( -3.484 -3.674 -0.842) 5.133 19.641 ( -1.195 5.217 12.807) 13.880 20.108 ( 4.158 -5.822 1.632) 7.338 20.481 ( -1.229 4.043 -6.371) 7.644 20.769 ( 0.675 -2.339 -6.521) 6.961 21.301 ( 0.695 4.027 4.359) 5.975 21.558 ( -0.551 -1.477 -2.097) 2.623 22.526 ( -1.447 -0.614 2.749) 3.167 22.637 ( 3.567 -3.472 3.738) 6.225 ======================= Grid point 34 (19/39) ======================= q-point: (-0.20 0.20 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -16.221 23.811 10.823) 30.777 1.244 ( -18.170 22.713 16.938) 33.659 1.776 ( -8.780 16.001 7.695) 19.807 1.855 ( -4.313 2.645 1.233) 5.208 1.999 ( 0.587 -0.237 -2.971) 3.038 2.077 ( -2.585 2.174 -3.205) 4.656 2.238 ( -25.141 13.553 7.883) 29.629 2.404 ( 1.708 -4.644 -1.085) 5.065 2.547 ( -6.895 -2.068 10.532) 12.757 2.595 ( 1.192 -1.036 -0.837) 1.788 2.658 ( 4.697 2.019 1.128) 5.236 2.751 ( -0.989 6.689 0.687) 6.797 2.771 ( -2.862 4.142 3.500) 6.132 2.917 ( 2.272 -2.936 -5.470) 6.611 3.047 ( -0.214 3.664 -8.023) 8.823 3.220 ( 0.141 -4.872 -1.259) 5.033 3.267 ( 7.519 -0.008 0.290) 7.525 3.324 ( 5.533 1.727 -3.031) 6.541 3.349 ( -1.503 -3.548 -2.740) 4.728 3.450 ( 1.079 -0.853 -0.286) 1.405 3.535 ( 3.327 -9.181 1.313) 9.853 3.568 ( 11.633 2.003 -1.368) 11.883 3.737 ( 7.521 -2.213 -1.296) 7.946 3.793 ( 7.982 0.535 -0.086) 8.000 3.862 ( 0.427 -0.362 2.650) 2.709 3.954 ( -1.301 0.901 -2.036) 2.579 3.999 ( -1.427 -0.157 -3.310) 3.608 4.055 ( -2.012 2.692 -0.615) 3.417 4.094 ( -2.185 3.531 0.333) 4.165 4.154 ( -2.194 -3.162 5.395) 6.627 4.175 ( -3.896 1.601 -4.098) 5.877 4.271 ( 4.700 -0.889 -1.277) 4.951 4.329 ( -5.867 -2.054 1.081) 6.310 4.366 ( -0.159 -0.824 7.702) 7.747 4.421 ( 2.418 2.075 -1.722) 3.622 4.514 ( -1.451 -2.366 4.652) 5.417 4.575 ( -1.977 3.744 6.394) 7.669 4.732 ( 0.109 3.855 0.608) 3.905 4.831 ( 0.162 -9.993 -0.779) 10.025 5.031 ( -4.077 -5.602 0.627) 6.957 5.080 ( 1.944 -8.347 1.125) 8.643 5.154 ( -2.376 -1.193 1.132) 2.889 5.319 ( 8.008 4.569 4.706) 10.352 5.348 ( 3.337 -3.083 3.503) 5.737 5.450 ( 0.424 4.425 -3.381) 5.585 5.590 ( 2.087 -0.063 -2.122) 2.977 5.641 ( 1.311 -2.455 -3.147) 4.201 5.781 ( 2.315 8.153 2.638) 8.877 5.830 ( 5.586 -1.717 1.234) 5.972 5.890 ( -0.784 0.457 -1.393) 1.662 5.921 ( -2.270 0.491 -0.586) 2.395 6.057 ( 1.876 0.698 1.521) 2.514 6.093 ( -2.926 0.916 4.556) 5.492 6.157 ( -0.469 0.492 4.232) 4.286 6.192 ( 0.387 2.094 2.373) 3.188 6.276 ( 2.166 0.429 -0.544) 2.274 6.305 ( -0.766 2.681 2.496) 3.742 6.383 ( -6.406 1.693 -2.743) 7.171 6.427 ( 1.139 3.217 0.688) 3.482 6.476 ( 3.035 0.830 -0.156) 3.150 6.557 ( 1.667 1.164 1.386) 2.461 6.609 ( -1.009 -1.000 -0.314) 1.455 6.637 ( 0.526 0.142 0.166) 0.569 6.685 ( 2.727 4.632 -0.330) 5.385 6.701 ( 2.467 0.381 -0.405) 2.529 6.717 ( 6.414 -1.009 0.497) 6.512 6.834 ( -2.425 2.741 -3.711) 5.212 6.843 ( -0.675 -0.687 1.019) 1.402 6.854 ( -0.460 3.852 4.601) 6.018 6.914 ( 5.143 1.817 -1.161) 5.576 6.996 ( -3.854 3.429 1.245) 5.306 7.072 ( -0.784 -2.844 0.656) 3.022 7.100 ( 1.130 2.084 4.556) 5.136 7.105 ( 0.524 -0.554 0.827) 1.125 7.148 ( -1.133 -0.697 -0.184) 1.343 7.251 ( -1.961 -4.602 1.141) 5.131 7.295 ( -3.907 -2.372 -0.759) 4.633 7.322 ( 0.807 2.904 0.252) 3.025 7.373 ( -1.425 -0.859 0.682) 1.798 7.460 ( 1.204 2.371 -2.633) 3.742 7.501 ( 3.010 -0.813 -0.838) 3.228 7.557 ( -1.326 -2.102 -1.291) 2.800 7.563 ( -2.751 -2.596 -1.326) 4.008 7.609 ( 0.316 0.226 1.108) 1.174 7.705 ( -3.314 -0.629 0.339) 3.390 7.738 ( -2.269 -3.756 -0.837) 4.467 7.776 ( 1.389 -2.951 0.020) 3.262 7.892 ( 1.800 -1.150 -0.307) 2.158 7.935 ( 1.486 -1.661 -2.227) 3.151 7.952 ( -0.980 1.277 -0.852) 1.821 7.968 ( 1.913 -1.371 -0.089) 2.355 8.054 ( 0.477 -3.458 0.376) 3.510 8.092 ( -2.160 -0.269 -2.635) 3.418 8.098 ( 1.913 0.127 -0.593) 2.007 8.132 ( 1.032 0.049 -5.752) 5.844 8.200 ( 1.858 -0.985 -7.359) 7.653 8.251 ( 2.269 -1.384 -6.298) 6.836 8.291 ( 0.704 -1.823 2.024) 2.814 8.375 ( -3.588 -0.003 -4.392) 5.671 8.385 ( 2.346 1.642 0.821) 2.979 8.464 ( -1.506 -1.251 -0.545) 2.032 8.513 ( 4.604 2.377 -6.939) 8.660 8.581 ( 0.717 -2.397 -1.796) 3.080 8.585 ( 3.010 1.869 6.486) 7.391 8.617 ( 3.724 -2.062 -2.117) 4.754 8.697 ( -4.612 1.235 7.877) 9.211 8.786 ( 1.476 -3.694 -3.516) 5.309 8.795 ( 1.314 -1.683 -1.600) 2.668 8.835 ( -2.381 -0.144 -1.540) 2.839 8.945 ( -1.693 1.176 1.008) 2.295 8.985 ( -5.241 -2.340 0.931) 5.815 9.022 ( -1.672 1.169 -2.471) 3.204 9.096 ( 2.218 -1.282 -1.707) 3.078 9.163 ( -1.492 0.162 4.285) 4.540 9.180 ( -0.221 0.888 -0.785) 1.206 9.202 ( -0.514 -0.508 -0.282) 0.776 9.248 ( -0.938 -0.940 0.418) 1.392 9.360 ( -3.530 -2.442 2.075) 4.768 9.387 ( 0.262 -1.359 -0.611) 1.513 9.434 ( 2.306 0.694 1.067) 2.634 9.490 ( -5.430 2.130 1.320) 5.980 9.649 ( -1.207 -2.514 -3.274) 4.300 9.684 ( -1.398 -5.710 0.203) 5.882 9.756 ( -1.668 -5.414 4.953) 7.525 9.781 ( 1.796 -3.053 -1.028) 3.688 9.891 ( -4.406 1.084 1.126) 4.675 9.955 ( 4.662 0.308 -1.359) 4.866 10.101 ( 1.515 -0.520 0.965) 1.870 10.167 ( 0.747 0.806 1.086) 1.545 10.245 ( 0.727 0.086 0.221) 0.765 10.633 ( 1.456 2.859 3.673) 4.877 10.666 ( -0.555 2.171 -1.404) 2.644 10.693 ( -3.230 5.882 -1.424) 6.860 10.954 ( 1.659 -0.878 0.421) 1.924 11.204 ( 2.616 -0.935 3.528) 4.491 11.248 ( 2.397 -1.976 5.857) 6.630 11.355 ( -1.159 1.032 0.353) 1.591 11.419 ( 1.697 0.618 1.138) 2.135 11.650 ( -2.680 0.000 1.630) 3.137 11.694 ( -0.875 -3.398 0.998) 3.648 11.751 ( -0.243 -1.724 -0.389) 1.784 11.785 ( 1.837 -2.228 -0.007) 2.887 11.937 ( -1.012 2.676 2.944) 4.105 12.047 ( -0.787 0.143 3.634) 3.721 12.127 ( -2.504 2.077 -1.285) 3.499 12.167 ( 3.533 0.612 -0.676) 3.649 12.211 ( 1.503 -1.985 3.364) 4.185 12.242 ( 0.835 -0.284 1.685) 1.902 12.257 ( -0.413 0.782 0.378) 0.962 12.282 ( -1.614 -1.009 0.726) 2.037 12.326 ( 0.648 0.184 1.124) 1.310 12.461 ( -2.302 -4.598 1.329) 5.311 12.463 ( -1.225 1.543 -1.171) 2.292 12.540 ( 2.006 -1.704 -1.936) 3.267 12.589 ( -1.991 1.617 0.200) 2.573 12.676 ( -2.496 -1.768 -2.656) 4.051 12.739 ( -1.535 -0.198 2.388) 2.845 12.776 ( -0.625 0.024 1.696) 1.807 12.805 ( -0.609 -2.105 1.356) 2.577 12.888 ( 2.209 -3.557 -2.845) 5.062 12.932 ( 1.923 -2.148 -1.685) 3.340 12.942 ( 3.053 -0.257 1.265) 3.314 13.014 ( -4.345 -3.386 -0.843) 5.573 13.051 ( 1.170 -0.665 0.585) 1.468 13.090 ( 0.650 -1.234 2.094) 2.515 13.132 ( -0.766 -1.078 -4.278) 4.478 13.188 ( 1.521 -1.679 0.146) 2.270 13.254 ( -3.335 0.188 0.129) 3.342 13.308 ( 0.264 0.731 5.930) 5.980 13.459 ( 2.341 -0.083 3.225) 3.986 13.607 ( 1.724 1.497 3.861) 4.486 13.645 ( -0.373 -1.173 -4.955) 5.105 13.654 ( 0.902 2.136 -1.779) 2.922 13.762 ( -0.253 1.716 1.015) 2.010 13.809 ( -0.890 1.315 -1.380) 2.103 13.861 ( -0.721 -0.500 -1.496) 1.735 13.891 ( -1.432 0.616 0.579) 1.663 13.946 ( 2.086 1.950 -2.641) 3.889 14.024 ( -1.654 7.881 -0.492) 8.068 14.050 ( 2.528 3.501 2.676) 5.080 14.146 ( 0.107 -0.342 -0.499) 0.615 14.186 ( 1.301 5.207 0.402) 5.383 14.224 ( 0.858 1.308 0.364) 1.606 14.245 ( -0.553 3.738 1.383) 4.024 14.362 ( 0.263 2.013 -0.767) 2.170 14.437 ( -0.550 -1.208 1.089) 1.717 14.491 ( -0.361 1.175 4.207) 4.383 14.589 ( 0.759 -2.686 1.733) 3.285 14.627 ( -3.487 4.954 -0.821) 6.113 14.719 ( -0.008 -0.656 -1.252) 1.414 14.863 ( 2.324 5.709 -2.118) 6.518 14.973 ( -2.080 -3.816 0.937) 4.446 15.063 ( -2.781 -1.529 4.784) 5.741 15.109 ( -2.540 -4.416 2.593) 5.716 15.201 ( -0.804 -4.917 -2.728) 5.680 15.397 ( 0.626 -3.328 -2.888) 4.451 15.419 ( 3.449 -4.971 -2.086) 6.400 15.567 ( 0.276 -6.868 2.187) 7.213 15.762 ( -0.805 -0.327 1.514) 1.746 15.988 ( 1.544 -2.067 -3.963) 4.729 16.078 ( -1.346 8.781 3.721) 9.631 16.338 ( 3.729 1.019 -3.321) 5.096 16.406 ( 4.101 1.291 -3.832) 5.759 16.502 ( -1.013 0.142 -0.555) 1.164 16.684 ( 0.392 3.258 -3.011) 4.453 16.725 ( -1.027 -1.512 0.069) 1.829 16.854 ( 2.443 0.284 -2.585) 3.568 16.936 ( -0.908 -0.645 -2.009) 2.297 17.147 ( 0.817 0.997 0.216) 1.307 17.177 ( -1.204 -2.980 -1.555) 3.571 17.231 ( 6.046 -4.103 3.522) 8.111 17.301 ( 8.356 -1.454 2.140) 8.748 17.391 ( 7.879 -3.912 0.719) 8.826 17.524 ( -6.088 -4.614 2.419) 8.013 17.577 ( -0.495 -3.476 0.640) 3.569 17.690 ( 2.732 3.107 7.363) 8.446 17.742 ( -3.441 -2.964 -3.213) 5.563 17.806 ( -3.986 -1.700 2.306) 4.908 18.004 ( -8.511 5.812 2.772) 10.672 18.165 ( 3.040 6.864 -4.228) 8.616 18.196 ( -1.064 6.691 -4.180) 7.961 18.240 ( -1.116 2.635 0.450) 2.896 18.312 ( -0.022 0.253 -0.712) 0.756 18.401 ( -0.866 -0.151 0.341) 0.943 18.552 ( -0.326 2.407 2.786) 3.696 18.644 ( 2.573 4.546 -5.658) 7.700 18.661 ( -0.662 3.920 -3.737) 5.457 18.774 ( 2.575 -2.868 -0.790) 3.935 18.952 ( 7.538 0.840 2.043) 7.855 19.032 ( -7.980 2.473 -4.156) 9.332 19.096 ( 2.740 1.168 4.279) 5.214 19.321 ( -6.039 -2.467 -1.489) 6.692 19.808 ( 13.058 5.728 15.447) 21.022 20.178 ( -0.557 -5.728 2.433) 6.249 20.469 ( 6.008 7.362 -9.607) 13.513 20.729 ( -1.668 -0.698 -5.306) 5.606 21.352 ( 2.128 2.682 3.314) 4.765 21.542 ( -0.154 -1.413 -1.387) 1.986 22.520 ( -0.475 -0.027 2.860) 2.899 22.727 ( 2.589 -7.746 5.958) 10.109 ======================= Grid point 35 (20/39) ======================= q-point: ( 0.00 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( -1.117 16.946 5.104) 17.733 1.645 ( 0.988 26.472 4.018) 26.793 1.760 ( 1.064 -3.696 -1.161) 4.017 1.955 ( -2.430 0.378 -3.212) 4.046 1.997 ( -5.857 1.086 -5.945) 8.415 2.164 ( -4.559 -7.448 0.885) 8.777 2.196 ( 1.639 2.086 4.822) 5.504 2.353 ( -0.977 -3.908 0.792) 4.105 2.476 ( -0.158 1.109 1.853) 2.166 2.639 ( -3.567 -10.368 -3.823) 11.612 2.752 ( -2.935 5.981 -1.260) 6.781 2.781 ( -2.230 1.095 -1.524) 2.914 2.833 ( 4.452 12.301 6.879) 14.780 2.950 ( -1.810 13.530 9.200) 16.461 3.001 ( -1.989 -8.264 -6.320) 10.592 3.138 ( 2.142 7.387 -7.571) 10.793 3.243 ( 1.873 -5.395 3.077) 6.487 3.294 ( 4.593 -4.909 -8.903) 11.156 3.481 ( -5.082 5.251 4.404) 8.532 3.540 ( 7.482 5.168 -1.175) 9.169 3.633 ( 6.955 0.116 4.168) 8.109 3.664 ( -11.687 -6.269 4.708) 14.073 3.756 ( 0.676 4.088 -3.522) 5.438 3.826 ( -5.685 -1.414 -3.463) 6.805 3.873 ( 3.515 1.278 0.867) 3.839 3.918 ( 5.597 -1.783 -1.816) 6.149 3.941 ( 3.774 -1.729 -0.925) 4.254 3.970 ( -2.726 -4.571 -1.727) 5.595 4.088 ( -1.098 2.126 6.261) 6.703 4.155 ( -2.142 -2.338 4.006) 5.109 4.191 ( 3.198 4.329 1.724) 5.652 4.254 ( -1.269 6.078 2.513) 6.698 4.351 ( 3.944 -6.741 5.040) 9.295 4.403 ( -2.713 -3.188 -1.050) 4.316 4.448 ( 3.118 2.070 5.424) 6.590 4.542 ( -2.521 3.627 8.597) 9.665 4.617 ( 2.898 -9.319 4.103) 10.587 4.691 ( 1.516 -7.494 3.207) 8.291 4.793 ( 2.410 2.674 3.363) 4.926 4.849 ( 1.361 -2.914 2.128) 3.856 5.002 ( -0.850 3.959 0.249) 4.057 5.172 ( 4.458 -5.890 -3.740) 8.280 5.239 ( -1.093 5.809 0.526) 5.935 5.413 ( 1.179 -5.807 -1.190) 6.044 5.497 ( -2.725 0.895 -2.461) 3.779 5.513 ( -5.605 -0.373 -2.237) 6.046 5.667 ( -3.629 7.364 2.038) 8.458 5.831 ( -1.679 -1.547 0.689) 2.385 5.864 ( -1.206 -0.418 0.753) 1.482 5.881 ( -0.277 -5.138 5.889) 7.820 5.943 ( -0.085 0.416 4.185) 4.206 5.993 ( -1.580 -3.283 4.087) 5.476 6.090 ( 0.745 2.462 0.262) 2.585 6.145 ( -0.623 -1.849 0.019) 1.951 6.249 ( 1.124 2.417 -1.127) 2.894 6.300 ( 0.804 -1.364 -2.075) 2.610 6.358 ( -2.033 6.351 -2.035) 6.972 6.413 ( -2.824 6.171 -2.878) 7.372 6.487 ( -3.183 -0.176 -1.630) 3.580 6.498 ( -3.696 -0.201 -0.184) 3.706 6.528 ( 0.040 -3.146 -0.143) 3.149 6.568 ( -0.750 -1.455 -0.197) 1.649 6.646 ( 0.313 2.064 1.416) 2.522 6.747 ( 1.073 -5.459 1.261) 5.705 6.775 ( 3.137 1.236 0.174) 3.376 6.809 ( 0.331 -2.025 -0.745) 2.183 6.851 ( -0.609 4.298 -3.635) 5.662 6.880 ( 1.896 4.347 -4.199) 6.334 6.935 ( -1.045 1.099 -0.922) 1.775 6.967 ( -0.564 0.624 -2.311) 2.459 7.011 ( -3.262 0.999 0.009) 3.412 7.028 ( 4.138 0.339 -0.702) 4.211 7.072 ( 3.498 3.212 -1.961) 5.138 7.127 ( -1.469 -1.113 -1.731) 2.528 7.144 ( 2.322 -1.277 -2.803) 3.857 7.206 ( 1.086 -4.258 2.080) 4.862 7.252 ( -3.700 3.828 2.144) 5.739 7.270 ( 2.425 0.388 3.761) 4.491 7.371 ( -2.205 -1.318 -1.084) 2.789 7.440 ( 0.079 -5.340 -0.698) 5.386 7.484 ( -0.795 -1.601 -0.134) 1.793 7.496 ( -0.323 -2.136 -1.778) 2.798 7.594 ( -2.485 3.693 -1.022) 4.567 7.641 ( 3.589 3.107 -0.370) 4.761 7.676 ( -0.771 -0.211 2.272) 2.409 7.702 ( -2.392 -1.624 -1.870) 3.443 7.752 ( 4.753 -1.274 -1.335) 5.099 7.769 ( -1.731 -4.204 -0.410) 4.565 7.909 ( 1.402 0.754 -1.362) 2.094 7.940 ( 2.099 -1.995 -1.969) 3.502 7.987 ( -0.694 -0.109 -2.359) 2.462 8.035 ( 1.845 -0.990 0.621) 2.184 8.059 ( 1.155 0.676 -2.093) 2.485 8.106 ( 0.402 -0.464 -3.147) 3.206 8.164 ( 2.283 1.969 -6.040) 6.751 8.193 ( 2.608 -0.814 -1.242) 3.001 8.211 ( 0.016 -1.068 -6.212) 6.303 8.243 ( -0.639 -3.047 -0.356) 3.134 8.428 ( -0.231 1.698 3.952) 4.308 8.436 ( 0.734 0.952 -0.102) 1.207 8.453 ( 0.765 0.784 0.414) 1.171 8.506 ( 0.301 -1.342 -0.577) 1.492 8.573 ( -1.463 0.400 -1.642) 2.235 8.612 ( 1.766 3.781 -1.490) 4.431 8.636 ( -2.738 -3.225 6.536) 7.786 8.698 ( 2.760 -3.044 1.335) 4.320 8.769 ( -1.810 1.941 -5.117) 5.764 8.793 ( -0.410 0.688 -4.997) 5.061 8.865 ( -4.738 -1.684 0.795) 5.091 8.889 ( 2.102 -2.465 -1.205) 3.456 8.946 ( 1.724 4.239 1.621) 4.855 8.966 ( -0.322 2.009 -1.866) 2.761 9.090 ( 2.589 -2.780 -2.583) 4.594 9.096 ( 2.446 -1.625 2.210) 3.675 9.190 ( -2.358 0.726 -1.559) 2.919 9.205 ( -2.256 -0.586 0.447) 2.374 9.235 ( 1.634 1.686 0.388) 2.379 9.302 ( 0.964 -2.688 2.627) 3.880 9.347 ( -8.062 -0.300 6.739) 10.512 9.382 ( -5.932 -4.323 4.876) 8.812 9.467 ( 1.426 3.894 -0.588) 4.188 9.559 ( 0.005 -4.563 0.198) 4.567 9.635 ( 3.827 0.254 -3.624) 5.277 9.643 ( 4.358 -0.431 -3.631) 5.689 9.794 ( 0.312 1.942 1.215) 2.312 9.863 ( 0.677 -3.611 1.551) 3.987 10.053 ( 1.748 1.491 3.102) 3.860 10.097 ( 1.099 -2.533 3.157) 4.194 10.204 ( -0.106 1.888 -0.083) 1.893 10.238 ( -0.280 -1.008 -1.300) 1.669 10.696 ( -1.061 3.497 1.143) 3.829 10.731 ( -0.355 0.764 3.499) 3.599 10.786 ( -0.047 4.789 -1.456) 5.006 10.887 ( -1.997 -3.876 -0.789) 4.431 11.213 ( -1.342 -0.107 3.959) 4.181 11.229 ( -0.887 -1.907 5.866) 6.231 11.416 ( 0.712 2.513 -0.034) 2.613 11.450 ( -0.307 -0.226 -1.004) 1.074 11.631 ( -0.126 0.196 2.490) 2.501 11.642 ( 0.299 -1.148 1.565) 1.964 11.722 ( -0.320 -0.109 -0.954) 1.012 11.747 ( -0.195 -2.250 -0.724) 2.372 11.997 ( 0.052 1.750 0.967) 2.001 12.041 ( -1.069 -1.845 2.388) 3.202 12.109 ( -1.708 2.608 -0.257) 3.128 12.173 ( 1.737 1.067 0.273) 2.056 12.195 ( -1.497 -0.431 -0.649) 1.687 12.244 ( 0.795 -1.706 0.314) 1.908 12.268 ( -1.337 0.364 1.892) 2.345 12.290 ( 0.133 -0.919 2.450) 2.620 12.364 ( 1.417 -0.512 4.114) 4.381 12.386 ( 2.693 -0.888 3.322) 4.368 12.493 ( 1.128 0.880 -2.737) 3.089 12.517 ( -0.506 -1.808 -1.387) 2.334 12.571 ( -0.206 1.849 -0.445) 1.913 12.637 ( 0.696 0.164 -1.594) 1.746 12.656 ( -0.873 -3.054 -0.703) 3.254 12.683 ( 0.138 -4.022 -0.651) 4.077 12.785 ( -0.915 1.647 0.103) 1.887 12.837 ( -0.979 -2.303 -0.442) 2.541 12.904 ( -1.076 3.688 -0.773) 3.919 12.970 ( 0.701 -0.875 -2.547) 2.783 13.023 ( 2.400 0.457 0.303) 2.462 13.065 ( -1.429 -1.549 -1.995) 2.902 13.121 ( 0.722 1.766 -0.216) 1.920 13.156 ( -1.842 1.707 -1.802) 3.091 13.177 ( 2.410 -1.903 2.312) 3.843 13.200 ( 0.262 -1.080 -0.063) 1.113 13.354 ( -1.654 2.555 4.847) 5.723 13.422 ( -0.931 -3.372 4.655) 5.823 13.612 ( -2.376 3.448 -2.674) 4.969 13.667 ( 2.495 -0.661 -3.910) 4.685 13.720 ( -0.324 -2.068 -1.585) 2.626 13.727 ( -1.142 -3.711 0.254) 3.891 13.793 ( 0.774 2.683 1.338) 3.097 13.850 ( -1.322 -2.286 0.293) 2.656 13.933 ( 0.005 3.229 4.523) 5.557 13.983 ( 3.396 -0.282 2.860) 4.448 14.082 ( -0.994 4.150 0.594) 4.308 14.150 ( -0.503 -0.062 1.644) 1.721 14.224 ( 0.463 4.875 -0.927) 4.984 14.273 ( 0.982 2.125 -0.815) 2.479 14.305 ( 0.455 1.315 -2.046) 2.474 14.339 ( -3.275 -0.078 -0.118) 3.278 14.388 ( 2.071 5.725 0.324) 6.097 14.439 ( -1.705 1.232 1.556) 2.616 14.469 ( -1.575 -1.235 -0.448) 2.051 14.530 ( 0.575 -3.401 -0.959) 3.580 14.712 ( -0.412 6.393 2.757) 6.974 14.740 ( -2.682 7.686 0.676) 8.168 14.853 ( -0.731 -5.132 1.823) 5.495 14.947 ( -0.989 -5.824 -1.379) 6.067 14.993 ( -0.734 1.198 1.361) 1.957 15.035 ( 1.610 -1.802 0.829) 2.555 15.185 ( -0.182 0.837 -2.071) 2.241 15.258 ( 1.571 0.248 -2.732) 3.161 15.281 ( -2.393 -6.880 -1.919) 7.533 15.422 ( 3.167 -9.325 1.153) 9.915 15.820 ( -0.004 4.241 3.028) 5.211 15.916 ( 0.921 -4.222 -1.849) 4.700 16.220 ( -2.218 6.808 -0.726) 7.197 16.344 ( -0.928 -4.550 -1.886) 5.012 16.468 ( 3.275 3.131 -4.985) 6.736 16.518 ( 2.501 -0.833 -4.963) 5.619 16.657 ( -3.884 1.666 0.138) 4.229 16.698 ( -0.828 -1.312 -1.759) 2.345 16.837 ( -2.908 -1.051 -3.931) 5.001 16.854 ( 1.078 -2.360 -3.391) 4.270 17.158 ( 1.180 2.766 3.002) 4.249 17.206 ( -4.063 -1.396 4.249) 6.042 17.256 ( 3.604 -2.452 6.626) 7.932 17.313 ( 5.179 -4.906 7.474) 10.332 17.388 ( 0.218 0.094 1.429) 1.448 17.466 ( 5.099 -4.788 2.568) 7.452 17.587 ( 1.007 0.903 -3.750) 3.986 17.620 ( -0.450 -2.306 -4.469) 5.049 17.793 ( -0.690 2.337 1.208) 2.719 17.818 ( -1.871 0.496 -0.769) 2.083 17.967 ( -3.449 4.506 0.829) 5.734 18.058 ( -2.701 -3.422 -1.691) 4.676 18.293 ( -0.645 2.286 0.835) 2.518 18.325 ( 1.916 0.230 0.405) 1.972 18.366 ( 1.963 3.337 -0.395) 3.892 18.410 ( 1.959 -0.729 -0.539) 2.158 18.638 ( -0.906 2.022 0.068) 2.217 18.654 ( -2.678 2.377 0.271) 3.591 18.754 ( -0.623 2.671 -2.906) 3.996 18.780 ( 0.790 -0.213 -1.436) 1.652 19.012 ( -1.005 5.582 -2.653) 6.262 19.094 ( 3.181 -0.922 3.426) 4.765 19.113 ( -4.589 0.571 -1.852) 4.981 19.184 ( 2.885 -4.047 0.121) 4.971 20.038 ( -5.400 -0.611 6.516) 8.485 20.050 ( -0.087 -1.887 5.057) 5.398 20.687 ( 4.659 0.996 -7.442) 8.836 20.700 ( 3.930 -0.031 -8.871) 9.703 21.441 ( -0.351 3.172 1.064) 3.365 21.504 ( 0.832 -2.339 -0.811) 2.611 22.543 ( -0.674 0.706 3.751) 3.876 22.578 ( -3.633 -2.875 4.984) 6.805 ======================= Grid point 36 (21/39) ======================= q-point: ( 0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 8.791 14.391 7.590) 18.494 1.726 ( 6.234 12.433 4.370) 14.579 1.846 ( 6.306 4.978 -0.712) 8.066 1.900 ( 0.750 0.301 -4.412) 4.485 1.954 ( 2.443 -2.931 -1.760) 4.202 2.097 ( -1.191 -9.851 0.692) 9.947 2.263 ( 1.069 7.133 5.232) 8.910 2.324 ( -1.192 1.180 -1.201) 2.063 2.493 ( -3.425 -0.686 0.135) 3.495 2.595 ( 1.003 -7.521 -2.917) 8.129 2.656 ( -3.110 1.134 -0.038) 3.311 2.689 ( -5.338 -2.139 -2.896) 6.439 2.869 ( -0.473 -0.296 -0.004) 0.559 2.925 ( -0.741 -3.455 1.462) 3.824 3.075 ( 3.917 9.530 3.126) 10.767 3.134 ( -0.421 7.168 -1.844) 7.414 3.237 ( -2.791 -1.298 -0.655) 3.147 3.325 ( 2.071 -2.142 -6.214) 6.891 3.389 ( -7.404 -0.869 2.471) 7.854 3.444 ( -7.023 -3.404 1.730) 7.994 3.541 ( -5.419 2.282 0.488) 5.900 3.604 ( -7.051 -3.144 -3.770) 8.592 3.763 ( 0.610 5.111 -6.517) 8.304 3.804 ( 1.933 3.594 -0.684) 4.138 3.897 ( 3.671 1.366 1.731) 4.283 3.976 ( 6.148 -1.572 0.392) 6.358 4.011 ( -1.127 3.197 4.509) 5.641 4.058 ( 3.989 -0.573 1.506) 4.302 4.113 ( -1.161 3.006 1.676) 3.632 4.188 ( 3.968 1.317 4.489) 6.134 4.225 ( 0.379 -2.481 3.767) 4.526 4.275 ( -0.654 -0.960 4.046) 4.210 4.347 ( -0.888 1.078 0.935) 1.681 4.414 ( 2.582 -4.608 2.388) 5.797 4.517 ( -4.769 2.476 5.379) 7.603 4.605 ( 1.092 -1.731 2.871) 3.526 4.622 ( 1.629 -0.535 6.034) 6.273 4.675 ( -2.185 -6.600 2.361) 7.342 4.876 ( 2.595 1.390 5.304) 6.066 4.924 ( 4.754 -2.955 1.725) 5.858 5.038 ( 4.505 8.955 -0.068) 10.024 5.243 ( -2.382 -1.838 2.252) 3.758 5.267 ( 5.567 1.390 -1.434) 5.914 5.367 ( -5.244 -1.832 -0.811) 5.613 5.394 ( -4.729 -0.825 -1.595) 5.059 5.438 ( -0.808 -1.929 0.960) 2.301 5.547 ( -8.404 5.616 -0.462) 10.118 5.700 ( -7.459 -4.496 2.475) 9.054 5.847 ( -0.845 2.457 0.005) 2.598 5.924 ( -0.325 -1.351 -0.697) 1.554 5.963 ( 1.294 -3.153 1.953) 3.928 5.996 ( -0.666 -1.732 0.231) 1.870 6.140 ( 0.737 0.578 2.396) 2.572 6.159 ( 3.381 -0.750 2.211) 4.109 6.240 ( -1.309 4.677 -4.212) 6.429 6.278 ( 2.233 4.157 2.158) 5.189 6.334 ( -1.643 -0.296 -0.063) 1.671 6.373 ( -0.093 -0.230 0.167) 0.299 6.408 ( -0.920 0.699 -1.698) 2.054 6.470 ( 0.165 1.229 -1.890) 2.261 6.502 ( -1.515 -0.461 -0.544) 1.674 6.586 ( 2.051 -4.456 0.293) 4.914 6.648 ( -0.536 4.525 -0.935) 4.651 6.742 ( -2.419 -3.935 -0.007) 4.619 6.785 ( -1.208 5.780 -2.795) 6.533 6.804 ( -1.242 3.149 -3.567) 4.917 6.860 ( 2.065 2.389 -2.434) 3.988 6.905 ( -0.306 -1.786 -0.976) 2.059 6.921 ( 1.086 -0.278 0.237) 1.146 6.962 ( 1.977 3.545 -0.028) 4.059 6.977 ( -0.288 -3.968 1.039) 4.112 7.039 ( -0.227 -2.327 -2.666) 3.546 7.082 ( -3.935 4.028 2.100) 6.010 7.132 ( -1.547 2.867 -0.119) 3.260 7.177 ( 2.396 -2.719 -1.846) 4.067 7.199 ( 4.896 3.566 -0.777) 6.106 7.252 ( -1.822 -4.856 3.903) 6.491 7.301 ( 0.529 -3.594 -1.018) 3.773 7.357 ( -0.722 -1.494 0.883) 1.880 7.372 ( -2.625 -1.429 -1.401) 3.301 7.479 ( 0.234 -1.282 0.914) 1.592 7.520 ( 1.917 -3.201 -1.736) 4.115 7.564 ( -0.484 1.699 -0.945) 2.003 7.633 ( -3.511 0.463 -0.167) 3.545 7.668 ( -0.982 -1.102 2.457) 2.866 7.699 ( 1.523 0.236 0.834) 1.752 7.750 ( 0.009 -1.207 -0.634) 1.363 7.823 ( 1.190 -5.357 -0.190) 5.491 7.904 ( -0.541 1.310 -1.636) 2.164 7.951 ( 0.651 -2.084 -1.095) 2.442 8.004 ( 2.582 2.642 -4.264) 5.642 8.046 ( 0.628 4.082 0.349) 4.145 8.069 ( -0.089 1.148 -2.883) 3.104 8.123 ( 3.357 -2.558 -3.480) 5.471 8.165 ( -1.144 -4.650 -6.484) 8.061 8.172 ( -0.582 -3.946 -1.894) 4.415 8.236 ( 1.394 0.353 1.222) 1.887 8.249 ( 2.839 -1.006 0.517) 3.056 8.425 ( -0.304 3.728 -4.931) 6.189 8.441 ( 0.712 1.703 1.888) 2.640 8.475 ( -2.124 1.056 -0.237) 2.384 8.511 ( 2.058 -0.587 -0.242) 2.154 8.526 ( -0.592 -0.650 -6.954) 7.010 8.594 ( -2.187 -2.451 -2.171) 3.938 8.617 ( -1.700 5.081 3.731) 6.529 8.693 ( -2.507 -0.518 5.652) 6.204 8.709 ( -1.801 -0.423 -2.299) 2.951 8.756 ( -0.779 -4.679 -3.275) 5.764 8.848 ( 2.241 -0.123 -0.999) 2.456 8.894 ( 0.890 -3.274 -2.550) 4.244 8.959 ( 0.460 3.834 -0.050) 3.861 9.029 ( 1.769 -1.603 -0.887) 2.547 9.068 ( -4.650 3.559 -1.891) 6.153 9.123 ( -5.475 -1.259 -2.303) 6.072 9.159 ( 1.794 0.626 0.709) 2.028 9.176 ( 2.043 0.121 3.906) 4.410 9.272 ( -1.506 -0.859 6.226) 6.463 9.287 ( -1.529 -3.219 5.606) 6.643 9.302 ( 4.230 1.266 2.051) 4.868 9.381 ( 2.885 -4.890 0.815) 5.736 9.539 ( 4.966 3.174 -0.807) 5.948 9.616 ( 4.936 -3.625 -0.930) 6.194 9.679 ( 2.273 2.168 -1.697) 3.570 9.712 ( 4.136 -0.634 -3.234) 5.288 9.800 ( -0.652 1.558 0.696) 1.826 9.868 ( -1.132 -3.744 0.079) 3.912 10.077 ( -0.556 1.212 3.915) 4.136 10.110 ( -1.334 -1.807 3.353) 4.035 10.192 ( -1.467 1.107 -0.141) 1.843 10.213 ( -1.602 -0.757 -1.923) 2.615 10.652 ( -3.515 4.954 2.135) 6.439 10.727 ( -2.000 -1.216 3.654) 4.340 10.810 ( 2.664 2.868 -0.999) 4.039 10.864 ( 0.479 -1.620 -1.233) 2.092 11.187 ( -2.788 1.147 3.068) 4.301 11.224 ( -2.492 -2.420 5.455) 6.467 11.406 ( -1.919 1.614 -0.557) 2.569 11.420 ( -1.464 0.325 0.200) 1.513 11.652 ( 0.576 -0.387 1.518) 1.669 11.662 ( 0.845 -1.134 1.454) 2.028 11.705 ( -0.821 -0.103 -0.445) 0.939 11.733 ( -0.891 -2.199 -0.048) 2.373 11.999 ( 0.298 1.183 0.027) 1.220 12.034 ( -1.050 -0.235 2.633) 2.844 12.101 ( 0.660 1.827 0.191) 1.952 12.161 ( -1.535 1.722 -1.471) 2.736 12.200 ( 0.699 0.222 0.222) 0.767 12.268 ( 0.856 0.873 1.531) 1.959 12.280 ( 1.751 -3.620 1.487) 4.288 12.310 ( -0.374 -1.759 4.271) 4.634 12.389 ( -0.027 2.195 1.580) 2.705 12.450 ( 0.966 -3.019 -0.316) 3.186 12.492 ( 1.499 0.665 -0.465) 1.705 12.527 ( 1.830 -0.410 -0.020) 1.875 12.578 ( 0.934 1.274 -0.416) 1.633 12.655 ( 2.726 -1.573 -2.033) 3.747 12.673 ( 2.766 0.003 -1.902) 3.357 12.703 ( 2.179 -2.813 -0.765) 3.640 12.774 ( -0.340 1.541 