----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 20:18:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.360290060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.879781570000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.955982340000002 Atomic positions (fractional): *1 O 0.87128530913094 0.05585077025476 0.32269669397291 15.999 2 O 0.37128530913094 0.44414922974524 0.67730330602709 15.999 3 O 0.62871469086906 0.94414922974524 0.82269669397291 15.999 4 O 0.12871469086906 0.55585077025476 0.17730330602709 15.999 5 O 0.12871469086906 0.94414922974524 0.67730330602709 15.999 6 O 0.62871469086906 0.55585077025476 0.32269669397291 15.999 7 O 0.37128530913094 0.05585077025476 0.17730330602709 15.999 8 O 0.87128530913094 0.44414922974524 0.82269669397291 15.999 *9 O 0.83118138463118 0.06966957137456 0.01157668880277 15.999 10 O 0.33118138463118 0.43033042862544 0.98842331119723 15.999 11 O 0.66881861536882 0.93033042862544 0.51157668880277 15.999 12 O 0.16881861536882 0.56966957137456 0.48842331119723 15.999 13 O 0.16881861536882 0.93033042862544 0.98842331119723 15.999 14 O 0.66881861536882 0.56966957137456 0.01157668880277 15.999 15 O 0.33118138463118 0.06966957137456 0.48842331119723 15.999 16 O 0.83118138463118 0.43033042862544 0.51157668880277 15.999 *17 O 0.68347586151901 0.93505221441941 0.16208005648454 15.999 18 O 0.18347586151901 0.56494778558059 0.83791994351545 15.999 19 O 0.81652413848099 0.06494778558059 0.66208005648455 15.999 *20 O 0.46626524374838 0.18755959804250 0.98408808117153 15.999 21 O 0.31652413848099 0.43505221441941 0.33791994351546 15.999 22 O 0.81652413848099 0.43505221441941 0.16208005648454 15.999 23 O 0.18347586151901 0.93505221441941 0.33791994351546 15.999 24 O 0.68347586151901 0.56494778558059 0.66208005648455 15.999 *25 O 0.66446454102460 0.19282882455221 0.29111735925166 15.999 26 O 0.16446454102460 0.30717117544779 0.70888264074833 15.999 27 O 0.83553545897540 0.80717117544779 0.79111735925167 15.999 28 O 0.33553545897540 0.69282882455221 0.20888264074834 15.999 29 O 0.33553545897540 0.80717117544779 0.70888264074833 15.999 30 O 0.83553545897540 0.69282882455221 0.29111735925166 15.999 31 O 0.16446454102460 0.19282882455221 0.20888264074834 15.999 32 O 0.66446454102460 0.30717117544779 0.79111735925167 15.999 *33 O 0.48216418716416 0.17855015255059 0.65960636989751 15.999 34 O 0.98216418716416 0.32144984744941 0.34039363010249 15.999 35 O 0.01783581283584 0.82144984744941 0.15960636989751 15.999 36 O 0.51783581283584 0.67855015255059 0.84039363010249 15.999 37 O 0.51783581283584 0.82144984744941 0.34039363010249 15.999 38 O 0.01783581283584 0.67855015255059 0.65960636989751 15.999 39 O 0.98216418716416 0.17855015255059 0.84039363010249 15.999 40 O 0.48216418716416 0.32144984744941 0.15960636989751 15.999 41 O 0.46626524374838 0.31244040195750 0.48408808117153 15.999 42 O 0.96626524374838 0.18755959804250 0.51591191882847 15.999 43 O 0.03373475625162 0.68755959804250 0.98408808117153 15.999 44 O 0.53373475625162 0.81244040195750 0.01591191882847 15.999 45 O 0.53373475625162 0.68755959804250 0.51591191882847 15.999 46 O 0.03373475625162 0.81244040195750 0.48408808117153 15.999 47 O 0.96626524374838 0.31244040195750 0.01591191882847 15.999 48 O 0.31652413848099 0.06494778558059 0.83791994351545 15.999 *49 Mg 0.15123237915669 0.12323414506866 0.65716308638945 24.305 50 Mg 0.65123237915669 0.37676585493135 0.34283691361055 24.305 51 Mg 0.34876762084331 0.87676585493134 0.15716308638945 24.305 52 Mg 0.84876762084331 0.62323414506866 0.84283691361055 24.305 53 Mg 0.84876762084331 0.87676585493134 0.34283691361055 24.305 54 Mg 0.34876762084331 0.62323414506866 0.65716308638945 24.305 55 Mg 0.65123237915669 0.12323414506866 0.84283691361055 24.305 56 Mg 0.15123237915669 0.37676585493135 0.15716308638945 24.305 *57 Mg 0.15921208951688 0.37777801477053 0.51277886735043 24.305 58 Mg 0.65921208951688 0.12222198522947 0.48722113264957 24.305 59 Mg 0.34078791048312 0.62222198522947 0.01277886735043 24.305 60 Mg 0.84078791048312 0.87777801477053 0.98722113264957 24.305 61 Mg 0.84078791048312 0.62222198522947 0.48722113264957 24.305 62 Mg 0.34078791048312 0.87777801477053 0.51277886735043 24.305 63 Mg 0.65921208951688 0.37777801477053 0.98722113264957 24.305 64 Mg 0.15921208951688 0.12222198522947 0.01277886735043 24.305 *65 Ge 0.46218468148087 0.27043280126251 0.65431024331934 72.640 66 Ge 0.96218468148087 0.22956719873750 0.34568975668065 72.640 67 Ge 0.03781531851913 0.72956719873749 0.15431024331935 72.640 68 Ge 0.53781531851913 0.77043280126251 0.84568975668066 72.640 69 Ge 0.53781531851913 0.72956719873749 0.34568975668065 72.640 70 Ge 0.03781531851913 0.77043280126251 0.65431024331934 72.640 71 Ge 0.96218468148087 0.27043280126251 0.84568975668066 72.640 72 Ge 0.46218468148087 0.22956719873750 0.15431024331935 72.640 *73 Ge 0.69402764623478 0.47232783465426 0.65985417796116 72.640 74 Ge 0.19402764623478 0.02767216534574 0.34014582203884 72.640 75 Ge 0.80597235376522 0.52767216534574 0.15985417796116 72.640 76 Ge 0.30597235376522 0.97232783465426 0.84014582203884 72.640 77 Ge 0.30597235376522 0.52767216534574 0.34014582203884 72.640 78 Ge 0.80597235376522 0.97232783465426 0.65985417796116 72.640 79 Ge 0.19402764623478 0.47232783465426 0.84014582203884 72.640 80 Ge 0.69402764623478 0.02767216534574 0.15985417796116 72.640 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.360290060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.879781570000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.955982340000002 Atomic positions (fractional): *1 O 0.87128530913094 0.05585077025476 0.32269669397291 15.999 > 1 2 O 0.37128530913094 0.44414922974524 0.67730330602709 15.999 > 2 3 O 0.62871469086906 0.94414922974524 0.82269669397291 15.999 > 3 4 O 0.12871469086906 0.55585077025476 0.17730330602709 15.999 > 4 5 O 0.12871469086906 0.94414922974524 0.67730330602709 15.999 > 5 6 O 0.62871469086906 0.55585077025476 0.32269669397291 15.999 > 6 7 O 0.37128530913094 0.05585077025476 0.17730330602709 15.999 > 7 8 O 0.87128530913094 0.44414922974524 0.82269669397291 15.999 > 8 *9 O 0.83118138463118 0.06966957137456 0.01157668880277 15.999 > 9 10 O 0.33118138463118 0.43033042862544 0.98842331119723 15.999 > 10 11 O 0.66881861536882 0.93033042862544 0.51157668880277 15.999 > 11 12 O 0.16881861536882 0.56966957137456 0.48842331119723 15.999 > 12 13 O 0.16881861536882 0.93033042862544 0.98842331119723 15.999 > 13 14 O 0.66881861536882 0.56966957137456 0.01157668880277 15.999 > 14 15 O 0.33118138463118 0.06966957137456 0.48842331119723 15.999 > 15 16 O 0.83118138463118 0.43033042862544 0.51157668880277 15.999 > 16 *17 O 0.68347586151901 0.93505221441941 0.16208005648454 15.999 > 17 18 O 0.18347586151901 0.56494778558059 0.83791994351545 15.999 > 18 19 O 0.81652413848099 0.06494778558059 0.66208005648455 15.999 > 19 *20 O 0.46626524374838 0.18755959804250 0.98408808117153 15.999 > 20 21 O 0.31652413848099 0.43505221441941 