0.613) 1.693 12.816 ( -1.297 -0.293 -1.744) 2.193 12.874 ( -1.367 1.527 0.554) 2.123 12.929 ( -3.481 -1.906 -3.053) 5.008 13.034 ( -0.985 1.408 -0.463) 1.780 13.064 ( 1.157 -0.774 1.399) 1.973 13.097 ( -2.230 -0.756 -1.229) 2.656 13.108 ( -1.735 -0.994 -1.318) 2.395 13.197 ( -0.422 0.159 0.273) 0.527 13.229 ( 0.739 -2.232 1.147) 2.616 13.329 ( -2.704 2.186 4.118) 5.390 13.377 ( -5.159 -1.467 3.484) 6.396 13.555 ( -2.109 2.890 1.781) 3.997 13.640 ( -3.045 -3.940 -0.266) 4.987 13.734 ( 2.930 -0.240 -2.326) 3.749 13.748 ( 2.359 -1.749 -1.705) 3.396 13.826 ( 2.169 -0.199 -1.072) 2.428 13.831 ( 0.046 -0.355 0.104) 0.373 14.007 ( 3.347 3.888 4.416) 6.769 14.046 ( -0.855 0.903 -0.722) 1.438 14.079 ( 3.752 2.188 -0.192) 4.348 14.120 ( -3.567 0.600 2.991) 4.693 14.226 ( 0.367 4.298 -0.545) 4.348 14.272 ( -1.983 0.731 0.082) 2.115 14.287 ( -0.360 2.779 -1.469) 3.164 14.310 ( 0.379 1.536 -0.896) 1.819 14.383 ( -2.144 -0.350 -0.335) 2.199 14.428 ( 0.649 -1.557 -0.361) 1.725 14.463 ( 1.609 6.411 0.783) 6.656 14.582 ( 3.507 -2.124 -0.057) 4.101 14.677 ( -2.676 11.695 1.711) 12.119 14.757 ( 1.794 2.003 2.358) 3.576 14.854 ( -0.017 -4.340 2.157) 4.847 14.949 ( 0.687 -4.087 -0.174) 4.148 14.978 ( 0.272 1.854 -1.037) 2.142 15.069 ( 1.203 -2.172 0.807) 2.610 15.154 ( -1.399 -7.652 -0.879) 7.828 15.213 ( -3.227 -7.978 -1.736) 8.779 15.309 ( 3.381 4.868 -1.672) 6.158 15.462 ( 0.820 -7.510 -0.679) 7.585 15.842 ( 0.606 4.556 2.975) 5.475 15.926 ( 0.613 -2.772 -0.369) 2.863 16.163 ( -2.665 6.424 -0.790) 7.000 16.289 ( -3.383 -5.189 -0.573) 6.221 16.496 ( 1.522 3.840 -4.552) 6.147 16.542 ( 2.462 -0.016 -4.613) 5.229 16.627 ( 1.039 1.095 -0.285) 1.537 16.697 ( 1.333 -5.520 -1.720) 5.933 16.800 ( 0.829 2.683 -1.252) 3.074 16.866 ( 1.656 -2.860 -0.953) 3.440 17.102 ( -6.317 -1.942 3.289) 7.382 17.122 ( -6.567 -3.525 1.834) 7.676 17.306 ( -4.631 2.868 -1.186) 5.575 17.342 ( -3.327 -0.126 -1.611) 3.699 17.442 ( -1.272 0.451 5.054) 5.231 17.461 ( -6.226 -1.309 3.098) 7.076 17.582 ( 4.065 -0.246 -1.573) 4.366 17.616 ( 2.217 -2.654 -2.981) 4.566 17.724 ( 0.629 3.040 2.475) 3.970 17.816 ( 3.994 -5.250 7.100) 9.692 18.042 ( 7.370 6.153 -2.155) 9.840 18.153 ( 8.545 -3.764 -4.003) 10.159 18.265 ( -3.219 3.890 1.662) 5.316 18.326 ( -0.174 -1.287 -1.170) 1.748 18.432 ( 0.209 1.332 -1.494) 2.012 18.455 ( 2.832 -0.341 2.010) 3.489 18.552 ( -3.261 4.168 -1.573) 5.521 18.593 ( -4.549 0.664 1.492) 4.834 18.765 ( 2.747 3.514 -1.785) 4.804 18.790 ( 0.985 0.834 -3.494) 3.724 18.956 ( -4.647 3.192 -0.007) 5.638 19.010 ( -2.641 1.156 -1.454) 3.229 19.169 ( 3.091 1.649 1.507) 3.814 19.275 ( 4.638 -5.913 -0.160) 7.517 19.912 ( -9.831 3.532 7.626) 12.933 20.008 ( -6.112 -5.614 4.401) 9.394 20.685 ( -0.316 1.821 -6.933) 7.175 20.718 ( 1.586 -1.085 -7.505) 7.747 21.427 ( -1.543 4.150 1.557) 4.693 21.512 ( 0.213 -3.319 -0.331) 3.343 22.533 ( -2.455 -0.093 3.544) 4.312 22.542 ( -1.310 -0.754 3.409) 3.729 ======================= Grid point 37 (22/39) ======================= q-point: ( 0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( 3.814 2.949 -1.085) 4.942 1.854 ( 3.280 -0.547 0.051) 3.326 1.926 ( 3.717 6.698 1.020) 7.727 1.987 ( 3.696 3.239 0.362) 4.928 2.029 ( 3.493 0.489 4.190) 5.477 2.121 ( 1.568 -3.528 5.221) 6.494 2.209 ( -4.086 9.849 5.661) 12.072 2.308 ( -9.581 5.526 0.452) 11.070 2.409 ( 5.534 3.888 2.670) 7.271 2.597 ( -0.468 -4.020 -2.688) 4.858 2.642 ( 2.241 -5.059 3.208) 6.396 2.695 ( 2.552 -6.257 0.793) 6.804 2.887 ( 2.741 -0.359 2.658) 3.835 2.987 ( 4.818 -6.399 3.143) 8.605 3.043 ( -0.478 4.392 -2.502) 5.077 3.117 ( -1.034 -0.520 -2.757) 2.990 3.175 ( -3.280 -1.193 -0.560) 3.534 3.272 ( -2.085 -1.775 0.787) 2.849 3.317 ( -2.654 -1.266 -4.063) 5.016 3.405 ( 0.464 -3.955 -4.508) 6.015 3.481 ( -1.291 2.409 -2.136) 3.469 3.519 ( 0.024 -1.183 -5.259) 5.391 3.730 ( 1.595 2.598 -6.234) 6.939 3.789 ( -2.276 -1.698 -5.253) 5.971 3.977 ( 0.934 6.863 4.439) 8.226 3.990 ( -2.331 5.709 -1.379) 6.319 4.027 ( -2.496 6.239 -1.032) 6.798 4.083 ( 2.643 -0.988 2.301) 3.641 4.131 ( -2.835 -4.325 1.021) 5.271 4.164 ( -1.683 -0.153 8.131) 8.305 4.251 ( 0.371 0.645 0.277) 0.794 4.304 ( 0.025 -2.768 -0.585) 2.829 4.385 ( -9.022 2.951 5.497) 10.969 4.394 ( -4.352 -0.599 1.504) 4.644 4.441 ( 1.285 -2.548 0.695) 2.938 4.497 ( -3.840 -3.687 6.323) 8.266 4.680 ( 0.978 3.969 2.341) 4.711 4.760 ( 3.408 -3.389 3.020) 5.676 4.945 ( 0.303 4.941 3.440) 6.028 4.955 ( -7.328 7.460 11.103) 15.252 5.058 ( -3.293 1.899 0.305) 3.813 5.121 ( 0.136 0.984 1.769) 2.029 5.266 ( -4.857 7.490 1.071) 8.991 5.325 ( -2.696 -2.117 -1.884) 3.912 5.417 ( 2.646 -3.271 1.296) 4.402 5.451 ( 3.583 -0.283 3.534) 5.041 5.511 ( 6.987 -1.544 -1.488) 7.308 5.650 ( 0.657 -7.041 -0.243) 7.076 5.851 ( 1.542 2.202 -0.402) 2.719 5.904 ( -0.667 0.233 -0.315) 0.774 5.961 ( -0.698 -1.785 -0.260) 1.934 5.979 ( -1.811 0.056 1.392) 2.285 6.151 ( 0.569 2.448 1.516) 2.935 6.196 ( 0.215 0.867 -1.555) 1.793 6.252 ( 1.553 2.501 -0.308) 2.960 6.334 ( 1.230 1.440 1.111) 2.196 6.359 ( 2.640 2.122 5.522) 6.478 6.397 ( 0.575 -3.248 -1.643) 3.685 6.406 ( 0.876 -0.621 4.163) 4.300 6.465 ( 0.833 -3.460 0.825) 3.654 6.521 ( 2.606 6.921 -1.915) 7.639 6.606 ( 0.574 3.731 -3.509) 5.154 6.644 ( 1.493 -2.481 -4.784) 5.592 6.667 ( -2.736 -0.722 -2.037) 3.486 6.696 ( -5.355 3.291 -1.629) 6.494 6.783 ( -0.548 3.434 -0.048) 3.478 6.822 ( -4.246 -0.238 -2.147) 4.764 6.915 ( 1.657 3.899 -1.160) 4.392 6.935 ( -2.871 -1.794 -0.935) 3.512 6.952 ( 1.760 2.201 0.384) 2.844 7.002 ( -0.878 2.954 3.240) 4.471 7.028 ( 2.446 0.401 2.463) 3.494 7.093 ( 3.054 -5.337 0.041) 6.149 7.147 ( 0.522 -0.484 0.021) 0.712 7.175 ( -1.415 -6.797 1.626) 7.131 7.220 ( -0.217 -1.681 -2.341) 2.890 7.255 ( 2.101 -1.986 -1.421) 3.221 7.309 ( 0.606 -1.524 -0.781) 1.817 7.370 ( 2.545 1.686 2.608) 4.015 7.399 ( 1.992 -1.095 0.527) 2.333 7.470 ( -1.241 0.769 -0.239) 1.479 7.511 ( -1.535 3.137 -0.329) 3.508 7.550 ( -0.291 -4.943 -3.663) 6.159 7.566 ( -3.508 -0.666 2.204) 4.196 7.663 ( -1.542 -0.622 2.930) 3.369 7.707 ( -1.182 -3.354 0.692) 3.623 7.749 ( -0.442 1.741 1.000) 2.056 7.828 ( 1.515 -3.311 0.826) 3.733 7.912 ( 1.950 0.835 -1.063) 2.373 7.953 ( 0.644 -2.019 -0.982) 2.335 8.008 ( 1.126 2.841 -3.528) 4.667 8.029 ( -2.723 1.665 0.385) 3.215 8.093 ( 3.064 0.857 -5.068) 5.984 8.109 ( -2.581 -2.786 -3.783) 5.360 8.137 ( -1.514 -2.614 -4.207) 5.179 8.184 ( 3.943 -4.515 -3.276) 6.831 8.252 ( 0.119 0.370 -1.850) 1.890 8.276 ( -0.265 -1.679 -0.110) 1.703 8.377 ( -0.706 3.179 -8.944) 9.519 8.420 ( 1.208 1.121 -3.327) 3.713 8.461 ( -0.843 -0.159 -4.639) 4.718 8.481 ( -1.343 -1.561 -1.961) 2.843 8.548 ( 0.774 1.274 -4.600) 4.835 8.553 ( -1.361 1.175 0.780) 1.960 8.606 ( 0.231 -0.336 1.466) 1.522 8.641 ( -3.248 0.654 2.695) 4.271 8.746 ( 0.652 -3.296 4.761) 5.827 8.756 ( 2.225 -3.031 0.203) 3.766 8.885 ( 0.792 0.587 -1.494) 1.790 8.906 ( 1.232 -0.643 -0.320) 1.426 8.954 ( 0.440 0.741 0.555) 1.025 8.988 ( 0.085 -0.797 -0.701) 1.065 9.053 ( 1.262 1.625 1.452) 2.518 9.111 ( 3.553 -2.454 0.988) 4.429 9.138 ( -2.193 1.902 3.113) 4.257 9.221 ( -2.127 -3.788 3.403) 5.518 9.277 ( 1.730 2.970 3.858) 5.167 9.328 ( 1.973 -0.823 -0.614) 2.224 9.392 ( 2.473 -0.491 3.299) 4.152 9.425 ( 0.325 -2.174 0.632) 2.287 9.602 ( 1.732 2.062 -1.031) 2.883 9.672 ( -0.111 -3.001 1.127) 3.208 9.703 ( 0.731 2.014 -2.019) 2.944 9.738 ( 0.213 -0.374 -4.318) 4.339 9.774 ( -1.305 0.648 -2.907) 3.252 9.829 ( -1.512 -3.472 -2.299) 4.430 10.084 ( -1.176 0.566 3.977) 4.186 10.090 ( -2.828 -0.046 3.751) 4.698 10.155 ( -1.040 0.544 -0.858) 1.454 10.178 ( -0.342 -1.340 -0.355) 1.428 10.615 ( -1.485 4.669 3.184) 5.843 10.699 ( -1.979 -2.918 2.347) 4.236 10.866 ( 3.129 2.191 0.067) 3.820 10.877 ( 0.640 1.286 0.034) 1.437 11.157 ( -1.508 1.736 2.602) 3.473 11.199 ( -2.344 -2.168 4.143) 5.231 11.370 ( -0.847 1.997 -0.180) 2.177 11.401 ( -1.091 -0.733 0.704) 1.491 11.658 ( -0.268 -0.608 0.371) 0.761 11.673 ( -0.217 -1.592 0.219) 1.622 11.696 ( -0.157 -0.522 0.635) 0.836 11.721 ( -0.526 -2.182 0.964) 2.443 12.009 ( 0.190 1.637 0.857) 1.857 12.034 ( 0.065 0.568 1.701) 1.795 12.117 ( -0.220 1.892 1.097) 2.198 12.143 ( 1.472 0.669 -0.892) 1.847 12.208 ( 0.052 1.414 -0.142) 1.422 12.280 ( -0.412 -2.391 0.623) 2.505 12.297 ( -0.796 -0.981 4.390) 4.568 12.318 ( -0.931 -0.844 1.462) 1.928 12.396 ( -3.455 -0.170 -3.251) 4.747 12.402 ( 1.198 0.231 -0.895) 1.513 12.538 ( 0.678 1.160 -0.284) 1.374 12.576 ( 2.734 -0.752 0.620) 2.903 12.594 ( 0.815 1.794 -0.221) 1.983 12.680 ( 0.436 -1.654 -3.083) 3.526 12.723 ( 2.643 -1.405 -1.351) 3.285 12.746 ( 1.136 0.753 -1.192) 1.811 12.783 ( 0.878 1.406 2.081) 2.660 12.787 ( 1.859 -0.691 -2.448) 3.150 12.849 ( -2.250 -0.560 -1.575) 2.803 12.885 ( 1.443 -2.406 0.973) 2.969 12.983 ( -3.447 1.996 -1.034) 4.115 13.043 ( -3.011 -3.176 -0.242) 4.383 13.085 ( 0.646 0.608 0.188) 0.907 13.111 ( 1.911 -2.697 1.379) 3.582 13.170 ( -2.126 0.516 -1.199) 2.495 13.222 ( -1.422 -2.858 -0.170) 3.197 13.296 ( -2.202 1.633 4.527) 5.293 13.339 ( -0.955 -1.367 4.064) 4.392 13.549 ( -0.344 1.191 3.413) 3.631 13.608 ( -0.624 -3.861 2.042) 4.412 13.746 ( 0.036 1.367 -3.664) 3.911 13.774 ( 1.068 -1.217 -2.876) 3.300 13.849 ( 1.648 1.149 -0.060) 2.010 13.873 ( 2.930 -0.803 0.183) 3.043 13.989 ( -2.807 2.840 -1.161) 4.159 14.029 ( -4.019 -0.844 0.597) 4.149 14.101 ( 2.002 3.245 -0.381) 3.832 14.139 ( 1.306 0.529 -0.394) 1.463 14.216 ( -1.731 4.662 0.636) 5.014 14.270 ( 1.818 6.380 -1.043) 6.716 14.287 ( 0.535 -1.043 1.208) 1.683 14.306 ( 0.322 1.044 -0.189) 1.109 14.368 ( 0.089 -0.016 -0.310) 0.323 14.431 ( 0.152 -3.492 -0.145) 3.499 14.500 ( 1.368 8.057 1.123) 8.250 14.628 ( 0.044 -0.282 -1.009) 1.049 14.653 ( 0.248 11.740 3.425) 12.232 14.808 ( 2.139 0.757 2.656) 3.493 14.862 ( -0.963 -0.511 1.958) 2.241 14.940 ( 0.101 -1.105 1.441) 1.818 15.031 ( 3.357 -2.365 0.573) 4.146 15.077 ( -0.522 -6.161 0.462) 6.201 15.128 ( -1.166 -5.521 -1.691) 5.890 15.155 ( -1.936 -7.373 0.774) 7.662 15.357 ( 2.877 1.455 -3.079) 4.458 15.449 ( -1.245 -5.218 -2.761) 6.033 15.848 ( -1.165 5.127 0.528) 5.284 15.932 ( -0.009 -2.106 0.035) 2.106 16.143 ( 0.228 4.624 2.527) 5.274 16.243 ( -1.468 -4.563 2.241) 5.291 16.484 ( -0.416 5.103 -3.281) 6.081 16.559 ( 1.342 -0.425 -5.187) 5.375 16.666 ( 3.182 0.582 -1.783) 3.694 16.715 ( 1.268 -2.899 -0.877) 3.283 16.855 ( 4.029 0.697 0.430) 4.111 16.909 ( 2.834 -1.368 -0.666) 3.217 16.983 ( -7.122 -1.825 1.607) 7.526 17.019 ( -4.125 -4.605 2.454) 6.651 17.182 ( -3.773 2.696 -2.679) 5.355 17.234 ( -4.662 -1.944 -0.406) 5.067 17.352 ( -3.313 -0.221 -0.628) 3.379 17.402 ( -2.934 -4.322 -2.299) 5.707 17.661 ( 2.314 1.549 1.340) 3.090 17.691 ( 4.157 -1.484 -0.374) 4.430 17.843 ( 5.091 3.390 4.378) 7.522 17.901 ( 0.025 -1.658 3.794) 4.141 18.147 ( 3.544 5.882 -0.865) 6.921 18.207 ( -1.055 3.602 -1.241) 3.954 18.244 ( 0.387 0.029 -1.988) 2.026 18.307 ( -0.036 -2.696 -0.966) 2.864 18.366 ( -1.561 1.835 0.885) 2.566 18.430 ( -4.334 -3.480 2.816) 6.231 18.571 ( 1.940 3.128 1.243) 3.885 18.606 ( 4.410 -0.372 -1.938) 4.832 18.757 ( -1.699 5.419 -5.241) 7.727 18.800 ( 1.134 1.433 -4.031) 4.426 18.894 ( -1.653 4.631 2.028) 5.319 18.997 ( 0.765 -1.727 1.861) 2.652 19.216 ( 1.329 2.535 -0.042) 2.862 19.328 ( 1.216 -6.288 -0.880) 6.465 19.791 ( -6.489 5.744 8.925) 12.440 19.928 ( -3.469 -6.836 5.219) 9.274 20.628 ( -1.412 3.756 -7.108) 8.162 20.706 ( 1.109 -3.297 -7.555) 8.317 21.408 ( -1.259 5.274 2.248) 5.870 21.511 ( -0.214 -3.901 0.056) 3.907 22.522 ( -0.710 -0.064 2.618) 2.714 22.539 ( -0.253 -1.442 2.359) 2.776 ======================= Grid point 38 (23/39) ======================= q-point: (-0.40 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.777 ( -5.829 11.784 -1.617) 13.246 1.858 ( -10.407 9.195 2.743) 14.156 1.918 ( 1.320 -0.670 -0.848) 1.706 1.960 ( -2.842 -0.991 -3.415) 4.552 2.071 ( -5.409 7.147 1.313) 9.059 2.089 ( 3.192 6.846 6.188) 9.765 2.221 ( 2.781 -4.561 4.348) 6.887 2.385 ( 4.717 -4.961 11.085) 13.028 2.528 ( 5.487 2.261 6.237) 8.610 2.594 ( -1.243 -5.503 4.414) 7.163 2.684 ( 2.579 -0.551 -2.613) 3.712 2.726 ( 1.419 -1.907 -1.249) 2.686 3.002 ( 1.762 4.496 8.642) 9.900 3.013 ( 0.996 2.104 -5.533) 6.002 3.099 ( -0.556 1.163 -0.975) 1.616 3.124 ( 3.814 -5.927 -0.647) 7.078 3.180 ( 3.281 -3.405 3.626) 5.959 3.246 ( -0.791 -6.581 -3.792) 7.636 3.280 ( -2.415 4.151 1.653) 5.080 3.376 ( -1.611 -1.454 -3.546) 4.157 3.451 ( 0.411 0.834 -5.498) 5.576 3.458 ( 3.370 0.309 -10.474) 11.008 3.713 ( 0.238 4.777 -4.548) 6.600 3.775 ( 4.995 -1.776 -5.345) 7.528 3.922 ( -4.188 8.373 -1.827) 9.539 3.978 ( 2.018 2.054 -6.225) 6.859 4.029 ( 0.105 2.645 3.444) 4.344 4.067 ( -0.785 -1.650 -4.678) 5.023 4.114 ( -3.285 -3.451 3.015) 5.639 4.152 ( -2.739 -5.748 0.839) 6.422 4.199 ( -4.392 4.430 7.210) 9.534 4.245 ( -2.397 0.325 4.428) 5.046 4.305 ( 0.262 -0.919 2.860) 3.015 4.332 ( -2.852 -2.830 1.031) 4.148 4.470 ( -0.119 0.936 4.181) 4.287 4.501 ( -0.640 -0.493 2.512) 2.639 4.669 ( -6.541 4.755 2.469) 8.455 4.781 ( -4.034 -4.071 3.698) 6.820 4.827 ( -0.812 1.151 3.810) 4.062 4.909 ( -5.711 -4.899 6.207) 9.754 5.098 ( -8.117 1.863 0.589) 8.349 5.132 ( -2.529 -0.884 2.548) 3.697 5.184 ( 8.808 9.028 1.712) 12.729 5.328 ( 3.501 1.323 1.801) 4.154 5.490 ( 3.896 -1.502 2.484) 4.859 5.566 ( 2.868 3.138 -2.573) 4.969 5.580 ( 0.392 -4.043 4.044) 5.732 5.656 ( 0.058 -4.881 0.618) 4.920 5.895 ( 1.790 1.631 0.721) 2.527 5.918 ( 0.349 0.162 -1.572) 1.618 5.981 ( 3.740 1.219 3.003) 4.949 5.987 ( 2.892 0.616 3.120) 4.298 6.144 ( -2.427 1.617 -2.205) 3.656 6.166 ( -1.686 -0.486 -1.863) 2.559 6.282 ( 1.455 4.052 3.734) 5.699 6.333 ( -4.230 5.504 1.970) 7.216 6.374 ( -0.809 2.919 0.893) 3.158 6.404 ( -1.671 -2.835 0.931) 3.420 6.441 ( 1.204 -4.141 2.080) 4.788 6.487 ( 1.354 -4.823 0.252) 5.016 6.522 ( -0.431 6.257 0.113) 6.273 6.590 ( -0.221 1.977 -2.411) 3.126 6.619 ( 2.774 0.820 -3.693) 4.691 6.641 ( 0.562 -1.707 -3.164) 3.639 6.721 ( 3.450 0.255 -3.061) 4.619 6.746 ( 2.150 -0.041 -0.637) 2.243 6.824 ( 2.920 5.970 -0.476) 6.663 6.896 ( 0.084 -0.377 -1.295) 1.351 6.931 ( 0.279 4.201 -0.212) 4.215 6.978 ( 0.941 4.864 0.697) 5.003 7.044 ( 1.461 1.732 2.831) 3.626 7.071 ( 0.273 0.582 4.020) 4.071 7.103 ( -5.119 -4.236 0.286) 6.651 7.130 ( 0.294 -2.360 -0.521) 2.435 7.171 ( -0.316 -4.053 1.262) 4.257 7.217 ( -3.167 5.437 -1.887) 6.569 7.225 ( -0.692 -5.564 -0.027) 5.607 7.339 ( 2.244 -3.345 0.687) 4.086 7.396 ( -1.004 1.194 0.235) 1.577 7.411 ( -0.143 -0.646 -0.029) 0.663 7.469 ( 1.630 0.154 -2.424) 2.925 7.504 ( -0.907 -2.571 -1.295) 3.018 7.519 ( 0.910 0.980 -2.821) 3.122 7.568 ( 4.128 -2.359 -0.741) 4.812 7.664 ( -1.121 -2.116 1.724) 2.950 7.696 ( 4.126 -3.883 1.944) 5.990 7.773 ( 0.399 3.214 2.494) 4.087 7.846 ( -1.683 -2.576 2.342) 3.867 7.915 ( -3.756 1.444 -0.267) 4.033 7.962 ( 0.741 0.626 -1.574) 1.849 7.976 ( -4.856 -2.602 -1.985) 5.855 7.997 ( 1.336 -0.015 -1.697) 2.160 8.069 ( 0.056 0.176 -5.715) 5.718 8.086 ( 4.210 -1.214 -3.411) 5.553 8.127 ( 0.957 1.880 -2.554) 3.312 8.205 ( -0.319 -3.630 -5.687) 6.754 8.214 ( -0.635 -0.021 -7.708) 7.734 8.272 ( 2.154 -3.508 -5.336) 6.739 8.364 ( -0.097 2.091 -0.546) 2.163 8.424 ( -0.306 -2.858 -1.758) 3.370 8.459 ( 2.692 0.617 0.978) 2.930 8.481 ( 4.824 -0.377 -3.002) 5.694 8.519 ( -1.094 1.789 -3.148) 3.783 8.553 ( -0.435 -1.830 -1.213) 2.238 8.591 ( -0.074 -0.015 -0.973) 0.976 8.619 ( -2.100 0.832 6.126) 6.529 8.738 ( -0.094 -1.576 -4.604) 4.867 8.778 ( -0.707 -2.113 0.625) 2.315 8.915 ( 2.304 0.448 1.847) 2.987 8.934 ( 0.554 1.076 3.206) 3.426 8.979 ( 0.363 -0.316 -0.166) 0.509 9.002 ( 1.055 -2.575 0.503) 2.828 9.117 ( 1.941 -0.014 2.834) 3.436 9.130 ( -2.739 -0.963 4.843) 5.646 9.171 ( 2.513 2.484 1.581) 3.871 9.224 ( 1.265 -1.824 3.171) 3.871 9.322 ( 2.328 2.157 -0.405) 3.199 9.336 ( -2.597 0.337 -1.511) 3.023 9.376 ( -3.921 0.266 0.448) 3.955 9.398 ( -2.165 -1.858 4.219) 5.093 9.587 ( -1.647 0.288 -3.852) 4.199 9.636 ( -2.906 -4.123 -2.660) 5.702 9.658 ( -3.377 0.653 -1.580) 3.785 9.692 ( -2.394 -1.725 -3.928) 4.913 9.762 ( 1.345 1.852 0.501) 2.343 9.831 ( 2.392 -3.716 -1.137) 4.564 10.034 ( -4.234 1.312 2.669) 5.174 10.058 ( -2.276 -0.902 2.107) 3.229 10.174 ( 2.143 1.616 -0.122) 2.687 10.206 ( 2.108 -1.183 0.493) 2.467 10.631 ( 1.460 3.173 3.401) 4.875 10.686 ( -0.308 -1.816 1.169) 2.182 10.871 ( -1.533 3.849 0.522) 4.176 10.911 ( 1.251 0.109 0.989) 1.599 11.163 ( 0.619 1.081 2.829) 3.091 11.188 ( -0.757 -1.198 3.968) 4.213 11.381 ( 1.418 0.814 0.341) 1.670 11.390 ( 0.027 0.018 0.420) 0.421 11.650 ( -0.747 -0.830 0.382) 1.181 11.662 ( -0.735 -1.590 -0.440) 1.806 11.707 ( 0.995 -0.875 0.915) 1.610 11.719 ( -0.221 -1.672 0.866) 1.896 12.008 ( -0.863 2.438 1.494) 2.986 12.041 ( -0.233 -0.284 1.443) 1.489 12.136 ( 1.939 2.712 1.709) 3.746 12.179 ( 1.075 -1.441 0.554) 1.881 12.203 ( 0.113 2.495 -0.662) 2.584 12.272 ( -4.301 -0.112 1.783) 4.658 12.275 ( -0.229 -3.120 -1.566) 3.498 12.297 ( -1.044 -1.060 2.571) 2.970 12.333 ( -0.964 2.756 -0.341) 2.940 12.409 ( -0.884 -3.433 -1.706) 3.934 12.511 ( -2.292 2.701 -0.499) 3.578 12.558 ( -1.503 2.298 -3.396) 4.367 12.632 ( 0.496 -1.869 1.884) 2.700 12.666 ( -0.661 -2.859 -2.258) 3.702 12.715 ( -2.032 -0.005 -0.343) 2.061 12.738 ( -1.417 -1.444 -0.481) 2.080 12.792 ( 1.005 0.269 -0.143) 1.050 12.840 ( 2.741 -1.763 -0.651) 3.324 12.886 ( 4.564 2.026 1.110) 5.115 12.930 ( -0.718 2.100 -2.687) 3.485 12.944 ( 3.322 -2.690 0.377) 4.292 12.994 ( -1.474 -4.090 0.230) 4.354 13.100 ( 0.904 3.375 -1.099) 3.663 13.119 ( -0.790 0.030 -2.241) 2.376 13.165 ( 0.931 -1.342 -0.125) 1.638 13.203 ( 0.993 -3.415 1.484) 3.854 13.301 ( -0.542 1.017 5.086) 5.215 13.353 ( 0.242 -2.951 4.883) 5.711 13.572 ( 1.314 1.576 3.575) 4.122 13.627 ( 0.948 -3.128 2.380) 4.043 13.716 ( -1.192 1.969 -3.350) 4.064 13.760 ( -0.571 -1.833 -2.514) 3.163 13.880 ( 0.655 3.344 -0.027) 3.407 13.905 ( -0.422 0.888 -1.241) 1.583 13.936 ( -1.536 0.981 -1.214) 2.190 13.972 ( -1.575 -0.943 0.799) 2.002 14.109 ( -1.137 1.386 0.427) 1.843 14.132 ( -0.105 0.115 -1.519) 1.527 14.219 ( 1.101 4.710 0.151) 4.839 14.267 ( -1.256 8.231 0.169) 8.328 14.288 ( 0.342 -0.380 -1.016) 1.138 14.340 ( 1.508 3.661 -0.591) 4.004 14.379 ( 0.993 -2.531 1.088) 2.928 14.436 ( 0.065 -3.383 -0.371) 3.404 14.515 ( -0.687 6.843 2.169) 7.212 14.606 ( -1.253 3.729 0.092) 3.935 14.684 ( 0.581 5.509 2.910) 6.258 14.843 ( -1.180 4.075 2.145) 4.754 14.849 ( 0.004 -3.809 2.718) 4.679 14.958 ( 0.524 -2.502 1.138) 2.798 15.045 ( -2.642 -1.937 1.620) 3.655 15.068 ( -1.977 -1.571 1.685) 3.036 15.098 ( 1.480 -2.986 -2.603) 4.229 15.196 ( 4.631 -8.685 2.235) 10.093 15.376 ( -0.008 -2.378 -2.925) 3.770 15.395 ( -1.883 -4.034 -5.153) 6.810 15.821 ( -1.260 4.852 0.258) 5.019 15.922 ( -0.401 -3.705 -1.781) 4.130 16.184 ( 1.996 4.271 3.947) 6.149 16.262 ( 1.991 -2.868 2.884) 4.529 16.456 ( -0.435 5.037 -3.994) 6.443 16.541 ( -0.241 -1.141 -5.380) 5.505 16.708 ( 1.258 0.262 -0.812) 1.520 16.733 ( 0.658 0.339 0.770) 1.068 16.848 ( -2.837 -0.207 -0.603) 2.908 16.933 ( 1.020 -6.456 2.501) 6.998 16.961 ( 2.668 2.938 -0.338) 3.983 17.044 ( 4.447 -4.490 2.545) 6.813 17.157 ( 1.799 1.594 -3.589) 4.320 17.213 ( 1.576 -3.464 -3.968) 5.498 17.328 ( 2.188 2.064 -2.440) 3.873 17.387 ( 2.631 -3.192 1.103) 4.281 17.644 ( -5.916 0.443 1.721) 6.177 17.677 ( -5.281 -2.617 -0.066) 5.894 17.834 ( -5.506 1.606 1.672) 5.974 17.864 ( -4.175 -0.694 3.957) 5.794 18.176 ( 1.965 4.707 0.139) 5.103 18.225 ( 0.605 3.214 -0.642) 3.333 18.258 ( 3.961 1.280 -0.967) 4.274 18.302 ( -2.109 -1.011 -1.524) 2.791 18.379 ( 0.308 1.582 -0.350) 1.649 18.408 ( 0.236 -1.383 2.427) 2.804 18.596 ( -0.004 2.817 2.015) 3.464 18.652 ( 0.174 -2.318 1.139) 2.589 18.720 ( 2.497 5.729 -6.715) 9.173 18.780 ( 0.571 0.362 -5.205) 5.249 18.913 ( 1.666 5.547 3.070) 6.555 19.031 ( 0.594 -3.399 3.907) 5.213 19.209 ( -1.543 3.575 -2.368) 4.557 19.313 ( -2.013 -5.337 -1.485) 5.894 19.785 ( 1.599 7.568 9.403) 12.176 19.955 ( 3.081 -7.770 6.120) 10.360 20.585 ( 1.101 5.184 -8.415) 9.945 20.693 ( 1.520 -4.500 -7.791) 9.125 21.407 ( 0.023 5.174 2.240) 5.638 21.505 ( -0.411 -3.523 -0.017) 3.547 22.522 ( -0.431 0.604 2.492) 2.600 22.561 ( 1.086 -2.928 2.886) 4.252 ======================= Grid point 39 (24/39) ======================= q-point: (-0.20 0.40 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.630 ( -7.606 19.149 2.178) 20.719 1.690 ( -7.554 16.027 0.710) 17.732 1.830 ( -6.441 -1.591 -1.342) 6.769 1.967 ( 1.631 -3.549 -2.485) 4.629 2.068 ( 2.559 6.463 5.205) 8.684 2.147 ( -1.070 8.456 4.929) 9.846 2.252 ( -2.187 -8.042 1.733) 8.513 2.407 ( -5.239 -8.005 4.210) 10.452 2.528 ( -6.389 6.100 1.215) 8.917 2.680 ( 5.530 1.304 2.813) 6.340 2.740 ( 2.173 -0.410 3.304) 3.976 2.754 ( 2.086 -3.046 -1.124) 3.859 2.860 ( -11.658 6.074 1.791) 13.267 2.946 ( -1.622 6.440 -4.277) 7.899 3.105 ( -2.286 -1.570 0.893) 2.914 3.129 ( 0.023 -3.364 -2.014) 3.921 3.176 ( 0.420 0.145 -2.445) 2.485 3.288 ( 2.257 -4.953 -3.761) 6.616 3.353 ( 6.976 1.388 -5.821) 9.191 3.397 ( 11.992 -1.667 3.863) 12.709 3.551 ( 5.676 6.189 -2.078) 8.651 3.618 ( 13.715 0.917 -3.529) 14.192 3.723 ( 0.257 3.075 1.220) 3.318 3.819 ( 0.379 -2.988 -1.144) 3.222 3.848 ( -1.393 5.456 -2.347) 6.101 3.948 ( -1.828 0.244 -2.211) 2.879 4.003 ( -6.515 -2.584 0.413) 7.021 4.046 ( 1.571 -3.756 -2.735) 4.905 4.084 ( -0.263 -4.218 -0.485) 4.254 4.149 ( 0.918 -2.282 0.457) 2.501 4.169 ( -3.270 4.085 5.529) 7.613 4.250 ( -1.174 4.131 9.827) 10.724 4.298 ( -1.853 -2.724 3.744) 4.987 4.380 ( 3.524 -4.154 5.214) 7.541 4.470 ( -2.175 2.148 -1.103) 3.250 4.491 ( 2.698 3.878 -0.278) 4.732 4.607 ( -0.870 -0.836 3.939) 4.120 4.647 ( -7.584 -7.456 5.352) 11.906 4.800 ( -3.739 1.972 5.279) 6.763 4.885 ( -5.328 -7.096 7.101) 11.365 5.002 ( 0.506 3.846 -2.727) 4.742 5.120 ( 2.757 -3.455 -4.140) 6.056 5.287 ( -1.583 1.812 3.070) 3.900 5.397 ( 1.412 -3.298 0.219) 3.594 5.522 ( -0.738 2.720 -0.647) 2.892 5.568 ( 1.239 -0.659 -0.691) 1.564 5.620 ( 3.481 2.679 2.375) 4.994 5.737 ( 5.695 -5.865 5.957) 10.115 5.899 ( 0.116 2.743 1.100) 2.957 5.920 ( -0.546 0.426 0.981) 1.201 5.965 ( -7.740 4.093 0.469) 8.768 6.043 ( -2.656 -2.471 5.244) 6.376 6.104 ( -0.322 0.993 -3.307) 3.467 6.140 ( 0.625 -1.604 -0.980) 1.981 6.247 ( -2.275 0.984 0.067) 2.480 6.283 ( 0.066 0.019 -1.038) 1.041 6.371 ( 1.184 4.261 0.134) 4.425 6.435 ( 2.564 3.847 -0.411) 4.641 6.486 ( 1.208 -2.969 4.074) 5.184 6.501 ( 0.528 1.538 -0.019) 1.627 6.549 ( 0.875 -1.123 0.848) 1.657 6.584 ( -0.530 -0.692 0.606) 1.062 6.656 ( 1.312 0.229 -1.150) 1.760 6.679 ( 4.239 -1.500 -2.251) 5.029 6.747 ( -0.365 5.212 -0.748) 5.278 6.796 ( 3.015 3.462 -1.412) 4.803 6.885 ( -0.850 2.622 -3.040) 4.104 6.904 ( 3.309 3.898 -2.138) 5.542 6.923 ( 0.345 -1.192 -1.867) 2.242 6.960 ( -2.254 5.233 0.151) 5.700 7.006 ( -1.130 -3.250 -2.870) 4.481 7.051 ( -2.378 -0.643 0.598) 2.535 7.068 ( -0.305 0.104 -0.974) 1.026 7.120 ( -0.195 0.054 2.203) 2.213 7.158 ( -0.736 -1.477 -1.617) 2.311 7.191 ( 0.259 1.299 0.754) 1.525 7.225 ( 0.073 -4.579 1.242) 4.745 7.314 ( -4.125 -0.389 0.192) 4.148 7.390 ( 0.834 -1.251 0.579) 1.611 7.422 ( 0.961 -3.621 0.365) 3.764 7.493 ( 0.596 0.857 -1.446) 1.783 7.511 ( 1.315 -1.107 -2.066) 2.688 7.542 ( 3.179 3.088 -0.054) 4.432 7.634 ( 3.567 -4.552 -2.314) 6.229 7.685 ( -0.745 4.213 0.204) 4.283 7.740 ( -2.712 2.514 0.524) 3.735 7.748 ( -2.983 -0.548 0.753) 3.125 7.816 ( -1.376 -4.631 -0.492) 4.856 7.870 ( 0.487 -1.525 1.077) 1.930 7.907 ( 2.302 -4.253 -2.661) 5.520 7.982 ( 1.720 1.312 -0.810) 2.310 8.006 ( 0.364 -1.459 -1.262) 1.964 8.086 ( 0.067 1.176 -2.926) 3.154 8.105 ( -0.500 0.075 0.522) 0.726 8.151 ( 3.222 -1.090 -4.075) 5.308 8.157 ( 1.534 -0.475 -7.783) 7.947 8.209 ( 3.310 0.119 -7.786) 8.461 8.271 ( -0.851 -3.272 -4.321) 5.486 8.387 ( 1.467 1.675 4.577) 5.090 8.421 ( 0.372 -1.871 1.336) 2.329 8.456 ( -1.775 4.018 -0.493) 4.420 8.527 ( -0.444 -2.073 -0.695) 2.231 8.560 ( 4.639 1.112 -5.618) 7.370 8.569 ( 4.887 -0.778 -3.455) 6.035 8.606 ( -0.291 -0.965 6.183) 6.265 8.642 ( 2.262 -3.844 3.919) 5.937 8.742 ( 2.804 1.494 -2.453) 4.014 8.784 ( 2.532 -1.054 -1.224) 3.003 8.904 ( -3.569 3.536 -0.783) 5.084 8.942 ( -2.123 -0.114 2.986) 3.665 8.962 ( -2.236 -0.073 -0.082) 2.238 9.010 ( -0.925 -2.526 -0.970) 2.860 9.084 ( -1.886 0.980 -0.770) 2.261 9.121 ( -2.898 -2.407 -0.847) 3.861 9.213 ( -1.247 1.454 2.650) 3.269 9.217 ( -0.503 1.147 0.035) 1.253 9.243 ( -2.776 0.464 2.599) 3.830 9.291 ( -1.957 -3.622 -0.169) 4.120 9.384 ( -0.263 0.970 4.784) 4.889 9.421 ( -0.160 -1.925 5.130) 5.482 9.535 ( -3.590 1.873 -2.816) 4.932 9.577 ( 0.192 -2.881 -4.897) 5.685 9.598 ( -0.087 -0.906 -3.451) 3.569 9.641 ( -2.426 -3.869 -0.563) 4.601 9.790 ( -0.178 2.339 2.008) 3.088 9.855 ( -0.217 -3.032 0.574) 3.094 10.001 ( 0.919 2.532 2.026) 3.370 10.056 ( 1.220 -2.702 2.009) 3.581 10.200 ( 0.712 1.959 -0.216) 2.095 10.236 ( 0.981 -1.075 -0.413) 1.513 10.686 ( 1.826 1.517 2.503) 3.450 10.696 ( 1.101 0.486 1.126) 1.649 10.829 ( -2.891 5.647 -0.199) 6.347 10.918 ( -0.988 -2.611 0.765) 2.894 11.194 ( 0.648 0.073 4.388) 4.437 11.209 ( 0.386 -1.262 4.516) 4.705 11.393 ( 1.045 2.236 0.061) 2.469 11.429 ( 2.473 -0.493 -0.163) 2.527 11.637 ( -0.963 -0.612 1.314) 1.740 11.645 ( -1.062 -1.064 0.475) 1.577 11.723 ( 0.367 -0.565 -0.136) 0.687 11.736 ( 1.458 -1.785 0.152) 2.310 11.996 ( -0.843 2.580 1.216) 2.975 12.045 ( -0.385 -1.467 2.286) 2.744 12.159 ( -0.637 1.106 0.237) 1.298 12.164 ( -3.207 -0.027 -0.641) 3.271 12.209 ( 1.662 1.519 -0.498) 2.306 12.234 ( -0.302 1.090 5.037) 5.162 12.253 ( -0.470 -1.473 -3.696) 4.006 12.318 ( 0.945 -1.691 4.422) 4.828 12.338 ( -0.370 1.358 1.925) 2.385 12.346 ( -3.043 -1.155 -0.175) 3.260 12.488 ( 0.000 -0.044 -1.481) 1.481 12.526 ( -0.092 -0.742 -1.571) 1.740 12.609 ( -2.708 0.313 -1.769) 3.250 12.642 ( -0.605 1.432 0.406) 1.607 12.688 ( -1.350 -5.390 -1.079) 5.661 12.699 ( -1.602 -2.760 -0.737) 3.276 12.800 ( -0.562 1.807 0.325) 1.920 12.857 ( -0.762 -1.974 0.647) 2.213 12.926 ( -0.783 0.170 -2.668) 2.786 12.946 ( 2.331 -0.406 -2.313) 3.309 12.972 ( 3.284 2.885 1.258) 4.549 13.052 ( 4.105 -3.075 0.252) 5.135 13.101 ( 1.017 1.347 -1.565) 2.302 13.118 ( 1.178 1.120 -1.674) 2.333 13.175 ( 0.709 0.816 0.905) 1.410 13.225 ( -1.109 -2.619 -1.124) 3.058 13.328 ( 0.942 1.756 6.569) 6.864 13.391 ( 1.059 -3.687 4.659) 6.035 13.628 ( 2.872 0.649 0.044) 2.945 13.641 ( 0.297 -0.222 -2.580) 2.606 13.696 ( 0.898 1.383 0.677) 1.783 13.747 ( -0.524 -3.249 0.188) 3.296 13.832 ( -3.560 3.058 -0.876) 4.774 13.874 ( -1.972 -0.209 -1.568) 2.528 13.933 ( 0.882 1.941 2.006) 2.927 13.959 ( -2.070 -0.907 2.213) 3.163 14.092 ( -0.869 2.475 1.332) 2.942 14.136 ( 1.067 0.104 -0.712) 1.287 14.225 ( -0.064 5.026 -1.055) 5.136 14.261 ( 0.309 4.766 0.491) 4.801 14.294 ( 1.373 1.905 -1.590) 2.836 14.361 ( 0.833 3.667 -0.473) 3.790 14.389 ( -1.097 -1.803 0.784) 2.251 14.428 ( 0.504 -0.891 -0.410) 1.103 14.498 ( -2.077 2.261 1.894) 3.608 14.574 ( -2.527 -0.928 -0.381) 2.719 14.700 ( 0.012 5.549 2.132) 5.945 14.806 ( -3.997 6.636 2.814) 8.242 14.858 ( -0.588 -3.962 2.258) 4.598 14.970 ( -0.205 -4.717 0.703) 4.773 14.996 ( -1.347 -0.074 0.449) 1.422 15.033 ( -1.798 -3.165 0.088) 3.641 15.146 ( 3.507 3.436 -0.490) 4.935 15.290 ( 1.999 -5.605 1.894) 6.245 15.307 ( -2.335 -3.473 -4.362) 6.045 15.372 ( 0.891 -8.664 -3.346) 9.331 15.812 ( -0.425 4.211 1.917) 4.647 15.912 ( 0.541 -4.471 -2.461) 5.132 16.231 ( 0.879 5.389 1.984) 5.810 16.324 ( 2.948 -3.206 0.612) 4.398 16.443 ( 1.560 3.696 -4.809) 6.263 16.513 ( 0.372 -1.382 -4.918) 5.122 16.704 ( -0.654 1.230 -1.032) 1.734 16.735 ( -1.785 0.892 1.529) 2.514 16.835 ( 1.325 0.432 -1.538) 2.076 16.928 ( -2.263 -3.032 -5.925) 7.030 17.068 ( 8.127 -2.460 7.306) 11.201 17.116 ( 0.870 -4.216 1.263) 4.486 17.210 ( 4.630 0.944 -1.313) 4.904 17.229 ( 2.456 -1.604 2.850) 4.089 17.383 ( 2.591 1.523 -0.679) 3.081 17.435 ( -3.857 -3.391 1.292) 5.296 17.548 ( 1.879 0.890 -3.248) 3.856 17.618 ( 2.649 -5.199 -3.892) 7.014 17.772 ( -1.800 2.705 6.283) 7.074 17.804 ( -4.195 -0.249 5.623) 7.020 18.128 ( -8.674 5.094 -0.080) 10.060 18.215 ( -5.803 -2.572 -2.927) 6.990 18.264 ( 2.956 3.024 -1.439) 4.467 18.303 ( 0.791 -0.962 -1.038) 1.621 18.354 ( -1.186 4.556 -0.795) 4.775 18.404 ( -0.473 -0.306 0.816) 0.992 18.613 ( 1.036 2.865 1.967) 3.626 18.672 ( 0.981 -2.068 1.363) 2.664 18.759 ( 3.342 3.133 -5.214) 6.940 18.775 ( 0.356 1.835 -2.915) 3.462 18.986 ( 5.002 2.443 2.578) 6.135 19.038 ( -1.712 -1.587 3.688) 4.365 19.154 ( -1.909 3.838 -2.966) 5.213 19.246 ( -4.316 -4.214 -2.009) 6.358 19.925 ( 7.205 5.331 8.859) 12.602 20.049 ( 2.075 -6.014 5.819) 8.621 20.604 ( 6.005 4.988 -9.708) 12.458 20.690 ( 2.060 -2.938 -7.598) 8.403 21.427 ( 0.945 3.772 1.369) 4.122 21.499 ( -0.074 -2.644 -0.198) 2.653 22.532 ( -0.054 1.376 3.108) 3.400 22.592 ( -0.200 -4.373 4.485) 6.267 ======================= Grid point 50 (25/39) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.344 ( -0.298 0.000 25.908) 25.910 1.482 ( 5.109 0.000 25.244) 25.756 1.720 ( -4.626 0.000 -6.362) 7.866 1.753 ( -2.793 0.000 -3.524) 4.496 1.948 ( 4.655 0.000 2.269) 5.178 2.134 ( -0.489 0.000 13.982) 13.991 2.191 ( 5.065 0.000 9.010) 10.336 2.319 ( 2.619 0.000 -6.857) 7.340 2.331 ( -2.425 0.000 -17.590) 17.756 2.482 ( -3.982 0.000 -11.574) 12.240 2.536 ( -6.839 0.000 13.265) 14.924 2.653 ( 1.808 0.000 -2.922) 3.436 2.823 ( 4.273 0.000 8.637) 9.636 3.013 ( -5.122 0.000 0.021) 5.122 3.075 ( 1.219 0.000 3.112) 3.342 3.108 ( 2.659 0.000 -9.949) 10.298 3.210 ( -4.148 0.000 11.770) 12.480 3.423 ( -0.655 0.000 0.283) 0.714 3.454 ( -2.996 0.000 6.042) 6.744 3.558 ( 7.801 0.000 -2.718) 8.261 3.630 ( 4.435 0.000 -1.702) 4.750 3.674 ( -4.406 0.000 -1.152) 4.555 3.714 ( -1.456 0.000 -3.826) 4.093 3.792 ( -7.895 0.000 -2.426) 8.260 3.898 ( -6.029 0.000 4.304) 7.408 3.920 ( 5.104 0.000 -5.160) 7.258 3.921 ( 1.474 0.000 -14.604) 14.679 3.980 ( 6.684 0.000 -8.545) 10.849 4.105 ( -2.195 0.000 2.062) 3.012 4.133 ( -2.661 0.000 -0.924) 2.817 4.180 ( 10.732 0.000 1.028) 10.781 4.219 ( -7.376 0.000 10.675) 12.976 4.236 ( -0.453 0.000 -1.609) 1.672 4.409 ( 7.241 0.000 -6.644) 9.827 4.431 ( -4.827 0.000 9.380) 10.549 4.602 ( 7.139 0.000 -6.152) 9.425 4.683 ( -0.025 0.000 -1.651) 1.651 4.701 ( 8.220 0.000 2.862) 8.705 4.771 ( -1.424 0.000 -5.761) 5.934 4.852 ( -6.365 0.000 -6.891) 9.381 5.124 ( -0.910 0.000 2.020) 2.216 5.150 ( -5.303 0.000 -0.888) 5.376 5.309 ( 0.868 0.000 5.707) 5.772 5.436 ( 2.603 0.000 -5.553) 6.133 5.561 ( 6.304 0.000 0.151) 6.306 5.563 ( -4.992 0.000 -1.222) 5.139 5.604 ( -4.609 0.000 1.288) 4.785 5.668 ( 1.650 0.000 -3.102) 3.513 5.811 ( -5.573 0.000 3.151) 6.402 5.857 ( 0.221 0.000 -1.969) 1.981 6.014 ( -0.873 0.000 5.355) 5.426 6.113 ( -1.069 0.000 -3.717) 3.867 6.215 ( 1.352 0.000 1.759) 2.219 6.221 ( 1.222 0.000 0.074) 1.224 6.279 ( 0.315 0.000 9.498) 9.503 6.317 ( -4.751 0.000 6.711) 8.222 6.398 ( -2.089 0.000 9.361) 9.591 6.403 ( 4.635 0.000 -1.763) 4.959 6.422 ( -2.749 0.000 1.836) 3.306 6.458 ( 2.180 0.000 -3.984) 4.541 6.482 ( 0.329 0.000 -8.077) 8.083 6.549 ( -0.019 0.000 -5.363) 5.363 6.605 ( 1.778 0.000 0.992) 2.036 6.622 ( -4.001 0.000 -0.077) 4.001 6.766 ( -4.017 0.000 2.409) 4.684 6.817 ( 0.468 0.000 -0.505) 0.689 6.861 ( -1.094 0.000 2.605) 2.826 6.869 ( 2.662 0.000 3.593) 4.472 6.920 ( 5.379 0.000 -1.698) 5.641 6.934 ( -4.562 0.000 -1.316) 4.748 7.043 ( -2.940 0.000 4.545) 5.413 7.072 ( 10.218 0.000 6.936) 12.349 7.145 ( -1.027 0.000 -4.526) 4.641 7.180 ( -6.408 0.000 -2.116) 6.749 7.247 ( -0.747 0.000 5.045) 5.100 7.276 ( -1.374 0.000 -1.944) 2.381 7.299 ( 4.286 0.000 0.034) 4.286 7.369 ( -1.174 0.000 3.163) 3.373 7.370 ( -0.988 0.000 0.561) 1.136 7.421 ( 4.148 0.000 -3.088) 5.171 7.477 ( 2.024 0.000 -0.859) 2.199 7.504 ( 1.609 0.000 -2.508) 2.979 7.612 ( 0.356 0.000 4.650) 4.663 7.645 ( -4.206 0.000 0.693) 4.262 7.662 ( -0.443 0.000 -2.237) 2.281 7.697 ( -0.079 0.000 -0.735) 0.740 7.810 ( 5.614 0.000 3.753) 6.753 7.889 ( 0.560 0.000 -0.704) 0.900 7.914 ( 1.698 0.000 -0.216) 1.712 7.970 ( -0.877 0.000 -2.102) 2.277 7.980 ( -2.549 0.000 -1.619) 3.020 8.000 ( 1.208 0.000 -2.278) 2.579 8.060 ( -0.459 0.000 -2.192) 2.240 8.089 ( 0.158 0.000 -2.904) 2.909 8.153 ( 4.301 0.000 0.138) 4.303 8.198 ( 1.361 0.000 3.067) 3.356 8.199 ( -2.900 0.000 -1.672) 3.348 8.255 ( -0.739 0.000 3.833) 3.904 8.313 ( 2.760 0.000 -4.197) 5.023 8.398 ( 2.020 0.000 1.799) 2.705 8.411 ( -2.099 0.000 -10.487) 10.695 8.461 ( -0.240 0.000 3.837) 3.844 8.484 ( 0.207 0.000 -5.242) 5.246 8.514 ( 1.378 0.000 -3.057) 3.353 8.603 ( -9.291 0.000 2.773) 9.696 8.680 ( -0.948 0.000 -6.352) 6.422 8.772 ( -0.722 0.000 -0.882) 1.140 8.786 ( 1.868 0.000 -4.162) 4.562 8.871 ( 1.621 0.000 2.364) 2.867 8.872 ( -0.516 0.000 3.574) 3.611 9.062 ( 8.227 0.000 4.833) 9.542 9.083 ( -5.396 0.000 0.764) 5.450 9.138 ( 4.076 0.000 -4.103) 5.784 9.146 ( 2.078 0.000 0.373) 2.111 9.174 ( -4.240 0.000 1.283) 4.429 9.236 ( 1.018 0.000 -2.361) 2.571 9.257 ( -3.186 0.000 5.384) 6.256 9.352 ( -2.649 0.000 -1.778) 3.190 9.389 ( 2.267 0.000 8.450) 8.749 9.451 ( -2.151 0.000 -0.577) 2.228 9.455 ( 6.129 0.000 -3.034) 6.839 9.558 ( -2.951 0.000 -6.234) 6.897 9.711 ( -0.979 0.000 1.845) 2.089 9.741 ( -0.878 0.000 -0.923) 1.274 9.819 ( -1.744 0.000 2.430) 2.991 9.902 ( 1.629 0.000 -4.955) 5.215 10.118 ( 1.637 0.000 5.614) 5.848 10.165 ( 1.822 0.000 2.168) 2.832 10.201 ( -1.415 0.000 0.163) 1.425 10.219 ( -0.779 0.000 -2.642) 2.754 10.528 ( -2.573 0.000 0.634) 2.649 10.547 ( 1.796 0.000 -1.016) 2.063 10.822 ( 2.588 0.000 5.689) 6.250 10.914 ( -2.491 0.000 -3.546) 4.334 11.271 ( -5.284 0.000 2.490) 5.841 11.329 ( 4.089 0.000 -2.789) 4.950 11.394 ( 4.066 0.000 1.475) 4.326 11.413 ( -3.584 0.000 -0.432) 3.610 11.691 ( -0.583 0.000 2.862) 2.921 11.725 ( 1.014 0.000 -0.943) 1.384 11.768 ( -2.123 0.000 1.113) 2.397 11.797 ( 1.121 0.000 -1.488) 1.863 11.964 ( -0.462 0.000 1.997) 2.050 11.997 ( -0.360 0.000 -1.787) 1.823 12.104 ( -2.431 0.000 6.241) 6.698 12.234 ( 1.017 0.000 -5.126) 5.226 12.269 ( -1.112 0.000 1.278) 1.694 12.284 ( 0.761 0.000 -0.339) 0.833 12.325 ( 4.430 0.000 3.874) 5.885 12.401 ( -1.580 0.000 4.668) 4.929 12.420 ( -0.936 0.000 -4.709) 4.802 12.424 ( 1.917 0.000 1.044) 2.183 12.468 ( -0.655 0.000 -4.107) 4.159 12.488 ( 0.567 0.000 -3.688) 3.731 12.526 ( -3.919 0.000 2.212) 4.500 12.563 ( 2.254 0.000 -1.048) 2.486 12.799 ( -0.048 0.000 1.177) 1.178 12.830 ( -1.020 0.000 -1.189) 1.567 12.864 ( -2.607 0.000 4.875) 5.528 12.916 ( 0.860 0.000 -0.020) 0.860 12.963 ( -3.841 0.000 1.716) 4.207 12.993 ( 2.089 0.000 0.348) 2.118 13.021 ( -1.371 0.000 -3.023) 3.319 13.049 ( 2.756 0.000 -4.084) 4.927 13.079 ( 2.000 0.000 1.993) 2.823 13.118 ( 1.255 0.000 -1.656) 2.078 13.254 ( 2.394 0.000 1.111) 2.640 13.281 ( -2.998 0.000 -1.093) 3.191 13.346 ( -2.396 0.000 3.871) 4.552 13.410 ( -0.885 0.000 -0.766) 1.171 13.593 ( -4.374 0.000 0.689) 4.428 13.627 ( 3.975 0.000 -2.340) 4.613 13.674 ( -1.119 0.000 2.244) 2.507 13.721 ( 2.150 0.000 -1.276) 2.500 13.768 ( 1.074 0.000 4.446) 4.574 13.841 ( 3.003 0.000 -0.282) 3.016 13.854 ( -2.066 0.000 -2.458) 3.211 13.869 ( -1.103 0.000 -3.578) 3.745 13.986 ( 2.716 0.000 1.609) 3.157 14.051 ( -2.118 0.000 -5.018) 5.447 14.140 ( 3.104 0.000 2.853) 4.215 14.169 ( 0.384 0.000 1.232) 1.291 14.201 ( -1.490 0.000 -1.202) 1.914 14.206 ( -1.782 0.000 -2.907) 3.410 14.399 ( -3.046 0.000 9.215) 9.705 14.496 ( 3.631 0.000 1.146) 3.808 14.516 ( -3.970 0.000 0.803) 4.051 14.538 ( -0.359 0.000 2.670) 2.694 14.597 ( -1.181 0.000 -7.657) 7.747 14.651 ( 2.930 0.000 -8.364) 8.863 14.811 ( 2.883 0.000 4.211) 5.103 14.873 ( -1.470 0.000 -2.347) 2.769 15.132 ( -4.960 0.000 5.364) 7.306 15.231 ( 1.837 0.000 -4.280) 4.657 15.406 ( -1.560 0.000 5.022) 5.259 15.461 ( 4.894 0.000 -1.261) 5.054 15.464 ( -1.372 0.000 4.993) 5.178 15.590 ( -1.415 0.000 -4.394) 4.616 15.776 ( 2.383 0.000 1.751) 2.958 15.847 ( -0.841 0.000 -6.596) 6.650 16.054 ( -6.984 0.000 10.698) 12.776 16.276 ( 6.629 0.000 -9.990) 11.990 16.359 ( -1.409 0.000 -1.031) 1.746 16.374 ( 1.504 0.000 -1.125) 1.878 16.739 ( 0.980 0.000 2.439) 2.629 16.743 ( -0.889 0.000 0.954) 1.304 16.843 ( -7.419 0.000 -0.905) 7.474 16.871 ( 5.982 0.000 -2.126) 6.349 17.169 ( 0.061 0.000 1.401) 1.402 17.199 ( 4.245 0.000 -1.500) 4.502 17.344 ( -0.506 0.000 -0.366) 0.625 17.345 ( -1.866 0.000 -0.040) 1.866 17.593 ( 3.919 0.000 5.830) 7.025 17.595 ( -4.026 0.000 4.121) 5.762 17.665 ( 2.149 0.000 2.223) 3.092 17.720 ( -3.629 0.000 -3.988) 5.392 17.749 ( 2.948 0.000 -1.221) 3.191 17.836 ( -5.671 0.000 -7.737) 9.593 17.930 ( -5.097 0.000 6.129) 7.972 18.031 ( 8.396 0.000 -3.607) 9.138 18.094 ( 2.481 0.000 8.844) 9.186 18.250 ( 2.241 0.000 -2.729) 3.532 18.313 ( -0.293 0.000 -2.085) 2.105 18.332 ( -4.909 0.000 -1.781) 5.222 18.445 ( -0.092 0.000 3.037) 3.038 18.537 ( 2.234 0.000 -4.849) 5.340 18.685 ( -1.357 0.000 4.988) 5.169 18.786 ( 1.812 0.000 -5.130) 5.441 18.815 ( 0.528 0.000 6.009) 6.032 18.966 ( -4.485 0.000 -7.691) 8.903 19.244 ( 0.196 0.000 2.172) 2.181 19.263 ( 3.720 0.000 0.026) 3.720 20.174 ( -6.789 0.000 5.202) 8.553 20.277 ( 2.838 0.000 -4.983) 5.735 20.442 ( 10.211 0.000 4.249) 11.060 20.554 ( -2.642 0.000 -6.269) 6.803 21.451 ( -1.891 0.000 4.635) 5.006 21.528 ( 1.745 0.000 -2.952) 3.429 22.640 ( 1.643 0.000 6.188) 6.403 22.759 ( -6.597 0.000 -5.295) 8.459 ======================= Grid point 51 (26/39) ======================= q-point: ( 0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.590 ( 11.945 0.000 18.493) 22.015 1.666 ( 6.492 0.000 -7.233) 9.719 1.723 ( 5.171 0.000 12.243) 13.291 1.749 ( 3.940 0.000 -6.245) 7.384 2.057 ( -4.695 0.000 -4.098) 6.232 2.136 ( 9.728 0.000 13.318) 16.493 2.234 ( 0.101 0.000 -12.235) 12.236 2.338 ( 0.834 0.000 -4.634) 4.708 2.344 ( 1.168 0.000 8.603) 8.682 2.347 ( -3.082 0.000 -7.608) 8.208 2.654 ( -0.676 0.000 -8.773) 8.799 2.655 ( 9.997 0.000 8.006) 12.807 2.813 ( -7.523 0.000 -2.738) 8.005 2.964 ( 2.137 0.000 8.413) 8.680 3.125 ( 2.037 0.000 10.525) 10.720 3.222 ( 2.684 0.000 10.776) 11.105 3.234 ( 8.524 0.000 -6.400) 10.659 3.343 ( -5.073 0.000 -0.006) 5.073 3.393 ( -5.708 0.000 0.425) 5.724 3.581 ( -2.503 0.000 2.436) 3.493 3.597 ( -1.328 0.000 -2.302) 2.658 3.628 ( -8.798 0.000 3.130) 9.338 3.724 ( -2.031 0.000 -0.387) 2.067 3.727 ( -3.250 0.000 4.128) 5.254 3.856 ( 0.699 0.000 0.264) 0.747 3.863 ( 3.823 0.000 -2.715) 4.689 3.924 ( 9.489 0.000 -22.630) 24.539 3.980 ( 2.804 0.000 -2.262) 3.603 4.090 ( 0.503 0.000 6.003) 6.024 4.099 ( -3.687 0.000 -1.290) 3.906 4.234 ( 5.957 0.000 -3.247) 6.785 4.308 ( 2.967 0.000 -2.759) 4.051 4.322 ( 0.113 0.000 3.594) 3.596 4.422 ( 4.058 0.000 4.234) 5.864 4.470 ( -13.665 0.000 -1.958) 13.805 4.591 ( 8.183 0.000 -5.842) 10.055 4.684 ( 7.294 0.000 -5.763) 9.296 4.708 ( -0.392 0.000 -9.205) 9.213 4.820 ( 0.261 0.000 9.647) 9.651 4.855 ( 2.555 0.000 -2.979) 3.924 5.005 ( -9.206 0.000 2.690) 9.591 5.110 ( -1.136 0.000 4.636) 4.774 5.346 ( -3.555 0.000 1.105) 3.723 5.384 ( -15.873 0.000 4.734) 16.564 5.409 ( -18.899 0.000 3.594) 19.238 5.520 ( -0.126 0.000 6.521) 6.522 5.530 ( 3.346 0.000 -5.810) 6.705 5.681 ( 3.880 0.000 -2.812) 4.792 5.754 ( 2.211 0.000 -1.232) 2.531 5.855 ( 0.461 0.000 -1.493) 1.562 6.047 ( -2.266 0.000 -1.347) 2.636 6.069 ( 3.740 0.000 1.048) 3.884 6.217 ( -3.228 0.000 0.024) 3.228 6.233 ( -1.535 0.000 3.764) 4.065 6.279 ( -1.160 0.000 5.582) 5.701 6.355 ( -0.851 0.000 8.997) 9.038 6.382 ( -2.502 0.000 4.083) 4.789 6.392 ( -4.800 0.000 -4.005) 6.252 6.434 ( 4.636 0.000 6.275) 7.802 6.440 ( 0.627 0.000 -2.903) 2.970 6.503 ( -0.224 0.000 -4.437) 4.443 6.521 ( 4.448 0.000 -3.134) 5.441 6.580 ( -5.641 0.000 0.374) 5.653 6.595 ( 1.523 0.000 -2.563) 2.981 6.690 ( -6.366 0.000 4.035) 7.537 6.794 ( -5.892 0.000 -1.747) 6.146 6.820 ( -1.639 0.000 3.194) 3.590 6.857 ( -2.800 0.000 0.921) 2.948 6.905 ( 5.440 0.000 2.268) 5.894 7.012 ( 2.161 0.000 -4.775) 5.241 7.033 ( -2.111 0.000 2.586) 3.338 7.083 ( -1.819 0.000 -0.941) 2.048 7.115 ( 1.618 0.000 2.237) 2.761 7.240 ( -1.476 0.000 -0.840) 1.698 7.243 ( -2.997 0.000 -1.506) 3.354 7.306 ( 2.415 0.000 3.613) 4.346 7.319 ( 0.823 0.000 0.646) 1.046 7.341 ( -2.700 0.000 1.362) 3.024 7.431 ( -5.356 0.000 -6.751) 8.618 7.435 ( 8.063 0.000 0.479) 8.077 7.476 ( -2.242 0.000 0.348) 2.269 7.502 ( 5.809 0.000 -1.338) 5.961 7.584 ( -0.153 0.000 1.557) 1.565 7.588 ( 1.843 0.000 -0.169) 1.851 7.707 ( 0.632 0.000 0.796) 1.016 7.745 ( 2.679 0.000 1.977) 3.330 7.833 ( -0.587 0.000 -6.106) 6.134 7.908 ( -2.782 0.000 -3.493) 4.465 7.908 ( 0.556 0.000 2.051) 2.125 7.972 ( 5.104 0.000 0.712) 5.154 8.000 ( 1.751 0.000 -6.041) 6.289 8.054 ( -0.938 0.000 1.635) 1.885 8.055 ( 1.475 0.000 -1.652) 2.215 8.083 ( 2.094 0.000 -6.272) 6.613 8.130 ( -4.580 0.000 6.338) 7.820 8.152 ( 0.309 0.000 -3.526) 3.539 8.237 ( -1.959 0.000 2.035) 2.824 8.269 ( -4.718 0.000 -7.864) 9.171 8.297 ( 3.420 0.000 4.542) 5.686 8.363 ( 1.995 0.000 -3.395) 3.937 8.410 ( -3.456 0.000 1.640) 3.825 8.421 ( -2.759 0.000 -10.101) 10.471 8.479 ( 2.461 0.000 2.101) 3.236 8.551 ( 1.459 0.000 6.821) 6.976 8.583 ( 8.503 0.000 -3.079) 9.044 8.650 ( -0.946 0.000 3.499) 3.625 8.790 ( 2.306 0.000 0.669) 2.401 8.827 ( 2.973 0.000 -2.017) 3.593 8.882 ( 0.697 0.000 -1.478) 1.634 8.913 ( 1.774 0.000 0.936) 2.005 8.966 ( -7.260 0.000 1.294) 7.375 9.021 ( -3.374 0.000 -2.060) 3.953 9.078 ( -3.214 0.000 0.007) 3.214 9.179 ( -3.352 0.000 1.963) 3.885 9.194 ( -2.167 0.000 0.735) 2.288 9.270 ( 0.667 0.000 -4.122) 4.175 9.279 ( 1.534 0.000 2.453) 2.893 9.343 ( 5.759 0.000 -4.181) 7.117 9.431 ( 1.720 0.000 4.249) 4.584 9.505 ( 2.631 0.000 -3.484) 4.366 9.532 ( 5.561 0.000 4.768) 7.325 9.630 ( 10.499 0.000 -1.077) 10.554 9.726 ( 0.448 0.000 0.728) 0.855 9.733 ( 0.103 0.000 0.821) 0.827 9.781 ( -2.903 0.000 2.242) 3.668 9.891 ( -0.233 0.000 -2.900) 2.909 10.127 ( -2.874 0.000 4.283) 5.158 10.151 ( -2.103 0.000 -4.518) 4.984 10.159 ( -2.751 0.000 0.371) 2.776 10.208 ( -0.081 0.000 0.944) 0.947 10.513 ( -0.262 0.000 1.903) 1.921 10.619 ( 5.916 0.000 -0.373) 5.928 10.818 ( -5.353 0.000 -4.669) 7.103 10.862 ( -1.032 0.000 4.881) 4.989 11.187 ( -4.534 0.000 3.124) 5.506 11.318 ( -4.367 0.000 -1.444) 4.600 11.389 ( 1.794 0.000 0.061) 1.795 11.451 ( 1.045 0.000 1.373) 1.726 11.707 ( 0.550 0.000 0.848) 1.011 11.744 ( 0.932 0.000 -1.447) 1.721 11.745 ( -0.429 0.000 2.023) 2.068 11.815 ( 1.507 0.000 -0.056) 1.509 11.973 ( 0.492 0.000 2.341) 2.392 11.988 ( 0.069 0.000 -0.791) 0.794 12.092 ( -2.589 0.000 7.011) 7.474 12.227 ( 0.635 0.000 -4.364) 4.410 12.243 ( -2.071 0.000 1.824) 2.760 12.295 ( 0.792 0.000 -0.471) 0.921 12.347 ( -2.635 0.000 -5.441) 6.045 12.353 ( -5.009 0.000 4.144) 6.501 12.418 ( -1.662 0.000 -5.624) 5.864 12.423 ( 3.106 0.000 2.819) 4.195 12.444 ( -0.305 0.000 0.521) 0.604 12.498 ( 2.046 0.000 -3.076) 3.695 12.530 ( 2.917 0.000 2.638) 3.933 12.623 ( 3.488 0.000 0.676) 3.553 12.763 ( -3.328 0.000 -0.149) 3.331 12.772 ( -4.014 0.000 1.861) 4.425 12.880 ( -1.085 0.000 6.667) 6.754 12.885 ( -2.349 0.000 2.185) 3.208 12.940 ( -1.510 0.000 2.700) 3.094 12.983 ( -0.138 0.000 -4.397) 4.399 13.038 ( 2.098 0.000 0.686) 2.207 13.064 ( 0.292 0.000 -1.251) 1.284 13.137 ( 2.112 0.000 -3.678) 4.241 13.147 ( 4.317 0.000 -4.789) 6.448 13.225 ( 0.279 0.000 -0.353) 0.450 13.280 ( -0.491 0.000 2.217) 2.270 13.373 ( 1.401 0.000 6.219) 6.375 13.407 ( -0.466 0.000 2.575) 2.616 13.513 ( -3.092 0.000 -1.280) 3.346 13.672 ( -0.019 0.000 1.011) 1.011 13.672 ( 1.352 0.000 -4.384) 4.588 13.735 ( -0.542 0.000 1.374) 1.477 13.808 ( -0.445 0.000 -4.035) 4.059 13.821 ( 1.044 0.000 6.460) 6.544 13.850 ( 0.993 0.000 -4.446) 4.556 13.887 ( 1.833 0.000 -0.417) 1.880 13.984 ( -1.393 0.000 -2.356) 2.737 14.023 ( 0.776 0.000 -1.921) 2.072 14.123 ( -2.023 0.000 -1.545) 2.545 14.135 ( -3.110 0.000 -0.129) 3.113 14.201 ( -1.029 0.000 1.918) 2.176 14.211 ( 1.103 0.000 -0.210) 1.123 14.396 ( -2.018 0.000 11.691) 11.863 14.440 ( -3.248 0.000 0.363) 3.268 14.515 ( -1.790 0.000 -5.799) 6.069 14.564 ( 0.510 0.000 3.969) 4.002 14.578 ( 2.623 0.000 0.210) 2.632 14.668 ( 3.008 0.000 -8.782) 9.283 14.854 ( -1.080 0.000 5.255) 5.365 14.858 ( 1.764 0.000 -4.238) 4.590 15.108 ( 0.238 0.000 5.795) 5.800 15.229 ( -0.331 0.000 -2.721) 2.741 15.336 ( -5.014 0.000 -0.112) 5.015 15.470 ( -2.489 0.000 -2.491) 3.522 15.505 ( 0.085 0.000 9.700) 9.701 15.615 ( 5.811 0.000 -5.188) 7.790 15.800 ( -0.405 0.000 -5.602) 5.616 15.818 ( 1.076 0.000 0.094) 1.080 16.019 ( -2.143 0.000 11.379) 11.579 16.329 ( -0.799 0.000 -0.888) 1.194 16.371 ( 7.065 0.000 -9.020) 11.458 16.391 ( 1.015 0.000 -1.747) 2.021 16.665 ( -8.359 0.000 6.820) 10.788 16.743 ( 0.980 0.000 -2.014) 2.239 16.803 ( 2.197 0.000 -2.348) 3.216 16.966 ( 3.920 0.000 -0.203) 3.925 17.120 ( -4.915 0.000 -1.024) 5.021 17.218 ( -0.048 0.000 -4.115) 4.115 17.301 ( -2.840 0.000 0.507) 2.885 17.353 ( -0.647 0.000 0.966) 1.163 17.601 ( 1.492 0.000 6.281) 6.456 17.630 ( -0.555 0.000 1.629) 1.721 17.654 ( 0.204 0.000 -2.938) 2.945 17.666 ( -6.492 0.000 7.375) 9.826 17.716 ( -3.678 0.000 -6.190) 7.200 17.823 ( 0.929 0.000 1.488) 1.755 17.910 ( 6.173 0.000 5.399) 8.201 18.079 ( 0.910 0.000 -8.934) 8.980 18.175 ( 2.748 0.000 5.328) 5.995 18.198 ( -3.178 0.000 -3.197) 4.508 18.276 ( -1.764 0.000 -3.515) 3.933 18.400 ( 6.572 0.000 4.445) 7.934 18.461 ( -0.122 0.000 -0.708) 0.718 18.575 ( 3.632 0.000 -4.786) 6.008 18.656 ( -3.560 0.000 5.162) 6.270 18.761 ( -3.303 0.000 -5.982) 6.834 18.824 ( -3.601 0.000 -2.818) 4.572 18.869 ( 0.582 0.000 6.587) 6.613 19.262 ( 0.991 0.000 0.525) 1.121 19.355 ( 5.710 0.000 -4.366) 7.188 20.034 ( -10.497 0.000 9.177) 13.943 20.197 ( -7.121 0.000 -4.795) 8.585 20.549 ( 5.504 0.000 -9.173) 10.697 20.553 ( 0.099 0.000 1.604) 1.607 21.412 ( -4.162 0.000 5.004) 6.509 21.532 ( 0.522 0.000 -4.018) 4.052 22.628 ( -3.939 0.000 0.459) 3.965 22.677 ( -1.697 0.000 7.160) 7.358 ======================= Grid point 52 (27/39) ======================= q-point: (-0.60 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.750 ( -9.264 0.000 6.797) 11.490 1.768 ( 1.428 0.000 -3.399) 3.687 1.806 ( 10.457 0.000 -3.947) 11.177 1.867 ( 5.261 0.000 10.737) 11.957 1.937 ( -5.126 0.000 -2.568) 5.734 2.142 ( -8.464 0.000 -2.545) 8.838 2.241 ( 6.249 0.000 -8.841) 10.827 2.345 ( 0.094 0.000 -5.966) 5.966 2.438 ( 4.893 0.000 9.243) 10.458 2.457 ( 9.535 0.000 18.193) 20.540 2.589 ( 0.813 0.000 -5.703) 5.761 2.820 ( 9.085 0.000 -4.099) 9.967 2.831 ( 6.981 0.000 2.244) 7.333 2.936 ( -1.599 0.000 -9.428) 9.562 3.104 ( -11.854 0.000 10.775) 16.019 3.236 ( -5.536 0.000 1.555) 5.750 3.245 ( -1.464 0.000 -3.776) 4.050 3.341 ( -13.155 0.000 0.763) 13.178 3.357 ( 1.146 0.000 -7.120) 7.212 3.371 ( 3.813 0.000 -3.400) 5.109 3.611 ( 2.490 0.000 5.894) 6.398 3.641 ( 5.243 0.000 3.711) 6.423 3.702 ( 0.896 0.000 0.940) 1.299 3.719 ( -0.460 0.000 1.325) 1.403 3.906 ( -4.133 0.000 -0.514) 4.165 3.941 ( -5.382 0.000 -4.449) 6.983 3.980 ( 3.916 0.000 -1.111) 4.070 4.004 ( 0.413 0.000 -0.754) 0.860 4.112 ( -9.365 0.000 -1.517) 9.487 4.117 ( 10.943 0.000 -11.748) 16.055 4.276 ( 1.219 0.000 17.436) 17.479 4.300 ( 3.141 0.000 -2.448) 3.983 4.363 ( 11.003 0.000 -5.694) 12.389 4.434 ( 4.142 0.000 12.073) 12.764 4.530 ( -15.206 0.000 2.741) 15.451 4.558 ( 2.982 0.000 6.585) 7.229 4.672 ( 1.207 0.000 -2.290) 2.589 4.682 ( 2.073 0.000 -4.981) 5.395 4.806 ( -6.926 0.000 -0.029) 6.926 4.828 ( -2.132 0.000 7.337) 7.641 4.929 ( 7.743 0.000 -5.095) 9.269 5.104 ( -2.586 0.000 0.610) 2.657 5.186 ( 0.950 0.000 7.363) 7.424 5.247 ( -3.383 0.000 -2.365) 4.128 5.249 ( -5.218 0.000 -1.994) 5.586 5.505 ( -7.575 0.000 -5.471) 9.344 5.617 ( 5.770 0.000 -2.592) 6.326 5.691 ( -2.013 0.000 -0.619) 2.106 5.814 ( 3.891 0.000 -0.267) 3.900 5.848 ( 0.952 0.000 -0.584) 1.117 6.040 ( 1.363 0.000 -3.810) 4.046 6.080 ( -2.827 0.000 -0.753) 2.926 6.113 ( -4.478 0.000 2.489) 5.123 6.199 ( -2.662 0.000 0.760) 2.768 6.296 ( -4.833 0.000 5.959) 7.673 6.315 ( -3.215 0.000 10.212) 10.706 6.341 ( 1.859 0.000 -3.394) 3.870 6.442 ( 0.919 0.000 0.787) 1.210 6.446 ( 4.607 0.000 6.870) 8.272 6.477 ( -1.983 0.000 -0.103) 1.985 6.493 ( -1.089 0.000 -0.608) 1.247 6.545 ( 2.708 0.000 1.567) 3.129 6.563 ( -2.339 0.000 -3.261) 4.013 6.584 ( 2.213 0.000 -2.352) 3.229 6.646 ( 0.877 0.000 1.830) 2.029 6.697 ( -2.904 0.000 -2.029) 3.543 6.820 ( -0.408 0.000 -1.020) 1.098 6.838 ( 0.361 0.000 -0.323) 0.484 6.936 ( -3.556 0.000 10.325) 10.920 6.976 ( -3.246 0.000 -2.730) 4.242 6.996 ( -3.903 0.000 -7.148) 8.144 7.081 ( -2.971 0.000 2.944) 4.183 7.145 ( 5.748 0.000 -3.319) 6.638 7.162 ( 0.313 0.000 -4.026) 4.038 7.243 ( 0.355 0.000 4.428) 4.442 7.288 ( -1.851 0.000 -0.205) 1.863 7.302 ( -2.894 0.000 0.303) 2.910 7.334 ( -1.259 0.000 2.587) 2.877 7.369 ( 2.843 0.000 -1.862) 3.399 7.453 ( -1.823 0.000 0.350) 1.856 7.533 ( 1.180 0.000 2.424) 2.696 7.610 ( 3.999 0.000 2.179) 4.554 7.628 ( 2.062 0.000 5.749) 6.107 7.637 ( 4.443 0.000 -5.797) 7.304 7.699 ( -1.122 0.000 2.594) 2.827 7.767 ( -4.933 0.000 -0.322) 4.944 7.819 ( 3.330 0.000 0.905) 3.450 7.891 ( 3.202 0.000 -6.838) 7.550 7.934 ( 0.633 0.000 0.486) 0.799 7.939 ( -4.545 0.000 0.157) 4.547 7.961 ( -4.613 0.000 -8.038) 9.268 8.009 ( -0.159 0.000 -5.329) 5.332 8.064 ( 3.390 0.000 -3.556) 4.913 8.084 ( -0.039 0.000 -2.544) 2.545 8.102 ( -3.159 0.000 6.208) 6.965 8.197 ( -2.009 0.000 0.645) 2.111 8.199 ( 1.991 0.000 -4.059) 4.521 8.217 ( 5.071 0.000 -6.216) 8.023 8.297 ( -6.164 0.000 1.129) 6.267 8.322 ( 0.044 0.000 -9.826) 9.826 8.366 ( -1.270 0.000 9.027) 9.116 8.424 ( 3.088 0.000 1.795) 3.571 8.540 ( 1.170 0.000 -0.177) 1.183 8.585 ( -2.781 0.000 -2.424) 3.689 8.654 ( 5.912 0.000 2.724) 6.510 8.784 ( 8.644 0.000 -0.463) 8.656 8.823 ( -2.179 0.000 -2.349) 3.205 8.839 ( 1.954 0.000 2.623) 3.271 8.925 ( 0.787 0.000 2.829) 2.937 8.933 ( 4.740 0.000 -0.576) 4.775 8.939 ( 1.840 0.000 1.534) 2.395 9.017 ( -3.716 0.000 0.064) 3.716 9.030 ( 0.737 0.000 6.292) 6.335 9.088 ( -3.154 0.000 -3.798) 4.937 9.106 ( -4.296 0.000 -1.133) 4.442 9.262 ( 0.109 0.000 -6.129) 6.130 9.290 ( -1.521 0.000 1.488) 2.128 9.367 ( 0.436 0.000 -7.589) 7.601 9.514 ( 4.273 0.000 4.030) 5.874 9.567 ( -1.530 0.000 4.936) 5.168 9.623 ( 1.409 0.000 3.211) 3.507 9.663 ( 0.285 0.000 -3.032) 3.045 9.745 ( 0.236 0.000 2.757) 2.767 9.756 ( 0.517 0.000 0.889) 1.028 9.854 ( 8.011 0.000 -0.660) 8.039 9.871 ( -1.436 0.000 -0.215) 1.452 10.062 ( -4.158 0.000 0.143) 4.161 10.096 ( -1.563 0.000 -4.158) 4.442 10.126 ( -2.389 0.000 5.035) 5.573 10.206 ( 0.633 0.000 -1.746) 1.857 10.529 ( 0.999 0.000 3.470) 3.611 10.687 ( -4.373 0.000 -4.130) 6.015 10.752 ( 6.849 0.000 -1.295) 6.971 10.828 ( -4.681 0.000 3.094) 5.611 11.151 ( -0.726 0.000 3.384) 3.461 11.237 ( -2.875 0.000 -1.618) 3.299 11.422 ( 1.274 0.000 1.820) 2.222 11.450 ( -1.527 0.000 1.499) 2.140 11.703 ( -0.625 0.000 0.801) 1.016 11.741 ( -0.017 0.000 -1.930) 1.930 11.780 ( 2.196 0.000 1.255) 2.529 11.827 ( -1.061 0.000 0.342) 1.114 12.008 ( 1.939 0.000 2.080) 2.844 12.013 ( 2.974 0.000 0.231) 2.983 12.071 ( -2.932 0.000 6.613) 7.234 12.199 ( -1.423 0.000 -4.370) 4.596 12.220 ( -1.725 0.000 3.055) 3.509 12.277 ( -4.517 0.000 4.416) 6.317 12.291 ( -1.106 0.000 -2.179) 2.444 12.308 ( 0.092 0.000 -1.355) 1.358 12.398 ( 3.988 0.000 -7.345) 8.357 12.404 ( -3.552 0.000 0.384) 3.573 12.483 ( 1.755 0.000 0.593) 1.852 12.515 ( 0.733 0.000 -1.742) 1.890 12.616 ( 4.297 0.000 1.725) 4.630 12.694 ( 1.068 0.000 3.062) 3.243 12.705 ( -0.219 0.000 -1.815) 1.829 12.718 ( -2.234 0.000 2.156) 3.105 12.852 ( -3.373 0.000 4.350) 5.504 12.887 ( -0.784 0.000 5.800) 5.853 12.932 ( -0.441 0.000 2.987) 3.019 12.970 ( 1.261 0.000 -5.798) 5.933 13.064 ( 0.727 0.000 -0.719) 1.022 13.068 ( 0.664 0.000 -0.347) 0.749 13.162 ( 1.442 0.000 -2.352) 2.759 13.180 ( 2.024 0.000 -5.055) 5.446 13.271 ( 3.035 0.000 -0.988) 3.192 13.272 ( -1.264 0.000 2.323) 2.645 13.373 ( -4.033 0.000 5.894) 7.142 13.416 ( -0.243 0.000 4.471) 4.477 13.514 ( 3.485 0.000 -2.054) 4.046 13.616 ( -3.048 0.000 -5.943) 6.679 13.679 ( 0.289 0.000 0.388) 0.484 13.745 ( -0.881 0.000 -0.259) 0.918 13.791 ( 1.390 0.000 -1.893) 2.349 13.827 ( -3.951 0.000 6.431) 7.548 13.852 ( 2.004 0.000 -2.042) 2.861 13.904 ( 0.693 0.000 -3.074) 3.151 14.010 ( 1.641 0.000 2.360) 2.874 14.029 ( 2.470 0.000 -3.823) 4.551 14.076 ( -1.216 0.000 -2.586) 2.857 14.103 ( -1.138 0.000 0.022) 1.138 14.155 ( -3.871 0.000 2.042) 4.377 14.204 ( -0.382 0.000 -2.165) 2.199 14.385 ( -3.463 0.000 6.387) 7.265 14.457 ( 2.206 0.000 6.630) 6.987 14.476 ( 0.659 0.000 -5.286) 5.327 14.589 ( 0.384 0.000 2.509) 2.538 14.608 ( 1.052 0.000 -2.056) 2.310 14.674 ( 1.609 0.000 -7.033) 7.214 14.825 ( -4.925 0.000 7.440) 8.923 14.897 ( 4.431 0.000 -5.231) 6.855 15.171 ( 3.039 0.000 1.570) 3.420 15.203 ( -0.792 0.000 -1.928) 2.084 15.254 ( -3.611 0.000 3.587) 5.090 15.412 ( -1.798 0.000 -4.156) 4.529 15.543 ( -1.094 0.000 9.589) 9.651 15.655 ( 0.558 0.000 -3.768) 3.809 15.808 ( -1.602 0.000 -1.408) 2.133 15.816 ( 4.789 0.000 -5.508) 7.299 16.082 ( 2.643 0.000 11.179) 11.488 16.297 ( -2.145 0.000 -1.078) 2.400 16.384 ( -1.821 0.000 -0.260) 1.839 16.446 ( 5.326 0.000 -9.830) 11.180 16.581 ( -3.745 0.000 7.912) 8.753 16.733 ( -0.223 0.000 -6.236) 6.240 16.853 ( 4.113 0.000 -0.635) 4.162 16.957 ( -4.367 0.000 -1.170) 4.521 17.083 ( 0.858 0.000 3.158) 3.273 17.190 ( -0.752 0.000 -4.472) 4.535 17.253 ( -0.611 0.000 -0.412) 0.737 17.303 ( -3.600 0.000 -0.129) 3.602 17.526 ( -8.891 0.000 7.642) 11.724 17.626 ( 0.635 0.000 -7.057) 7.085 17.643 ( -0.052 0.000 3.237) 3.238 17.686 ( 1.830 0.000 0.911) 2.044 17.726 ( 5.853 0.000 4.859) 7.607 17.878 ( 1.512 0.000 0.131) 1.518 18.015 ( 1.020 0.000 4.986) 5.089 18.044 ( -0.157 0.000 -2.697) 2.702 18.172 ( 1.757 0.000 -3.659) 4.059 18.176 ( -5.736 0.000 -2.613) 6.303 18.300 ( 7.744 0.000 1.378) 7.865 18.408 ( -5.001 0.000 -0.663) 5.045 18.509 ( 2.236 0.000 2.191) 3.130 18.583 ( 0.711 0.000 -6.868) 6.905 18.608 ( -3.892 0.000 5.333) 6.602 18.695 ( 0.464 0.000 -3.090) 3.125 18.807 ( 0.736 0.000 -0.071) 0.739 18.885 ( -0.133 0.000 -0.341) 0.366 19.279 ( -0.675 0.000 4.009) 4.065 19.409 ( 2.614 0.000 -6.278) 6.801 19.905 ( -7.966 0.000 11.479) 13.972 20.074 ( -1.541 0.000 -6.615) 6.792 20.518 ( -4.157 0.000 4.216) 5.920 20.613 ( 5.322 0.000 -9.205) 10.633 21.371 ( -2.543 0.000 6.445) 6.928 21.512 ( -0.035 0.000 -5.485) 5.486 22.627 ( 2.829 0.000 0.703) 2.916 22.649 ( -3.873 0.000 4.860) 6.215 ======================= Grid point 53 (28/39) ======================= q-point: (-0.40 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.515 ( -17.930 0.000 16.652) 24.470 1.652 ( -15.615 0.000 15.072) 21.702 1.889 ( -0.924 0.000 -0.925) 1.307 1.939 ( 3.842 0.000 -3.403) 5.132 1.940 ( 1.127 0.000 2.510) 2.751 1.994 ( -7.251 0.000 2.486) 7.665 2.304 ( 1.707 0.000 -12.990) 13.102 2.338 ( 5.646 0.000 -4.891) 7.470 2.559 ( 1.636 0.000 -0.733) 1.793 2.576 ( 1.344 0.000 -4.337) 4.541 2.722 ( 9.202 0.000 11.032) 14.366 2.725 ( -14.306 0.000 2.392) 14.504 2.850 ( -1.262 0.000 -12.856) 12.918 2.911 ( -8.226 0.000 -5.086) 9.671 3.114 ( 3.350 0.000 7.545) 8.256 3.150 ( 8.477 0.000 -2.019) 8.714 3.238 ( 7.077 0.000 3.822) 8.043 3.267 ( -0.276 0.000 3.664) 3.674 3.399 ( 3.496 0.000 -3.657) 5.059 3.424 ( 6.343 0.000 -7.669) 9.952 3.503 ( -27.516 0.000 19.458) 33.700 3.683 ( -0.257 0.000 0.467) 0.533 3.737 ( 5.244 0.000 4.048) 6.625 3.744 ( -10.350 0.000 10.541) 14.773 3.800 ( -3.600 0.000 -6.663) 7.574 3.865 ( 9.361 0.000 1.725) 9.518 3.871 ( 2.446 0.000 -4.202) 4.862 4.019 ( -0.954 0.000 -2.348) 2.534 4.033 ( 1.097 0.000 -1.104) 1.556 4.110 ( -4.550 0.000 -1.562) 4.810 4.244 ( -0.438 0.000 4.530) 4.551 4.359 ( 1.467 0.000 2.833) 3.190 4.361 ( -4.493 0.000 -2.663) 5.223 4.532 ( 1.662 0.000 1.430) 2.193 4.569 ( -4.218 0.000 6.473) 7.726 4.622 ( -8.074 0.000 0.570) 8.094 4.664 ( 0.294 0.000 -3.488) 3.501 4.727 ( -2.316 0.000 4.028) 4.647 4.853 ( -5.108 0.000 -9.626) 10.898 4.973 ( 16.293 0.000 7.524) 17.947 4.991 ( 9.555 0.000 -16.680) 19.223 5.070 ( 11.737 0.000 -5.332) 12.892 5.171 ( 1.502 0.000 2.919) 3.283 5.269 ( 5.443 0.000 -2.509) 5.994 5.348 ( 2.277 0.000 -7.511) 7.849 5.365 ( 10.815 0.000 8.207) 13.576 5.572 ( -8.707 0.000 -0.485) 8.720 5.681 ( 0.863 0.000 0.253) 0.900 5.833 ( -3.894 0.000 -1.721) 4.257 5.853 ( 0.093 0.000 -0.885) 0.889 5.993 ( -4.709 0.000 0.160) 4.712 6.043 ( 3.151 0.000 2.609) 4.091 6.168 ( 0.022 0.000 -1.778) 1.778 6.188 ( 6.272 0.000 0.947) 6.343 6.236 ( -2.733 0.000 6.200) 6.776 6.308 ( -2.688 0.000 10.447) 10.788 6.371 ( -0.479 0.000 2.379) 2.427 6.419 ( -3.588 0.000 -3.581) 5.069 6.483 ( 4.516 0.000 -3.456) 5.686 6.487 ( -1.123 0.000 2.935) 3.143 6.502 ( -4.336 0.000 3.717) 5.711 6.553 ( 2.205 0.000 0.228) 2.216 6.576 ( 1.943 0.000 -0.843) 2.118 6.614 ( 1.848 0.000 -3.796) 4.222 6.657 ( 1.968 0.000 0.912) 2.169 6.725 ( 5.689 0.000 -2.873) 6.374 6.794 ( -1.880 0.000 2.337) 2.999 6.818 ( -1.197 0.000 -1.105) 1.629 6.879 ( -1.739 0.000 1.646) 2.394 6.913 ( -2.037 0.000 0.350) 2.067 7.002 ( 4.523 0.000 6.806) 8.172 7.076 ( -5.477 0.000 3.860) 6.701 7.130 ( 1.268 0.000 -6.569) 6.690 7.147 ( -1.628 0.000 0.102) 1.632 7.267 ( -1.705 0.000 0.642) 1.822 7.278 ( -0.364 0.000 4.415) 4.430 7.294 ( 2.608 0.000 2.348) 3.509 7.361 ( -2.295 0.000 -4.633) 5.171 7.399 ( 2.586 0.000 5.131) 5.746 7.399 ( -0.904 0.000 -2.956) 3.091 7.527 ( -3.456 0.000 4.246) 5.475 7.570 ( -5.032 0.000 -3.051) 5.885 7.681 ( -1.132 0.000 -4.114) 4.267 7.705 ( -0.324 0.000 1.385) 1.423 7.721 ( 1.552 0.000 12.403) 12.499 7.746 ( 4.636 0.000 -3.428) 5.766 7.852 ( -1.636 0.000 -3.978) 4.301 7.860 ( 1.357 0.000 -8.612) 8.719 7.895 ( -3.664 0.000 -3.262) 4.906 7.897 ( 1.460 0.000 5.376) 5.571 7.928 ( 2.259 0.000 -1.019) 2.478 8.013 ( 2.550 0.000 -5.712) 6.255 8.059 ( -1.011 0.000 -2.396) 2.601 8.074 ( -1.148 0.000 2.133) 2.422 8.118 ( 2.404 0.000 -1.888) 3.057 8.157 ( -4.419 0.000 1.529) 4.676 8.193 ( -1.422 0.000 1.819) 2.309 8.225 ( 4.496 0.000 -7.177) 8.469 8.277 ( 3.178 0.000 -5.304) 6.184 8.340 ( 4.182 0.000 -2.640) 4.946 8.435 ( 1.942 0.000 9.471) 9.668 8.492 ( 3.809 0.000 -0.090) 3.810 8.495 ( -4.163 0.000 -3.356) 5.347 8.550 ( 1.401 0.000 -1.700) 2.203 8.703 ( -7.991 0.000 -4.839) 9.342 8.747 ( 2.751 0.000 1.510) 3.138 8.859 ( -1.304 0.000 -0.661) 1.462 8.861 ( -2.029 0.000 -2.142) 2.951 8.940 ( -5.291 0.000 -0.200) 5.295 8.963 ( -1.054 0.000 -1.627) 1.938 8.983 ( 3.839 0.000 4.472) 5.894 9.006 ( 0.566 0.000 2.346) 2.414 9.014 ( 1.822 0.000 6.164) 6.428 9.062 ( 2.560 0.000 -6.497) 6.983 9.157 ( 4.264 0.000 2.444) 4.915 9.216 ( -0.965 0.000 -9.583) 9.631 9.260 ( -1.603 0.000 2.020) 2.579 9.314 ( -0.928 0.000 -2.365) 2.541 9.503 ( -3.903 0.000 2.677) 4.733 9.525 ( -6.363 0.000 5.749) 8.575 9.691 ( 4.584 0.000 0.211) 4.589 9.711 ( 1.975 0.000 -0.195) 1.984 9.762 ( 0.913 0.000 2.727) 2.876 9.774 ( 1.457 0.000 -3.873) 4.138 9.807 ( -5.567 0.000 -1.363) 5.732 9.896 ( -1.772 0.000 1.211) 2.147 9.997 ( -4.574 0.000 3.917) 6.021 10.068 ( 0.853 0.000 -1.046) 1.349 10.147 ( 2.740 0.000 3.281) 4.275 10.220 ( 1.680 0.000 -3.227) 3.638 10.599 ( 4.561 0.000 4.508) 6.413 10.602 ( -2.141 0.000 -4.285) 4.790 10.728 ( -6.829 0.000 1.454) 6.982 10.873 ( 5.799 0.000 -1.199) 5.921 11.190 ( 3.071 0.000 2.892) 4.219 11.210 ( 1.054 0.000 -1.931) 2.200 11.417 ( -2.697 0.000 1.629) 3.151 11.451 ( 0.836 0.000 1.735) 1.926 11.700 ( -0.368 0.000 1.728) 1.767 11.734 ( 0.317 0.000 -1.918) 1.944 11.795 ( -1.741 0.000 -0.282) 1.763 11.814 ( 0.514 0.000 1.275) 1.375 12.008 ( -2.684 0.000 1.263) 2.967 12.054 ( 0.333 0.000 -2.081) 2.107 12.100 ( 2.754 0.000 5.254) 5.932 12.180 ( 2.828 0.000 -3.642) 4.612 12.189 ( -3.805 0.000 6.227) 7.297 12.260 ( 0.645 0.000 3.178) 3.243 12.268 ( -0.119 0.000 -1.816) 1.820 12.312 ( 0.702 0.000 1.507) 1.662 12.340 ( -2.429 0.000 -0.320) 2.450 12.458 ( 4.351 0.000 -5.411) 6.943 12.489 ( -1.449 0.000 0.662) 1.593 12.509 ( -0.226 0.000 -1.889) 1.902 12.653 ( -2.342 0.000 2.686) 3.564 12.662 ( -1.356 0.000 -2.709) 3.029 12.726 ( 3.369 0.000 0.082) 3.370 12.761 ( 2.447 0.000 -1.310) 2.776 12.827 ( -0.882 0.000 6.140) 6.203 12.911 ( 0.430 0.000 4.979) 4.997 12.944 ( 0.793 0.000 0.899) 1.199 12.968 ( 0.827 0.000 -4.812) 4.883 13.068 ( 0.469 0.000 -2.281) 2.329 13.084 ( 0.908 0.000 -0.958) 1.320 13.144 ( -1.759 0.000 -1.676) 2.430 13.161 ( -2.025 0.000 -3.078) 3.684 13.236 ( -3.467 0.000 2.680) 4.382 13.297 ( 0.015 0.000 -0.015) 0.021 13.386 ( 1.579 0.000 5.251) 5.483 13.419 ( -1.244 0.000 5.098) 5.247 13.550 ( 0.292 0.000 -8.379) 8.384 13.589 ( 4.761 0.000 -0.883) 4.842 13.686 ( -0.117 0.000 1.784) 1.788 13.702 ( -1.133 0.000 -1.968) 2.271 13.775 ( -3.700 0.000 4.731) 6.006 13.852 ( 3.178 0.000 1.114) 3.367 13.863 ( -2.531 0.000 -5.057) 5.656 13.908 ( 4.172 0.000 0.472) 4.199 13.970 ( -3.975 0.000 1.484) 4.243 14.011 ( -5.697 0.000 0.781) 5.750 14.084 ( 3.203 0.000 -2.120) 3.841 14.103 ( 1.541 0.000 -0.192) 1.553 14.165 ( 2.807 0.000 1.676) 3.269 14.214 ( 3.229 0.000 -4.491) 5.532 14.363 ( -1.895 0.000 6.555) 6.823 14.470 ( 0.330 0.000 -3.657) 3.672 14.531 ( 2.420 0.000 3.817) 4.519 14.592 ( -1.461 0.000 2.597) 2.980 14.613 ( 1.861 0.000 -5.934) 6.219 14.664 ( 0.829 0.000 -5.905) 5.963 14.763 ( -4.960 0.000 7.640) 9.109 14.946 ( 2.401 0.000 -4.439) 5.046 15.180 ( -0.514 0.000 0.151) 0.536 15.191 ( 0.627 0.000 -1.873) 1.975 15.281 ( 1.519 0.000 7.632) 7.782 15.370 ( 0.099 0.000 -5.166) 5.167 15.552 ( -2.549 0.000 7.689) 8.100 15.642 ( -0.218 0.000 -1.103) 1.125 15.763 ( -2.034 0.000 -1.228) 2.376 15.872 ( 3.671 0.000 -7.055) 7.953 16.181 ( 0.391 0.000 11.418) 11.425 16.248 ( -1.154 0.000 -4.425) 4.573 16.329 ( -2.641 0.000 0.801) 2.759 16.455 ( 0.243 0.000 -8.332) 8.336 16.603 ( 1.773 0.000 6.603) 6.837 16.717 ( 2.234 0.000 -5.079) 5.549 16.860 ( -4.457 0.000 -1.379) 4.665 16.938 ( 3.785 0.000 0.849) 3.879 17.120 ( 0.992 0.000 2.552) 2.738 17.152 ( -0.585 0.000 -3.965) 4.008 17.257 ( -0.446 0.000 -0.451) 0.634 17.286 ( 2.966 0.000 1.215) 3.205 17.460 ( -1.676 0.000 7.428) 7.614 17.662 ( 5.660 0.000 -1.249) 5.796 17.663 ( 0.720 0.000 2.885) 2.974 17.710 ( 2.014 0.000 -5.259) 5.631 17.812 ( -7.679 0.000 -1.036) 7.748 17.821 ( 0.477 0.000 3.052) 3.089 17.985 ( -4.886 0.000 0.938) 4.975 18.068 ( 2.429 0.000 0.944) 2.606 18.097 ( -2.560 0.000 4.126) 4.856 18.210 ( 3.932 0.000 -4.967) 6.335 18.284 ( -6.984 0.000 0.649) 7.015 18.448 ( 6.931 0.000 -2.457) 7.354 18.488 ( -3.632 0.000 2.470) 4.393 18.568 ( -0.409 0.000 -4.932) 4.949 18.604 ( 0.030 0.000 5.557) 5.557 18.713 ( 3.154 0.000 -4.507) 5.501 18.849 ( 3.875 0.000 1.771) 4.260 18.874 ( 0.297 0.000 -5.311) 5.320 19.265 ( -3.484 0.000 7.280) 8.071 19.386 ( -2.074 0.000 -5.662) 6.030 19.881 ( 0.158 0.000 13.027) 13.028 20.088 ( 5.832 0.000 -6.877) 9.017 20.455 ( -5.266 0.000 5.512) 7.623 20.648 ( 2.734 0.000 -7.873) 8.334 21.385 ( 0.312 0.000 6.987) 6.994 21.491 ( 0.851 0.000 -5.238) 5.307 22.602 ( -2.721 0.000 2.967) 4.026 22.715 ( 6.199 0.000 -1.082) 6.292 ======================= Grid point 54 (29/39) ======================= q-point: (-0.20 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 39 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.366 ( -7.945 0.000 27.882) 28.992 1.410 ( -16.330 0.000 18.374) 24.582 1.853 ( -7.322 0.000 1.059) 7.398 1.871 ( -4.602 0.000 -2.029) 5.029 1.944 ( -1.349 0.000 -5.370) 5.536 1.952 ( -0.740 0.000 20.574) 20.587 2.280 ( -10.050 0.000 4.746) 11.114 2.300 ( 3.877 0.000 -11.519) 12.154 2.458 ( -1.861 0.000 -12.130) 12.272 2.571 ( 1.403 0.000 -11.263) 11.350 2.636 ( -4.268 0.000 1.437) 4.503 2.700 ( -8.028 0.000 -1.363) 8.143 2.776 ( -0.709 0.000 -5.330) 5.376 2.912 ( 7.257 0.000 4.880) 8.745 3.103 ( -14.989 0.000 24.321) 28.569 3.191 ( 2.275 0.000 4.295) 4.860 3.236 ( -3.629 0.000 -1.752) 4.030 3.352 ( 6.932 0.000 2.920) 7.522 3.404 ( 4.101 0.000 3.760) 5.564 3.468 ( 3.139 0.000 -5.383) 6.231 3.557 ( 2.972 0.000 3.494) 4.587 3.744 ( 11.974 0.000 -0.898) 12.008 3.782 ( 9.840 0.000 -5.821) 11.432 3.795 ( 3.008 0.000 -3.704) 4.771 3.806 ( -2.720 0.000 -1.271) 3.002 3.877 ( 5.640 0.000 -8.290) 10.027 3.923 ( -4.401 0.000 -6.403) 7.769 3.959 ( -6.834 0.000 -1.695) 7.041 4.028 ( 3.788 0.000 5.634) 6.789 4.136 ( 4.919 0.000 6.795) 8.388 4.208 ( -5.135 0.000 -1.201) 5.273 4.296 ( -11.334 0.000 -2.509) 11.608 4.380 ( 3.989 0.000 -0.538) 4.026 4.445 ( -10.022 0.000 4.552) 11.007 4.472 ( -0.774 0.000 -2.549) 2.664 4.493 ( -5.014 0.000 4.897) 7.009 4.599 ( -0.531 0.000 -5.755) 5.780 4.671 ( 1.722 0.000 -2.622) 3.137 4.791 ( -0.040 0.000 0.676) 0.677 5.009 ( -3.558 0.000 -8.715) 9.413 5.074 ( 4.189 0.000 -3.842) 5.684 5.182 ( 1.977 0.000 -1.422) 2.435 5.348 ( 8.608 0.000 0.564) 8.626 5.380 ( -8.353 0.000 2.616) 8.753 5.419 ( 7.899 0.000 -1.472) 8.035 5.605 ( 14.804 0.000 -5.416) 15.763 5.610 ( 5.999 0.000 0.127) 6.000 5.656 ( -2.162 0.000 0.207) 2.172 5.770 ( 2.864 0.000 -3.523) 4.540 5.833 ( -0.679 0.000 0.162) 0.698 5.969 ( 1.300 0.000 5.394) 5.548 6.094 ( 0.358 0.000 -0.724) 0.808 6.194 ( 1.755 0.000 1.842) 2.544 6.250 ( 0.007 0.000 6.774) 6.774 6.258 ( -0.264 0.000 -0.433) 0.507 6.331 ( -0.703 0.000 0.270) 0.753 6.332 ( 0.081 0.000 10.887) 10.887 6.401 ( -5.065 0.000 5.458) 7.446 6.412 ( 2.723 0.000 1.134) 2.950 6.484 ( -4.028 0.000 0.570) 4.068 6.530 ( 0.178 0.000 -7.305) 7.308 6.558 ( 1.799 0.000 -0.744) 1.947 6.568 ( 0.755 0.000 -6.330) 6.375 6.615 ( 3.988 0.000 -3.930) 5.599 6.773 ( 4.488 0.000 1.852) 4.855 6.790 ( 2.750 0.000 -0.720) 2.842 6.813 ( 3.398 0.000 1.940) 3.913 6.842 ( 2.119 0.000 2.887) 3.581 6.919 ( -9.095 0.000 0.910) 9.140 6.925 ( 2.890 0.000 0.772) 2.991 6.928 ( 1.817 0.000 8.098) 8.299 7.099 ( -1.298 0.000 3.554) 3.784 7.154 ( 2.993 0.000 -5.528) 6.286 7.172 ( 5.941 0.000 3.736) 7.018 7.242 ( -0.805 0.000 4.134) 4.211 7.289 ( -3.212 0.000 -1.473) 3.533 7.294 ( -0.193 0.000 3.396) 3.402 7.358 ( 2.920 0.000 0.978) 3.079 7.384 ( -1.020 0.000 0.461) 1.120 7.430 ( -3.258 0.000 2.672) 4.214 7.458 ( -2.907 0.000 -0.774) 3.008 7.485 ( -0.509 0.000 -0.744) 0.902 7.615 ( -6.213 0.000 -1.595) 6.415 7.665 ( 0.714 0.000 -3.328) 3.403 7.733 ( -2.913 0.000 -1.372) 3.220 7.752 ( -3.344 0.000 5.005) 6.019 7.786 ( -2.542 0.000 -3.147) 4.045 7.848 ( 1.693 0.000 -2.737) 3.219 7.900 ( 1.806 0.000 -1.726) 2.498 7.969 ( 1.121 0.000 2.629) 2.858 7.996 ( 4.071 0.000 5.931) 7.193 8.003 ( 0.390 0.000 -4.468) 4.485 8.074 ( 2.424 0.000 -1.086) 2.656 8.077 ( 2.049 0.000 -5.547) 5.913 8.089 ( -2.326 0.000 0.658) 2.418 8.186 ( 4.441 0.000 -0.218) 4.446 8.190 ( -0.916 0.000 4.890) 4.975 8.264 ( 0.974 0.000 -5.853) 5.934 8.308 ( 1.012 0.000 -3.427) 3.573 8.393 ( 4.167 0.000 -2.525) 4.872 8.401 ( -3.159 0.000 -2.092) 3.789 8.481 ( -1.778 0.000 6.332) 6.577 8.506 ( -3.028 0.000 -7.621) 8.201 8.550 ( -0.281 0.000 -4.372) 4.381 8.639 ( 5.948 0.000 -1.737) 6.196 8.741 ( -4.257 0.000 -2.110) 4.751 8.819 ( -2.255 0.000 -0.573) 2.326 8.834 ( -0.462 0.000 -1.407) 1.481 8.851 ( -2.724 0.000 2.160) 3.476 8.909 ( -0.322 0.000 1.023) 1.072 8.922 ( -5.030 0.000 -2.309) 5.535 9.074 ( 3.665 0.000 1.231) 3.866 9.106 ( 4.414 0.000 7.519) 8.719 9.107 ( 2.298 0.000 -6.802) 7.180 9.166 ( -3.732 0.000 3.175) 4.900 9.218 ( 4.022 0.000 -2.434) 4.701 9.296 ( 3.316 0.000 2.694) 4.272 9.334 ( 2.933 0.000 -2.409) 3.796 9.399 ( -8.730 0.000 3.725) 9.492 9.451 ( -2.378 0.000 -0.296) 2.396 9.591 ( -11.668 0.000 4.551) 12.524 9.673 ( -6.325 0.000 -2.255) 6.715 9.742 ( 0.150 0.000 -5.041) 5.043 9.760 ( -0.175 0.000 -1.802) 1.810 9.854 ( -4.158 0.000 1.651) 4.474 9.855 ( 6.322 0.000 -4.692) 7.873 10.019 ( 4.013 0.000 8.605) 9.494 10.108 ( 2.511 0.000 2.299) 3.405 10.201 ( 1.186 0.000 1.314) 1.770 10.229 ( 0.944 0.000 -3.084) 3.225 10.556 ( -1.175 0.000 -2.656) 2.904 10.608 ( -6.036 0.000 0.546) 6.060 10.720 ( 5.196 0.000 5.270) 7.400 10.936 ( 1.743 0.000 -2.439) 2.998 11.255 ( 4.628 0.000 -2.910) 5.467 11.278 ( 4.317 0.000 2.485) 4.982 11.367 ( -3.370 0.000 1.622) 3.740 11.458 ( -1.108 0.000 0.726) 1.325 11.698 ( -1.202 0.000 2.919) 3.157 11.727 ( -0.379 0.000 -1.221) 1.279 11.782 ( 0.979 0.000 -1.569) 1.850 11.803 ( -2.005 0.000 1.050) 2.263 11.972 ( -1.511 0.000 1.617) 2.213 12.024 ( -1.209 0.000 -3.073) 3.302 12.126 ( -2.607 0.000 4.815) 5.476 12.216 ( 3.799 0.000 5.490) 6.676 12.228 ( 2.847 0.000 -5.189) 5.919 12.270 ( 0.866 0.000 -0.826) 1.197 12.280 ( -0.383 0.000 1.863) 1.902 12.350 ( 2.981 0.000 1.968) 3.572 12.370 ( 4.534 0.000 2.656) 5.255 12.445 ( -3.249 0.000 1.629) 3.634 12.481 ( 0.382 0.000 -3.319) 3.341 12.501 ( 0.943 0.000 -4.243) 4.347 12.599 ( -3.249 0.000 -3.967) 5.128 12.599 ( -4.391 0.000 2.450) 5.028 12.787 ( 1.445 0.000 -2.081) 2.533 12.794 ( 3.031 0.000 0.791) 3.133 12.871 ( 1.875 0.000 4.494) 4.869 12.928 ( -2.503 0.000 1.509) 2.923 12.954 ( 1.375 0.000 -1.447) 1.996 12.981 ( 3.249 0.000 -0.836) 3.354 13.051 ( -3.532 0.000 -0.998) 3.670 13.055 ( -0.933 0.000 -1.725) 1.962 13.097 ( -3.001 0.000 -0.813) 3.109 13.117 ( -0.371 0.000 -1.110) 1.170 13.210 ( 0.653 0.000 0.827) 1.054 13.299 ( 0.047 0.000 0.686) 0.688 13.401 ( -3.395 0.000 3.679) 5.006 13.423 ( -0.060 0.000 2.136) 2.137 13.565 ( 4.720 0.000 -6.862) 8.329 13.645 ( 0.512 0.000 -2.625) 2.674 13.684 ( -1.762 0.000 5.617) 5.887 13.694 ( 0.855 0.000 -0.863) 1.215 13.751 ( -1.132 0.000 3.833) 3.997 13.808 ( 0.067 0.000 -2.983) 2.984 13.885 ( -0.010 0.000 -0.883) 0.883 13.910 ( -2.438 0.000 0.319) 2.459 13.947 ( -0.632 0.000 1.442) 1.575 14.012 ( 6.372 0.000 -1.273) 6.498 14.115 ( -0.039 0.000 -0.513) 0.515 14.133 ( 2.479 0.000 -0.225) 2.489 14.224 ( 1.973 0.000 -0.556) 2.049 14.230 ( -0.360 0.000 -1.912) 1.945 14.387 ( 0.620 0.000 5.899) 5.931 14.455 ( 0.304 0.000 -1.351) 1.384 14.537 ( -2.671 0.000 3.439) 4.354 14.585 ( -1.351 0.000 0.848) 1.595 14.621 ( 2.572 0.000 -8.977) 9.338 14.652 ( 0.783 0.000 -5.610) 5.664 14.744 ( 0.054 0.000 6.858) 6.858 14.925 ( -2.274 0.000 -2.604) 3.457 15.181 ( -1.043 0.000 1.792) 2.074 15.210 ( 2.412 0.000 -3.892) 4.579 15.345 ( 1.746 0.000 8.364) 8.544 15.383 ( 3.741 0.000 -3.618) 5.204 15.517 ( -4.320 0.000 4.551) 6.275 