0.33791994351546 15.999 > 21 22 O 0.81652413848099 0.43505221441941 0.16208005648454 15.999 > 22 23 O 0.18347586151901 0.93505221441941 0.33791994351546 15.999 > 23 24 O 0.68347586151901 0.56494778558059 0.66208005648455 15.999 > 24 *25 O 0.66446454102460 0.19282882455221 0.29111735925166 15.999 > 25 26 O 0.16446454102460 0.30717117544779 0.70888264074833 15.999 > 26 27 O 0.83553545897540 0.80717117544779 0.79111735925167 15.999 > 27 28 O 0.33553545897540 0.69282882455221 0.20888264074834 15.999 > 28 29 O 0.33553545897540 0.80717117544779 0.70888264074833 15.999 > 29 30 O 0.83553545897540 0.69282882455221 0.29111735925166 15.999 > 30 31 O 0.16446454102460 0.19282882455221 0.20888264074834 15.999 > 31 32 O 0.66446454102460 0.30717117544779 0.79111735925167 15.999 > 32 *33 O 0.48216418716416 0.17855015255059 0.65960636989751 15.999 > 33 34 O 0.98216418716416 0.32144984744941 0.34039363010249 15.999 > 34 35 O 0.01783581283584 0.82144984744941 0.15960636989751 15.999 > 35 36 O 0.51783581283584 0.67855015255059 0.84039363010249 15.999 > 36 37 O 0.51783581283584 0.82144984744941 0.34039363010249 15.999 > 37 38 O 0.01783581283584 0.67855015255059 0.65960636989751 15.999 > 38 39 O 0.98216418716416 0.17855015255059 0.84039363010249 15.999 > 39 40 O 0.48216418716416 0.32144984744941 0.15960636989751 15.999 > 40 41 O 0.46626524374838 0.31244040195750 0.48408808117153 15.999 > 41 42 O 0.96626524374838 0.18755959804250 0.51591191882847 15.999 > 42 43 O 0.03373475625162 0.68755959804250 0.98408808117153 15.999 > 43 44 O 0.53373475625162 0.81244040195750 0.01591191882847 15.999 > 44 45 O 0.53373475625162 0.68755959804250 0.51591191882847 15.999 > 45 46 O 0.03373475625162 0.81244040195750 0.48408808117153 15.999 > 46 47 O 0.96626524374838 0.31244040195750 0.01591191882847 15.999 > 47 48 O 0.31652413848099 0.06494778558059 0.83791994351545 15.999 > 48 *49 Mg 0.15123237915669 0.12323414506866 0.65716308638945 24.305 > 49 50 Mg 0.65123237915669 0.37676585493135 0.34283691361055 24.305 > 50 51 Mg 0.34876762084331 0.87676585493134 0.15716308638945 24.305 > 51 52 Mg 0.84876762084331 0.62323414506866 0.84283691361055 24.305 > 52 53 Mg 0.84876762084331 0.87676585493134 0.34283691361055 24.305 > 53 54 Mg 0.34876762084331 0.62323414506866 0.65716308638945 24.305 > 54 55 Mg 0.65123237915669 0.12323414506866 0.84283691361055 24.305 > 55 56 Mg 0.15123237915669 0.37676585493135 0.15716308638945 24.305 > 56 *57 Mg 0.15921208951688 0.37777801477053 0.51277886735043 24.305 > 57 58 Mg 0.65921208951688 0.12222198522947 0.48722113264957 24.305 > 58 59 Mg 0.34078791048312 0.62222198522947 0.01277886735043 24.305 > 59 60 Mg 0.84078791048312 0.87777801477053 0.98722113264957 24.305 > 60 61 Mg 0.84078791048312 0.62222198522947 0.48722113264957 24.305 > 61 62 Mg 0.34078791048312 0.87777801477053 0.51277886735043 24.305 > 62 63 Mg 0.65921208951688 0.37777801477053 0.98722113264957 24.305 > 63 64 Mg 0.15921208951688 0.12222198522947 0.01277886735043 24.305 > 64 *65 Ge 0.46218468148087 0.27043280126251 0.65431024331934 72.640 > 65 66 Ge 0.96218468148087 0.22956719873750 0.34568975668065 72.640 > 66 67 Ge 0.03781531851913 0.72956719873749 0.15431024331935 72.640 > 67 68 Ge 0.53781531851913 0.77043280126251 0.84568975668066 72.640 > 68 69 Ge 0.53781531851913 0.72956719873749 0.34568975668065 72.640 > 69 70 Ge 0.03781531851913 0.77043280126251 0.65431024331934 72.640 > 70 71 Ge 0.96218468148087 0.27043280126251 0.84568975668066 72.640 > 71 72 Ge 0.46218468148087 0.22956719873750 0.15431024331935 72.640 > 72 *73 Ge 0.69402764623478 0.47232783465426 0.65985417796116 72.640 > 73 74 Ge 0.19402764623478 0.02767216534574 0.34014582203884 72.640 > 74 75 Ge 0.80597235376522 0.52767216534574 0.15985417796116 72.640 > 75 76 Ge 0.30597235376522 0.97232783465426 0.84014582203884 72.640 > 76 77 Ge 0.30597235376522 0.52767216534574 0.34014582203884 72.640 > 77 78 Ge 0.80597235376522 0.97232783465426 0.65985417796116 72.640 > 78 79 Ge 0.19402764623478 0.47232783465426 0.84014582203884 72.640 > 79 80 Ge 0.69402764623478 0.02767216534574 0.15985417796116 72.640 > 80 -------------------------------- super cell -------------------------------- Lattice vectors: a 5.360290060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.879781570000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.955982340000002 Atomic positions (fractional): *1 O 0.87128530913094 0.05585077025476 0.32269669397291 15.999 > 1 2 O 0.37128530913094 0.44414922974524 0.67730330602709 15.999 > 2 3 O 0.62871469086906 0.94414922974524 0.82269669397291 15.999 > 3 4 O 0.12871469086906 0.55585077025476 0.17730330602709 15.999 > 4 5 O 0.12871469086906 0.94414922974524 0.67730330602709 15.999 > 5 6 O 0.62871469086906 0.55585077025476 0.32269669397291 15.999 > 6 7 O 0.37128530913094 0.05585077025476 0.17730330602709 15.999 > 7 8 O 0.87128530913094 0.44414922974524 0.82269669397291 15.999 > 8 *9 O 0.83118138463118 0.06966957137456 0.01157668880277 15.999 > 9 10 O 0.33118138463118 0.43033042862544 0.98842331119723 15.999 > 10 11 O 0.66881861536882 0.93033042862544 0.51157668880277 15.999 > 11 12 O 0.16881861536882 0.56966957137456 0.48842331119723 15.999 > 12 13 O 0.16881861536882 0.93033042862544 0.98842331119723 15.999 > 13 14 O 0.66881861536882 0.56966957137456 0.01157668880277 15.999 > 14 15 O 0.33118138463118 0.06966957137456 0.48842331119723 15.999 > 15 16 O 0.83118138463118 0.43033042862544 0.51157668880277 15.999 > 16 *17 O 0.68347586151901 0.93505221441941 0.16208005648454 15.999 > 17 18 O 0.18347586151901 0.56494778558059 0.83791994351545 15.999 > 18 19 O 0.81652413848099 0.06494778558059 0.66208005648455 15.999 > 19 *20 O 0.46626524374838 0.18755959804250 0.98408808117153 15.999 > 20 21 O 0.31652413848099 0.43505221441941 0.33791994351546 15.999 > 21 22 O 0.81652413848099 0.43505221441941 0.16208005648454 15.999 > 22 23 O 0.18347586151901 0.93505221441941 0.33791994351546 15.999 > 23 24 O 0.68347586151901 0.56494778558059 0.66208005648455 15.999 > 24 *25 O 0.66446454102460 0.19282882455221 0.29111735925166 15.999 > 25 26 O 0.16446454102460 0.30717117544779 0.70888264074833 15.999 > 26 27 O 0.83553545897540 0.80717117544779 0.79111735925167 15.999 > 27 28 O 0.33553545897540 0.69282882455221 0.20888264074834 15.999 > 28 29 O 0.33553545897540 0.80717117544779 0.70888264074833 15.999 > 29 30 O 0.83553545897540 0.69282882455221 0.29111735925166 15.999 > 30 31 O 0.16446454102460 0.19282882455221 0.20888264074834 15.999 > 31 32 O 0.66446454102460 0.30717117544779 0.79111735925167 15.999 > 32 *33 O 0.48216418716416 0.17855015255059 0.65960636989751 15.999 > 33 34 O 0.98216418716416 0.32144984744941 0.34039363010249 15.999 > 34 35 O 0.01783581283584 0.82144984744941 0.15960636989751 15.999 > 35 36 O 0.51783581283584 0.67855015255059 0.84039363010249 15.999 > 36 37 O 0.51783581283584 0.82144984744941 0.34039363010249 15.999 > 37 38 O 0.01783581283584 0.67855015255059 0.65960636989751 15.999 > 38 39 O 0.98216418716416 0.17855015255059 0.84039363010249 15.999 > 39 40 O 0.48216418716416 0.32144984744941 0.15960636989751 15.999 > 40 41 O 0.46626524374838 0.31244040195750 0.48408808117153 15.999 > 41 42 O 0.96626524374838 0.18755959804250 0.51591191882847 15.999 > 42 43 O 0.03373475625162 0.68755959804250 0.98408808117153 15.999 > 43 44 O 0.53373475625162 0.81244040195750 0.01591191882847 15.999 > 44 45 O 0.53373475625162 0.68755959804250 0.51591191882847 15.999 > 45 46 O 0.03373475625162 0.81244040195750 0.48408808117153 15.999 > 46 47 O 0.96626524374838 0.31244040195750 0.01591191882847 15.999 > 47 48 O 0.31652413848099 0.06494778558059 0.83791994351545 15.999 > 48 *49 Mg 0.15123237915669 0.12323414506866 0.65716308638945 24.305 > 49 50 Mg 0.65123237915669 0.37676585493135 0.34283691361055 24.305 > 50 51 Mg 0.34876762084331 0.87676585493134 0.15716308638945 24.305 > 51 52 Mg 0.84876762084331 0.62323414506866 0.84283691361055 24.305 > 52 53 Mg 0.84876762084331 0.87676585493134 0.34283691361055 24.305 > 53 54 Mg 0.34876762084331 0.62323414506866 0.65716308638945 24.305 > 54 55 Mg 0.65123237915669 0.12323414506866 0.84283691361055 24.305 > 55 56 Mg 0.15123237915669 0.37676585493135 0.15716308638945 24.305 > 56 *57 Mg 0.15921208951688 0.37777801477053 0.51277886735043 24.305 > 57 58 Mg 0.65921208951688 0.12222198522947 0.48722113264957 24.305 > 58 59 Mg 0.34078791048312 0.62222198522947 0.01277886735043 24.305 > 59 60 Mg 0.84078791048312 0.87777801477053 0.98722113264957 24.305 > 60 61 Mg 0.84078791048312 0.62222198522947 0.48722113264957 24.305 > 61 62 Mg 0.34078791048312 0.87777801477053 0.51277886735043 24.305 > 62 63 Mg 0.65921208951688 0.37777801477053 0.98722113264957 24.305 > 63 64 Mg 0.15921208951688 0.12222198522947 0.01277886735043 24.305 > 64 *65 Ge 0.46218468148087 0.27043280126251 0.65431024331934 72.640 > 65 66 Ge 0.96218468148087 0.22956719873750 0.34568975668065 72.640 > 66 67 Ge 0.03781531851913 0.72956719873749 0.15431024331935 72.640 > 67 68 Ge 0.53781531851913 0.77043280126251 0.84568975668066 72.640 > 68 69 Ge 0.53781531851913 0.72956719873749 0.34568975668065 72.640 > 69 70 Ge 0.03781531851913 0.77043280126251 0.65431024331934 72.640 > 70 71 Ge 0.96218468148087 0.27043280126251 0.84568975668066 72.640 > 71 72 Ge 0.46218468148087 0.22956719873750 0.15431024331935 72.640 > 72 *73 Ge 0.69402764623478 0.47232783465426 0.65985417796116 72.640 > 73 74 Ge 0.19402764623478 0.02767216534574 0.34014582203884 72.640 > 74 75 Ge 0.80597235376522 0.52767216534574 0.15985417796116 72.640 > 75 76 Ge 0.30597235376522 0.97232783465426 0.84014582203884 72.640 > 76 77 Ge 0.30597235376522 0.52767216534574 0.34014582203884 72.640 > 77 78 Ge 0.80597235376522 0.97232783465426 0.65985417796116 72.640 > 78 79 Ge 0.19402764623478 0.47232783465426 0.84014582203884 72.640 > 79 80 Ge 0.69402764623478 0.02767216534574 0.15985417796116 72.640 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3748623 0.0000000 0.0000000 0.0000000 3.3543472 0.0000000 0.0000000 0.0000000 3.3184291 -------------------------- Born effective charges -------------------------- 1 O -2.4368799 0.1546196 -0.4626435 0.1649120 -1.3769894 -0.2075354 -0.5316829 -0.1554693 -1.7394163 2 O -2.4368799 -0.1546196 0.4626435 -0.1649120 -1.3769894 -0.2075354 0.5316829 -0.1554693 -1.7394163 3 O -2.4368799 0.1546196 0.4626435 0.1649120 -1.3769894 0.2075354 0.5316829 0.1554693 -1.7394163 4 O -2.4368799 -0.1546196 -0.4626435 -0.1649120 -1.3769894 0.2075354 -0.5316829 0.1554693 -1.7394163 5 O -2.4368799 0.1546196 -0.4626435 0.1649120 -1.3769894 -0.2075354 -0.5316829 -0.1554693 -1.7394163 6 O -2.4368799 -0.1546196 0.4626435 -0.1649120 -1.3769894 -0.2075354 0.5316829 -0.1554693 -1.7394163 7 O -2.4368799 0.1546196 0.4626435 0.1649120 -1.3769894 0.2075354 0.5316829 0.1554693 -1.7394163 8 O -2.4368799 -0.1546196 -0.4626435 -0.1649120 -1.3769894 0.2075354 -0.5316829 0.1554693 -1.7394163 9 O -1.7023943 -0.1694257 -0.0157776 -0.1978222 -1.5602793 0.3452922 0.2179762 0.3445462 -1.8444850 10 O -1.7023943 0.1694257 0.0157776 0.1978222 -1.5602793 0.3452922 -0.2179762 0.3445462 -1.8444850 11 O -1.7023943 -0.1694257 0.0157776 -0.1978222 -1.5602793 -0.3452922 -0.2179762 -0.3445462 -1.8444850 12 O -1.7023943 0.1694257 -0.0157776 0.1978222 -1.5602793 -0.3452922 0.2179762 -0.3445462 -1.8444850 13 O -1.7023943 -0.1694257 -0.0157776 -0.1978222 -1.5602793 0.3452922 0.2179762 0.3445462 -1.8444850 14 O -1.7023943 0.1694257 0.0157776 0.1978222 -1.5602793 0.3452922 -0.2179762 0.3445462 -1.8444850 15 O -1.7023943 -0.1694257 0.0157776 -0.1978222 -1.5602793 -0.3452922 -0.2179762 -0.3445462 -1.8444850 16 O -1.7023943 0.1694257 -0.0157776 0.1978222 -1.5602793 -0.3452922 0.2179762 -0.3445462 -1.8444850 17 O -1.5547453 -0.0086864 -0.0749265 -0.0414272 -2.3022721 0.0121721 0.0028207 -0.1545547 -1.6203978 18 O -1.5547453 0.0086864 0.0749265 0.0414272 -2.3022721 0.0121721 -0.0028207 -0.1545547 -1.6203978 19 O -1.5547453 -0.0086864 0.0749265 -0.0414272 -2.3022721 -0.0121721 -0.0028207 0.1545547 -1.6203978 20 O -1.5478333 -0.0025494 0.1360959 -0.0167595 -1.6741520 -0.3542936 0.1281666 -0.3661074 -2.0021907 21 O -1.5547453 0.0086864 -0.0749265 0.0414272 -2.3022721 -0.0121721 0.0028207 0.1545547 -1.6203978 22 O -1.5547453 0.0086864 0.0749265 0.0414272 -2.3022721 0.0121721 -0.0028207 -0.1545547 -1.6203978 23 O -1.5547453 -0.0086864 0.0749265 -0.0414272 -2.3022721 -0.0121721 -0.0028207 0.1545547 -1.6203978 24 O -1.5547453 0.0086864 -0.0749265 0.0414272 -2.3022721 -0.0121721 0.0028207 0.1545547 -1.6203978 25 O -2.2895925 -0.0078124 -0.7534625 -0.0355196 -1.4652253 0.2274639 -0.5991984 0.1499768 -1.7506014 26 O -2.2895925 0.0078124 0.7534625 0.0355196 -1.4652253 0.2274639 0.5991984 0.1499768 -1.7506014 27 O -2.2895925 -0.0078124 0.7534625 -0.0355196 -1.4652253 -0.2274639 0.5991984 -0.1499768 -1.7506014 28 O -2.2895925 0.0078124 -0.7534625 0.0355196 -1.4652253 -0.2274639 -0.5991984 -0.1499768 -1.7506014 29 O -2.2895925 -0.0078124 -0.7534625 -0.0355196 -1.4652253 0.2274639 -0.5991984 0.1499768 -1.7506014 30 O -2.2895925 0.0078124 0.7534625 0.0355196 -1.4652253 0.2274639 0.5991984 0.1499768 -1.7506014 31 O -2.2895925 -0.0078124 0.7534625 -0.0355196 -1.4652253 -0.2274639 0.5991984 -0.1499768 -1.7506014 32 O -2.2895925 0.0078124 -0.7534625 0.0355196 -1.4652253 -0.2274639 -0.5991984 -0.1499768 -1.7506014 33 O -1.5669437 0.0048376 -0.0164861 0.0369879 -2.2501446 0.0264658 0.0237922 -0.1173233 -1.6230476 34 O -1.5669437 -0.0048376 0.0164861 -0.0369879 -2.2501446 0.0264658 -0.0237922 -0.1173233 -1.6230476 35 O -1.5669437 0.0048376 0.0164861 0.0369879 -2.2501446 -0.0264658 -0.0237922 0.1173233 -1.6230476 36 O -1.5669437 -0.0048376 -0.0164861 -0.0369879 -2.2501446 -0.0264658 0.0237922 0.1173233 -1.6230476 37 O -1.5669437 0.0048376 -0.0164861 0.0369879 -2.2501446 0.0264658 0.0237922 -0.1173233 -1.6230476 38 O -1.5669437 -0.0048376 0.0164861 -0.0369879 -2.2501446 0.0264658 -0.0237922 -0.1173233 -1.6230476 39 O -1.5669437 0.0048376 0.0164861 0.0369879 -2.2501446 -0.0264658 -0.0237922 0.1173233 -1.6230476 40 O -1.5669437 -0.0048376 -0.0164861 -0.0369879 -2.2501446 -0.0264658 0.0237922 0.1173233 -1.6230476 41 O -1.5478333 0.0025494 0.1360959 0.0167595 -1.6741520 0.3542936 0.1281666 0.3661074 -2.0021907 42 O -1.5478333 -0.0025494 -0.1360959 -0.0167595 -1.6741520 0.3542936 -0.1281666 0.3661074 -2.0021907 43 O -1.5478333 0.0025494 -0.1360959 0.0167595 -1.6741520 -0.3542936 -0.1281666 -0.3661074 -2.0021907 44 O -1.5478333 -0.0025494 0.1360959 -0.0167595 -1.6741520 -0.3542936 0.1281666 -0.3661074 -2.0021907 45 O -1.5478333 0.0025494 0.1360959 0.0167595 -1.6741520 0.3542936 0.1281666 0.3661074 -2.0021907 46 O -1.5478333 -0.0025494 -0.1360959 -0.0167595 -1.6741520 0.3542936 -0.1281666 0.3661074 -2.0021907 47 O -1.5478333 0.0025494 -0.1360959 0.0167595 -1.6741520 -0.3542936 -0.1281666 -0.3661074 -2.0021907 48 O -1.5547453 -0.0086864 -0.0749265 -0.0414272 -2.3022721 0.0121721 0.0028207 -0.1545547 -1.6203978 49 Mg 2.0418135 -0.0029551 0.0256231 0.0144687 2.3307728 0.0033033 0.0289403 -0.0413548 2.3076452 50 Mg 2.0418135 0.0029551 -0.0256231 -0.0144687 2.3307728 0.0033033 -0.0289403 -0.0413548 2.3076452 51 Mg 2.0418135 -0.0029551 -0.0256231 0.0144687 2.3307728 -0.0033033 -0.0289403 0.0413548 2.3076452 52 Mg 2.0418135 0.0029551 0.0256231 -0.0144687 2.3307728 -0.0033033 0.0289403 0.0413548 2.3076452 53 Mg 2.0418135 -0.0029551 0.0256231 0.0144687 2.3307728 0.0033033 0.0289403 -0.0413548 2.3076452 54 Mg 2.0418135 0.0029551 -0.0256231 -0.0144687 2.3307728 0.0033033 -0.0289403 -0.0413548 2.3076452 55 Mg 2.0418135 -0.0029551 -0.0256231 0.0144687 2.3307728 -0.0033033 -0.0289403 0.0413548 2.3076452 56 Mg 2.0418135 0.0029551 0.0256231 -0.0144687 2.3307728 -0.0033033 0.0289403 0.0413548 2.3076452 57 Mg 2.0887072 -0.0016105 0.1931791 -0.0187263 2.3440586 -0.0239696 0.0994510 -0.0065767 2.1497656 58 Mg 2.0887072 0.0016105 -0.1931791 0.0187263 2.3440586 -0.0239696 -0.0994510 -0.0065767 2.1497656 59 Mg 2.0887072 -0.0016105 -0.1931791 -0.0187263 2.3440586 0.0239696 -0.0994510 0.0065767 2.1497656 60 Mg 2.0887072 0.0016105 0.1931791 0.0187263 2.3440586 0.0239696 0.0994510 0.0065767 2.1497656 61 Mg 2.0887072 -0.0016105 0.1931791 -0.0187263 2.3440586 -0.0239696 0.0994510 -0.0065767 2.1497656 62 Mg 2.0887072 0.0016105 -0.1931791 0.0187263 2.3440586 -0.0239696 -0.0994510 -0.0065767 2.1497656 63 Mg 2.0887072 -0.0016105 -0.1931791 -0.0187263 2.3440586 0.0239696 -0.0994510 0.0065767 2.1497656 64 Mg 2.0887072 0.0016105 0.1931791 0.0187263 2.3440586 0.0239696 0.0994510 0.0065767 2.1497656 65 Ge 3.4378016 -0.0170259 0.3601992 -0.0658266 2.9805869 -0.1759673 -0.0738012 0.1917823 3.1495297 66 Ge 3.4378016 0.0170259 -0.3601992 0.0658266 2.9805869 -0.1759673 0.0738012 0.1917823 3.1495297 67 Ge 3.4378016 -0.0170259 -0.3601992 -0.0658266 2.9805869 0.1759673 0.0738012 -0.1917823 3.1495297 68 Ge 3.4378016 0.0170259 0.3601992 0.0658266 2.9805869 0.1759673 -0.0738012 -0.1917823 3.1495297 69 Ge 3.4378016 -0.0170259 0.3601992 -0.0658266 2.9805869 -0.1759673 -0.0738012 0.1917823 3.1495297 70 Ge 3.4378016 0.0170259 -0.3601992 0.0658266 2.9805869 -0.1759673 0.0738012 0.1917823 3.1495297 71 Ge 3.4378016 -0.0170259 -0.3601992 -0.0658266 2.9805869 0.1759673 0.0738012 -0.1917823 3.1495297 72 Ge 3.4378016 0.0170259 0.3601992 0.0658266 2.9805869 0.1759673 -0.0738012 -0.1917823 3.1495297 73 Ge 3.5300667 -0.0327440 0.4198627 -0.0774498 2.9736445 0.1078544 -0.1851660 -0.1975591 2.9731983 74 Ge 3.5300667 0.0327440 -0.4198627 0.0774498 2.9736445 0.1078544 0.1851660 -0.1975591 2.9731983 75 Ge 3.5300667 -0.0327440 -0.4198627 -0.0774498 2.9736445 -0.1078544 0.1851660 0.1975591 2.9731983 76 Ge 3.5300667 0.0327440 0.4198627 0.0774498 2.9736445 -0.1078544 -0.1851660 0.1975591 2.9731983 77 Ge 3.5300667 -0.0327440 0.4198627 -0.0774498 2.9736445 0.1078544 -0.1851660 -0.1975591 2.9731983 78 Ge 3.5300667 0.0327440 -0.4198627 0.0774498 2.9736445 0.1078544 0.1851660 -0.1975591 2.9731983 79 Ge 3.5300667 -0.0327440 -0.4198627 -0.0774498 2.9736445 -0.1078544 0.1851660 0.1975591 2.9731983 80 Ge 3.5300667 0.0327440 0.4198627 0.0774498 2.9736445 -0.1078544 -0.1851660 0.1975591 2.9731983 ---------------------------------------------------------------------------- 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: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 80 / 80 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 1200 - Time: 0.693 Solver_block: 200 / 1200 - Time: 0.575 Solver_block: 300 / 1200 - Time: 0.577 Solver_block: 400 / 1200 - Time: 0.581 Solver_block: 500 / 1200 - Time: 0.578 Solver_block: 600 / 1200 - Time: 0.579 Solver_block: 700 / 1200 - Time: 0.576 Solver_block: 800 / 1200 - Time: 0.578 Solver_block: 900 / 1200 - Time: 0.584 Solver_block: 1000 / 1200 - Time: 0.577 Solver_block: 1100 / 1200 - Time: 0.578 Solver_block: 1200 / 1200 - Time: 0.578 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 7.233 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (xx) 0.00000000 (xx) 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: 3720 Number of blocks in projector: 3720 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: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 38 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 800 Use submatrix version of eigh solver. (1) Block: 500 / 800 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 37 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 800 / 800 (1) 280 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 440 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 440 Use standard eigh solver. Tree of FC basis block matrices: - (3720, 3630), data: False |-- (440, 430), data: True |-- (440, 430), data: True |-- (440, 430), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 17), data: (500, 37) @ (37, 17) |-- (250, 233), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 18), data: (500, 38) @ (38, 18) |-- (250, 232), data: True |-- (250, 230), data: True |-- (800, 780), data: False |-- (800, 20), data: (800, 40) @ (40, 20) |-- (300, 280), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (xx) 0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 20:18:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:18:55]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.360290060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.879781570000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.955982340000002 Atomic positions (fractional): 1 O 0.87128530913094 0.05585077025476 0.32269669397291 15.999 2 O 0.37128530913094 0.44414922974524 0.67730330602709 15.999 3 O 0.62871469086906 0.94414922974524 0.82269669397291 15.999 4 O 0.12871469086906 0.55585077025476 0.17730330602709 15.999 5 O 0.12871469086906 0.94414922974524 0.67730330602709 15.999 6 O 0.62871469086906 0.55585077025476 0.32269669397291 15.999 7 O 0.37128530913094 0.05585077025476 0.17730330602709 15.999 8 O 0.87128530913094 0.44414922974524 0.82269669397291 15.999 9 O 0.83118138463118 0.06966957137456 0.01157668880277 15.999 10 O 0.33118138463118 0.43033042862544 0.98842331119723 15.999 11 O 0.66881861536882 