15.630 ( -0.816 0.000 -1.482) 1.692 15.741 ( 0.218 0.000 0.660) 0.695 15.880 ( 1.015 0.000 -7.279) 7.349 16.150 ( -7.988 0.000 11.285) 13.826 16.231 ( 2.594 0.000 -7.511) 7.947 16.342 ( 2.377 0.000 -0.425) 2.415 16.403 ( -1.713 0.000 -4.986) 5.272 16.680 ( 2.921 0.000 4.431) 5.307 16.750 ( 1.282 0.000 -0.175) 1.294 16.805 ( 0.936 0.000 -3.699) 3.815 16.954 ( -2.722 0.000 0.613) 2.790 17.143 ( 1.543 0.000 -2.826) 3.220 17.145 ( 0.691 0.000 2.891) 2.972 17.310 ( 5.184 0.000 -0.667) 5.227 17.343 ( 1.595 0.000 2.019) 2.574 17.514 ( 2.390 0.000 6.996) 7.394 17.631 ( -4.357 0.000 1.658) 4.662 17.670 ( -2.989 0.000 -2.264) 3.749 17.746 ( 2.274 0.000 -2.309) 3.240 17.791 ( -3.018 0.000 0.188) 3.023 17.833 ( 11.025 0.000 -3.297) 11.507 17.911 ( -2.321 0.000 6.005) 6.438 18.011 ( -6.873 0.000 -6.349) 9.357 18.076 ( -3.143 0.000 7.650) 8.270 18.235 ( 0.429 0.000 0.565) 0.709 18.274 ( 4.689 0.000 -2.644) 5.383 18.457 ( -2.313 0.000 5.926) 6.361 18.471 ( -6.282 0.000 -3.219) 7.059 18.524 ( 2.228 0.000 -5.204) 5.661 18.643 ( 1.502 0.000 5.686) 5.880 18.758 ( 3.616 0.000 -4.905) 6.094 18.835 ( -1.813 0.000 -4.176) 4.552 18.958 ( 6.292 0.000 -1.540) 6.478 19.240 ( -2.366 0.000 6.824) 7.223 19.292 ( -4.849 0.000 -2.926) 5.664 20.058 ( 11.876 0.000 10.368) 15.765 20.191 ( 7.830 0.000 -6.665) 10.282 20.374 ( -6.136 0.000 7.133) 9.409 20.632 ( -1.350 0.000 -5.388) 5.554 21.432 ( 0.890 0.000 5.753) 5.822 21.501 ( 2.421 0.000 -3.758) 4.470 22.592 ( 0.348 0.000 3.379) 3.397 22.812 ( 4.264 0.000 -5.592) 7.032 ======================= Grid point 55 (30/39) ======================= q-point: ( 0.00 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.471 ( 1.072 9.645 18.171) 20.600 1.551 ( 4.566 7.818 23.077) 24.789 1.725 ( -4.066 1.537 -3.491) 5.575 1.824 ( -4.032 4.171 -4.843) 7.556 1.926 ( 2.152 -0.826 1.978) 3.037 2.176 ( -1.124 0.084 -6.428) 6.527 2.266 ( 3.359 2.176 2.952) 4.973 2.303 ( -0.827 2.096 0.828) 2.401 2.402 ( -1.363 2.412 -12.634) 12.935 2.500 ( -3.367 2.243 -8.176) 9.122 2.622 ( -3.292 7.299 8.000) 11.319 2.692 ( 1.526 3.449 -1.961) 4.251 2.901 ( 5.773 7.498 8.217) 12.533 2.970 ( -6.337 -3.952 0.715) 7.503 3.024 ( 1.593 -1.882 2.465) 3.487 3.052 ( 0.458 -4.004 -3.708) 5.477 3.295 ( -2.243 1.306 7.179) 7.634 3.365 ( -1.212 -3.699 1.106) 4.046 3.457 ( 4.365 0.189 2.007) 4.808 3.488 ( 0.605 1.422 2.633) 3.053 3.642 ( 1.227 2.585 3.304) 4.371 3.700 ( 3.014 -0.451 1.913) 3.599 3.734 ( -8.996 3.077 -2.255) 9.772 3.827 ( -5.141 1.791 0.331) 5.454 3.841 ( 4.945 -3.541 -5.028) 7.891 3.919 ( 0.102 -1.272 0.340) 1.321 3.984 ( -2.495 0.466 -2.897) 3.851 4.027 ( 4.237 -2.033 -7.736) 9.051 4.086 ( 5.565 3.129 -1.479) 6.553 4.108 ( -1.055 2.335 -2.062) 3.289 4.166 ( -3.870 0.800 9.580) 10.363 4.266 ( 4.187 3.853 -0.932) 5.766 4.314 ( 2.650 -1.451 -2.441) 3.884 4.338 ( -4.513 5.478 -6.279) 9.476 4.507 ( 3.279 2.447 7.086) 8.182 4.652 ( -0.898 1.012 -3.964) 4.189 4.670 ( 6.653 1.421 0.925) 6.866 4.748 ( 1.085 1.137 -5.200) 5.432 4.813 ( 0.386 2.518 1.424) 2.918 4.890 ( -2.502 2.523 -4.219) 5.516 5.035 ( -7.398 -4.532 2.353) 8.989 5.081 ( 4.350 -2.857 -1.877) 5.532 5.337 ( -0.706 -2.228 2.542) 3.453 5.397 ( -0.024 -2.564 -3.406) 4.263 5.518 ( 2.623 -2.782 1.613) 4.150 5.539 ( -4.258 -2.949 -1.329) 5.347 5.635 ( -0.911 4.820 7.352) 8.838 5.768 ( 1.883 4.795 -4.142) 6.610 5.834 ( -6.924 3.501 2.937) 8.296 5.917 ( 1.873 5.409 -5.807) 8.154 6.014 ( -0.475 -0.440 1.640) 1.763 6.046 ( 1.232 -4.643 -1.511) 5.035 6.151 ( -1.680 -3.376 3.030) 4.837 6.226 ( 2.802 -1.472 -2.515) 4.043 6.265 ( -2.088 -0.667 6.053) 6.437 6.302 ( -3.524 -0.788 4.597) 5.845 6.343 ( -0.677 -3.010 4.358) 5.340 6.373 ( 0.275 -3.420 3.315) 4.771 6.431 ( -0.682 -0.160 -0.452) 0.834 6.499 ( -1.903 0.671 -1.733) 2.660 6.518 ( 2.064 6.234 -0.298) 6.573 6.561 ( 1.760 -0.398 -4.202) 4.573 6.637 ( -1.843 -0.591 -0.248) 1.951 6.666 ( -1.259 2.017 -1.832) 3.002 6.723 ( -0.824 0.207 0.701) 1.101 6.781 ( 3.913 -0.536 -3.566) 5.321 6.872 ( -1.164 -0.593 2.947) 3.224 6.900 ( 1.714 -0.504 1.263) 2.188 6.933 ( -0.052 1.971 1.300) 2.362 6.950 ( 2.169 2.885 -0.271) 3.619 6.974 ( -2.682 -3.203 1.277) 4.368 7.024 ( 0.533 -5.998 -2.585) 6.553 7.143 ( 0.740 0.206 3.998) 4.071 7.164 ( -1.343 -3.734 1.732) 4.329 7.199 ( 2.189 -3.878 3.166) 5.465 7.235 ( -5.234 1.747 2.653) 6.123 7.315 ( 0.616 -1.612 -1.021) 2.005 7.364 ( -0.410 -1.453 -0.758) 1.690 7.396 ( 1.715 -1.091 2.701) 3.381 7.427 ( -0.157 2.160 -1.007) 2.389 7.467 ( 1.666 0.107 -4.136) 4.461 7.486 ( 2.364 -1.129 -3.772) 4.592 7.581 ( 1.643 -3.636 1.030) 4.121 7.598 ( -2.012 -0.637 -0.885) 2.289 7.692 ( -4.475 2.055 2.807) 5.668 7.736 ( 5.818 -0.413 0.641) 5.868 7.743 ( -0.731 0.173 2.264) 2.385 7.845 ( 0.041 -4.927 -3.693) 6.158 7.907 ( 2.019 -1.487 -0.490) 2.555 7.940 ( -1.950 -1.981 -4.251) 5.079 7.990 ( 4.441 1.799 1.361) 4.981 8.010 ( -1.450 -1.603 0.843) 2.320 8.053 ( -3.231 -0.466 1.406) 3.554 8.101 ( 2.905 -0.800 -2.471) 3.897 8.124 ( 0.377 -4.382 -3.394) 5.556 8.138 ( 3.005 1.307 -3.080) 4.497 8.155 ( -1.239 -2.478 2.763) 3.913 8.299 ( -1.606 0.192 -4.185) 4.487 8.309 ( 2.760 -0.431 0.051) 2.794 8.414 ( 1.086 -0.366 -3.015) 3.226 8.461 ( 1.476 4.463 0.089) 4.702 8.489 ( 1.583 1.766 0.468) 2.417 8.503 ( -2.191 2.473 0.235) 3.312 8.544 ( 0.719 2.731 -2.925) 4.066 8.603 ( -6.292 -1.448 -2.486) 6.919 8.623 ( 0.316 -2.344 -4.759) 5.314 8.761 ( -3.148 0.672 1.971) 3.774 8.825 ( 0.901 2.476 -3.913) 4.718 8.890 ( -1.391 0.683 4.380) 4.646 8.903 ( 0.813 1.960 2.074) 2.967 8.996 ( 4.858 -3.763 4.874) 7.843 9.062 ( -0.277 -5.495 2.863) 6.202 9.104 ( 3.018 -2.499 -1.420) 4.168 9.122 ( -3.708 -0.441 -2.069) 4.268 9.146 ( -0.551 -0.348 -3.140) 3.207 9.184 ( -0.991 -2.243 -1.576) 2.915 9.285 ( -1.424 1.216 4.908) 5.253 9.342 ( -0.052 -0.105 1.136) 1.142 9.412 ( 3.435 1.120 1.319) 3.846 9.454 ( 0.028 0.429 -1.388) 1.453 9.466 ( -1.076 0.248 0.158) 1.116 9.533 ( -0.063 -1.530 -4.720) 4.962 9.665 ( -1.452 -4.102 1.481) 4.597 9.682 ( 0.217 -4.439 0.017) 4.445 9.821 ( -1.126 0.143 2.882) 3.097 9.896 ( 1.596 -0.790 -3.905) 4.292 10.113 ( 1.577 -0.132 4.368) 4.645 10.170 ( 1.517 -0.687 -0.222) 1.680 10.204 ( -0.095 0.296 0.948) 0.998 10.221 ( -1.590 -0.040 -1.017) 1.888 10.593 ( -2.185 5.524 0.696) 5.981 10.616 ( 1.229 5.687 -1.332) 5.968 10.824 ( 2.387 -0.074 4.966) 5.510 10.906 ( -2.643 -0.998 -3.125) 4.212 11.279 ( -3.560 0.644 3.224) 4.846 11.335 ( 2.399 0.307 -1.627) 2.915 11.397 ( 2.424 0.262 1.288) 2.757 11.416 ( -2.077 0.367 -0.656) 2.209 11.684 ( -0.503 -0.742 2.044) 2.232 11.709 ( 0.683 -1.257 -0.367) 1.477 11.734 ( -1.083 -2.377 1.460) 2.992 11.773 ( 0.588 -1.976 -1.694) 2.668 11.989 ( -0.662 1.932 1.844) 2.752 12.026 ( -0.141 2.209 -2.047) 3.015 12.125 ( -2.652 1.599 5.633) 6.428 12.214 ( 0.091 -3.303 0.053) 3.305 12.237 ( 0.336 -1.294 -1.663) 2.134 12.249 ( 0.915 -1.822 -0.588) 2.122 12.315 ( 2.895 -1.271 2.861) 4.264 12.371 ( -1.468 -1.197 -0.744) 2.035 12.402 ( 0.592 -0.433 3.069) 3.155 12.459 ( -0.661 0.268 0.289) 0.770 12.491 ( 0.313 1.123 -2.184) 2.475 12.498 ( 0.586 -0.024 0.650) 0.875 12.525 ( 0.332 0.911 -2.726) 2.893 12.545 ( -0.135 -0.203 -2.609) 2.620 12.766 ( -2.223 -4.421 1.949) 5.318 12.786 ( 0.152 -2.821 0.093) 2.826 12.835 ( -0.137 -2.671 3.857) 4.693 12.873 ( -1.352 -4.802 0.499) 5.013 12.919 ( -1.016 -2.743 -0.502) 2.967 12.928 ( -0.422 -2.252 -1.653) 2.826 13.018 ( -0.244 1.522 -0.098) 1.544 13.039 ( 2.838 -0.666 -2.202) 3.654 13.081 ( -0.709 1.053 0.530) 1.376 13.102 ( 2.151 -0.307 -1.444) 2.609 13.234 ( 1.269 -1.376 1.286) 2.271 13.258 ( -0.854 -1.639 -0.543) 1.926 13.386 ( -2.324 2.972 4.463) 5.844 13.470 ( -1.001 3.524 -3.422) 5.013 13.575 ( -2.848 -1.895 2.555) 4.269 13.624 ( 5.112 -0.793 -2.634) 5.806 13.735 ( -0.695 1.827 1.934) 2.750 13.761 ( -0.751 1.999 2.283) 3.126 13.780 ( -0.638 -0.979 -1.584) 1.968 13.834 ( 1.334 -0.359 -2.827) 3.147 13.884 ( 0.222 6.418 2.407) 6.858 13.964 ( -0.999 7.011 -2.474) 7.502 14.002 ( 3.110 0.775 1.422) 3.507 14.062 ( -1.784 0.768 -3.566) 4.061 14.164 ( 2.985 3.589 1.523) 4.910 14.197 ( -0.965 2.190 -1.096) 2.632 14.227 ( -1.457 2.072 -0.035) 2.534 14.241 ( -0.400 4.368 -0.819) 4.462 14.396 ( 1.362 -0.446 6.024) 6.192 14.488 ( -4.026 -2.164 -1.173) 4.718 14.515 ( 1.161 -0.426 1.184) 1.712 14.547 ( -1.184 -1.383 -0.196) 1.831 14.592 ( -2.760 4.819 1.600) 5.779 14.688 ( 3.405 2.525 -4.155) 5.936 14.871 ( 0.974 4.102 0.249) 4.224 14.910 ( -0.055 3.483 -2.324) 4.187 15.086 ( -4.245 -4.493 3.725) 7.217 15.152 ( 0.281 -7.110 -1.868) 7.357 15.214 ( 0.295 -8.382 4.781) 9.654 15.309 ( 1.963 -7.477 -4.398) 8.894 15.474 ( 0.624 -4.900 5.450) 7.355 15.602 ( 0.347 -6.183 -4.274) 7.525 15.812 ( -1.467 4.802 2.594) 5.652 15.875 ( 1.274 1.806 -4.184) 4.732 16.102 ( -4.686 3.661 6.242) 8.621 16.262 ( 3.825 -0.618 -8.359) 9.214 16.393 ( 0.177 2.585 0.851) 2.727 16.437 ( 0.886 3.684 -2.556) 4.571 16.702 ( -2.110 -1.824 3.742) 4.667 16.725 ( 1.855 -2.839 0.561) 3.437 16.787 ( -3.067 -3.258 -1.968) 4.888 16.843 ( 2.642 -2.433 -5.056) 6.202 17.186 ( 0.573 1.435 2.753) 3.157 17.235 ( 2.180 2.508 -1.437) 3.621 17.346 ( -4.036 -0.101 0.817) 4.119 17.357 ( 1.740 0.354 -0.105) 1.779 17.528 ( 1.793 -2.770 3.310) 4.674 17.546 ( 2.626 -5.176 1.546) 6.006 17.624 ( -0.109 -3.305 -0.278) 3.319 17.710 ( -5.861 -0.258 -5.242) 7.868 17.728 ( -5.653 -1.418 3.879) 7.001 17.806 ( 8.388 -1.847 -2.310) 8.894 17.949 ( -4.605 1.337 4.720) 6.728 18.038 ( 4.760 -0.085 -3.668) 6.010 18.212 ( 1.658 6.915 4.020) 8.169 18.280 ( 2.223 2.330 -0.841) 3.328 18.357 ( -5.982 1.786 1.098) 6.339 18.373 ( 1.179 3.435 -1.643) 3.986 18.502 ( -1.303 5.437 0.530) 5.616 18.567 ( 2.497 3.603 -4.634) 6.379 18.689 ( -1.219 0.538 3.582) 3.822 18.758 ( 0.913 -1.082 -2.664) 3.017 18.870 ( 0.257 4.070 3.436) 5.332 18.988 ( -3.366 2.001 -6.496) 7.585 19.226 ( -0.866 -1.709 2.751) 3.352 19.254 ( 3.966 -1.444 -0.260) 4.229 20.165 ( -5.268 -0.742 5.057) 7.339 20.228 ( 0.880 -3.203 0.794) 3.415 20.481 ( 8.950 2.394 -1.693) 9.418 20.554 ( -1.730 -0.093 -6.503) 6.730 21.450 ( -1.141 0.198 3.592) 3.774 21.511 ( 1.056 -1.177 -2.342) 2.826 22.631 ( 1.352 -0.740 5.114) 5.342 22.712 ( -4.995 -3.493 -2.383) 6.545 ======================= Grid point 56 (31/39) ======================= q-point: ( 0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.669 ( 7.731 4.306 4.522) 9.938 1.695 ( 5.817 3.595 0.781) 6.883 1.753 ( 5.822 3.844 7.857) 10.507 1.825 ( 4.502 5.116 0.087) 6.815 2.060 ( 4.267 -1.080 8.277) 9.375 2.137 ( 4.493 1.632 -5.899) 7.593 2.243 ( -1.108 1.933 1.045) 2.461 2.300 ( 0.562 -3.314 0.058) 3.362 2.387 ( -3.115 3.314 -4.154) 6.160 2.421 ( 1.238 5.458 2.025) 5.952 2.660 ( 0.768 0.760 -3.284) 3.457 2.727 ( 4.683 4.780 -0.204) 6.695 2.796 ( -7.933 -0.358 -1.600) 8.100 2.988 ( -0.739 0.953 0.205) 1.223 3.129 ( 5.422 -3.690 2.534) 7.031 3.163 ( 11.991 0.595 3.516) 12.510 3.239 ( -6.181 -1.764 6.710) 9.292 3.307 ( -4.596 -3.539 0.695) 5.842 3.457 ( -7.050 1.364 -1.824) 7.408 3.485 ( -1.764 -3.690 -1.549) 4.373 3.593 ( -5.754 -3.255 -2.437) 7.046 3.618 ( -7.818 1.018 8.535) 11.619 3.666 ( 0.970 1.445 2.196) 2.803 3.753 ( -7.014 -3.464 -0.626) 7.847 3.851 ( -1.289 3.027 -2.138) 3.924 3.898 ( 4.527 3.959 1.812) 6.281 3.949 ( 2.947 2.336 -2.056) 4.286 4.040 ( 4.194 4.058 -13.061) 14.305 4.133 ( -1.700 2.941 4.919) 5.978 4.178 ( 4.733 1.837 -0.393) 5.092 4.221 ( 3.428 -1.407 -2.277) 4.349 4.313 ( 2.851 4.302 -0.765) 5.217 4.390 ( 2.686 3.279 1.885) 4.639 4.402 ( 6.803 0.739 1.719) 7.056 4.518 ( -7.639 3.636 -3.479) 9.148 4.586 ( 1.494 -0.499 -0.890) 1.809 4.661 ( -4.670 -0.159 -5.162) 6.963 4.706 ( 5.127 -0.434 -3.381) 6.157 4.860 ( 2.528 3.233 -1.485) 4.364 4.893 ( -0.475 0.754 -2.310) 2.476 4.992 ( 0.838 -0.740 5.560) 5.671 5.164 ( 1.707 4.370 4.139) 6.256 5.302 ( -2.620 -0.736 -1.392) 3.057 5.427 ( -6.498 -1.643 -2.556) 7.173 5.430 ( 4.012 -3.516 0.104) 5.336 5.486 ( -20.880 4.050 7.852) 22.672 5.531 ( -3.166 0.302 7.599) 8.238 5.703 ( -0.420 2.229 -1.474) 2.706 5.808 ( 2.623 3.911 -1.790) 5.038 5.889 ( -1.282 3.267 -2.292) 4.192 6.010 ( -0.967 -3.227 -1.479) 3.679 6.083 ( 3.627 1.127 -1.212) 3.987 6.139 ( -1.389 -4.623 2.969) 5.667 6.216 ( -3.140 -2.766 -0.221) 4.190 6.281 ( 0.497 -0.085 4.158) 4.188 6.299 ( -1.077 -0.486 7.569) 7.661 6.366 ( 3.016 -2.758 2.904) 5.013 6.410 ( 2.669 -3.257 -1.890) 4.615 6.434 ( -0.030 0.729 3.884) 3.952 6.458 ( -0.928 -0.955 1.605) 2.085 6.528 ( -1.541 2.274 0.760) 2.850 6.563 ( 1.467 5.607 -5.010) 7.662 6.575 ( -0.025 0.953 -0.840) 1.271 6.624 ( -5.913 -1.013 -0.136) 6.001 6.671 ( -5.322 4.803 -1.927) 7.423 6.805 ( -3.383 -0.238 0.868) 3.501 6.814 ( -4.257 -0.580 -0.770) 4.365 6.864 ( 3.663 -1.665 -1.313) 4.233 6.930 ( 0.443 -5.147 0.624) 5.203 6.950 ( 1.818 2.627 -0.201) 3.201 7.058 ( -1.868 1.733 -0.408) 2.580 7.063 ( 0.621 -0.431 -0.516) 0.915 7.124 ( -1.850 0.414 4.403) 4.794 7.161 ( 1.755 -3.145 0.366) 3.620 7.223 ( -1.628 -5.907 1.752) 6.373 7.276 ( 6.420 -4.633 1.995) 8.164 7.322 ( 0.358 -1.017 -0.605) 1.236 7.350 ( 0.811 1.377 2.552) 3.011 7.386 ( -2.811 -1.048 -3.012) 4.251 7.425 ( -0.078 -0.971 -1.206) 1.550 7.466 ( -0.172 -0.637 -0.103) 0.668 7.508 ( 1.758 1.890 -2.547) 3.627 7.586 ( 0.109 -1.876 2.574) 3.187 7.607 ( 0.547 0.932 -2.118) 2.377 7.675 ( 3.768 0.393 -0.392) 3.809 7.736 ( -2.071 -2.247 4.168) 5.168 7.811 ( 1.451 -2.260 -1.084) 2.896 7.873 ( -0.251 -2.315 -5.402) 5.883 7.887 ( 2.426 -1.765 -5.508) 6.272 7.916 ( -3.136 -1.488 1.711) 3.870 7.991 ( 2.230 -2.252 -3.003) 4.365 8.024 ( -1.030 -2.361 0.533) 2.630 8.057 ( -1.635 -2.133 -7.222) 7.706 8.080 ( 2.595 0.084 4.628) 5.307 8.131 ( 0.965 1.359 1.845) 2.487 8.159 ( -1.266 -1.258 -5.688) 5.962 8.192 ( 2.935 -2.137 -1.955) 4.123 8.257 ( -1.454 1.470 0.134) 2.072 8.343 ( 1.397 -1.162 1.866) 2.604 8.364 ( -3.215 1.719 -4.917) 6.121 8.424 ( -2.312 1.254 -1.046) 2.831 8.448 ( -2.339 1.828 -4.952) 5.774 8.481 ( -0.956 -0.520 -0.141) 1.098 8.569 ( 0.036 1.312 3.463) 3.703 8.602 ( 6.537 1.621 1.258) 6.852 8.648 ( 1.294 -0.579 0.741) 1.600 8.740 ( 0.622 -0.236 0.110) 0.674 8.851 ( 1.764 0.140 0.258) 1.788 8.887 ( 0.526 -0.937 1.455) 1.809 8.923 ( 0.247 1.764 0.516) 1.855 8.969 ( -5.558 -0.705 -3.924) 6.840 8.980 ( -2.800 -2.982 3.020) 5.084 9.081 ( -2.823 -0.572 -0.873) 3.010 9.112 ( -1.002 -1.357 2.777) 3.249 9.205 ( 3.596 -2.057 -1.441) 4.386 9.221 ( 3.620 -3.294 1.427) 5.098 9.273 ( -2.849 1.432 2.147) 3.844 9.366 ( 2.824 2.779 -0.665) 4.017 9.422 ( -0.298 -1.536 -3.141) 3.509 9.465 ( 3.068 -3.022 0.391) 4.324 9.536 ( 5.370 -0.579 1.934) 5.737 9.618 ( 7.267 -0.565 -0.694) 7.321 9.669 ( 0.711 -3.947 0.165) 4.014 9.711 ( 2.718 -2.562 1.206) 3.925 9.788 ( -3.367 0.728 1.074) 3.608 9.879 ( -1.193 -1.255 -3.003) 3.467 10.126 ( -1.388 0.062 1.854) 2.317 10.148 ( -1.710 -0.361 -4.073) 4.432 10.179 ( -2.284 0.933 1.143) 2.719 10.212 ( -0.697 0.023 1.414) 1.577 10.569 ( -0.770 4.952 1.956) 5.380 10.680 ( 5.245 4.992 -0.160) 7.243 10.814 ( -4.607 -0.662 -2.988) 5.531 10.873 ( -0.114 0.672 3.804) 3.865 11.212 ( -4.286 2.035 3.220) 5.733 11.326 ( -3.747 0.567 -1.627) 4.124 11.380 ( 0.381 -0.691 1.168) 1.409 11.441 ( 0.677 -0.796 0.910) 1.385 11.688 ( -0.105 -1.279 0.641) 1.435 11.723 ( 0.604 -1.713 -0.810) 1.988 11.729 ( 0.087 -1.284 2.028) 2.402 11.778 ( 0.805 -2.759 -0.914) 3.016 11.986 ( 0.514 1.043 1.106) 1.604 12.032 ( 0.231 3.416 0.403) 3.447 12.109 ( -2.119 1.506 5.893) 6.441 12.185 ( -1.723 -3.605 0.395) 4.015 12.238 ( 0.333 -0.775 -0.706) 1.100 12.271 ( 0.406 -1.781 -1.705) 2.499 12.324 ( -1.286 0.563 -2.509) 2.875 12.369 ( -0.108 0.065 1.629) 1.634 12.407 ( -0.183 -1.259 3.088) 3.340 12.457 ( -1.723 -0.680 -0.694) 1.978 12.467 ( 1.008 1.880 -3.343) 3.965 12.492 ( -0.512 3.019 -3.044) 4.318 12.532 ( 3.103 -0.255 0.306) 3.129 12.612 ( 5.044 -1.058 -0.016) 5.154 12.727 ( -2.800 -3.165 3.020) 5.194 12.784 ( -1.599 0.855 1.971) 2.678 12.833 ( -1.515 -3.843 2.892) 5.042 12.865 ( -0.138 -7.050 0.127) 7.053 12.889 ( -0.153 -1.240 -0.902) 1.541 12.913 ( -1.238 -0.712 1.456) 2.039 13.016 ( 0.041 -2.233 -1.187) 2.529 13.039 ( -1.028 0.820 -1.584) 2.059 13.105 ( 1.395 -1.625 -2.834) 3.552 13.141 ( 3.192 -1.234 -0.915) 3.543 13.234 ( 0.320 -0.123 -1.128) 1.179 13.258 ( -0.037 -1.963 0.627) 2.061 13.396 ( 0.118 1.489 6.376) 6.549 13.428 ( -3.648 1.061 2.609) 4.609 13.530 ( -0.716 1.094 -2.118) 2.489 13.686 ( 2.377 -0.309 -4.878) 5.435 13.721 ( -1.711 0.568 1.632) 2.432 13.741 ( -1.680 -0.459 3.290) 3.723 13.781 ( 0.801 2.299 -1.344) 2.781 13.843 ( 1.875 -1.207 -1.599) 2.744 13.920 ( -2.028 4.219 -2.935) 5.525 13.937 ( 2.745 7.194 3.144) 8.317 14.030 ( 0.123 3.710 -3.810) 5.319 14.060 ( 1.968 2.329 0.466) 3.084 14.122 ( -2.667 1.276 -1.905) 3.517 14.195 ( -1.968 4.000 2.327) 5.029 14.218 ( -0.742 2.959 -0.237) 3.059 14.261 ( 2.337 4.442 -0.380) 5.033 14.403 ( -3.353 -2.633 -1.251) 4.443 14.434 ( -0.451 1.194 5.605) 5.749 14.488 ( -1.225 -1.983 -0.083) 2.333 14.548 ( -2.943 3.293 4.600) 6.377 14.605 ( 3.689 -0.101 0.181) 3.695 14.729 ( 2.550 4.208 -5.272) 7.211 14.870 ( -0.723 1.976 2.479) 3.252 14.925 ( 1.986 4.312 -2.598) 5.412 15.060 ( 0.550 -4.001 2.341) 4.668 15.138 ( -1.003 -6.174 4.535) 7.726 15.257 ( 0.946 -4.622 -2.747) 5.459 15.355 ( 4.496 -10.309 -0.425) 11.255 15.476 ( -2.563 -5.184 3.268) 6.643 15.537 ( -3.686 -5.743 -5.771) 8.938 15.796 ( -1.166 2.628 1.722) 3.351 15.889 ( 1.701 3.497 -2.238) 4.487 16.087 ( -0.568 4.408 7.450) 8.675 16.310 ( 4.281 -3.092 -6.177) 8.127 16.386 ( -1.005 3.990 0.596) 4.157 16.454 ( 2.132 2.985 -3.614) 5.149 16.646 ( -5.303 -1.273 4.901) 7.332 16.730 ( -0.088 -1.299 -2.438) 2.764 16.784 ( 3.667 -1.966 -1.208) 4.332 16.891 ( 3.183 -4.516 -1.662) 5.770 17.152 ( -4.425 2.146 -1.250) 5.075 17.219 ( -3.014 -0.544 -1.379) 3.359 17.264 ( -8.365 -2.247 1.496) 8.790 17.329 ( -1.598 -1.774 -0.050) 2.388 17.514 ( -0.212 -5.191 -1.735) 5.478 17.561 ( -6.032 -3.332 4.110) 8.023 17.601 ( 1.280 -3.852 -4.467) 6.036 17.672 ( -0.318 -4.104 1.492) 4.378 17.730 ( 4.299 4.487 8.227) 10.310 17.883 ( 2.498 4.294 -0.451) 4.988 17.998 ( 7.383 3.223 -0.358) 8.063 18.077 ( 1.720 -0.485 -4.593) 4.929 18.213 ( -5.437 1.823 -1.477) 5.922 18.268 ( 2.044 6.921 3.455) 8.001 18.318 ( -1.267 2.471 -4.353) 5.163 18.435 ( 3.208 3.212 3.493) 5.728 18.487 ( 0.885 1.614 -0.554) 1.922 18.604 ( 2.634 3.099 -2.802) 4.938 18.658 ( -3.237 0.253 3.900) 5.075 18.746 ( -1.240 -0.873 -3.222) 3.561 18.862 ( -4.695 4.581 -1.386) 6.704 18.918 ( 1.307 3.334 3.764) 5.196 19.236 ( 0.759 -2.225 0.595) 2.424 19.336 ( 4.796 -2.170 -3.640) 6.400 20.042 ( -9.624 0.778 8.385) 12.788 20.168 ( -6.567 -2.373 -1.046) 7.060 20.526 ( 1.660 -0.661 -5.784) 6.053 20.569 ( 2.274 -0.015 -4.870) 5.374 21.425 ( -2.872 1.206 3.854) 4.955 21.520 ( 0.898 -0.891 -3.080) 3.330 22.612 ( -3.619 -1.141 0.876) 3.895 22.657 ( -1.670 -1.695 5.659) 6.139 ======================= Grid point 57 (32/39) ======================= q-point: (-0.60 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 0.914 1.185 0.169) 1.507 1.812 ( 1.314 2.779 -1.224) 3.309 1.869 ( 3.579 3.835 -1.200) 5.381 1.903 ( 3.707 2.353 3.616) 5.688 2.023 ( -5.149 7.603 5.775) 10.848 2.178 ( -8.399 3.044 -0.139) 8.935 2.233 ( 5.023 -0.811 -5.230) 7.296 2.390 ( 4.471 2.688 -4.992) 7.220 2.454 ( 4.211 2.778 6.342) 8.104 2.484 ( 6.851 2.969 18.990) 20.406 2.599 ( 0.107 1.263 -5.326) 5.475 2.762 ( 4.344 -3.521 -0.644) 5.629 2.861 ( 8.036 2.440 0.959) 8.453 2.959 ( 0.913 1.531 -8.602) 8.785 3.132 ( -5.728 -3.665 4.313) 8.052 3.155 ( -9.865 -0.134 -0.971) 9.914 3.278 ( 1.219 -0.128 -1.417) 1.873 3.283 ( -3.593 -4.567 1.053) 5.905 3.335 ( 4.331 -2.769 -4.525) 6.848 3.382 ( -10.180 -0.225 -4.726) 11.226 3.524 ( 5.476 -7.008 7.544) 11.662 3.593 ( -0.434 -4.861 3.255) 5.866 3.703 ( 1.286 -2.111 -3.455) 4.249 3.711 ( 1.309 -4.059 0.104) 4.266 3.813 ( -5.089 6.233 1.340) 8.158 3.929 ( -0.625 0.324 -1.924) 2.048 3.971 ( -2.713 0.146 3.984) 4.822 4.060 ( -0.637 -1.993 -10.535) 10.740 4.124 ( 3.149 1.606 -2.558) 4.364 4.171 ( -3.572 4.359 -5.525) 7.892 4.263 ( 2.566 0.137 7.137) 7.585 4.339 ( 0.871 1.932 0.672) 2.223 4.366 ( -4.970 2.404 1.538) 5.731 4.476 ( -8.374 -2.699 -0.459) 8.810 4.519 ( 4.894 1.256 5.993) 7.838 4.593 ( 7.783 6.443 6.492) 12.010 4.642 ( 2.352 -2.231 -0.063) 3.243 4.772 ( 1.560 3.502 -6.219) 7.305 4.824 ( -2.281 2.939 -0.659) 3.778 4.943 ( 6.154 3.313 -3.966) 8.036 5.031 ( -5.300 12.331 12.789) 18.540 5.161 ( -3.317 5.325 5.290) 8.206 5.196 ( 1.474 1.712 3.526) 4.188 5.241 ( -3.652 1.317 -2.103) 4.415 5.296 ( -3.610 1.646 0.218) 3.973 5.542 ( -1.332 2.199 -6.576) 7.061 5.571 ( 6.159 -4.610 -1.069) 7.767 5.674 ( -2.891 -0.797 -1.293) 3.266 5.837 ( 1.863 1.528 0.382) 2.439 5.871 ( 0.299 2.893 -0.133) 2.912 6.001 ( 0.535 -3.370 -2.441) 4.195 6.083 ( -1.016 0.275 -2.030) 2.287 6.090 ( -3.445 -1.774 4.436) 5.890 6.200 ( -0.791 0.398 0.999) 1.335 6.305 ( -1.270 -0.093 5.179) 5.333 6.329 ( 0.159 1.454 5.550) 5.739 6.393 ( -3.009 2.065 1.678) 4.017 6.446 ( 3.176 0.346 1.294) 3.447 6.455 ( -2.275 1.787 -4.578) 5.416 6.471 ( 0.849 0.218 2.326) 2.486 6.492 ( 0.792 -1.354 2.812) 3.220 6.542 ( -0.710 -2.222 -2.357) 3.316 6.564 ( 0.142 -3.131 0.335) 3.152 6.587 ( 2.139 3.506 0.402) 4.126 6.633 ( 1.786 5.759 -2.809) 6.652 6.733 ( -3.354 -1.194 0.755) 3.639 6.748 ( -1.234 0.894 -0.900) 1.770 6.842 ( -5.652 -5.056 -4.058) 8.601 6.913 ( -1.273 1.265 2.074) 2.743 7.006 ( 1.693 1.168 3.466) 4.031 7.035 ( 1.170 1.501 -2.101) 2.835 7.108 ( -1.347 1.048 -3.492) 3.887 7.119 ( 2.975 0.135 1.568) 3.365 7.157 ( -3.280 -1.584 -0.400) 3.664 7.205 ( 2.674 -2.643 2.267) 4.390 7.285 ( -1.991 -1.561 -0.128) 2.533 7.327 ( -1.405 1.280 1.857) 2.657 7.340 ( -1.859 1.137 1.421) 2.602 7.400 ( 3.493 -0.139 -1.658) 3.869 7.444 ( -2.249 -0.809 -0.327) 2.413 7.456 ( 1.135 -4.279 1.574) 4.699 7.551 ( 2.259 -3.129 4.769) 6.135 7.590 ( 0.954 -1.428 -2.440) 2.983 7.646 ( 0.915 -2.422 4.390) 5.096 7.708 ( 1.482 0.298 -0.559) 1.612 7.761 ( 0.353 -0.668 3.370) 3.454 7.802 ( -0.872 -1.329 -1.839) 2.431 7.836 ( 1.790 -2.643 -8.507) 9.086 7.868 ( 0.165 -3.725 -1.192) 3.915 7.897 ( -2.156 -1.493 -0.448) 2.661 7.956 ( -3.174 -1.693 -2.818) 4.570 8.000 ( -0.220 -1.452 -9.683) 9.794 8.028 ( 2.129 -2.706 -2.993) 4.562 8.063 ( -2.406 -2.663 -1.840) 4.033 8.134 ( -1.414 2.012 2.293) 3.363 8.182 ( 0.487 -1.152 1.816) 2.205 8.205 ( -0.741 0.519 -1.414) 1.679 8.228 ( 2.115 0.589 -4.186) 4.726 8.310 ( 1.411 -0.287 -3.404) 3.696 8.358 ( -4.980 4.257 -0.896) 6.612 8.381 ( 0.189 1.710 0.962) 1.971 8.449 ( 2.074 1.224 2.418) 3.413 8.494 ( 1.913 -4.112 0.139) 4.537 8.614 ( -1.548 1.637 -2.941) 3.705 8.618 ( 2.953 -1.530 4.083) 5.266 8.692 ( 0.478 -6.000 1.810) 6.285 8.774 ( 2.119 -2.480 -5.617) 6.496 8.862 ( -1.842 -3.132 -4.135) 5.504 8.887 ( 0.758 -1.621 1.582) 2.389 8.943 ( 2.969 -0.927 -1.027) 3.276 8.960 ( 1.093 0.195 7.944) 8.021 8.994 ( 3.386 3.334 3.717) 6.033 9.044 ( -0.995 1.440 1.834) 2.536 9.096 ( -0.231 1.808 1.146) 2.153 9.203 ( -2.783 4.654 -2.673) 6.046 9.243 ( 0.660 0.418 -2.778) 2.886 9.286 ( 1.500 -1.831 1.815) 2.983 9.374 ( -1.683 -1.260 -6.044) 6.399 9.426 ( 2.535 -3.166 1.408) 4.293 9.509 ( -1.975 -4.675 2.075) 5.483 9.615 ( 2.861 -0.881 0.782) 3.095 9.673 ( 0.335 -0.148 1.206) 1.261 9.708 ( 0.594 -3.041 0.744) 3.186 9.727 ( -0.493 -1.677 0.657) 1.867 9.808 ( 3.056 -3.743 0.640) 4.875 9.837 ( -0.441 -2.686 -2.749) 