0.93033042862544 0.51157668880277 15.999 12 O 0.16881861536882 0.56966957137456 0.48842331119723 15.999 13 O 0.16881861536882 0.93033042862544 0.98842331119723 15.999 14 O 0.66881861536882 0.56966957137456 0.01157668880277 15.999 15 O 0.33118138463118 0.06966957137456 0.48842331119723 15.999 16 O 0.83118138463118 0.43033042862544 0.51157668880277 15.999 17 O 0.68347586151901 0.93505221441941 0.16208005648454 15.999 18 O 0.18347586151901 0.56494778558059 0.83791994351545 15.999 19 O 0.81652413848099 0.06494778558059 0.66208005648455 15.999 20 O 0.46626524374838 0.18755959804250 0.98408808117153 15.999 21 O 0.31652413848099 0.43505221441941 0.33791994351546 15.999 22 O 0.81652413848099 0.43505221441941 0.16208005648454 15.999 23 O 0.18347586151901 0.93505221441941 0.33791994351546 15.999 24 O 0.68347586151901 0.56494778558059 0.66208005648455 15.999 25 O 0.66446454102460 0.19282882455221 0.29111735925166 15.999 26 O 0.16446454102460 0.30717117544779 0.70888264074833 15.999 27 O 0.83553545897540 0.80717117544779 0.79111735925167 15.999 28 O 0.33553545897540 0.69282882455221 0.20888264074834 15.999 29 O 0.33553545897540 0.80717117544779 0.70888264074833 15.999 30 O 0.83553545897540 0.69282882455221 0.29111735925166 15.999 31 O 0.16446454102460 0.19282882455221 0.20888264074834 15.999 32 O 0.66446454102460 0.30717117544779 0.79111735925167 15.999 33 O 0.48216418716416 0.17855015255059 0.65960636989751 15.999 34 O 0.98216418716416 0.32144984744941 0.34039363010249 15.999 35 O 0.01783581283584 0.82144984744941 0.15960636989751 15.999 36 O 0.51783581283584 0.67855015255059 0.84039363010249 15.999 37 O 0.51783581283584 0.82144984744941 0.34039363010249 15.999 38 O 0.01783581283584 0.67855015255059 0.65960636989751 15.999 39 O 0.98216418716416 0.17855015255059 0.84039363010249 15.999 40 O 0.48216418716416 0.32144984744941 0.15960636989751 15.999 41 O 0.46626524374838 0.31244040195750 0.48408808117153 15.999 42 O 0.96626524374838 0.18755959804250 0.51591191882847 15.999 43 O 0.03373475625162 0.68755959804250 0.98408808117153 15.999 44 O 0.53373475625162 0.81244040195750 0.01591191882847 15.999 45 O 0.53373475625162 0.68755959804250 0.51591191882847 15.999 46 O 0.03373475625162 0.81244040195750 0.48408808117153 15.999 47 O 0.96626524374838 0.31244040195750 0.01591191882847 15.999 48 O 0.31652413848099 0.06494778558059 0.83791994351545 15.999 49 Mg 0.15123237915669 0.12323414506866 0.65716308638945 24.305 50 Mg 0.65123237915669 0.37676585493135 0.34283691361055 24.305 51 Mg 0.34876762084331 0.87676585493134 0.15716308638945 24.305 52 Mg 0.84876762084331 0.62323414506866 0.84283691361055 24.305 53 Mg 0.84876762084331 0.87676585493134 0.34283691361055 24.305 54 Mg 0.34876762084331 0.62323414506866 0.65716308638945 24.305 55 Mg 0.65123237915669 0.12323414506866 0.84283691361055 24.305 56 Mg 0.15123237915669 0.37676585493135 0.15716308638945 24.305 57 Mg 0.15921208951688 0.37777801477053 0.51277886735043 24.305 58 Mg 0.65921208951688 0.12222198522947 0.48722113264957 24.305 59 Mg 0.34078791048312 0.62222198522947 0.01277886735043 24.305 60 Mg 0.84078791048312 0.87777801477053 0.98722113264957 24.305 61 Mg 0.84078791048312 0.62222198522947 0.48722113264957 24.305 62 Mg 0.34078791048312 0.87777801477053 0.51277886735043 24.305 63 Mg 0.65921208951688 0.37777801477053 0.98722113264957 24.305 64 Mg 0.15921208951688 0.12222198522947 0.01277886735043 24.305 65 Ge 0.46218468148087 0.27043280126251 0.65431024331934 72.640 66 Ge 0.96218468148087 0.22956719873750 0.34568975668065 72.640 67 Ge 0.03781531851913 0.72956719873749 0.15431024331935 72.640 68 Ge 0.53781531851913 0.77043280126251 0.84568975668066 72.640 69 Ge 0.53781531851913 0.72956719873749 0.34568975668065 72.640 70 Ge 0.03781531851913 0.77043280126251 0.65431024331934 72.640 71 Ge 0.96218468148087 0.27043280126251 0.84568975668066 72.640 72 Ge 0.46218468148087 0.22956719873750 0.15431024331935 72.640 73 Ge 0.69402764623478 0.47232783465426 0.65985417796116 72.640 74 Ge 0.19402764623478 0.02767216534574 0.34014582203884 72.640 75 Ge 0.80597235376522 0.52767216534574 0.15985417796116 72.640 76 Ge 0.30597235376522 0.97232783465426 0.84014582203884 72.640 77 Ge 0.30597235376522 0.52767216534574 0.34014582203884 72.640 78 Ge 0.80597235376522 0.97232783465426 0.65985417796116 72.640 79 Ge 0.19402764623478 0.47232783465426 0.84014582203884 72.640 80 Ge 0.69402764623478 0.02767216534574 0.15985417796116 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.360290060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.879781570000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.955982340000002 Atomic positions (fractional): 1 O 0.87128530913094 0.05585077025476 0.32269669397291 15.999 > 1 2 O 0.37128530913094 0.44414922974524 0.67730330602709 15.999 > 2 3 O 0.62871469086906 0.94414922974524 0.82269669397291 15.999 > 3 4 O 0.12871469086906 0.55585077025476 0.17730330602709 15.999 > 4 5 O 0.12871469086906 0.94414922974524 0.67730330602709 15.999 > 5 6 O 0.62871469086906 0.55585077025476 0.32269669397291 15.999 > 6 7 O 0.37128530913094 0.05585077025476 0.17730330602709 15.999 > 7 8 O 0.87128530913094 0.44414922974524 0.82269669397291 15.999 > 8 9 O 0.83118138463118 0.06966957137456 0.01157668880277 15.999 > 9 10 O 0.33118138463118 0.43033042862544 0.98842331119723 15.999 > 10 11 O 0.66881861536882 0.93033042862544 0.51157668880277 15.999 > 11 12 O 0.16881861536882 0.56966957137456 0.48842331119723 15.999 > 12 13 O 0.16881861536882 0.93033042862544 0.98842331119723 15.999 > 13 14 O 0.66881861536882 0.56966957137456 0.01157668880277 15.999 > 14 15 O 0.33118138463118 0.06966957137456 0.48842331119723 15.999 > 15 16 O 0.83118138463118 0.43033042862544 0.51157668880277 15.999 > 16 17 O 0.68347586151901 0.93505221441941 0.16208005648454 15.999 > 17 18 O 0.18347586151901 0.56494778558059 0.83791994351545 15.999 > 18 19 O 0.81652413848099 0.06494778558059 0.66208005648455 15.999 > 19 20 O 0.46626524374838 0.18755959804250 0.98408808117153 15.999 > 20 21 O 0.31652413848099 0.43505221441941 0.33791994351546 15.999 > 21 22 O 0.81652413848099 0.43505221441941 0.16208005648454 15.999 > 22 23 O 0.18347586151901 0.93505221441941 0.33791994351546 15.999 > 23 24 O 0.68347586151901 0.56494778558059 0.66208005648455 15.999 > 24 25 O 0.66446454102460 0.19282882455221 0.29111735925166 15.999 > 25 26 O 0.16446454102460 0.30717117544779 0.70888264074833 15.999 > 26 27 O 0.83553545897540 0.80717117544779 0.79111735925167 15.999 > 27 28 O 0.33553545897540 0.69282882455221 0.20888264074834 15.999 > 28 29 O 0.33553545897540 0.80717117544779 0.70888264074833 15.999 > 29 30 O 0.83553545897540 0.69282882455221 0.29111735925166 15.999 > 30 31 O 0.16446454102460 0.19282882455221 0.20888264074834 15.999 > 31 32 O 0.66446454102460 0.30717117544779 0.79111735925167 15.999 > 32 33 O 0.48216418716416 0.17855015255059 0.65960636989751 15.999 > 33 34 O 0.98216418716416 0.32144984744941 0.34039363010249 15.999 > 34 35 O 0.01783581283584 0.82144984744941 0.15960636989751 15.999 > 35 36 O 0.51783581283584 0.67855015255059 0.84039363010249 15.999 > 36 37 O 0.51783581283584 0.82144984744941 0.34039363010249 15.999 > 37 38 O 0.01783581283584 0.67855015255059 0.65960636989751 15.999 > 38 39 O 0.98216418716416 0.17855015255059 0.84039363010249 15.999 > 39 40 O 0.48216418716416 0.32144984744941 0.15960636989751 15.999 > 40 41 O 0.46626524374838 0.31244040195750 0.48408808117153 15.999 > 41 42 O 0.96626524374838 0.18755959804250 0.51591191882847 15.999 > 42 43 O 0.03373475625162 0.68755959804250 0.98408808117153 15.999 > 43 44 O 0.53373475625162 0.81244040195750 0.01591191882847 15.999 > 44 45 O 0.53373475625162 0.68755959804250 0.51591191882847 15.999 > 45 46 O 0.03373475625162 0.81244040195750 0.48408808117153 15.999 > 46 47 O 0.96626524374838 0.31244040195750 0.01591191882847 15.999 > 47 48 O 0.31652413848099 0.06494778558059 0.83791994351545 15.999 > 48 49 Mg 0.15123237915669 0.12323414506866 0.65716308638945 24.305 > 49 50 Mg 0.65123237915669 0.37676585493135 0.34283691361055 24.305 > 50 51 Mg 0.34876762084331 0.87676585493134 0.15716308638945 24.305 > 51 52 Mg 0.84876762084331 0.62323414506866 0.84283691361055 24.305 > 52 53 Mg 0.84876762084331 0.87676585493134 0.34283691361055 24.305 > 53 54 Mg 0.34876762084331 0.62323414506866 0.65716308638945 24.305 > 54 55 Mg 0.65123237915669 0.12323414506866 0.84283691361055 24.305 > 55 56 Mg 0.15123237915669 0.37676585493135 0.15716308638945 24.305 > 56 57 Mg 0.15921208951688 0.37777801477053 0.51277886735043 24.305 > 57 58 Mg 0.65921208951688 0.12222198522947 0.48722113264957 24.305 > 58 59 Mg 0.34078791048312 0.62222198522947 0.01277886735043 24.305 > 59 60 Mg 0.84078791048312 0.87777801477053 0.98722113264957 24.305 > 60 61 Mg 0.84078791048312 0.62222198522947 0.48722113264957 24.305 > 61 62 Mg 0.34078791048312 0.87777801477053 0.51277886735043 24.305 > 62 63 Mg 0.65921208951688 0.37777801477053 0.98722113264957 24.305 > 63 64 Mg 0.15921208951688 0.12222198522947 0.01277886735043 24.305 > 64 65 Ge 0.46218468148087 0.27043280126251 0.65431024331934 72.640 > 65 66 Ge 0.96218468148087 0.22956719873750 0.34568975668065 72.640 > 66 67 Ge 0.03781531851913 0.72956719873749 0.15431024331935 72.640 > 67 68 Ge 0.53781531851913 0.77043280126251 0.84568975668066 72.640 > 68 69 Ge 0.53781531851913 0.72956719873749 0.34568975668065 72.640 > 69 70 Ge 0.03781531851913 0.77043280126251 0.65431024331934 72.640 > 70 71 Ge 0.96218468148087 0.27043280126251 0.84568975668066 72.640 > 71 72 Ge 0.46218468148087 0.22956719873750 0.15431024331935 72.640 > 72 73 Ge 0.69402764623478 0.47232783465426 0.65985417796116 72.640 > 73 74 Ge 0.19402764623478 0.02767216534574 0.34014582203884 72.640 > 74 75 Ge 0.80597235376522 0.52767216534574 0.15985417796116 72.640 > 75 76 Ge 0.30597235376522 0.97232783465426 0.84014582203884 72.640 > 76 77 Ge 0.30597235376522 0.52767216534574 0.34014582203884 72.640 > 77 78 Ge 0.80597235376522 0.97232783465426 0.65985417796116 72.640 > 78 79 Ge 0.19402764623478 0.47232783465426 0.84014582203884 72.640 > 79 80 Ge 0.69402764623478 0.02767216534574 0.15985417796116 72.640 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.3748623 0.0000000 0.0000000 0.0000000 3.3543472 0.0000000 0.0000000 0.0000000 3.3184291 -------------------------- Born effective charges -------------------------- 1 O -2.4368799 0.1546196 -0.4626435 0.1649120 -1.3769894 -0.2075354 -0.5316829 -0.1554693 -1.7394163 2 O -2.4368799 -0.1546196 0.4626435 -0.1649120 -1.3769894 -0.2075354 0.5316829 -0.1554693 -1.7394163 3 O -2.4368799 0.1546196 0.4626435 0.1649120 -1.3769894 0.2075354 0.5316829 0.1554693 -1.7394163 4 O -2.4368799 -0.1546196 -0.4626435 -0.1649120 -1.3769894 0.2075354 -0.5316829 0.1554693 -1.7394163 5 O -2.4368799 0.1546196 -0.4626435 0.1649120 -1.3769894 -0.2075354 -0.5316829 -0.1554693 -1.7394163 6 O -2.4368799 -0.1546196 0.4626435 -0.1649120 -1.3769894 -0.2075354 0.5316829 -0.1554693 -1.7394163 7 O -2.4368799 0.1546196 0.4626435 0.1649120 -1.3769894 0.2075354 0.5316829 0.1554693 -1.7394163 8 O -2.4368799 -0.1546196 -0.4626435 -0.1649120 -1.3769894 0.2075354 -0.5316829 0.1554693 -1.7394163 9 O -1.7023943 -0.1694257 -0.0157776 -0.1978222 -1.5602793 0.3452922 0.2179762 0.3445462 -1.8444850 10 O -1.7023943 0.1694257 0.0157776 0.1978222 -1.5602793 0.3452922 -0.2179762 0.3445462 -1.8444850 11 O -1.7023943 -0.1694257 0.0157776 -0.1978222 -1.5602793 -0.3452922 -0.2179762 -0.3445462 -1.8444850 12 O -1.7023943 0.1694257 -0.0157776 0.1978222 -1.5602793 -0.3452922 0.2179762 -0.3445462 -1.8444850 13 O -1.7023943 -0.1694257 -0.0157776 -0.1978222 -1.5602793 0.3452922 0.2179762 0.3445462 -1.8444850 14 O -1.7023943 0.1694257 0.0157776 0.1978222 -1.5602793 0.3452922 -0.2179762 0.3445462 -1.8444850 15 O -1.7023943 -0.1694257 0.0157776 -0.1978222 -1.5602793 -0.3452922 -0.2179762 -0.3445462 -1.8444850 16 O -1.7023943 0.1694257 -0.0157776 0.1978222 -1.5602793 -0.3452922 0.2179762 -0.3445462 -1.8444850 17 O -1.5547453 -0.0086864 -0.0749265 -0.0414272 -2.3022721 0.0121721 0.0028207 -0.1545547 -1.6203978 18 O -1.5547453 0.0086864 0.0749265 0.0414272 -2.3022721 0.0121721 -0.0028207 -0.1545547 -1.6203978 19 O -1.5547453 -0.0086864 0.0749265 -0.0414272 -2.3022721 -0.0121721 -0.0028207 0.1545547 -1.6203978 20 O -1.5478333 -0.0025494 0.1360959 -0.0167595 -1.6741520 -0.3542936 0.1281666 -0.3661074 -2.0021907 21 O -1.5547453 0.0086864 -0.0749265 0.0414272 -2.3022721 -0.0121721 0.0028207 0.1545547 -1.6203978 22 O -1.5547453 0.0086864 0.0749265 0.0414272 -2.3022721 0.0121721 -0.0028207 -0.1545547 -1.6203978 23 O -1.5547453 -0.0086864 0.0749265 -0.0414272 -2.3022721 -0.0121721 -0.0028207 0.1545547 -1.6203978 24 O -1.5547453 0.0086864 -0.0749265 0.0414272 -2.3022721 -0.0121721 0.0028207 0.1545547 -1.6203978 25 O -2.2895925 -0.0078124 -0.7534625 -0.0355196 -1.4652253 0.2274639 -0.5991984 0.1499768 -1.7506014 26 O -2.2895925 0.0078124 0.7534625 0.0355196 -1.4652253 0.2274639 0.5991984 0.1499768 -1.7506014 27 O -2.2895925 -0.0078124 0.7534625 -0.0355196 -1.4652253 -0.2274639 0.5991984 -0.1499768 -1.7506014 28 O -2.2895925 0.0078124 -0.7534625 0.0355196 -1.4652253 -0.2274639 -0.5991984 -0.1499768 -1.7506014 29 O -2.2895925 -0.0078124 -0.7534625 -0.0355196 -1.4652253 0.2274639 -0.5991984 0.1499768 -1.7506014 30 O -2.2895925 0.0078124 0.7534625 0.0355196 -1.4652253 0.2274639 0.5991984 0.1499768 -1.7506014 31 O -2.2895925 -0.0078124 0.7534625 -0.0355196 -1.4652253 -0.2274639 0.5991984 -0.1499768 -1.7506014 32 O -2.2895925 0.0078124 -0.7534625 0.0355196 -1.4652253 -0.2274639 -0.5991984 -0.1499768 -1.7506014 33 O -1.5669437 0.0048376 -0.0164861 0.0369879 -2.2501446 0.0264658 0.0237922 -0.1173233 -1.6230476 34 O -1.5669437 -0.0048376 0.0164861 -0.0369879 -2.2501446 0.0264658 -0.0237922 -0.1173233 -1.6230476 35 O -1.5669437 0.0048376 0.0164861 0.0369879 -2.2501446 -0.0264658 -0.0237922 0.1173233 -1.6230476 36 O -1.5669437 -0.0048376 -0.0164861 -0.0369879 -2.2501446 -0.0264658 0.0237922 0.1173233 -1.6230476 37 O -1.5669437 0.0048376 -0.0164861 0.0369879 -2.2501446 0.0264658 0.0237922 -0.1173233 -1.6230476 38 O -1.5669437 -0.0048376 0.0164861 -0.0369879 -2.2501446 0.0264658 -0.0237922 -0.1173233 -1.6230476 39 O -1.5669437 0.0048376 0.0164861 0.0369879 -2.2501446 -0.0264658 -0.0237922 0.1173233 -1.6230476 40 O -1.5669437 -0.0048376 -0.0164861 -0.0369879 -2.2501446 -0.0264658 0.0237922 0.1173233 -1.6230476 41 O -1.5478333 0.0025494 0.1360959 0.0167595 -1.6741520 0.3542936 0.1281666 0.3661074 -2.0021907 42 O -1.5478333 -0.0025494 -0.1360959 -0.0167595 -1.6741520 0.3542936 -0.1281666 0.3661074 -2.0021907 43 O -1.5478333 0.0025494 -0.1360959 0.0167595 -1.6741520 -0.3542936 -0.1281666 -0.3661074 -2.0021907 44 O -1.5478333 -0.0025494 0.1360959 -0.0167595 -1.6741520 -0.3542936 0.1281666 -0.3661074 -2.0021907 45 O -1.5478333 0.0025494 0.1360959 0.0167595 -1.6741520 0.3542936 0.1281666 0.3661074 -2.0021907 46 O -1.5478333 -0.0025494 -0.1360959 -0.0167595 -1.6741520 0.3542936 -0.1281666 0.3661074 -2.0021907 47 O -1.5478333 0.0025494 -0.1360959 0.0167595 -1.6741520 -0.3542936 -0.1281666 -0.3661074 -2.0021907 48 O -1.5547453 -0.0086864 -0.0749265 -0.0414272 -2.3022721 0.0121721 0.0028207 -0.1545547 -1.6203978 49 Mg 2.0418135 -0.0029551 0.0256231 0.0144687 2.3307728 0.0033033 0.0289403 -0.0413548 2.3076452 50 Mg 2.0418135 0.0029551 -0.0256231 -0.0144687 2.3307728 0.0033033 -0.0289403 -0.0413548 2.3076452 51 Mg 2.0418135 -0.0029551 -0.0256231 0.0144687 2.3307728 -0.0033033 -0.0289403 0.0413548 2.3076452 52 Mg 2.0418135 0.0029551 0.0256231 -0.0144687 2.3307728 -0.0033033 0.0289403 0.0413548 2.3076452 53 Mg 2.0418135 -0.0029551 0.0256231 0.0144687 2.3307728 0.0033033 0.0289403 -0.0413548 2.3076452 54 Mg 2.0418135 0.0029551 -0.0256231 -0.0144687 2.3307728 0.0033033 -0.0289403 -0.0413548 2.3076452 55 Mg 2.0418135 -0.0029551 -0.0256231 0.0144687 2.3307728 -0.0033033 -0.0289403 0.0413548 2.3076452 56 Mg 2.0418135 0.0029551 0.0256231 -0.0144687 2.3307728 -0.0033033 0.0289403 0.0413548 2.3076452 57 Mg 2.0887072 -0.0016105 0.1931791 -0.0187263 2.3440586 -0.0239696 0.0994510 -0.0065767 2.1497656 58 Mg 2.0887072 0.0016105 -0.1931791 0.0187263 2.3440586 -0.0239696 -0.0994510 -0.0065767 2.1497656 59 Mg 2.0887072 -0.0016105 -0.1931791 -0.0187263 2.3440586 0.0239696 -0.0994510 0.0065767 2.1497656 60 Mg 2.0887072 0.0016105 0.1931791 0.0187263 2.3440586 0.0239696 0.0994510 0.0065767 2.1497656 61 Mg 2.0887072 -0.0016105 0.1931791 -0.0187263 2.3440586 -0.0239696 0.0994510 -0.0065767 2.1497656 62 Mg 2.0887072 0.0016105 -0.1931791 0.0187263 2.3440586 -0.0239696 -0.0994510 -0.0065767 2.1497656 63 Mg 2.0887072 -0.0016105 -0.1931791 -0.0187263 2.3440586 0.0239696 -0.0994510 0.0065767 2.1497656 64 Mg 2.0887072 0.0016105 0.1931791 0.0187263 2.3440586 0.0239696 0.0994510 0.0065767 2.1497656 65 Ge 3.4378016 -0.0170259 0.3601992 -0.0658266 2.9805869 -0.1759673 -0.0738012 0.1917823 3.1495297 66 Ge 3.4378016 0.0170259 -0.3601992 0.0658266 2.9805869 -0.1759673 0.0738012 0.1917823 3.1495297 67 Ge 3.4378016 -0.0170259 -0.3601992 -0.0658266 2.9805869 0.1759673 0.0738012 -0.1917823 3.1495297 68 Ge 3.4378016 0.0170259 0.3601992 0.0658266 2.9805869 0.1759673 -0.0738012 -0.1917823 3.1495297 69 Ge 3.4378016 -0.0170259 0.3601992 -0.0658266 2.9805869 -0.1759673 -0.0738012 0.1917823 3.1495297 70 Ge 3.4378016 0.0170259 -0.3601992 0.0658266 2.9805869 -0.1759673 0.0738012 0.1917823 3.1495297 71 Ge 3.4378016 -0.0170259 -0.3601992 -0.0658266 2.9805869 0.1759673 0.0738012 -0.1917823 3.1495297 72 Ge 3.4378016 0.0170259 0.3601992 0.0658266 2.9805869 0.1759673 -0.0738012 -0.1917823 3.1495297 73 Ge 3.5300667 -0.0327440 0.4198627 -0.0774498 2.9736445 0.1078544 -0.1851660 -0.1975591 2.9731983 74 Ge 3.5300667 0.0327440 -0.4198627 0.0774498 2.9736445 0.1078544 0.1851660 -0.1975591 2.9731983 75 Ge 3.5300667 -0.0327440 -0.4198627 -0.0774498 2.9736445 -0.1078544 0.1851660 0.1975591 2.9731983 76 Ge 3.5300667 0.0327440 0.4198627 0.0774498 2.9736445 -0.1078544 -0.1851660 0.1975591 2.9731983 77 Ge 3.5300667 -0.0327440 0.4198627 -0.0774498 2.9736445 0.1078544 -0.1851660 -0.1975591 2.9731983 78 Ge 3.5300667 0.0327440 -0.4198627 0.0774498 2.9736445 0.1078544 0.1851660 -0.1975591 2.9731983 79 Ge 3.5300667 -0.0327440 -0.4198627 -0.0774498 2.9736445 -0.1078544 0.1851660 0.1975591 2.9731983 80 Ge 3.5300667 0.0327440 0.4198627 0.0774498 2.9736445 -0.1078544 -0.1851660 0.1975591 2.9731983 ---------------------------------------------------------------------------- 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 20, 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) 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 2026-01-07 20:19:27]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 20:19:27]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbca (61) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.360290060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.879781570000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.955982340000002 Atomic positions (fractional): 1 O 0.87128530913094 0.05585077025476 0.32269669397291 15.999 2 O 0.37128530913094 0.44414922974524 0.67730330602709 15.999 3 O 0.62871469086906 0.94414922974524 0.82269669397291 15.999 4 O 0.12871469086906 0.55585077025476 0.17730330602709 15.999 5 O 0.12871469086906 0.94414922974524 0.67730330602709 15.999 6 O 0.62871469086906 0.55585077025476 0.32269669397291 15.999 7 O 0.37128530913094 0.05585077025476 0.17730330602709 15.999 8 O 0.87128530913094 0.44414922974524 0.82269669397291 15.999 9 O 0.83118138463118 0.06966957137456 0.01157668880277 15.999 10 O 0.33118138463118 0.43033042862544 0.98842331119723 15.999 11 O 0.66881861536882 0.93033042862544 0.51157668880277 15.999 12 O 0.16881861536882 0.56966957137456 0.48842331119723 15.999 13 O 0.16881861536882 0.93033042862544 0.98842331119723 15.999 14 O 0.66881861536882 0.56966957137456 0.01157668880277 15.999 15 O 0.33118138463118 0.06966957137456 0.48842331119723 15.999 16 O 0.83118138463118 0.43033042862544 0.51157668880277 15.999 17 O 0.68347586151901 0.93505221441941 0.16208005648454 15.999 18 O 0.18347586151901 0.56494778558059 0.83791994351545 15.999 19 O 0.81652413848099 0.06494778558059 0.66208005648455 15.999 20 O 0.46626524374838 0.18755959804250 0.98408808117153 15.999 21 O 0.31652413848099 0.43505221441941 0.33791994351546 15.999 22 O 0.81652413848099 0.43505221441941 0.16208005648454 15.999 23 O 0.18347586151901 0.93505221441941 0.33791994351546 15.999 24 O 0.68347586151901 0.56494778558059 0.66208005648455 15.999 25 O 0.66446454102460 0.19282882455221 0.29111735925166 15.999 26 O 0.16446454102460 0.30717117544779 0.70888264074833 15.999 27 O 0.83553545897540 0.80717117544779 0.79111735925167 15.999 28 O 0.33553545897540 0.69282882455221 0.20888264074834 15.999 29 O 0.33553545897540 0.80717117544779 0.70888264074833 15.999 30 O 0.83553545897540 0.69282882455221 0.29111735925166 15.999 31 O 0.16446454102460 0.19282882455221 0.20888264074834 15.999 32 O 0.66446454102460 0.30717117544779 0.79111735925167 15.999 33 O 0.48216418716416 0.17855015255059 