3.868 10.087 ( -2.225 1.795 -0.046) 2.859 10.106 ( -1.255 1.069 -2.835) 3.279 10.157 ( -2.081 1.600 3.912) 4.711 10.199 ( 0.341 -0.724 -0.946) 1.239 10.580 ( 0.783 4.126 3.323) 5.355 10.712 ( -3.940 1.441 -3.209) 5.282 10.793 ( 6.249 3.495 -0.383) 7.170 10.859 ( -3.297 2.353 2.697) 4.866 11.174 ( -1.234 1.895 3.318) 4.015 11.251 ( -2.667 1.103 -1.606) 3.303 11.399 ( 0.641 -1.864 2.491) 3.177 11.438 ( -1.198 -1.081 0.784) 1.794 11.686 ( -0.274 -1.031 0.759) 1.309 11.720 ( -0.002 -1.585 -1.546) 2.214 11.747 ( 0.355 -2.862 1.639) 3.317 11.787 ( 0.145 -3.124 -0.669) 3.198 12.018 ( 1.654 0.598 1.492) 2.307 12.038 ( 0.172 2.672 1.609) 3.124 12.099 ( -1.342 1.859 5.114) 5.604 12.177 ( 0.850 -1.619 -0.678) 1.951 12.229 ( -1.790 -0.406 1.522) 2.385 12.247 ( -0.707 -1.157 -2.239) 2.617 12.305 ( -0.658 1.326 -1.346) 2.001 12.338 ( -2.320 2.129 0.250) 3.158 12.399 ( -3.414 0.408 1.878) 3.918 12.436 ( 1.512 0.888 -2.228) 2.835 12.462 ( 1.497 -1.204 -3.727) 4.193 12.494 ( 0.421 -0.423 -1.578) 1.687 12.611 ( 4.606 -0.367 1.118) 4.754 12.698 ( -2.022 -0.683 3.056) 3.727 12.702 ( 3.380 -0.257 -0.274) 3.401 12.757 ( -0.837 3.113 2.029) 3.809 12.828 ( -1.356 -2.528 3.212) 4.307 12.856 ( -0.191 -3.982 1.256) 4.180 12.890 ( -1.674 -0.933 0.730) 2.051 12.910 ( 2.289 -5.323 -2.971) 6.512 12.996 ( -0.276 -4.206 -0.460) 4.240 13.023 ( -0.633 -0.008 -1.526) 1.652 13.103 ( 0.106 -2.125 -0.538) 2.195 13.184 ( 1.354 -3.360 -3.739) 5.206 13.243 ( 0.985 -2.065 -1.560) 2.769 13.248 ( -2.198 -2.795 2.046) 4.102 13.381 ( -0.641 0.829 5.288) 5.391 13.439 ( -0.322 1.255 6.356) 6.487 13.529 ( 1.668 0.784 -3.490) 3.947 13.657 ( -1.780 1.944 -5.486) 6.086 13.700 ( -1.463 0.494 2.603) 3.027 13.761 ( 1.875 -1.731 2.342) 3.464 13.779 ( -0.628 3.197 -1.590) 3.625 13.850 ( -0.071 1.519 -2.377) 2.822 13.899 ( 1.048 1.387 -0.961) 1.986 13.949 ( -3.340 7.405 0.775) 8.160 14.046 ( 3.476 1.312 -1.810) 4.133 14.088 ( 1.509 5.231 -0.093) 5.445 14.105 ( 0.783 1.173 -1.013) 1.736 14.169 ( -2.673 3.073 3.193) 5.175 14.179 ( -2.079 5.529 -0.791) 5.960 14.270 ( -0.076 4.741 -3.594) 5.950 14.362 ( -1.695 -0.367 2.286) 2.869 14.429 ( -0.036 -1.668 -3.035) 3.463 14.508 ( 1.326 4.060 5.712) 7.133 14.541 ( 0.002 -1.826 4.154) 4.537 14.656 ( 1.673 0.750 -0.044) 1.834 14.721 ( -0.085 4.235 -5.828) 7.205 14.872 ( -1.706 2.723 6.798) 7.519 14.967 ( 3.933 5.456 -4.234) 7.947 15.102 ( 2.870 -4.219 -0.281) 5.110 15.174 ( 1.453 -3.766 7.399) 8.429 15.208 ( -4.222 -3.377 -2.302) 5.877 15.408 ( -3.162 -1.850 -1.201) 3.855 15.427 ( -0.291 -7.881 -1.398) 8.010 15.478 ( 1.474 -12.936 -2.790) 13.315 15.795 ( -0.099 1.366 2.788) 3.106 15.902 ( 0.994 2.467 -3.476) 4.377 16.136 ( 1.727 3.907 7.233) 8.400 16.301 ( -2.136 -1.371 -3.886) 4.641 16.391 ( -0.167 3.075 2.423) 3.918 16.477 ( 2.425 1.594 -4.351) 5.230 16.604 ( -0.925 1.501 3.189) 3.644 16.721 ( 0.016 -1.338 -4.369) 4.570 16.840 ( 3.307 -0.120 -1.189) 3.516 16.927 ( -0.129 -3.679 -2.236) 4.307 17.052 ( -3.810 -0.711 2.707) 4.728 17.144 ( -3.016 -3.358 -1.586) 4.784 17.186 ( 1.532 -4.379 0.340) 4.651 17.280 ( -4.358 -2.165 0.222) 4.872 17.428 ( -7.808 -5.858 3.284) 10.298 17.465 ( -0.418 -7.835 -4.676) 9.134 17.690 ( 3.784 -0.518 1.374) 4.059 17.704 ( 3.588 0.586 0.550) 3.677 17.848 ( 2.607 6.749 6.063) 9.440 17.932 ( 0.430 3.232 -0.059) 3.261 18.060 ( 1.631 2.999 0.239) 3.422 18.090 ( -1.182 3.781 2.132) 4.499 18.168 ( 2.365 0.318 -3.736) 4.432 18.230 ( -2.625 3.977 -4.105) 6.290 18.353 ( 4.024 4.117 0.472) 5.777 18.408 ( -4.355 0.791 -2.097) 4.897 18.543 ( 2.159 2.761 2.098) 4.085 18.601 ( -2.839 0.532 4.762) 5.569 18.642 ( 0.670 2.730 -4.482) 5.290 18.686 ( -1.396 -0.524 -2.756) 3.134 18.840 ( 0.692 4.263 3.484) 5.549 18.952 ( 1.494 4.859 -1.379) 5.267 19.252 ( -0.390 -2.451 3.249) 4.088 19.378 ( 1.860 -3.012 -5.547) 6.580 19.922 ( -7.437 1.615 10.556) 13.013 20.064 ( -1.661 -0.966 -3.875) 4.325 20.500 ( -3.335 -1.241 1.615) 3.908 20.590 ( 3.967 -2.104 -9.161) 10.202 21.399 ( -1.901 2.333 5.240) 6.043 21.511 ( 0.154 -0.162 -4.303) 4.309 22.604 ( 1.483 -1.739 1.433) 2.697 22.629 ( -2.932 -1.716 3.447) 4.840 ======================= Grid point 58 (33/39) ======================= q-point: (-0.40 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( -14.678 7.556 11.642) 20.201 1.773 ( -13.083 7.198 7.166) 16.563 1.878 ( 2.098 0.101 -4.406) 4.881 1.944 ( 1.351 0.496 2.394) 2.793 2.019 ( -3.877 6.394 9.831) 12.351 2.056 ( -1.520 5.347 1.176) 5.682 2.298 ( 2.074 -0.991 -7.013) 7.380 2.408 ( 4.902 6.975 -10.257) 13.338 2.541 ( 0.158 -0.230 -1.459) 1.485 2.579 ( 3.553 -0.304 -2.372) 4.282 2.731 ( 4.408 0.279 10.174) 11.092 2.795 ( -11.900 4.273 -0.577) 12.657 2.836 ( 0.286 -3.220 1.469) 3.551 2.883 ( -3.259 2.280 -11.938) 12.584 3.122 ( 6.220 -2.030 -2.717) 7.085 3.176 ( 1.303 2.725 -0.236) 3.030 3.195 ( 2.252 -1.809 5.126) 5.884 3.279 ( 5.042 -1.291 0.873) 5.278 3.337 ( 1.506 -5.134 -4.350) 6.896 3.412 ( 5.586 -1.428 -4.003) 7.019 3.540 ( -14.505 -0.946 14.512) 20.540 3.585 ( -2.334 -10.374 3.083) 11.071 3.621 ( -2.926 -2.772 3.097) 5.083 3.755 ( 5.251 -1.555 -3.900) 6.723 3.815 ( -9.211 2.828 3.203) 10.153 3.843 ( 6.360 1.865 2.723) 7.165 3.917 ( 1.653 4.479 -3.764) 6.080 4.054 ( 1.899 -0.810 -3.972) 4.476 4.083 ( -0.497 3.394 -0.179) 3.435 4.139 ( -0.625 2.354 -1.634) 2.933 4.272 ( -1.341 2.885 5.875) 6.681 4.337 ( -6.473 -1.667 -1.510) 6.853 4.373 ( 0.904 0.536 2.149) 2.392 4.441 ( 5.983 -5.772 0.630) 8.337 4.537 ( -5.323 -1.057 6.401) 8.392 4.605 ( -5.721 -2.428 2.197) 6.591 4.650 ( -1.747 2.514 2.125) 3.727 4.785 ( -0.728 4.856 2.048) 5.320 4.851 ( 5.497 -2.559 -4.837) 7.756 4.912 ( -7.845 6.143 -7.559) 12.507 5.132 ( -0.535 -0.002 2.664) 2.717 5.174 ( 9.314 6.348 7.049) 13.295 5.269 ( 2.559 -1.127 0.825) 2.916 5.325 ( 12.763 2.118 -0.593) 12.951 5.359 ( 7.046 4.142 1.472) 8.305 5.410 ( -0.056 10.818 -12.428) 16.477 5.582 ( -2.752 0.846 -3.786) 4.756 5.654 ( 1.170 -2.330 0.682) 2.695 5.850 ( -2.840 2.057 -0.446) 3.534 5.875 ( 0.841 1.713 -0.536) 1.982 5.988 ( -4.533 0.425 -0.853) 4.632 6.028 ( 2.275 -0.562 1.901) 3.017 6.143 ( 1.598 -2.856 2.076) 3.875 6.186 ( 1.076 -0.152 0.498) 1.195 6.283 ( -2.312 1.377 8.280) 8.707 6.320 ( -2.163 2.602 4.024) 5.258 6.389 ( 0.053 0.774 2.348) 2.473 6.419 ( 0.272 -1.073 -0.950) 1.459 6.449 ( -2.664 1.528 -1.637) 3.480 6.533 ( -1.973 1.942 2.146) 3.503 6.533 ( 3.787 -0.412 0.186) 3.814 6.550 ( 2.476 1.338 -1.575) 3.225 6.558 ( 1.154 -1.428 -2.875) 3.412 6.591 ( 1.401 -1.671 -2.145) 3.059 6.650 ( -3.594 0.918 -2.550) 4.501 6.719 ( 2.383 -1.206 3.356) 4.289 6.757 ( 4.671 0.010 -1.772) 4.996 6.802 ( 3.734 -0.274 -1.921) 4.208 6.887 ( -3.212 1.637 4.353) 5.652 6.977 ( -4.289 1.635 -0.899) 4.677 7.058 ( 2.996 2.423 1.441) 4.114 7.088 ( -0.181 0.828 -0.434) 0.952 7.122 ( -0.152 -1.290 1.672) 2.117 7.134 ( -2.746 2.228 0.693) 3.603 7.226 ( -4.446 -3.520 0.504) 5.693 7.268 ( 1.119 -3.029 2.038) 3.818 7.310 ( -0.389 1.456 0.860) 1.735 7.360 ( 1.375 0.898 2.090) 2.658 7.386 ( -1.108 -0.553 -1.136) 1.681 7.428 ( -1.141 -0.144 0.991) 1.518 7.477 ( 0.689 -1.028 1.285) 1.784 7.574 ( 0.939 -4.337 -3.949) 5.940 7.627 ( -0.708 -5.999 1.967) 6.353 7.660 ( -0.903 -0.615 2.928) 3.125 7.693 ( -3.668 -1.992 1.605) 4.472 7.748 ( -0.611 0.216 0.607) 0.888 7.801 ( 0.186 -1.689 -0.037) 1.700 7.843 ( 1.009 -1.122 -0.328) 1.545 7.849 ( 2.071 -1.048 -8.843) 9.142 7.899 ( 1.100 -2.106 -0.533) 2.435 7.926 ( 1.375 -0.241 -1.861) 2.327 7.977 ( 2.981 -2.937 -6.378) 7.628 8.034 ( 0.259 -2.113 -3.282) 3.912 8.065 ( 3.236 -3.772 -2.772) 5.691 8.115 ( -1.228 1.517 3.401) 3.921 8.145 ( -4.176 -0.046 0.270) 4.185 8.191 ( -0.621 -0.598 3.334) 3.443 8.260 ( -0.462 0.421 -3.639) 3.692 8.280 ( 3.201 2.160 -4.891) 6.232 8.367 ( 3.294 2.013 -1.524) 4.150 8.429 ( 2.494 -0.336 4.901) 5.510 8.463 ( -0.987 -0.830 -2.359) 2.689 8.522 ( 0.900 0.416 0.934) 1.362 8.570 ( 0.252 0.467 -4.275) 4.308 8.646 ( -3.827 -2.701 1.587) 4.946 8.721 ( 3.557 -4.027 3.506) 6.416 8.755 ( -2.522 -6.383 -3.011) 7.494 8.814 ( 1.798 -1.974 -5.427) 6.048 8.891 ( -2.730 -3.098 2.559) 4.858 8.961 ( -0.994 -0.851 -2.757) 3.052 8.990 ( 0.253 1.622 3.975) 4.301 9.050 ( -1.415 3.065 1.965) 3.906 9.101 ( 4.602 4.804 1.374) 6.793 9.122 ( -1.668 2.736 -0.117) 3.207 9.172 ( 1.832 1.919 -2.063) 3.361 9.204 ( 0.433 0.566 -5.334) 5.381 9.289 ( -1.416 1.590 1.158) 2.423 9.313 ( -0.910 -0.532 -1.309) 1.681 9.435 ( -4.281 -3.836 0.916) 5.821 9.486 ( -0.729 -5.394 3.741) 6.605 9.613 ( 0.267 -2.675 -0.919) 2.841 9.692 ( -1.744 -2.840 3.361) 4.733 9.721 ( -3.948 -3.489 3.462) 6.305 9.730 ( -1.340 -3.806 -0.957) 4.147 9.781 ( 5.083 -1.152 -3.884) 6.500 9.865 ( -0.325 -2.782 -1.078) 3.001 10.038 ( -3.489 2.591 2.745) 5.141 10.088 ( -0.519 1.690 0.163) 1.776 10.151 ( 1.541 0.306 2.310) 2.794 10.224 ( 1.938 -0.008 -1.581) 2.501 10.638 ( 3.515 2.808 3.747) 5.855 10.644 ( -1.669 3.027 -3.039) 4.602 10.782 ( -5.560 4.341 0.943) 7.117 10.896 ( 4.495 1.733 -0.696) 4.868 11.197 ( 1.775 0.918 2.717) 3.373 11.233 ( 1.815 1.539 -1.162) 2.648 11.411 ( -2.093 -0.699 0.992) 2.419 11.426 ( 0.894 -1.973 2.117) 3.028 11.687 ( -0.153 -1.134 1.021) 1.534 11.718 ( 0.544 -1.094 -1.551) 1.974 11.750 ( -0.824 -3.653 1.890) 4.195 11.777 ( -0.561 -2.816 -0.669) 2.949 12.020 ( -2.058 1.125 1.628) 2.855 12.067 ( 1.807 1.310 0.598) 2.311 12.120 ( 0.766 0.890 1.837) 2.181 12.189 ( 1.546 0.574 -2.317) 2.844 12.198 ( -2.023 0.483 3.396) 3.982 12.248 ( -0.274 -2.044 -1.620) 2.623 12.272 ( -0.663 1.362 3.078) 3.431 12.321 ( -0.181 0.537 0.708) 0.907 12.356 ( -1.479 2.434 2.094) 3.535 12.464 ( 2.290 -0.365 -2.874) 3.693 12.476 ( -0.675 -0.090 -1.793) 1.918 12.481 ( 0.705 -2.336 -0.601) 2.513 12.636 ( -2.872 -0.588 -0.090) 2.933 12.673 ( -1.399 0.044 -0.748) 1.587 12.768 ( 4.498 1.039 1.626) 4.894 12.775 ( 1.244 0.324 -1.504) 1.979 12.808 ( -1.898 -0.527 2.583) 3.248 12.855 ( -1.005 -4.717 2.101) 5.261 12.875 ( 0.146 -3.654 -0.118) 3.658 12.952 ( 3.912 -2.443 -5.134) 6.902 12.985 ( -0.873 -3.009 1.207) 3.357 13.023 ( 0.818 -2.612 -1.430) 3.089 13.109 ( -0.254 -1.988 1.956) 2.801 13.138 ( -2.938 -3.404 -2.819) 5.307 13.205 ( -1.903 -1.894 2.144) 3.435 13.277 ( 1.367 -2.518 -0.626) 2.933 13.418 ( -0.033 0.207 5.478) 5.482 13.456 ( 1.212 2.132 1.336) 2.793 13.553 ( 0.969 1.266 -1.404) 2.124 13.598 ( -0.354 -0.045 -4.864) 4.877 13.693 ( -0.826 0.967 4.382) 4.563 13.764 ( 0.385 4.361 -2.102) 4.856 13.803 ( 0.480 -2.074 1.423) 2.560 13.839 ( -0.095 1.827 -2.128) 2.806 13.892 ( -1.011 5.591 -0.438) 5.698 13.927 ( 1.081 0.752 1.249) 1.815 14.053 ( -3.328 5.821 0.308) 6.712 14.080 ( -2.338 4.876 -0.486) 5.429 14.106 ( 1.288 1.505 -1.186) 2.309 14.160 ( 2.705 2.969 0.669) 4.072 14.202 ( 1.798 4.226 2.008) 5.012 14.251 ( 0.442 2.879 -3.898) 4.866 14.353 ( -0.569 1.543 2.999) 3.420 14.420 ( 0.683 -1.714 -2.672) 3.247 14.547 ( 0.619 0.872 2.799) 2.996 14.585 ( 2.273 -0.901 1.348) 2.792 14.669 ( -0.189 3.080 -0.211) 3.093 14.686 ( -0.846 3.374 -4.250) 5.492 14.858 ( -2.845 6.431 4.929) 8.587 14.993 ( 0.279 2.499 -3.739) 4.506 15.118 ( -2.481 -4.066 -2.040) 5.182 15.166 ( 2.489 -2.073 1.006) 3.392 15.238 ( 0.810 -4.485 8.276) 9.448 15.340 ( -1.222 -2.757 -6.369) 7.047 15.388 ( -2.788 -9.411 2.945) 10.248 15.524 ( 3.461 -10.729 -3.190) 11.716 15.813 ( 0.000 2.761 4.250) 5.068 15.892 ( 0.446 0.032 -5.702) 5.719 16.189 ( -0.708 1.572 5.755) 6.007 16.259 ( 0.466 1.155 -2.766) 3.033 16.377 ( -1.915 3.222 2.748) 4.648 16.487 ( 0.443 1.682 -4.641) 4.956 16.629 ( 1.716 2.376 2.377) 3.774 16.702 ( 1.166 -1.453 -4.425) 4.801 16.840 ( -4.046 -0.880 -0.646) 4.190 16.910 ( 1.931 -1.806 -0.896) 2.792 17.083 ( 2.665 -1.883 0.938) 3.395 17.127 ( 3.405 -3.166 -1.751) 4.968 17.211 ( -0.893 -3.461 -0.977) 3.705 17.264 ( 3.455 -0.841 0.946) 3.679 17.344 ( -1.722 -8.107 5.695) 10.056 17.503 ( 6.201 -7.428 -2.219) 9.927 17.692 ( -5.118 -0.304 1.048) 5.233 17.725 ( -2.043 -1.249 -1.253) 2.702 17.838 ( -3.662 3.362 5.565) 7.462 17.931 ( -0.967 3.465 1.901) 4.069 18.077 ( -2.351 6.393 -2.867) 7.390 18.110 ( 1.285 4.624 2.709) 5.511 18.161 ( -0.609 3.841 -2.391) 4.565 18.209 ( 2.858 -0.046 -4.868) 5.646 18.308 ( -4.186 2.954 2.954) 5.914 18.439 ( 3.711 1.326 -1.755) 4.314 18.545 ( -1.324 2.942 2.025) 3.809 18.601 ( -0.228 2.943 -0.574) 3.007 18.621 ( 0.364 1.311 0.494) 1.448 18.697 ( 2.782 -0.820 -3.006) 4.177 18.887 ( 2.492 3.578 3.434) 5.550 18.957 ( 0.853 6.075 -6.434) 8.889 19.242 ( -3.057 -2.277 6.783) 7.781 19.351 ( -1.874 -3.204 -5.150) 6.348 19.904 ( 0.748 2.195 11.524) 11.755 20.087 ( 5.866 -0.315 -5.067) 7.758 20.439 ( -4.408 -0.929 3.674) 5.813 20.614 ( 2.847 -3.005 -7.928) 8.944 21.406 ( -0.294 1.916 5.589) 5.916 21.497 ( 0.780 0.381 -3.992) 4.086 22.587 ( -2.097 -1.112 2.598) 3.519 22.675 ( 4.773 -3.183 -0.349) 5.748 ======================= Grid point 59 (34/39) ======================= q-point: (-0.20 0.20 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( -7.371 9.606 20.529) 23.834 1.541 ( -13.823 9.133 12.222) 20.588 1.825 ( -5.521 0.154 0.310) 5.532 1.942 ( -1.332 0.127 -4.569) 4.761 1.979 ( -6.285 5.535 -2.907) 8.865 2.096 ( 2.935 10.251 17.616) 20.591 2.257 ( -2.219 -1.313 -8.348) 8.737 2.343 ( -3.904 1.923 -2.184) 4.869 2.509 ( -0.844 2.699 -9.105) 9.534 2.596 ( -0.108 3.997 -12.765) 13.376 2.674 ( -2.846 3.446 4.368) 6.250 2.722 ( -5.418 1.590 -0.664) 5.685 2.796 ( 3.699 1.453 -8.864) 9.715 2.915 ( 4.149 -0.357 5.611) 6.987 3.089 ( -9.410 -1.813 9.209) 13.291 3.159 ( -2.706 -4.368 -2.289) 5.625 3.265 ( -2.155 1.900 7.930) 8.435 3.339 ( 4.680 -3.755 2.121) 6.364 3.386 ( 0.002 -2.355 5.667) 6.137 3.438 ( 3.239 2.880 -1.003) 4.449 3.558 ( 3.007 -4.342 -0.952) 5.367 3.602 ( 9.229 -0.774 8.181) 12.357 3.724 ( 4.237 0.708 -0.427) 4.317 3.775 ( 7.121 -4.951 -1.828) 8.863 3.827 ( 7.762 -0.115 -8.519) 11.526 3.915 ( 3.890 3.835 -1.350) 5.627 3.955 ( -2.872 -0.071 0.150) 2.877 3.982 ( -4.322 3.640 -6.197) 8.387 4.103 ( -0.482 3.642 5.150) 6.326 4.174 ( -4.819 2.693 1.849) 5.822 4.216 ( 5.354 -3.072 -2.421) 6.631 4.287 ( -4.677 -1.988 3.995) 6.464 4.359 ( -10.510 2.744 2.486) 11.143 4.430 ( 3.579 3.017 1.784) 5.010 4.487 ( -4.947 0.726 4.886) 6.991 4.588 ( -0.769 0.780 2.213) 2.470 4.632 ( 2.469 3.168 -7.143) 8.195 4.691 ( -2.852 3.249 -2.811) 5.157 4.796 ( -0.205 1.718 2.854) 3.337 4.937 ( 4.798 -3.215 -5.547) 8.008 5.098 ( -3.448 -2.351 -3.363) 5.360 5.197 ( -9.616 -1.103 2.815) 10.080 5.310 ( 4.441 0.750 -3.540) 5.728 5.393 ( 2.772 0.942 -0.611) 2.991 5.432 ( 1.640 -1.508 0.053) 2.228 5.545 ( 5.188 -1.005 0.905) 5.362 5.643 ( -2.026 0.505 2.636) 3.363 5.759 ( 18.812 6.240 -9.465) 21.964 5.804 ( -2.652 3.722 -1.333) 4.761 5.866 ( -0.464 3.197 0.681) 3.301 5.957 ( 2.256 -0.704 3.431) 4.167 6.062 ( -1.246 -1.367 0.538) 1.926 6.182 ( 2.267 -3.477 -0.410) 4.171 6.191 ( -0.798 -1.419 0.599) 1.734 6.292 ( -2.351 0.431 5.774) 6.249 6.305 ( -0.219 -0.988 4.723) 4.830 6.375 ( -5.158 0.232 0.495) 5.187 6.393 ( -2.592 -3.913 5.072) 6.910 6.421 ( 0.529 1.482 0.363) 1.615 6.502 ( -0.703 5.516 -0.465) 5.580 6.521 ( 0.276 2.435 -0.514) 2.504 6.562 ( 1.056 -1.643 -4.714) 5.103 6.588 ( 0.383 1.334 -4.033) 4.265 6.654 ( 7.071 2.554 -1.061) 7.593 6.677 ( 6.454 -2.783 -3.359) 7.790 6.778 ( 2.660 0.646 3.162) 4.182 6.830 ( -4.167 -2.583 1.876) 5.249 6.840 ( 1.745 -1.221 0.886) 2.306 6.891 ( 2.823 -0.016 0.709) 2.911 6.941 ( 2.089 1.396 0.881) 2.663 7.028 ( -5.352 4.879 0.665) 7.272 7.096 ( 1.238 -2.693 -2.421) 3.827 7.111 ( -1.391 0.595 5.719) 5.916 7.161 ( -1.036 -4.853 1.047) 5.071 7.197 ( 5.190 0.356 3.427) 6.229 7.269 ( -5.037 -5.133 0.459) 7.207 7.303 ( 1.208 -1.194 2.405) 2.944 7.344 ( -2.293 0.252 0.933) 2.488 7.386 ( -0.450 -0.160 -0.632) 0.792 7.418 ( 1.355 1.966 -0.221) 2.398 7.485 ( -0.331 -1.645 -2.218) 2.782 7.526 ( -6.194 3.659 -0.297) 7.200 7.568 ( -0.925 -1.395 0.049) 1.674 7.635 ( -0.611 -2.177 0.077) 2.263 7.674 ( 0.714 -4.838 -0.072) 4.891 7.745 ( -3.293 -0.820 0.865) 3.502 7.768 ( -2.707 0.155 0.542) 2.765 7.850 ( 5.426 -1.066 -4.238) 6.967 7.897 ( -2.098 -3.612 -3.693) 5.575 7.910 ( 3.411 -0.022 1.032) 3.564 7.985 ( 2.696 -1.308 -0.405) 3.024 8.011 ( -0.980 -1.839 -2.311) 3.112 8.028 ( 3.759 -1.276 -0.885) 4.067 8.093 ( -0.297 0.036 0.273) 0.405 8.100 ( 0.296 -2.238 -0.038) 2.257 8.132 ( 1.476 0.133 0.810) 1.689 8.183 ( -2.325 -0.775 3.010) 3.881 8.254 ( 0.893 -1.625 -0.691) 1.979 8.326 ( 3.484 1.845 -8.430) 9.306 8.407 ( 1.374 -0.334 -2.138) 2.563 8.419 ( 1.801 2.060 0.933) 2.891 8.462 ( -1.059 -1.306 0.633) 1.797 8.518 ( -1.100 0.272 -3.356) 3.542 8.577 ( -0.785 1.721 -0.267) 1.910 8.639 ( 2.757 -0.274 -4.271) 5.091 8.698 ( -1.630 -4.721 -2.654) 5.656 8.774 ( 2.325 1.510 -1.016) 2.953 8.836 ( -2.274 1.075 4.516) 5.170 8.861 ( 1.684 -3.660 3.292) 5.203 8.911 ( -1.740 1.821 -1.558) 2.962 8.961 ( -5.610 2.135 -2.487) 6.498 9.035 ( 0.187 -3.127 0.787) 3.230 9.067 ( 1.532 -1.196 0.769) 2.090 9.133 ( 1.336 1.343 -3.933) 4.365 9.189 ( -1.489 1.859 0.417) 2.418 9.234 ( -0.603 -0.110 0.853) 1.050 9.298 ( 0.426 -1.461 5.381) 5.592 9.339 ( 2.685 -1.419 -2.659) 4.037 9.347 ( -2.250 1.582 -0.308) 2.767 9.453 ( -2.083 -1.011 0.539) 2.378 9.569 ( -8.449 -1.789 2.970) 9.133 9.624 ( -3.623 -4.539 -3.075) 6.571 9.677 ( -0.639 -4.564 1.215) 4.766 9.712 ( -1.892 -2.929 -0.421) 3.513 9.832 ( -0.733 -1.112 -0.115) 1.337 9.856 ( 2.843 -0.744 -2.893) 4.124 10.037 ( 2.307 1.530 6.564) 7.124 10.121 ( 2.690 0.101 1.168) 2.934 10.192 ( 1.321 -0.262 0.863) 1.599 10.239 ( 0.312 0.178 -1.232) 1.284 10.609 ( -0.737 4.223 -2.079) 4.764 10.677 ( -4.991 5.575 -0.075) 7.483 10.738 ( 4.036 1.239 4.297) 6.024 10.939 ( 0.707 -0.105 -2.067) 2.187 11.255 ( 3.429 0.424 0.730) 3.531 11.296 ( 3.925 0.775 0.451) 4.026 11.374 ( -2.033 0.639 1.195) 2.443 11.442 ( -0.276 -1.190 0.827) 1.475 11.688 ( -0.600 -1.037 1.884) 2.233 11.711 ( -0.603 -1.074 -0.488) 1.325 11.745 ( -0.646 -3.346 0.972) 3.543 11.769 ( 0.406 -1.954 -1.195) 2.327 11.991 ( -1.183 1.503 1.220) 2.269 12.061 ( -1.499 2.810 -2.514) 4.057 12.141 ( -0.571 0.095 3.840) 3.884 12.184 ( 0.305 -0.874 2.280) 2.461 12.228 ( 1.443 -0.738 -2.271) 2.790 12.239 ( 1.612 -2.297 -0.228) 2.816 12.284 ( -0.548 0.066 1.396) 1.501 12.348 ( 1.479 -0.297 5.635) 5.834 12.373 ( 1.800 1.255 1.814) 2.847 12.443 ( -0.526 -0.213 -0.862) 1.032 12.490 ( 0.426 -0.672 0.121) 0.805 12.493 ( 1.204 0.323 -2.545) 2.834 12.572 ( -3.121 -1.217 -2.672) 4.285 12.605 ( -4.112 -0.018 -1.311) 4.316 12.779 ( 0.377 -1.365 -1.771) 2.268 12.795 ( -1.227 -3.308 1.654) 3.897 12.837 ( -1.036 -5.611 2.089) 6.076 12.854 ( 2.806 -0.242 0.599) 2.879 12.905 ( 3.090 -2.947 -1.841) 4.650 12.952 ( -0.808 -1.452 -1.758) 2.419 13.000 ( -0.800 -1.005 0.756) 1.491 13.037 ( 3.273 -2.850 -2.549) 5.033 13.067 ( -2.313 -1.827 0.501) 2.990 13.118 ( -1.277 1.256 0.959) 2.032 13.205 ( 0.673 -0.507 1.268) 1.523 13.270 ( -0.886 -1.729 0.435) 1.991 13.422 ( -2.772 1.750 4.464) 5.539 13.489 ( 1.534 2.079 -1.612) 3.046 13.545 ( 2.646 -0.585 -5.110) 5.784 13.603 ( -0.436 -2.446 1.955) 3.162 13.720 ( 0.968 2.416 3.590) 4.435 13.763 ( 0.132 3.099 -1.320) 3.371 13.797 ( -0.222 -0.757 -0.629) 1.008 13.831 ( -0.813 1.817 -0.349) 2.022 13.885 ( 0.397 4.389 -1.402) 4.625 13.944 ( 0.186 1.345 4.013) 4.237 14.005 ( -1.757 6.998 -1.784) 7.433 14.080 ( 3.364 5.333 -0.286) 6.311 14.114 ( -0.554 -1.147 -2.165) 2.512 14.196 ( 0.759 4.276 0.696) 4.398 14.234 ( 0.690 1.310 0.625) 1.607 14.257 ( 0.831 3.664 -0.842) 3.851 14.357 ( -0.192 -0.572 2.101) 2.186 14.447 ( 3.075 -1.015 0.490) 3.275 14.552 ( -1.013 -1.258 -1.312) 2.081 14.597 ( -1.508 -1.759 -0.304) 2.337 14.638 ( -3.228 7.798 2.219) 8.727 14.666 ( 0.824 1.088 -3.927) 4.158 14.841 ( 0.393 6.723 1.378) 6.874 14.952 ( -2.462 1.520 -2.050) 3.546 15.101 ( 1.511 -5.026 -2.213) 5.696 15.173 ( -2.710 -3.698 1.954) 4.984 15.241 ( -3.621 -8.695 5.268) 10.792 15.313 ( -0.123 -6.507 -3.278) 7.287 15.407 ( 3.508 -4.070 2.711) 6.019 15.573 ( 3.266 -8.203 -2.088) 9.073 15.825 ( -0.955 4.866 3.079) 5.837 15.876 ( 0.951 -0.559 -5.378) 5.490 16.167 ( -3.828 2.260 4.509) 6.332 16.256 ( 0.364 1.418 -4.466) 4.699 16.376 ( 0.830 2.487 0.831) 2.750 16.454 ( -0.969 3.217 -3.967) 5.198 16.674 ( 1.585 -0.690 2.696) 3.202 16.724 ( 1.380 -1.623 -1.112) 2.403 16.787 ( -0.161 -1.087 -2.683) 2.899 16.892 ( -2.610 -3.711 -2.040) 4.975 17.147 ( 2.849 0.661 -0.697) 3.006 17.177 ( 2.829 1.506 2.107) 3.835 17.299 ( 6.009 -0.711 -0.510) 6.072 17.307 ( 5.277 -3.171 1.559) 6.351 17.435 ( 5.758 -5.540 4.378) 9.111 17.551 ( -7.418 -3.354 0.966) 8.198 17.628 ( 6.253 -7.127 -1.132) 9.548 17.674 ( -1.704 -4.741 -0.067) 5.038 17.824 ( -2.075 2.833 4.323) 5.569 17.878 ( -6.732 2.876 2.950) 7.892 17.965 ( -2.965 5.452 -7.167) 9.481 18.055 ( -4.644 2.893 -0.131) 5.473 18.173 ( 1.042 5.063 2.170) 5.606 18.268 ( 0.463 1.310 -0.735) 1.572 18.310 ( 4.411 3.535 0.448) 5.670 18.464 ( -2.193 0.477 3.940) 4.535 18.516 ( -1.595 4.282 -4.110) 6.146 18.579 ( -0.686 4.632 -2.852) 5.482 18.656 ( 1.687 1.265 4.477) 4.949 18.738 ( 2.711 -1.043 -3.177) 4.305 18.900 ( -1.960 4.955 -4.919) 7.252 18.981 ( 4.636 2.143 -1.022) 5.209 19.224 ( -1.605 -1.726 5.397) 5.889 19.273 ( -4.099 -2.020 -1.682) 4.869 20.059 ( 9.132 0.390 8.458) 12.453 20.195 ( 6.507 -0.427 -3.921) 7.609 20.383 ( -2.210 1.464 3.865) 4.686 20.610 ( -0.189 -2.094 -5.658) 6.036 21.432 ( 0.477 0.487 4.053) 4.110 21.504 ( 1.251 -0.052 -2.405) 2.712 22.586 ( 0.704 -0.374 2.999) 3.103 22.749 ( 2.729 -4.804 -2.763) 6.177 ======================= Grid point 60 (35/39) ======================= q-point: ( 0.00 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.667 ( 1.913 6.840 5.502) 8.984 1.734 ( 1.878 1.148 -1.136) 2.477 1.806 ( -1.220 8.632 6.404) 10.817 1.882 ( -1.634 -0.079 -4.739) 5.013 1.947 ( -4.861 5.756 6.930) 10.237 2.171 ( -2.462 -6.172 1.651) 6.847 2.222 ( -1.281 -2.253 -9.834) 10.170 2.267 ( 0.295 -2.340 -6.575) 6.985 2.491 ( 0.957 5.492 2.154) 5.976 2.549 ( -1.459 0.972 -1.380) 2.231 2.728 ( -4.008 1.397 -0.886) 4.336 2.740 ( 0.228 -0.778 -1.976) 2.136 2.894 ( -0.651 -0.585 1.448) 1.692 2.925 ( 1.249 -3.998 -1.824) 4.569 3.051 ( 0.992 3.240 0.309) 3.402 3.087 ( 0.773 2.595 -1.940) 3.331 3.266 ( 3.857 1.737 5.615) 7.031 3.323 ( -0.516 -1.326 1.159) 1.835 3.512 ( -2.765 2.288 1.305) 3.818 3.555 ( 5.147 0.664 -1.212) 5.329 3.713 ( -3.159 2.672 0.913) 4.237 3.747 ( -2.431 5.080 7.227) 9.163 3.761 ( -0.857 -0.695 1.809) 2.119 3.791 ( -10.340 1.012 0.195) 10.391 3.833 ( 1.352 -4.667 -3.768) 6.148 3.844 ( 9.877 -4.854 -3.166) 11.451 3.932 ( 1.004 1.394 1.973) 2.616 3.970 ( 2.287 -2.772 -0.483) 3.626 4.201 ( -0.980 9.105 4.608) 10.251 4.242 ( 1.960 5.299 2.437) 6.152 4.268 ( 1.727 6.414 2.828) 7.219 4.293 ( 3.240 1.278 4.650) 5.810 4.359 ( -2.653 1.566 -0.496) 3.121 4.417 ( -2.542 -3.448 0.375) 4.301 4.507 ( 3.921 0.497 1.017) 4.081 4.610 ( -0.854 -5.366 -4.347) 6.958 4.697 ( 0.744 1.537 3.796) 4.162 4.738 ( 1.055 -1.789 -0.053) 2.077 4.861 ( 0.569 2.188 2.984) 3.744 4.891 ( -0.002 -1.266 0.231) 1.287 5.016 ( -3.193 2.948 2.873) 5.210 5.096 ( 4.852 0.030 -3.781) 6.151 5.243 ( -1.822 -1.704 0.754) 2.606 5.322 ( 1.894 -4.959 -6.259) 8.207 5.464 ( -4.205 -2.198 -0.761) 4.805 5.465 ( 0.985 -1.776 -0.921) 2.230 5.778 ( -4.510 6.463 6.206) 10.031 5.843 ( 0.642 2.510 0.857) 2.729 5.919 ( -1.362 2.808 2.950) 4.295 5.944 ( -0.720 -2.333 -0.003) 2.441 5.976 ( -1.258 -2.915 0.259) 3.185 6.013 ( 0.438 -1.166 -2.798) 3.063 6.117 ( 2.749 -0.856 1.092) 3.079 6.204 ( -0.683 1.485 -3.757) 4.097 6.223 ( 1.489 -2.930 6.141) 6.965 6.269 ( 0.759 -0.340 1.310) 1.552 6.337 ( -2.043 3.082 1.626) 4.040 6.356 ( -1.781 2.529 -2.239) 3.819 6.427 ( -3.072 -1.761 -3.371) 4.888 6.474 ( 0.879 -4.739 -6.561) 8.142 6.525 ( -5.105 2.239 4.402) 7.103 6.605 ( -3.854 -1.430 1.593) 4.409 6.638 ( 2.821 1.137 -4.123) 5.124 6.679 ( 5.902 -0.669 -2.431) 6.418 6.747 ( 0.025 0.421 2.376) 2.413 6.811 ( -1.369 3.261 -2.283) 4.210 6.817 ( -3.419 -5.960 0.772) 6.914 6.840 ( 2.892 0.306 -1.371) 3.215 6.931 ( -1.934 1.809 -0.468) 2.689 6.951 ( 4.715 0.133 -1.075) 4.838 6.980 ( -1.567 -2.776 1.201) 3.407 7.027 ( 4.221 -1.976 -1.962) 5.057 7.084 ( -4.624 2.249 2.464) 5.702 7.114 ( 4.199 1.876 -0.037) 4.599 7.160 ( -1.522 -2.934 3.696) 4.959 7.223 ( 2.309 -5.679 -1.523) 6.316 7.280 ( -4.923 2.463 2.438) 6.021 7.308 ( 2.021 -0.928 0.131) 2.227 7.384 ( 0.606 -0.512 1.850) 2.013 7.419 ( -2.805 -2.935 -1.446) 4.310 7.486 ( -0.105 1.461 -0.914) 1.727 7.509 ( 0.028 0.180 -1.207) 1.220 7.550 ( -0.000 3.096 1.523) 3.450 7.605 ( 0.314 0.271 -2.861) 2.891 7.686 ( 1.773 -1.737 -1.768) 3.048 7.731 ( -0.525 -1.752 -0.456) 1.885 7.737 ( -0.531 -1.179 1.370) 1.884 7.770 ( 2.234 -0.620 3.448) 4.155 7.892 ( 0.906 1.422 -0.928) 1.925 7.921 ( -0.433 -0.175 -0.703) 0.844 7.966 ( -2.061 -1.452 1.159) 2.775 7.992 ( 0.020 -4.426 -1.379) 4.636 8.005 ( 1.335 0.480 -4.111) 4.349 8.052 ( 1.786 -2.872 -4.055) 5.280 8.078 ( -0.704 1.614 1.602) 2.381 8.118 ( -0.015 -1.399 1.872) 2.337 8.210 ( 2.200 3.293 -3.303) 5.157 8.269 ( 1.064 -2.278 -1.243) 2.805 8.320 ( 1.775 1.474 -5.421) 5.892 8.371 ( 1.680 -3.104 -4.306) 5.568 8.497 ( 2.243 -0.406 1.785) 2.895 8.505 ( 0.157 -0.711 1.651) 1.805 8.552 ( -3.077 1.740 -0.888) 3.645 8.569 ( -0.763 -0.130 -2.395) 2.517 8.620 ( 0.684 3.225 -2.181) 3.953 8.648 ( 0.838 1.680 -4.077) 4.489 8.803 ( -2.541 2.491 4.174) 5.485 8.851 ( -1.615 -1.469 2.492) 3.313 8.880 ( -2.864 0.787 2.685) 4.004 8.928 ( -4.218 -2.934 2.463) 5.698 8.954 ( 1.262 1.949 0.992) 2.525 8.977 ( 3.219 -0.888 1.101) 3.516 9.073 ( 6.250 0.315 0.676) 6.294 9.104 ( -0.728 -1.854 -2.487) 3.186 9.132 ( -1.782 -0.006 -1.815) 2.543 9.155 ( -2.939 -1.525 -2.138) 3.942 9.296 ( -0.377 0.739 2.883) 3.000 9.329 ( 2.320 -1.789 -0.067) 2.931 9.424 ( -0.826 1.001 1.173) 1.749 9.457 ( -3.248 -1.279 1.634) 3.854 9.487 ( -2.113 2.873 -0.635) 3.622 9.535 ( 5.172 1.372 -3.086) 6.177 9.568 ( -2.065 -4.008 0.514) 4.538 9.586 ( 2.654 -3.664 -0.045) 4.525 9.830 ( -0.102 0.923 1.816) 2.040 9.864 ( 0.945 -1.928 -1.260) 2.489 10.120 ( 1.139 0.785 2.821) 3.142 10.144 ( 1.089 -1.306 0.865) 1.907 10.206 ( -0.044 -0.039 -0.047) 0.075 10.211 ( -0.941 -0.563 -1.014) 1.494 10.721 ( 0.164 5.191 1.385) 5.375 10.752 ( -0.745 5.694 -1.689) 5.986 10.805 ( 1.448 -1.789 3.388) 4.096 10.860 ( -2.571 -3.393 -2.033) 4.718 11.296 ( -1.583 0.930 3.812) 4.231 11.322 ( 0.132 -1.354 2.111) 2.512 11.413 ( 0.555 1.030 -0.149) 1.180 11.424 ( -0.299 0.120 -1.305) 1.344 11.669 ( 0.129 -0.044 1.345) 1.352 11.687 ( 0.114 -1.199 2.200) 2.508 11.697 ( -0.053 -0.174 -1.321) 1.334 11.724 ( 0.014 -2.179 -1.479) 2.634 12.028 ( -1.392 1.545 1.814) 2.759 12.058 ( 0.592 -0.467 -0.753) 1.065 12.142 ( -1.228 0.654 2.418) 2.789 12.178 ( -1.205 0.639 0.826) 1.595 12.194 ( 1.933 -1.663 -0.130) 2.553 12.222 ( -0.348 -1.354 -0.609) 1.525 12.319 ( 1.138 2.221 2.635) 3.629 12.367 ( 0.059 -0.189 1.767) 1.778 12.390 ( -0.020 -0.589 -1.062) 1.214 12.423 ( -2.169 -2.485 -0.559) 3.345 12.478 ( 2.399 -0.274 1.260) 2.724 12.491 ( 1.521 -1.235 -0.058) 1.960 12.562 ( -0.284 2.929 0.055) 2.943 12.590 ( 0.050 2.584 -2.483) 3.584 12.653 ( -0.927 -4.837 0.547) 4.956 12.670 ( 0.442 -4.831 -0.637) 4.893 12.806 ( -0.489 0.409 1.720) 1.835 12.836 ( -1.427 -1.606 0.011) 2.149 12.891 ( 0.038 0.959 -0.436) 1.054 12.911 ( 0.119 -0.090 -2.648) 2.652 13.025 ( 0.705 -0.033 0.327) 0.778 13.038 ( 1.649 -0.447 -0.723) 1.855 13.110 ( 0.351 1.473 -0.516) 1.600 13.122 ( -2.392 1.155 -1.228) 2.926 13.203 ( 0.327 -1.237 0.609) 1.417 13.212 ( 1.338 -1.971 0.200) 2.391 13.455 ( -2.056 3.123 5.048) 6.282 13.516 ( -2.990 -2.116 3.850) 5.314 13.549 ( 1.620 2.440 -3.655) 4.683 13.590 ( 3.568 -1.457 -3.450) 5.173 13.704 ( -1.647 -1.679 0.687) 2.450 13.725 ( -0.432 -3.087 -0.750) 3.206 13.820 ( -0.189 2.055 1.375) 2.480 13.846 ( -0.736 -0.091 -0.896) 1.163 13.980 ( 1.240 1.557 0.624) 2.086 14.003 ( 0.616 -0.665 -1.191) 1.496 14.111 ( -0.234 7.345 3.379) 8.088 14.172 ( 0.041 6.218 -1.874) 6.495 14.236 ( 1.948 1.550 2.435) 3.482 14.262 ( -0.768 2.715 -0.454) 2.858 14.282 ( -0.104 0.745 0.469) 0.886 14.318 ( -1.908 0.026 -1.978) 2.748 14.408 ( 2.665 2.674 1.747) 4.160 14.442 ( -2.987 -1.111 -1.099) 3.371 14.482 ( -2.212 -1.080 1.208) 2.742 14.507 ( 1.924 -2.180 -1.264) 3.170 14.754 ( 1.416 4.471 1.073) 4.811 14.760 ( -2.672 8.546 0.827) 8.992 14.893 ( -1.091 -6.127 2.423) 6.678 14.935 ( -1.564 -5.284 -0.619) 5.545 15.023 ( 0.019 0.173 0.819) 0.837 15.036 ( 0.866 4.055 0.033) 4.147 15.133 ( 0.310 -1.668 -1.871) 2.526 15.157 ( 0.002 -4.679 -4.465) 6.468 15.327 ( 0.101 -4.719 4.608) 6.597 15.415 ( 1.413 -9.203 -2.782) 9.718 15.892 ( -0.288 2.098 2.911) 3.600 15.905 ( 1.727 0.670 1.033) 2.121 16.180 ( -1.979 3.195 -1.645) 4.103 16.238 ( 0.412 -1.965 -6.579) 6.879 16.445 ( 0.676 2.187 2.021) 3.053 16.481 ( 0.754 -0.309 -0.580) 1.000 16.668 ( -1.396 -0.296 1.602) 2.146 16.682 ( -1.867 -0.977 0.473) 2.159 16.743 ( -1.268 -0.306 -3.479) 3.716 16.779 ( 2.825 -3.045 -5.064) 6.550 17.226 ( -0.232 2.257 3.700) 4.341 17.265 ( -1.444 -0.588 1.045) 1.877 17.346 ( -2.402 0.878 1.735) 3.090 17.381 ( 4.869 1.987 -0.828) 5.323 17.427 ( -2.457 -4.002 2.122) 5.153 17.474 ( 3.657 -3.205 -2.059) 5.280 17.586 ( 6.378 0.634 4.514) 7.840 17.647 ( 6.597 -4.407 7.580) 10.972 17.736 ( -8.603 1.871 -7.242) 11.400 17.775 ( -4.412 -1.439 -3.897) 6.060 17.983 ( -1.818 1.804 1.534) 2.985 18.020 ( 0.919 -1.400 -1.872) 2.512 18.314 ( 1.502 2.877 1.361) 3.520 18.338 ( 2.564 2.019 -0.368) 3.284 18.368 ( -4.499 0.021 1.454) 4.728 18.399 ( 2.958 -1.106 -1.111) 3.348 18.641 ( -3.827 5.028 0.855) 6.376 18.672 ( 1.904 3.792 -0.620) 4.288 18.704 ( -0.863 0.792 -0.112) 1.176 18.742 ( 1.358 -0.874 -2.324) 2.830 18.994 ( -1.102 6.901 1.524) 7.152 19.054 ( -2.139 3.700 -3.561) 5.563 19.157 ( -0.117 -4.403 2.370) 5.001 19.185 ( 3.025 -4.659 -0.434) 5.572 20.153 ( -2.971 -0.066 5.029) 5.842 20.171 ( -2.030 -1.784 4.318) 5.094 20.522 ( 5.370 1.355 -5.494) 7.801 20.544 ( 1.213 -0.790 -6.543) 6.701 21.465 ( -0.224 1.044 1.267) 1.657 21.488 ( 0.375 -1.006 -0.955) 1.437 22.619 ( 0.097 0.022 3.094) 3.096 22.643 ( -2.222 -2.321 1.013) 3.369 ======================= Grid point 61 (36/39) ======================= q-point: ( 0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 2.303 2.610 -1.905) 3.968 1.763 ( 3.950 0.263 -1.332) 4.177 1.873 ( 5.477 5.373 4.058) 8.679 1.923 ( 4.148 1.900 0.002) 4.562 2.048 ( 6.426 2.408 13.322) 14.986 2.155 ( -0.375 -3.530 2.307) 4.234 2.226 ( 7.464 0.206 -7.509) 10.590 2.276 ( 3.763 -1.357 1.178) 4.170 2.506 ( -4.089 8.603 3.509) 10.151 2.561 ( 3.743 6.108 1.041) 7.239 2.668 ( -0.964 -0.591 1.207) 1.654 2.729 ( -2.496 -4.232 3.632) 6.110 2.864 ( -0.799 2.359 -0.322) 2.512 2.937 ( 1.453 -5.526 -2.212) 6.127 3.071 ( -1.351 2.153 0.412) 2.575 3.115 ( 1.911 -1.530 -2.479) 3.484 3.223 ( -4.557 -0.941 -2.881) 5.473 3.265 ( -4.726 -0.700 -1.309) 4.954 3.405 ( -7.609 -1.037 -0.316) 7.686 3.447 ( -11.502 -6.341 1.067) 13.178 3.555 ( -5.798 2.716 -1.710) 6.626 3.607 ( -7.638 -2.479 2.935) 8.550 3.693 ( -4.520 3.038 0.709) 5.492 3.757 ( -5.537 -0.661 -1.567) 5.793 3.920 ( 7.631 5.065 -0.057) 9.159 3.976 ( 4.955 1.438 0.112) 5.160 4.040 ( 5.138 0.432 -3.017) 5.974 4.065 ( 3.841 -2.751 -1.854) 5.075 4.125 ( -3.435 5.790 -0.095) 6.733 4.234 ( -2.212 1.443 2.020) 3.325 4.277 ( -0.947 3.734 -0.989) 3.978 4.348 ( -2.986 -3.310 -2.884) 5.309 4.430 ( 6.034 1.980 5.198) 8.206 4.466 ( 6.096 0.870 8.434) 10.443 4.589 ( -4.455 2.064 0.923) 4.996 4.614 ( -5.282 3.059 -2.461) 6.582 4.645 ( 1.106 0.655 -3.790) 4.002 4.697 ( 8.456 -1.107 1.424) 8.646 4.916 ( 1.302 2.651 -0.031) 2.954 4.974 ( 7.108 3.445 -0.869) 7.947 4.999 ( 3.065 3.697 0.689) 4.852 5.186 ( 7.629 -6.544 -5.178) 11.306 5.312 ( -0.154 0.902 2.649) 2.803 5.331 ( -5.197 2.227 -1.676) 5.897 5.374 ( 2.329 -3.486 0.586) 4.233 5.435 ( -1.420 -5.037 0.719) 5.283 5.687 ( -12.210 7.010 9.901) 17.212 5.755 ( -6.769 1.299 2.237) 7.246 5.872 ( -1.568 2.018 1.848) 3.153 5.924 ( -1.552 -3.362 0.055) 3.703 5.959 ( 0.340 1.478 -1.070) 1.856 6.019 ( -0.530 -4.345 1.783) 4.726 6.172 ( 1.452 3.780 -0.138) 4.052 6.189 ( 1.119 3.348 -3.185) 4.754 6.240 ( 0.439 -4.188 4.235) 5.972 6.305 ( 0.803 -2.378 -2.194) 3.334 6.331 ( 2.048 1.536 1.876) 3.173 6.371 ( 1.505 2.898 1.916) 3.786 6.399 ( 1.299 -2.962 2.027) 3.817 6.457 ( 0.253 -1.969 -1.219) 2.329 6.505 ( 1.480 -1.059 -1.506) 2.362 6.541 ( -2.184 -1.772 2.704) 3.902 6.670 ( -3.484 3.284 1.338) 4.971 6.733 ( 2.590 4.719 -2.939) 6.133 6.736 ( -3.565 -3.488 1.313) 5.157 6.765 ( -1.574 -0.043 -1.212) 1.987 6.808 ( 0.154 0.904 -2.900) 3.041 6.857 ( 0.600 2.060 -1.051) 2.389 6.908 ( -2.188 3.983 -2.042) 4.982 6.953 ( 3.206 -3.342 1.110) 4.763 7.008 ( 0.922 -1.667 -0.483) 1.965 7.047 ( 0.172 -2.107 1.741) 2.739 7.072 ( 2.207 -5.381 -2.767) 6.441 7.133 ( 0.496 -6.417 -1.496) 6.608 7.160 ( -2.954 2.804 1.567) 4.364 7.201 ( -0.417 5.325 1.754) 5.622 7.262 ( 0.167 -4.781 -1.534) 5.024 7.315 ( -1.165 -4.663 1.865) 5.156 7.387 ( 1.034 1.767 3.173) 3.776 7.411 ( 0.109 -0.508 2.727) 2.776 7.513 ( -0.024 1.892 -2.639) 3.247 7.529 ( 0.464 -0.764 -1.219) 1.512 7.557 ( 1.076 1.923 4.922) 5.393 7.609 ( 2.338 -0.564 -1.938) 3.088 7.697 ( -0.099 -0.545 0.657) 0.860 7.714 ( 0.537 0.741 -1.905) 2.113 7.748 ( 0.483 -0.500 2.627) 2.717 7.817 ( 0.154 -3.264 -0.869) 3.381 7.882 ( -4.278 0.739 -1.418) 4.567 7.900 ( -0.550 0.511 -1.997) 2.134 7.943 ( 2.040 -1.805 -1.140) 2.953 7.967 ( -1.265 -4.149 -3.572) 5.619 7.998 ( 0.148 0.142 -4.774) 4.778 8.052 ( -0.628 -3.735 -4.961) 6.241 8.101 ( 2.215 1.287 3.245) 4.134 8.150 ( 2.347 -2.405 1.493) 3.677 8.228 ( -0.286 3.986 -1.413) 4.239 8.286 ( 2.727 0.356 -5.320) 5.989 8.315 ( 0.385 -0.878 -0.074) 0.961 8.347 ( -1.759 -2.361 -8.558) 9.051 8.446 ( -3.182 1.142 -1.675) 3.773 8.471 ( -4.332 -0.789 -1.072) 4.532 8.497 ( -0.938 2.611 2.226) 3.557 8.561 ( 1.016 -2.967 0.439) 3.167 8.621 ( -1.258 3.437 0.273) 3.671 8.677 ( 2.192 -0.385 -2.690) 3.492 8.774 ( -3.705 2.449 3.278) 5.520 8.826 ( -2.910 -2.219 2.073) 4.206 8.868 ( 1.366 0.273 2.200) 2.603 8.891 ( 0.063 -2.218 2.794) 3.568 8.989 ( -0.123 3.490 0.907) 3.608 8.995 ( -2.861 1.148 -1.199) 3.308 9.040 ( -0.118 -2.102 -0.577) 2.183 9.083 ( 1.530 -3.377 2.928) 4.724 9.181 ( 2.977 1.918 0.242) 3.550 9.212 ( 4.050 0.587 -0.287) 4.102 9.305 ( 0.432 1.388 0.710) 1.618 9.359 ( -0.081 -3.585 -3.095) 4.737 9.400 ( -2.261 -1.056 3.332) 4.163 9.410 ( 0.305 -0.933 3.123) 3.273 9.526 ( 4.970 1.241 -3.058) 5.966 9.584 ( 3.988 -3.321 -1.710) 5.464 9.629 ( 4.999 1.082 -1.436) 5.312 9.657 ( 3.571 -1.776 0.810) 4.070 9.807 ( -3.032 1.047 -0.005) 3.207 9.840 ( -2.470 -1.982 -2.196) 3.854 10.129 ( -0.751 0.447 0.065) 0.877 10.144 ( -0.297 -0.456 -1.645) 1.733 10.187 ( -1.532 0.245 0.875) 1.781 10.201 ( -0.946 -0.824 1.115) 1.678 10.690 ( -2.134 5.225 1.150) 5.760 10.778 ( -3.053 -2.703 -0.873) 4.170 10.797 ( 3.348 4.702 1.094) 5.875 10.868 ( 1.871 -1.604 2.123) 3.253 11.261 ( -3.440 2.259 3.499) 5.402 11.311 ( -2.505 -2.133 1.873) 3.786 11.387 ( -1.677 1.609 -0.479) 2.373 11.421 ( -0.443 -1.148 -0.300) 1.266 11.675 ( -0.180 0.214 1.038) 1.075 11.691 ( 0.180 -0.338 -1.024) 1.093 11.696 ( -0.400 -1.609 1.555) 2.273 11.719 ( 0.286 -2.374 -1.459) 2.801 12.015 ( -0.049 1.870 1.417) 2.347 12.077 ( 0.457 -3.457 1.219) 3.694 12.126 ( -0.802 3.853 0.563) 3.976 12.161 ( -1.250 1.355 2.191) 2.863 12.214 ( -0.210 -0.860 0.220) 0.912 12.236 ( 1.915 -2.309 -1.551) 3.377 12.344 ( 0.883 0.860 -1.008) 1.592 12.365 ( -0.873 -0.198 0.815) 1.211 12.394 ( -0.332 0.011 0.674) 0.751 12.405 ( 0.178 -1.821 1.543) 2.394 12.510 ( 2.449 0.531 -0.541) 2.563 12.531 ( 0.387 0.684 -3.889) 3.968 12.566 ( 1.562 2.048 1.648) 3.058 12.604 ( 2.931 2.087 -2.088) 4.160 12.653 ( 1.150 -3.934 0.789) 4.174 12.680 ( 0.734 -4.966 -0.823) 5.087 12.799 ( -1.409 -0.548 1.469) 2.108 12.810 ( -0.953 -0.981 0.679) 1.527 12.877 ( -1.238 1.297 -0.746) 1.942 12.909 ( -0.070 -0.851 1.659) 1.866 12.999 ( -2.006 1.105 -2.110) 3.114 13.043 ( -0.964 -1.961 -2.940) 3.663 13.085 ( -0.707 1.674 0.117) 1.821 13.134 ( 0.818 -0.925 2.647) 2.921 13.192 ( -1.512 -1.484 -0.539) 2.186 13.217 ( -0.325 -2.037 -1.959) 2.845 13.432 ( -3.208 1.797 5.046) 6.244 13.452 ( -3.629 0.472 4.255) 5.612 13.556 ( 0.772 1.940 -3.433) 4.018 13.624 ( 0.995 -3.977 -2.144) 4.627 13.703 ( 1.044 0.117 0.782) 1.310 13.729 ( 0.375 -1.893 0.531) 2.001 13.831 ( 0.479 1.326 0.559) 1.517 13.839 ( 1.122 0.342 0.775) 1.406 13.991 ( -0.173 2.075 -2.657) 3.376 14.027 ( 1.575 -0.965 -1.179) 2.192 14.110 ( -0.643 5.608 2.039) 6.002 14.150 ( -2.017 4.103 -0.930) 4.665 14.220 ( -0.988 5.542 -0.640) 5.666 14.269 ( -0.436 1.513 0.880) 1.804 14.284 ( 0.208 0.955 -0.323) 1.029 14.330 ( 1.681 -2.251 2.495) 3.758 14.368 ( -2.569 2.346 -1.238) 3.693 14.423 ( -0.805 -1.521 -0.066) 1.723 14.489 ( 1.953 3.711 2.021) 4.655 14.571 ( 3.719 -2.650 -0.741) 4.626 14.717 ( -1.109 9.595 1.676) 9.803 14.820 ( 1.816 4.541 2.682) 5.577 14.893 ( 0.531 -3.631 2.075) 4.216 14.957 ( 2.883 -0.603 0.411) 2.974 15.002 ( -0.875 -4.804 3.116) 5.792 15.038 ( -0.047 1.844 -2.338) 2.977 15.151 ( 0.944 -4.664 -2.394) 5.327 15.159 ( 1.607 -6.401 0.067) 6.600 15.320 ( -2.051 -2.731 1.761) 3.842 15.405 ( -0.506 -6.803 -4.419) 8.128 15.879 ( -1.707 3.835 -0.207) 4.203 15.929 ( 0.276 -0.233 -0.516) 0.630 16.170 ( 0.806 3.211 2.720) 4.285 16.238 ( 2.073 -3.292 -2.976) 4.898 16.463 ( 0.419 2.739 0.735) 2.867 16.494 ( 1.059 0.295 -1.659) 1.990 16.624 ( -2.496 -0.303 1.522) 2.939 16.661 ( 0.002 -3.879 -1.328) 4.099 16.777 ( 4.681 2.087 -0.139) 5.127 16.830 ( 3.871 -2.133 -2.208) 4.941 17.158 ( -6.575 -0.612 1.860) 6.861 17.179 ( -7.178 -2.250 2.461) 7.915 17.280 ( -10.181 3.280 -0.550) 10.710 17.321 ( -2.670 0.402 -0.335) 2.721 17.435 ( -7.082 -1.967 -5.309) 9.067 17.468 ( -8.662 -4.304 -2.047) 9.887 17.546 ( 6.108 -0.514 -1.466) 6.303 17.581 ( 4.249 -3.429 -0.443) 5.478 17.845 ( 8.173 5.526 8.467) 13.001 17.939 ( 6.602 -1.554 2.899) 7.376 18.015 ( 6.187 1.344 0.692) 6.370 18.058 ( 5.151 -1.489 -4.699) 7.130 18.265 ( -4.936 2.520 -1.209) 5.672 18.313 ( -1.929 -1.697 -1.836) 3.158 18.398 ( 3.224 4.365 -0.240) 5.432 18.475 ( 2.470 -2.466 -0.272) 3.501 18.561 ( -3.381 5.975 2.501) 7.307 18.642 ( -4.223 -1.535 3.251) 5.546 18.705 ( 0.660 3.863 -2.912) 4.882 18.743 ( -0.113 -0.019 -2.454) 2.457 18.983 ( -2.731 5.237 2.415) 6.381 19.016 ( 0.883 4.768 2.660) 5.530 19.174 ( 1.307 -2.133 -0.974) 2.684 19.247 ( 3.621 -5.815 -2.871) 7.428 20.068 ( -7.660 1.588 7.036) 10.521 20.112 ( -6.338 -2.448 4.470) 8.133 20.527 ( 0.534 0.701 -7.559) 7.611 20.551 ( 1.117 -1.309 -6.996) 7.205 21.460 ( -0.686 1.875 1.452) 2.469 21.497 ( 0.732 -1.350 -1.078) 1.876 22.596 ( -2.839 -0.049 1.755) 3.338 22.616 ( -2.028 -1.729 3.257) 4.209 ======================= Grid point 62 (37/39) ======================= q-point: (-0.60 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.797 ( 4.332 2.628 -0.028) 5.067 1.843 ( 4.177 -0.818 0.050) 4.256 1.932 ( -1.174 2.026 -3.639) 4.327 1.942 ( -0.423 1.115 -1.028) 1.575 2.139 ( 0.034 1.971 4.943) 5.321 2.181 ( 2.535 -2.209 -1.050) 3.523 2.376 ( -4.216 11.132 7.516) 14.078 2.415 ( 7.879 1.330 3.047) 8.552 2.488 ( 7.447 1.101 11.323) 13.597 2.608 ( -2.291 3.648 6.562) 7.850 2.679 ( -1.306 3.037 -0.573) 3.355 2.714 ( 3.233 1.204 1.584) 3.796 2.916 ( 4.594 -0.150 -7.204) 8.546 2.932 ( 1.864 -8.001 -1.518) 8.354 3.014 ( -1.539 -0.854 -0.438) 1.814 3.077 ( -0.215 -0.081 -0.491) 0.542 3.225 ( -0.251 -5.275 -2.348) 5.779 3.242 ( -0.768 -4.052 4.663) 6.225 3.272 ( -1.419 -0.616 -4.146) 4.425 3.313 ( -1.735 -4.133 -3.519) 5.699 3.462 ( -5.256 3.966 4.474) 7.961 3.539 ( -2.216 -1.142 2.921) 3.840 3.608 ( -1.170 -2.227 -4.011) 4.734 3.646 ( -3.091 -4.360 -7.245) 9.002 3.924 ( -5.436 2.212 -3.100) 6.637 3.980 ( -5.986 -1.588 -4.379) 7.585 4.040 ( 1.373 5.226 -0.451) 5.422 4.073 ( -2.034 8.272 -1.653) 8.678 4.126 ( 2.389 -1.326 -0.491) 2.776 4.221 ( -2.555 -1.612 -5.907) 6.635 4.276 ( 3.411 0.713 2.826) 4.486 4.315 ( 1.035 -4.041 2.334) 4.780 4.437 ( -8.889 2.830 2.334) 9.616 4.451 ( -7.473 1.021 2.778) 8.038 4.534 ( 1.730 1.321 4.349) 4.863 4.581 ( 1.771 -2.900 1.581) 3.748 4.727 ( 3.032 4.544 1.631) 5.702 4.791 ( 0.718 -1.152 -0.597) 1.483 4.985 ( 0.602 9.438 4.570) 10.503 5.078 ( 5.606 6.500 -0.948) 8.636 5.134 ( 6.437 -1.098 3.843) 7.577 5.195 ( -3.796 0.435 3.281) 5.036 5.214 ( -4.619 -1.867 -4.632) 6.802 5.286 ( -0.096 0.892 -0.991) 1.336 5.414 ( 5.316 -0.705 -1.408) 5.544 5.489 ( -0.392 -4.232 -1.815) 4.621 5.545 ( -2.815 8.157 8.929) 12.417 5.675 ( -3.224 -1.281 0.474) 3.502 5.868 ( 0.763 1.468 1.962) 2.566 5.907 ( -0.602 -2.119 0.132) 2.207 5.986 ( 2.130 3.676 2.600) 4.981 6.039 ( 1.914 -1.582 4.021) 4.726 6.145 ( -2.253 4.517 -2.970) 5.857 6.201 ( -1.133 0.535 1.181) 1.721 6.309 ( 3.011 -2.296 5.549) 6.718 6.344 ( 0.915 2.155 0.703) 2.445 6.354 ( 4.905 -4.858 -1.585) 7.083 6.411 ( 0.643 -1.474 -0.209) 1.621 6.462 ( 3.135 -0.400 -1.968) 3.723 6.465 ( 2.710 -0.884 -3.637) 4.621 6.506 ( -4.227 0.324 0.163) 4.242 6.518 ( -0.644 -0.288 -1.299) 1.478 6.588 ( -3.544 4.709 2.309) 6.330 6.645 ( -3.817 -0.777 -0.923) 4.003 6.709 ( -2.859 -0.122 2.863) 4.048 6.744 ( -0.967 -1.301 -2.189) 2.724 6.786 ( -0.341 6.693 -0.790) 6.748 6.856 ( 0.830 4.960 -4.133) 6.509 6.921 ( 0.925 0.991 0.892) 1.623 6.990 ( -0.549 -5.262 1.929) 5.632 7.032 ( 3.025 1.606 -0.769) 3.511 7.062 ( 1.348 -2.943 -1.334) 3.501 7.115 ( 2.077 0.035 1.587) 2.614 7.138 ( 2.628 -1.421 2.392) 3.827 7.192 ( 0.833 -4.290 -1.646) 4.670 7.214 ( 1.626 0.002 0.514) 1.705 7.243 ( 0.820 -4.536 0.634) 4.653 7.310 ( -2.128 -3.366 0.237) 3.990 7.409 ( -0.510 1.848 -1.186) 2.254 7.423 ( 0.510 -0.061 2.199) 2.258 7.468 ( -2.020 0.752 -0.953) 2.357 7.484 ( -1.190 -1.343 2.395) 2.992 7.593 ( -3.784 -0.521 4.878) 6.195 7.620 ( -6.586 0.795 0.835) 6.686 7.684 ( 4.407 0.857 2.360) 5.072 7.750 ( -1.142 -2.181 2.120) 3.249 7.765 ( -1.195 -0.236 2.023) 2.362 7.791 ( 4.928 -2.280 -3.207) 6.306 7.844 ( 3.044 1.817 -6.620) 7.509 7.897 ( 0.407 -0.646 -6.488) 6.533 7.932 ( -0.761 0.858 -0.120) 1.153 7.948 ( 0.128 -2.020 -8.154) 8.401 7.970 ( -0.134 -2.725 -3.674) 4.576 7.986 ( -2.168 -3.185 -5.273) 6.531 8.157 ( -0.218 0.210 3.545) 3.558 8.179 ( -1.033 1.676 -1.486) 2.467 8.200 ( -1.088 -1.161 2.998) 3.394 8.230 ( -2.830 -1.168 -3.553) 4.690 8.318 ( 2.616 1.368 -0.104) 2.954 8.372 ( 2.769 -3.615 0.444) 4.575 8.429 ( 2.452 1.856 -1.782) 3.554 8.459 ( 2.072 0.437 -2.483) 3.263 8.462 ( -4.336 2.509 0.706) 5.059 8.559 ( -1.832 -5.365 -0.774) 5.721 8.588 ( -0.960 1.156 -0.085) 1.505 8.663 ( -1.010 -3.834 -3.841) 5.520 8.717 ( -2.641 3.292 1.030) 4.345 8.802 ( -0.259 -3.215 -2.210) 3.910 8.871 ( -0.421 0.909 -1.036) 1.442 8.905 ( 1.144 -1.744 -2.132) 2.982 9.005 ( 2.858 2.845 7.968) 8.931 9.055 ( 2.964 -0.669 6.659) 7.320 9.077 ( 4.052 2.989 1.829) 5.357 9.128 ( -0.184 -0.033 3.504) 3.509 9.210 ( 1.737 -1.559 2.366) 3.323 9.255 ( -0.036 -0.014 -0.348) 0.350 9.298 ( -2.019 -1.718 -4.539) 5.256 9.315 ( -0.881 2.035 -2.083) 3.042 9.413 ( 1.657 -1.803 -0.974) 2.635 9.432 ( 0.137 -0.577 -0.383) 0.706 9.602 ( 3.179 0.508 -1.184) 3.430 9.640 ( 2.170 -1.829 -3.444) 4.463 9.676 ( -0.007 -0.272 1.853) 1.873 9.689 ( -1.805 -1.924 2.192) 3.431 9.743 ( -2.388 -0.791 -1.049) 2.726 9.772 ( -1.861 -2.825 -3.312) 4.735 10.123 ( 1.505 1.725 -1.152) 2.563 10.141 ( -1.278 1.532 0.327) 2.022 10.164 ( -0.100 -0.864 1.082) 1.388 10.176 ( -2.240 -1.052 1.775) 3.045 10.671 ( -0.608 3.512 1.975) 4.075 10.720 ( -2.259 -0.924 -0.579) 2.509 10.872 ( 3.626 2.916 0.631) 4.696 10.898 ( 0.059 0.593 1.635) 1.740 11.224 ( -1.873 2.466 3.345) 4.558 11.265 ( -2.349 -0.657 1.066) 2.662 11.371 ( -0.118 0.279 0.739) 0.798 11.404 ( -0.866 -1.936 -0.535) 2.187 11.672 ( -0.721 -0.283 1.179) 1.411 11.688 ( -0.977 -1.931 1.325) 2.538 11.693 ( 0.571 -0.244 -1.121) 1.281 11.719 ( 0.339 -2.491 -1.411) 2.883 12.041 ( 1.464 1.552 2.269) 3.115 12.084 ( -0.658 -1.473 3.037) 3.439 12.118 ( -0.047 2.363 -1.038) 2.581 12.160 ( 0.746 -0.360 -0.233) 0.860 12.214 ( -0.284 0.135 1.184) 1.226 12.237 ( -0.505 -0.764 -2.140) 2.328 12.332 ( -0.889 1.254 -1.608) 2.225 12.372 ( -0.246 -1.720 -1.380) 2.219 12.390 ( -0.052 0.089 4.137) 4.139 12.399 ( -1.885 -0.144 4.649) 5.018 12.504 ( -0.754 2.640 -4.037) 4.882 12.524 ( -0.264 1.476 -5.774) 5.965 12.611 ( 2.917 1.278 2.146) 3.840 12.670 ( 1.166 -1.558 2.731) 3.353 12.685 ( 2.874 -1.598 -3.026) 4.469 12.715 ( 3.162 -4.845 -0.485) 5.805 12.784 ( -0.392 -0.836 1.253) 1.557 12.798 ( -0.937 -2.019 0.164) 2.232 12.857 ( 0.018 2.874 0.814) 2.988 12.917 ( -0.735 -2.915 -0.176) 3.012 12.943 ( -1.874 2.865 0.458) 3.454 13.009 ( -0.810 -2.691 -2.178) 3.555 13.074 ( -0.284 1.083 -1.678) 2.018 13.138 ( -3.382 -2.454 -2.177) 4.711 13.157 ( 0.850 -1.342 2.496) 2.958 13.198 ( -0.558 -2.690 -0.984) 2.918 13.407 ( -1.295 1.711 5.542) 5.943 13.444 ( -0.909 -1.129 5.261) 5.457 13.557 ( 1.256 2.261 -2.832) 3.835 13.624 ( 0.164 -3.547 -2.919) 4.596 13.718 ( -0.213 1.149 1.390) 1.816 13.735 ( 0.281 -0.597 0.479) 0.816 13.853 ( 1.613 2.302 0.539) 2.862 13.880 ( 2.160 0.009 0.280) 2.178 13.954 ( -1.892 3.140 -1.333) 3.901 14.010 ( -2.635 -1.690 -2.104) 3.771 14.105 ( -0.782 3.234 1.397) 3.609 14.127 ( 0.570 1.037 -1.101) 1.616 14.223 ( 1.393 4.819 -1.138) 5.143 14.250 ( -2.066 3.385 -0.191) 3.970 14.286 ( 0.518 3.129 0.694) 3.247 14.329 ( -0.889 2.293 -1.021) 2.663 14.375 ( 1.122 -1.714 1.972) 2.843 14.415 ( 0.281 -1.308 -1.152) 1.766 14.543 ( 2.160 4.300 2.750) 5.543 14.609 ( 0.429 -0.115 -0.988) 1.083 14.732 ( 1.032 9.690 3.696) 10.422 14.831 ( -0.719 6.342 -1.750) 6.618 14.895 ( -0.377 -1.589 3.818) 4.152 15.011 ( -0.860 -2.870 -3.757) 4.805 15.035 ( 2.928 -3.545 4.227) 6.246 15.071 ( 4.857 -5.094 3.507) 7.864 15.139 ( -2.099 -1.976 0.949) 3.035 15.186 ( 0.999 -9.563 2.333) 9.894 15.289 ( -0.726 -0.488 -3.544) 3.651 15.359 ( -1.720 -4.007 -5.402) 6.942 15.845 ( -1.243 3.061 -0.251) 3.313 15.907 ( -1.464 -1.884 -2.843) 3.712 16.215 ( 1.586 3.017 3.880) 5.165 16.265 ( 1.131 -1.730 -0.389) 2.103 16.468 ( -0.890 2.986 1.965) 3.684 16.501 ( 0.463 0.219 -1.167) 1.274 16.617 ( 1.818 0.279 -1.401) 2.312 16.663 ( 0.998 -3.670 -3.064) 4.884 16.871 ( 4.180 2.724 0.575) 5.023 16.891 ( 3.356 1.077 -0.303) 3.538 17.030 ( -8.609 -1.720 2.558) 9.144 17.066 ( -3.500 -4.891 0.155) 6.016 17.142 ( -1.879 2.858 -0.623) 3.477 17.225 ( -6.276 -3.152 0.026) 7.023 17.317 ( -3.905 -3.600 -3.019) 6.109 17.325 ( -2.439 -3.907 -3.408) 5.729 17.684 ( 5.870 0.086 0.789) 5.923 17.695 ( 5.915 -0.805 0.473) 5.988 17.943 ( -1.082 2.417 3.962) 4.766 17.970 ( -3.125 0.040 1.561) 3.493 18.134 ( 5.229 3.057 0.370) 6.068 18.168 ( 3.137 1.103 -1.735) 3.750 18.189 ( -0.586 3.077 -1.489) 3.468 18.263 ( 0.492 -1.777 -3.586) 4.032 18.421 ( -2.037 3.135 3.511) 5.129 18.460 ( -0.820 0.686 -0.831) 1.354 18.583 ( 1.837 1.340 1.478) 2.712 18.610 ( 0.227 -0.552 2.325) 2.401 18.687 ( -0.665 2.247 -2.680) 3.560 18.706 ( -2.018 0.998 -4.281) 4.837 18.975 ( -0.446 7.030 5.780) 9.112 19.059 ( 1.924 2.833 2.252) 4.099 19.187 ( 0.169 -1.575 -1.049) 1.900 19.275 ( 1.187 -6.103 -4.565) 7.713 19.974 ( -5.436 2.913 8.166) 10.233 20.031 ( -2.833 -2.086 2.980) 4.611 20.488 ( -1.446 0.634 -4.465) 4.737 20.531 ( 1.348 -2.883 -8.436) 9.016 21.457 ( -0.614 2.601 2.311) 3.534 21.499 ( 0.180 -1.135 -1.292) 1.729 22.574 ( -0.302 -0.544 1.684) 1.795 22.588 ( -1.855 -1.643 2.108) 3.254 ======================= Grid point 63 (38/39) ======================= q-point: (-0.40 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.784 ( -6.047 7.508 2.236) 9.896 1.855 ( -7.508 0.827 -1.063) 7.628 1.893 ( 1.364 0.695 -2.147) 2.637 1.922 ( 0.733 -1.918 0.964) 2.268 2.129 ( -2.703 4.046 2.498) 5.470 2.213 ( 1.621 -1.499 -0.792) 2.346 2.342 ( -2.479 11.455 12.169) 16.895 2.516 ( -5.635 -3.273 -3.509) 7.401 2.563 ( 4.172 3.251 -0.700) 5.336 2.642 ( 6.506 7.456 -5.233) 11.193 2.713 ( 1.592 -1.379 10.393) 10.604 2.795 ( 2.004 3.385 7.347) 8.334 2.857 ( -4.509 -3.187 -8.776) 10.368 2.948 ( -3.182 2.282 -13.231) 13.799 3.022 ( 4.263 -7.155 2.408) 8.670 3.107 ( -0.587 -7.400 -6.446) 9.832 3.187 ( -3.931 2.228 0.867) 4.601 3.255 ( 3.751 0.916 -2.472) 4.585 3.274 ( 5.019 -0.466 -1.154) 5.171 3.312 ( 1.159 -6.568 -0.694) 6.706 3.443 ( -1.836 -1.129 8.294) 8.569 3.483 ( -2.629 -1.995 5.947) 6.801 3.608 ( 4.016 0.592 -4.381) 5.973 3.669 ( 8.686 -4.474 -5.424) 11.175 3.866 ( 1.251 2.175 0.730) 2.613 3.932 ( 4.220 -2.559 -2.876) 5.712 4.016 ( -1.674 6.020 2.382) 6.687 4.057 ( -0.100 5.888 0.274) 5.895 4.135 ( -3.961 -2.842 -0.103) 4.876 4.142 ( -1.732 -0.187 -0.050) 1.742 4.291 ( -3.359 0.366 1.390) 3.654 4.334 ( -3.305 -2.106 -0.372) 3.936 4.393 ( 3.387 3.009 7.237) 8.538 4.413 ( 4.159 1.013 5.689) 7.120 4.547 ( -2.384 1.664 3.822) 4.802 4.572 ( -3.981 -0.703 1.855) 4.447 4.736 ( -4.966 4.435 1.488) 6.823 4.801 ( 2.293 -1.489 -2.147) 3.477 4.919 ( -5.935 5.507 8.966) 12.081 5.038 ( -9.121 -3.950 6.723) 12.000 5.088 ( -6.910 6.553 -2.229) 9.780 5.196 ( -1.982 -2.493 2.697) 4.174 5.284 ( 5.002 -2.379 2.714) 6.168 5.298 ( 3.486 -0.833 -4.624) 5.850 5.466 ( 1.460 -0.371 -5.198) 5.412 5.478 ( 2.979 2.335 -3.500) 5.156 5.628 ( 4.761 1.864 3.764) 6.349 5.676 ( 4.718 1.489 -1.653) 5.216 5.899 ( 0.411 0.889 -0.597) 1.148 5.905 ( 1.417 1.218 0.177) 1.877 6.039 ( 0.793 1.572 1.586) 2.370 6.061 ( -1.690 1.257 -3.056) 3.711 6.106 ( -2.241 3.553 5.434) 6.869 6.164 ( -0.919 -0.857 0.602) 1.393 6.325 ( -4.334 2.602 -0.181) 5.058 6.369 ( -6.501 -2.280 -1.905) 7.148 6.376 ( -0.254 2.433 4.133) 4.803 6.385 ( -0.203 0.029 -0.040) 0.209 6.440 ( 3.746 -2.956 -3.220) 5.757 6.483 ( 1.160 -5.475 -2.224) 6.022 6.529 ( 5.249 -0.707 -1.925) 5.635 6.539 ( 5.523 -1.337 -4.048) 6.977 6.587 ( -0.091 3.367 3.264) 4.690 6.613 ( 0.113 1.802 1.723) 2.496 6.709 ( 1.985 2.494 1.735) 3.629 6.737 ( 0.145 1.145 -0.200) 1.171 6.802 ( 2.347 4.669 -0.465) 5.246 6.846 ( 1.003 3.347 -4.562) 5.746 6.931 ( -1.031 2.226 3.212) 4.041 6.966 ( -1.908 -0.099 -2.431) 3.092 7.067 ( -0.212 -0.961 -1.354) 1.674 7.073 ( 0.612 -2.083 -2.077) 3.004 7.109 ( -5.874 -5.008 0.738) 7.754 7.165 ( -2.483 -1.431 3.258) 4.339 7.176 ( 0.751 -0.992 -0.612) 1.386 7.201 ( -2.548 2.779 -1.581) 4.088 7.258 ( 0.597 -3.295 2.292) 4.058 7.322 ( 3.813 -7.111 -3.351) 8.737 7.396 ( -0.770 1.050 -1.047) 1.670 7.411 ( 0.131 -0.585 0.450) 0.750 7.469 ( -1.240 2.998 5.552) 6.431 7.527 ( 0.219 -2.507 3.816) 4.571 7.537 ( -0.288 0.059 -1.176) 1.212 7.577 ( 2.346 -2.601 5.261) 6.320 7.721 ( 0.061 1.676 4.205) 4.527 7.756 ( -0.450 -0.199 1.486) 1.566 7.771 ( 1.405 -0.632 -0.027) 1.541 7.820 ( -2.854 -2.665 -4.943) 6.299 7.842 ( 0.253 0.444 -5.291) 5.316 7.875 ( -3.890 -0.865 -5.529) 6.815 7.893 ( 3.883 0.685 -5.276) 6.586 7.937 ( 3.870 -1.831 -3.308) 5.410 7.984 ( 3.067 -1.233 -2.725) 4.284 7.991 ( 3.581 -1.913 -4.894) 6.359 8.128 ( -1.854 0.030 3.291) 3.777 8.143 ( -2.060 -0.662 0.533) 2.229 8.185 ( -1.299 1.349 4.803) 5.155 8.242 ( 0.827 -2.313 -0.186) 2.464 8.344 ( -0.849 3.192 -2.767) 4.309 8.394 ( 0.277 -0.352 -1.075) 1.164 8.421 ( 1.129 0.232 -0.175) 1.166 8.471 ( 1.583 -0.645 -0.501) 1.781 8.477 ( -1.568 -2.458 -4.637) 5.477 8.526 ( 3.518 -1.781 1.260) 4.140 8.592 ( 1.113 -2.111 1.574) 2.859 8.633 ( -0.969 -4.200 -3.920) 5.826 8.714 ( 1.795 4.177 4.178) 6.175 8.807 ( 2.322 -3.208 -2.798) 4.849 8.852 ( -0.459 2.881 -1.365) 3.221 8.925 ( 1.781 -2.417 -4.031) 5.026 9.062 ( -3.096 3.682 6.064) 7.741 9.095 ( -1.354 1.216 5.121) 5.435 9.123 ( -1.725 -0.750 -0.847) 2.063 9.166 ( -0.002 -1.145 1.296) 1.729 9.214 ( 1.327 1.657 -1.048) 2.367 9.240 ( -0.456 1.464 -0.766) 1.714 9.275 ( -0.133 -1.023 -3.896) 4.030 9.301 ( 1.691 -2.541 -2.372) 3.866 9.394 ( -1.896 0.752 0.694) 2.155 9.412 ( -1.033 0.729 0.656) 1.425 9.574 ( -4.341 -1.481 -0.128) 4.588 9.598 ( -5.726 -3.934 1.768) 7.169 9.667 ( -0.975 -0.952 2.578) 2.916 9.675 ( -0.961 -1.497 2.512) 3.078 9.759 ( 5.550 -0.066 -2.440) 6.063 9.795 ( 3.215 -3.026 -2.996) 5.336 10.086 ( -3.523 1.824 2.284) 4.578 10.112 ( -3.985 -0.277 2.738) 4.843 10.170 ( 2.517 1.791 -0.179) 3.094 10.209 ( 2.216 -1.392 -0.510) 2.666 10.689 ( 1.494 1.443 2.217) 3.039 10.694 ( -0.349 1.106 -0.380) 1.221 10.879 ( -2.449 3.730 0.082) 4.463 10.921 ( 1.262 -0.039 -0.307) 1.299 11.230 ( 0.810 1.863 3.231) 3.817 11.255 ( 0.816 0.028 1.422) 1.639 11.386 ( 0.840 -0.752 0.329) 1.175 11.393 ( 0.409 -1.067 -0.266) 1.173 11.664 ( -0.535 -0.572 1.108) 1.357 11.677 ( -0.913 -2.030 2.091) 3.054 11.702 ( 0.941 -0.423 -1.350) 1.700 11.717 ( 0.262 -2.005 -1.147) 2.325 12.051 ( -1.788 1.833 1.987) 3.242 12.090 ( -0.262 -0.716 3.306) 3.393 12.130 ( 2.013 1.120 -2.745) 3.583 12.168 ( 0.520 -2.071 -2.883) 3.587 12.210 ( -0.608 0.377 1.088) 1.302 12.219 ( -0.578 -0.140 0.093) 0.602 12.317 ( -0.894 2.535 2.700) 3.809 12.353 ( -0.013 0.664 -0.359) 0.755 12.389 ( -1.673 0.802 5.231) 5.550 12.418 ( -0.187 -2.473 3.230) 4.072 12.479 ( 0.468 1.502 -3.257) 3.618 12.488 ( -0.803 0.524 -3.044) 3.192 12.629 ( -1.969 0.231 -0.305) 2.006 12.653 ( -1.683 -1.642 0.153) 2.357 12.718 ( -1.751 -2.603 -0.546) 3.185 12.725 ( -1.081 -3.090 -1.006) 3.425 12.790 ( 1.057 -0.185 0.139) 1.082 12.809 ( 2.850 -0.996 -1.042) 3.194 12.876 ( -0.597 1.663 -2.189) 2.813 12.909 ( 3.910 -1.202 -0.550) 4.128 12.958 ( 0.990 0.037 2.659) 2.837 12.991 ( -0.604 -0.861 -1.829) 2.110 13.075 ( -1.099 -0.621 -1.974) 2.343 13.085 ( 1.988 -0.931 1.645) 2.743 13.175 ( -0.103 -0.441 0.567) 0.725 13.205 ( 1.565 -3.132 -0.794) 3.590 13.423 ( -0.132 0.802 5.711) 5.769 13.455 ( -0.057 -1.585 3.455) 3.801 13.572 ( 1.032 0.889 -1.734) 2.205 13.595 ( -1.024 -0.630 -4.944) 5.088 13.719 ( -0.216 1.146 2.301) 2.580 13.747 ( 0.662 -1.456 0.022) 1.600 13.868 ( -1.839 2.870 -0.647) 3.470 13.884 ( -0.183 1.264 -0.589) 1.406 13.941 ( -0.487 1.540 0.870) 1.835 13.978 ( 1.691 -0.147 0.314) 1.727 14.101 ( -0.270 1.732 0.382) 1.794 14.134 ( 0.243 0.080 0.038) 0.259 14.208 ( -0.854 4.584 -0.492) 4.688 14.257 ( 1.596 2.582 -1.063) 3.216 14.288 ( -1.032 4.970 1.105) 5.195 14.319 ( 0.908 3.981 -1.031) 4.212 14.396 ( 0.396 -1.359 0.514) 1.506 14.414 ( 0.160 -1.636 -1.463) 2.201 14.563 ( -1.705 3.025 1.812) 3.916 14.601 ( -0.386 0.356 -0.707) 0.880 14.745 ( -1.853 7.565 2.370) 8.141 14.833 ( 2.604 7.955 -1.886) 8.580 14.914 ( -0.465 -3.315 3.671) 4.968 14.981 ( 0.198 -5.272 -2.632) 5.896 15.068 ( -4.380 -3.878 0.660) 5.887 15.078 ( -2.301 -1.096 3.036) 3.964 15.148 ( 1.118 -0.922 5.128) 5.329 15.236 ( 1.085 -6.949 -4.913) 8.579 15.264 ( 1.371 -1.403 -0.510) 2.026 15.310 ( 0.381 -5.553 -3.359) 6.501 15.845 ( 0.599 0.819 2.378) 2.586 15.870 ( -0.519 -1.492 -2.712) 3.139 16.245 ( 0.036 2.649 1.473) 3.031 16.277 ( 0.722 -0.103 -1.615) 1.772 16.445 ( -2.215 3.000 2.764) 4.642 16.496 ( -0.891 -1.098 0.404) 1.470 16.651 ( 1.824 -0.089 -3.401) 3.860 16.677 ( 2.915 -1.407 -4.870) 5.847 16.861 ( -3.976 3.587 1.050) 5.457 16.917 ( -2.002 1.555 -2.005) 3.232 17.021 ( 5.100 -2.951 3.511) 6.859 17.066 ( 5.911 -2.592 -0.532) 6.476 17.145 ( -0.697 -1.783 -1.440) 2.395 17.176 ( 1.865 -5.102 4.821) 7.263 17.277 ( 3.230 1.785 -1.984) 4.190 17.358 ( 5.748 -5.548 -3.413) 8.688 17.682 ( -7.762 -0.377 1.307) 7.881 17.688 ( -6.952 -1.206 0.911) 7.115 17.911 ( -1.563 2.841 4.948) 5.916 17.951 ( -0.485 -0.774 3.774) 3.883 18.171 ( 1.473 2.097 -2.518) 3.593 18.192 ( 3.107 -0.050 -0.913) 3.238 18.210 ( -0.812 2.777 -0.933) 3.040 18.227 ( -4.265 1.043 -5.304) 6.886 18.409 ( -0.855 4.616 3.048) 5.597 18.467 ( 0.885 -0.360 0.977) 1.366 18.610 ( 0.625 3.082 -1.288) 3.399 18.644 ( 1.845 0.913 1.635) 2.629 18.663 ( 0.406 1.107 -0.985) 1.536 18.680 ( 1.769 -0.712 -4.123) 4.542 19.004 ( 0.502 6.770 5.447) 8.703 19.092 ( 1.292 4.930 -3.761) 6.334 19.164 ( -2.850 -3.810 3.995) 6.213 19.249 ( -1.378 -5.897 -4.619) 7.616 19.975 ( 1.771 4.079 7.831) 9.005 20.057 ( 4.028 -2.791 1.658) 5.173 20.447 ( -0.806 2.221 -2.598) 3.512 20.528 ( 2.287 -4.490 -7.050) 8.665 21.458 ( -0.613 2.408 2.447) 3.487 21.495 ( 0.083 -0.827 -1.087) 1.368 22.571 ( -0.299 0.156 1.774) 1.806 22.604 ( 2.170 -2.777 0.826) 3.620 ======================= Grid point 64 (39/39) ======================= q-point: (-0.20 0.40 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 63 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.699 ( -4.919 6.811 0.656) 8.427 1.714 ( -4.242 6.258 4.347) 8.721 1.846 ( -4.950 3.483 4.423) 7.496 1.935 ( -0.780 -1.484 -1.350) 2.153 2.087 ( -4.804 5.187 -0.314) 7.077 2.217 ( -0.970 -3.852 -3.732) 5.451 2.312 ( -8.890 5.144 1.144) 10.334 2.341 ( -3.074 -0.445 -4.820) 5.734 2.521 ( -4.596 2.292 -0.938) 5.220 2.666 ( -9.637 -4.600 -7.548) 13.076 2.743 ( 1.861 4.333 -3.489) 5.866 2.784 ( 0.567 5.158 -3.524) 6.273 2.829 ( 4.061 0.184 3.973) 5.684 2.886 ( 2.686 -1.264 -0.166) 2.973 3.070 ( -2.040 0.249 0.506) 2.117 3.100 ( -1.044 2.590 -1.357) 3.105 3.173 ( 2.855 -8.316 0.341) 8.799 3.219 ( 5.935 -5.993 1.619) 8.588 3.392 ( 7.136 3.079 3.165) 8.392 3.471 ( 9.539 -4.391 -0.366) 10.507 3.528 ( 7.292 3.390 0.754) 8.076 3.600 ( 12.303 -2.058 2.405) 12.703 3.738 ( 7.518 2.198 -2.622) 8.260 3.795 ( 6.143 -2.302 -3.959) 7.663 3.843 ( -6.691 7.839 7.311) 12.636 3.972 ( -2.961 2.534 3.212) 5.050 3.988 ( -6.671 0.327 -1.184) 6.783 4.011 ( -2.617 -5.377 -0.068) 5.980 4.124 ( 4.236 3.138 1.005) 5.367 4.161 ( 2.432 1.578 5.500) 6.218 4.257 ( -3.326 3.921 2.609) 5.766 4.302 ( 0.604 -0.399 -0.081) 0.729 4.430 ( -6.148 1.762 5.464) 8.412 4.477 ( -3.987 -2.215 3.229) 5.588 4.499 ( -1.136 5.283 5.342) 7.599 4.573 ( 6.780 1.691 5.708) 9.023 4.668 ( 0.666 -0.140 -0.916) 1.141 4.723 ( -10.033 -4.965 0.099) 11.194 4.888 ( -2.663 4.637 3.389) 6.331 4.948 ( -1.433 6.439 -2.154) 6.939 4.996 ( -1.202 -5.378 3.326) 6.437 5.106 ( -5.218 -5.581 2.597) 8.069 5.338 ( -1.603 -0.624 -2.004) 2.641 5.355 ( -0.103 -3.210 0.068) 3.213 5.439 ( -0.587 2.231 -6.491) 6.889 5.488 ( 2.115 -2.668 -4.280) 5.469 5.729 ( 4.387 5.418 5.328) 8.774 5.807 ( 8.072 -1.140 -0.868) 8.198 5.897 ( -0.803 3.664 -1.125) 3.916 5.952 ( 1.940 -0.928 0.115) 2.154 5.960 ( -1.991 4.770 -1.873) 5.498 6.057 ( -2.982 -3.416 -0.378) 4.551 6.079 ( 0.610 -0.356 0.212) 0.737 6.174 ( -0.101 -1.998 4.973) 5.360 6.245 ( -2.903 -2.274 -1.453) 3.964 6.277 ( -1.690 -1.902 1.168) 2.800 6.360 ( -1.779 2.985 0.559) 3.520 6.414 ( 1.169 4.620 -2.390) 5.331 6.475 ( -0.579 -5.778 -5.740) 8.165 6.479 ( 2.000 0.206 -3.351) 3.908 6.576 ( -0.237 2.334 -3.007) 3.814 6.591 ( 2.673 -0.279 -1.439) 3.049 6.636 ( -1.463 2.545 3.969) 4.936 6.664 ( 1.064 0.678 4.256) 4.439 6.701 ( 2.151 4.962 -1.849) 5.715 6.775 ( 3.527 0.516 -1.389) 3.825 6.845 ( 1.477 -1.120 -1.886) 2.645 6.868 ( 1.926 0.396 -2.923) 3.523 6.899 ( -1.232 3.975 -0.079) 4.163 6.946 ( 0.400 0.742 0.975) 1.289 7.004 ( -3.619 -5.403 2.142) 6.847 7.009 ( -4.133 -3.105 -1.412) 5.359 7.074 ( -2.432 -4.846 0.090) 5.423 7.116 ( 3.356 -4.841 -0.577) 5.919 7.160 ( -2.645 2.473 1.076) 3.778 7.225 ( 0.918 3.058 1.326) 3.458 7.256 ( 0.064 -4.100 -0.433) 4.124 7.330 ( -0.992 -2.296 1.192) 2.771 7.387 ( -0.359 1.501 -0.414) 1.599 7.430 ( 0.499 -0.523 1.135) 1.346 7.494 ( 1.842 2.136 -0.214) 2.828 7.537 ( -1.482 -1.062 2.943) 3.462 7.566 ( 0.461 0.059 -0.917) 1.028 7.599 ( 0.658 -1.842 0.499) 2.018 7.673 ( -3.818 4.665 1.366) 6.181 7.723 ( -2.097 -1.079 0.152) 2.363 7.755 ( -1.520 -1.527 -0.936) 2.349 7.786 ( -1.957 -3.728 -1.596) 4.502 7.862 ( 4.687 1.735 0.691) 5.045 7.930 ( 4.986 -3.147 1.173) 6.011 7.945 ( 2.608 0.313 -1.997) 3.300 7.954 ( 0.711 -0.397 -4.444) 4.518 8.014 ( 2.482 -0.982 -3.854) 4.688 8.021 ( 2.111 -2.174 -5.443) 6.230 8.101 ( -2.551 0.669 3.165) 4.120 8.130 ( -1.762 -1.832 2.869) 3.833 8.190 ( 0.047 1.831 4.543) 4.898 8.234 ( 0.011 -0.983 0.083) 0.986 8.350 ( 2.207 0.075 -10.206) 10.442 8.366 ( -0.051 -2.506 -5.984) 6.488 8.441 ( 2.061 0.124 -1.358) 2.472 8.448 ( 2.948 0.060 1.623) 3.366 8.528 ( 1.766 1.590 0.222) 2.387 8.574 ( 0.138 -2.019 0.901) 2.215 8.621 ( 3.510 0.187 -1.320) 3.754 8.658 ( 1.396 -1.345 -0.200) 1.948 8.792 ( 3.351 1.023 4.390) 5.617 8.828 ( 1.012 -0.101 -2.056) 2.294 8.878 ( 3.078 2.560 2.382) 4.659 8.925 ( 0.063 -0.809 -2.343) 2.479 9.007 ( -5.177 0.647 -1.213) 5.357 9.009 ( -4.656 2.462 1.053) 5.371 9.047 ( -3.210 -0.175 -0.499) 3.253 9.116 ( -4.332 -3.581 0.179) 5.623 9.215 ( -2.860 0.039 -0.323) 2.878 9.223 ( -2.506 -0.344 -4.022) 4.751 9.271 ( 1.873 0.433 3.614) 4.093 9.300 ( 0.508 -1.787 1.066) 2.142 9.425 ( 0.552 3.768 1.101) 3.965 9.444 ( 4.418 0.755 -2.384) 5.076 9.500 ( -0.577 -3.441 -1.984) 4.013 9.525 ( -3.145 -3.774 1.954) 5.287 9.625 ( -5.824 -0.344 3.036) 6.577 9.648 ( -4.185 -2.396 2.133) 5.273 9.816 ( 0.563 -0.074 -0.062) 0.571 9.831 ( 3.043 -1.241 -2.180) 3.944 10.073 ( 0.945 1.552 4.138) 4.519 10.103 ( 1.590 -1.291 2.298) 3.078 10.200 ( 0.804 0.930 -0.068) 1.232 10.226 ( 0.064 -1.179 -0.833) 1.445 10.698 ( 0.888 3.303 0.000) 3.421 10.740 ( 2.531 -0.503 2.189) 3.384 10.819 ( -3.418 5.711 -0.788) 6.702 10.912 ( -1.602 -2.634 -1.484) 3.421 11.273 ( 1.707 1.042 3.063) 3.658 11.294 ( 1.662 -0.775 2.406) 3.025 11.395 ( 0.880 1.184 -0.255) 1.498 11.419 ( 1.404 -0.953 -0.466) 1.760 11.663 ( -0.225 -0.623 1.298) 1.457 11.676 ( -0.321 -1.721 2.403) 2.974 11.704 ( 0.063 -0.120 -1.472) 1.478 11.724 ( 0.774 -1.830 -1.207) 2.325 12.029 ( -0.754 2.008 1.015) 2.373 12.085 ( -1.738 -2.786 0.281) 3.296 12.133 ( 0.371 2.197 0.392) 2.262 12.178 ( 1.316 -1.728 -2.427) 3.257 12.200 ( -1.635 0.895 2.523) 3.137 12.221 ( 0.439 -0.779 0.431) 0.993 12.313 ( -0.669 2.491 0.242) 2.591 12.360 ( -0.781 -0.162 3.034) 3.137 12.389 ( 0.067 0.785 2.968) 3.071 12.424 ( 0.119 -1.415 3.185) 3.487 12.461 ( -0.494 -0.621 -0.201) 0.819 12.490 ( -0.019 -1.706 -1.193) 2.082 12.581 ( -1.899 2.872 -0.548) 3.487 12.617 ( -1.553 1.391 -2.630) 3.356 12.675 ( -1.837 -5.317 -0.148) 5.628 12.682 ( -1.398 -4.768 -1.087) 5.087 12.806 ( 0.211 0.983 -0.128) 1.014 12.845 ( 1.087 -2.067 -1.501) 2.776 12.882 ( 1.250 1.480 -0.983) 2.172 12.929 ( -0.979 -2.163 -0.327) 2.396 12.984 ( 1.691 1.141 -0.380) 2.076 13.011 ( 2.661 -0.837 -0.617) 2.857 13.084 ( 2.042 3.382 -0.342) 3.965 13.147 ( 2.159 0.711 2.367) 3.281 13.183 ( 0.827 -1.809 0.007) 1.989 13.203 ( -1.191 -3.296 -1.099) 3.673 13.452 ( -0.145 1.079 5.296) 5.406 13.485 ( 2.114 -1.758 2.816) 3.935 13.554 ( 0.001 1.475 -4.831) 5.051 13.575 ( 0.114 -0.331 -1.648) 1.685 13.729 ( -0.371 -0.741 0.975) 1.279 13.744 ( -0.711 -2.121 -1.471) 2.678 13.830 ( -1.520 2.428 0.307) 2.881 13.862 ( -0.921 -0.081 -0.761) 1.197 13.958 ( 0.935 2.928 0.858) 3.191 14.006 ( -0.119 -0.282 1.757) 1.783 14.099 ( -0.070 3.324 0.745) 3.408 14.151 ( 1.813 1.436 0.716) 2.421 14.206 ( 0.445 6.299 -0.222) 6.318 14.273 ( 0.084 0.512 0.184) 0.550 14.279 ( -0.001 4.245 0.351) 4.260 14.347 ( 2.478 3.898 0.032) 4.619 14.377 ( -2.306 -0.310 -1.823) 2.956 14.426 ( 1.967 -1.807 -0.149) 2.675 14.524 ( -2.483 0.052 -0.222) 2.494 14.562 ( -3.615 -1.875 -0.291) 4.083 14.727 ( -0.107 6.123 0.551) 6.149 14.840 ( -3.228 9.705 0.490) 10.239 14.905 ( -1.592 -6.107 1.865) 6.581 14.992 ( -0.448 0.562 -2.205) 2.319 15.001 ( 0.752 -3.237 0.067) 3.324 15.025 ( -3.406 -3.640 1.831) 5.311 15.165 ( -1.522 1.766 0.321) 2.353 15.188 ( -0.848 -4.136 -5.701) 7.094 15.287 ( 1.612 -4.602 1.595) 5.130 15.372 ( 3.713 -9.125 0.743) 9.880 15.869 ( 1.374 0.195 -0.639) 1.528 15.875 ( 0.488 0.287 3.802) 3.844 16.229 ( -1.655 2.685 -1.756) 3.610 16.268 ( -0.045 -0.636 -5.153) 5.192 16.430 ( -0.615 2.556 2.759) 3.811 16.480 ( -0.689 -1.252 0.307) 1.462 16.661 ( 1.028 0.725 -2.076) 2.427 16.701 ( 1.880 -1.854 -4.253) 5.006 16.792 ( -3.671 2.030 -1.242) 4.375 16.835 ( -4.276 -1.737 -3.230) 5.633 17.147 ( 5.080 0.102 2.328) 5.589 17.193 ( 6.726 -2.956 1.106) 7.430 17.242 ( 9.164 1.966 5.701) 10.970 17.316 ( 10.982 -1.832 3.993) 11.828 17.344 ( 3.734 0.805 -2.117) 4.367 17.445 ( 0.980 -6.298 -0.121) 6.375 17.529 ( -4.202 -0.794 0.489) 4.304 17.565 ( -4.638 -3.932 0.015) 6.080 17.891 ( -4.120 2.558 4.703) 6.755 17.917 ( -6.036 0.325 5.067) 7.887 18.063 ( -6.730 3.313 -8.136) 11.066 18.099 ( -6.264 0.336 -4.479) 7.708 18.246 ( 3.989 2.049 0.785) 4.552 18.274 ( 4.301 -0.575 -0.109) 4.340 18.392 ( -1.780 3.451 1.589) 4.196 18.451 ( -3.633 -1.815 2.312) 4.673 18.627 ( 2.736 4.753 -2.811) 6.163 18.675 ( 0.008 2.493 -0.067) 2.494 18.692 ( 1.990 1.141 1.204) 2.591 18.714 ( 3.020 -1.150 -3.345) 4.651 19.034 ( -1.093 6.816 0.059) 6.903 19.058 ( 0.065 5.074 -1.975) 5.445 19.157 ( -0.222 -4.446 3.552) 5.695 19.190 ( -3.054 -5.636 -1.738) 6.641 20.088 ( 5.271 2.362 5.705) 8.119 20.153 ( 3.573 -3.066 2.145) 5.174 20.449 ( 2.995 4.159 -2.948) 5.912 20.542 ( 2.125 -3.998 -5.484) 7.111 21.459 ( -0.182 1.701 1.582) 2.330 21.492 ( -0.089 -1.088 -0.604) 1.247 22.591 ( 1.185 1.195 2.078) 2.674 22.647 ( 1.441 -3.955 0.542) 4.244 =================== 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 3/30000 10.0 478.396 434.840 498.250 0.000 56.270 0.000 3/30000 20.0 60.060 60.388 56.741 0.000 8.524 0.000 3/30000 30.0 22.802 22.412 21.975 0.000 3.360 0.000 3/30000 40.0 13.142 12.504 12.708 0.000 1.793 0.000 3/30000 50.0 9.089 8.403 8.741 0.000 1.122 0.000 3/30000 60.0 6.911 6.248 6.603 0.000 0.776 0.000 3/30000 70.0 5.562 4.944 5.287 0.000 0.576 0.000 3/30000 80.0 4.649 4.079 4.404 0.000 0.449 0.000 3/30000 90.0 3.990 3.466 3.771 0.000 0.363 0.000 3/30000 100.0 3.492 3.012 3.298 0.000 0.303 0.000 3/30000 110.0 3.103 2.661 2.930 0.000 0.258 0.000 3/30000 120.0 2.791 2.383 2.636 0.000 0.224 0.000 3/30000 130.0 2.536 2.158 2.395 0.000 0.197 0.000 3/30000 140.0 2.322 1.972 2.195 0.000 0.175 0.000 3/30000 150.0 2.142 1.815 2.026 0.000 0.158 0.000 3/30000 160.0 1.987 1.682 1.882 0.000 0.143 0.000 3/30000 170.0 1.854 1.567 1.756 0.000 0.131 0.000 3/30000 180.0 1.737 1.467 1.647 0.000 0.121 0.000 3/30000 190.0 1.634 1.380 1.551 0.000 0.112 0.000 3/30000 200.0 1.543 1.302 1.465 0.000 0.104 0.000 3/30000 210.0 1.461 1.233 1.389 0.000 0.097 0.000 3/30000 220.0 1.388 1.171 1.320 0.000 0.091 0.000 3/30000 230.0 1.322 1.115 1.258 0.000 0.086 0.000 3/30000 240.0 1.262 1.065 1.202 0.000 0.081 0.000 3/30000 250.0 1.207 1.019 1.150 0.000 0.077 0.000 3/30000 260.0 1.157 0.977 1.103 0.000 0.073 0.000 3/30000 270.0 1.111 0.938 1.060 0.000 0.070 0.000 3/30000 280.0 1.069 0.902 1.020 0.000 0.067 0.000 3/30000 290.0 1.030 0.869 0.983 0.000 0.064 0.000 3/30000 300.0 0.993 0.838 0.948 0.000 0.061 0.000 3/30000 310.0 0.959 0.810 0.916 0.000 0.059 0.000 3/30000 320.0 0.928 0.783 0.887 0.000 0.056 0.000 3/30000 330.0 0.898 0.758 0.859 0.000 0.054 0.000 3/30000 340.0 0.871 0.735 0.832 0.000 0.052 0.000 3/30000 350.0 0.845 0.713 0.808 0.000 0.051 0.000 3/30000 360.0 0.820 0.693 0.785 0.000 0.049 0.000 3/30000 370.0 0.797 0.673 0.763 0.000 0.047 0.000 3/30000 380.0 0.775 0.655 0.742 0.000 0.046 0.000 3/30000 390.0 0.755 0.638 0.723 0.000 0.044 0.000 3/30000 400.0 0.735 0.621 0.704 0.000 0.043 0.000 3/30000 410.0 0.717 0.606 0.686 0.000 0.042 0.000 3/30000 420.0 0.699 0.591 0.670 0.000 0.041 0.000 3/30000 430.0 0.682 0.577 0.654 0.000 0.040 0.000 3/30000 440.0 0.666 0.563 0.639 0.000 0.039 0.000 3/30000 450.0 0.651 0.550 0.624 0.000 0.038 0.000 3/30000 460.0 0.637 0.538 0.610 0.000 0.037 0.000 3/30000 470.0 0.623 0.526 0.597 0.000 0.036 0.000 3/30000 480.0 0.609 0.515 0.584 0.000 0.035 0.000 3/30000 490.0 0.597 0.504 0.572 0.000 0.034 0.000 3/30000 500.0 0.585 0.494 0.561 0.000 0.033 0.000 3/30000 510.0 0.573 0.484 0.550 0.000 0.033 0.000 3/30000 520.0 0.562 0.475 0.539 0.000 0.032 0.000 3/30000 530.0 0.551 0.466 0.529 0.000 0.031 0.000 3/30000 540.0 0.540 0.457 0.519 0.000 0.031 0.000 3/30000 550.0 0.530 0.449 0.509 0.000 0.030 0.000 3/30000 560.0 0.521 0.440 0.500 0.000 0.030 0.000 3/30000 570.0 0.512 0.433 0.491 0.000 0.029 0.000 3/30000 580.0 0.503 0.425 0.482 0.000 0.028 0.000 3/30000 590.0 0.494 0.418 0.474 0.000 0.028 0.000 3/30000 600.0 0.486 0.411 0.466 0.000 0.027 0.000 3/30000 610.0 0.478 0.404 0.458 0.000 0.027 0.000 3/30000 620.0 0.470 0.397 0.451 0.000 0.026 0.000 3/30000 630.0 0.462 0.391 0.444 0.000 0.026 0.000 3/30000 640.0 0.455 0.385 0.437 0.000 0.026 0.000 3/30000 650.0 0.448 0.379 0.430 0.000 0.025 0.000 3/30000 660.0 0.441 0.373 0.423 0.000 0.025 0.000 3/30000 670.0 0.434 0.367 0.417 0.000 0.024 0.000 3/30000 680.0 0.428 0.362 0.411 0.000 0.024 0.000 3/30000 690.0 0.422 0.357 0.405 0.000 0.024 0.000 3/30000 700.0 0.415 0.351 0.399 0.000 0.023 0.000 3/30000 710.0 0.410 0.346 0.393 0.000 0.023 0.000 3/30000 720.0 0.404 0.342 0.388 0.000 0.023 0.000 3/30000 730.0 0.398 0.337 0.383 0.000 0.022 0.000 3/30000 740.0 0.393 0.332 0.377 0.000 0.022 0.000 3/30000 750.0 0.387 0.328 0.372 0.000 0.022 0.000 3/30000 760.0 0.382 0.323 0.367 0.000 0.021 0.000 3/30000 770.0 0.377 0.319 0.363 0.000 0.021 0.000 3/30000 780.0 0.372 0.315 0.358 0.000 0.021 0.000 3/30000 790.0 0.368 0.311 0.353 0.000 0.020 0.000 3/30000 800.0 0.363 0.307 0.349 0.000 0.020 0.000 3/30000 810.0 0.359 0.303 0.345 0.000 0.020 0.000 3/30000 820.0 0.354 0.300 0.340 0.000 0.020 0.000 3/30000 830.0 0.350 0.296 0.336 0.000 0.019 0.000 3/30000 840.0 0.346 0.292 0.332 0.000 0.019 0.000 3/30000 850.0 0.342 0.289 0.328 0.000 0.019 0.000 3/30000 860.0 0.338 0.286 0.324 0.000 0.019 0.000 3/30000 870.0 0.334 0.282 0.321 0.000 0.018 0.000 3/30000 880.0 0.330 0.279 0.317 0.000 0.018 0.000 3/30000 890.0 0.326 0.276 0.313 0.000 0.018 0.000 3/30000 900.0 0.322 0.273 0.310 0.000 0.018 0.000 3/30000 910.0 0.319 0.270 0.307 0.000 0.018 0.000 3/30000 920.0 0.315 0.267 0.303 0.000 0.017 0.000 3/30000 930.0 0.312 0.264 0.300 0.000 0.017 0.000 3/30000 940.0 0.309 0.261 0.297 0.000 0.017 0.000 3/30000 950.0 0.305 0.258 0.294 0.000 0.017 0.000 3/30000 960.0 0.302 0.256 0.290 0.000 0.017 0.000 3/30000 970.0 0.299 0.253 0.287 0.000 0.016 0.000 3/30000 980.0 0.296 0.250 0.285 0.000 0.016 0.000 3/30000 990.0 0.293 0.248 0.282 0.000 0.016 0.000 3/30000 1000.0 0.290 0.245 0.279 0.000 0.016 0.000 3/30000 Thermal conductivity related properties were written into "kappa-m555.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 08:59:26]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|