0.65960636989751 15.999 34 O 0.98216418716416 0.32144984744941 0.34039363010249 15.999 35 O 0.01783581283584 0.82144984744941 0.15960636989751 15.999 36 O 0.51783581283584 0.67855015255059 0.84039363010249 15.999 37 O 0.51783581283584 0.82144984744941 0.34039363010249 15.999 38 O 0.01783581283584 0.67855015255059 0.65960636989751 15.999 39 O 0.98216418716416 0.17855015255059 0.84039363010249 15.999 40 O 0.48216418716416 0.32144984744941 0.15960636989751 15.999 41 O 0.46626524374838 0.31244040195750 0.48408808117153 15.999 42 O 0.96626524374838 0.18755959804250 0.51591191882847 15.999 43 O 0.03373475625162 0.68755959804250 0.98408808117153 15.999 44 O 0.53373475625162 0.81244040195750 0.01591191882847 15.999 45 O 0.53373475625162 0.68755959804250 0.51591191882847 15.999 46 O 0.03373475625162 0.81244040195750 0.48408808117153 15.999 47 O 0.96626524374838 0.31244040195750 0.01591191882847 15.999 48 O 0.31652413848099 0.06494778558059 0.83791994351545 15.999 49 Mg 0.15123237915669 0.12323414506866 0.65716308638945 24.305 50 Mg 0.65123237915669 0.37676585493135 0.34283691361055 24.305 51 Mg 0.34876762084331 0.87676585493134 0.15716308638945 24.305 52 Mg 0.84876762084331 0.62323414506866 0.84283691361055 24.305 53 Mg 0.84876762084331 0.87676585493134 0.34283691361055 24.305 54 Mg 0.34876762084331 0.62323414506866 0.65716308638945 24.305 55 Mg 0.65123237915669 0.12323414506866 0.84283691361055 24.305 56 Mg 0.15123237915669 0.37676585493135 0.15716308638945 24.305 57 Mg 0.15921208951688 0.37777801477053 0.51277886735043 24.305 58 Mg 0.65921208951688 0.12222198522947 0.48722113264957 24.305 59 Mg 0.34078791048312 0.62222198522947 0.01277886735043 24.305 60 Mg 0.84078791048312 0.87777801477053 0.98722113264957 24.305 61 Mg 0.84078791048312 0.62222198522947 0.48722113264957 24.305 62 Mg 0.34078791048312 0.87777801477053 0.51277886735043 24.305 63 Mg 0.65921208951688 0.37777801477053 0.98722113264957 24.305 64 Mg 0.15921208951688 0.12222198522947 0.01277886735043 24.305 65 Ge 0.46218468148087 0.27043280126251 0.65431024331934 72.640 66 Ge 0.96218468148087 0.22956719873750 0.34568975668065 72.640 67 Ge 0.03781531851913 0.72956719873749 0.15431024331935 72.640 68 Ge 0.53781531851913 0.77043280126251 0.84568975668066 72.640 69 Ge 0.53781531851913 0.72956719873749 0.34568975668065 72.640 70 Ge 0.03781531851913 0.77043280126251 0.65431024331934 72.640 71 Ge 0.96218468148087 0.27043280126251 0.84568975668066 72.640 72 Ge 0.46218468148087 0.22956719873750 0.15431024331935 72.640 73 Ge 0.69402764623478 0.47232783465426 0.65985417796116 72.640 74 Ge 0.19402764623478 0.02767216534574 0.34014582203884 72.640 75 Ge 0.80597235376522 0.52767216534574 0.15985417796116 72.640 76 Ge 0.30597235376522 0.97232783465426 0.84014582203884 72.640 77 Ge 0.30597235376522 0.52767216534574 0.34014582203884 72.640 78 Ge 0.80597235376522 0.97232783465426 0.65985417796116 72.640 79 Ge 0.19402764623478 0.47232783465426 0.84014582203884 72.640 80 Ge 0.69402764623478 0.02767216534574 0.15985417796116 72.640 -------------------------------- supercell --------------------------------- Lattice vectors: a 5.360290060000000 0.000000000000000 0.000000000000000 b 0.000000000000000 18.879781570000002 0.000000000000000 c 0.000000000000000 0.000000000000000 8.955982340000002 Atomic positions (fractional): 1 O 0.87128530913094 0.05585077025476 0.32269669397291 15.999 > 1 2 O 0.37128530913094 0.44414922974524 0.67730330602709 15.999 > 2 3 O 0.62871469086906 0.94414922974524 0.82269669397291 15.999 > 3 4 O 0.12871469086906 0.55585077025476 0.17730330602709 15.999 > 4 5 O 0.12871469086906 0.94414922974524 0.67730330602709 15.999 > 5 6 O 0.62871469086906 0.55585077025476 0.32269669397291 15.999 > 6 7 O 0.37128530913094 0.05585077025476 0.17730330602709 15.999 > 7 8 O 0.87128530913094 0.44414922974524 0.82269669397291 15.999 > 8 9 O 0.83118138463118 0.06966957137456 0.01157668880277 15.999 > 9 10 O 0.33118138463118 0.43033042862544 0.98842331119723 15.999 > 10 11 O 0.66881861536882 0.93033042862544 0.51157668880277 15.999 > 11 12 O 0.16881861536882 0.56966957137456 0.48842331119723 15.999 > 12 13 O 0.16881861536882 0.93033042862544 0.98842331119723 15.999 > 13 14 O 0.66881861536882 0.56966957137456 0.01157668880277 15.999 > 14 15 O 0.33118138463118 0.06966957137456 0.48842331119723 15.999 > 15 16 O 0.83118138463118 0.43033042862544 0.51157668880277 15.999 > 16 17 O 0.68347586151901 0.93505221441941 0.16208005648454 15.999 > 17 18 O 0.18347586151901 0.56494778558059 0.83791994351545 15.999 > 18 19 O 0.81652413848099 0.06494778558059 0.66208005648455 15.999 > 19 20 O 0.46626524374838 0.18755959804250 0.98408808117153 15.999 > 20 21 O 0.31652413848099 0.43505221441941 0.33791994351546 15.999 > 21 22 O 0.81652413848099 0.43505221441941 0.16208005648454 15.999 > 22 23 O 0.18347586151901 0.93505221441941 0.33791994351546 15.999 > 23 24 O 0.68347586151901 0.56494778558059 0.66208005648455 15.999 > 24 25 O 0.66446454102460 0.19282882455221 0.29111735925166 15.999 > 25 26 O 0.16446454102460 0.30717117544779 0.70888264074833 15.999 > 26 27 O 0.83553545897540 0.80717117544779 0.79111735925167 15.999 > 27 28 O 0.33553545897540 0.69282882455221 0.20888264074834 15.999 > 28 29 O 0.33553545897540 0.80717117544779 0.70888264074833 15.999 > 29 30 O 0.83553545897540 0.69282882455221 0.29111735925166 15.999 > 30 31 O 0.16446454102460 0.19282882455221 0.20888264074834 15.999 > 31 32 O 0.66446454102460 0.30717117544779 0.79111735925167 15.999 > 32 33 O 0.48216418716416 0.17855015255059 0.65960636989751 15.999 > 33 34 O 0.98216418716416 0.32144984744941 0.34039363010249 15.999 > 34 35 O 0.01783581283584 0.82144984744941 0.15960636989751 15.999 > 35 36 O 0.51783581283584 0.67855015255059 0.84039363010249 15.999 > 36 37 O 0.51783581283584 0.82144984744941 0.34039363010249 15.999 > 37 38 O 0.01783581283584 0.67855015255059 0.65960636989751 15.999 > 38 39 O 0.98216418716416 0.17855015255059 0.84039363010249 15.999 > 39 40 O 0.48216418716416 0.32144984744941 0.15960636989751 15.999 > 40 41 O 0.46626524374838 0.31244040195750 0.48408808117153 15.999 > 41 42 O 0.96626524374838 0.18755959804250 0.51591191882847 15.999 > 42 43 O 0.03373475625162 0.68755959804250 0.98408808117153 15.999 > 43 44 O 0.53373475625162 0.81244040195750 0.01591191882847 15.999 > 44 45 O 0.53373475625162 0.68755959804250 0.51591191882847 15.999 > 45 46 O 0.03373475625162 0.81244040195750 0.48408808117153 15.999 > 46 47 O 0.96626524374838 0.31244040195750 0.01591191882847 15.999 > 47 48 O 0.31652413848099 0.06494778558059 0.83791994351545 15.999 > 48 49 Mg 0.15123237915669 0.12323414506866 0.65716308638945 24.305 > 49 50 Mg 0.65123237915669 0.37676585493135 0.34283691361055 24.305 > 50 51 Mg 0.34876762084331 0.87676585493134 0.15716308638945 24.305 > 51 52 Mg 0.84876762084331 0.62323414506866 0.84283691361055 24.305 > 52 53 Mg 0.84876762084331 0.87676585493134 0.34283691361055 24.305 > 53 54 Mg 0.34876762084331 0.62323414506866 0.65716308638945 24.305 > 54 55 Mg 0.65123237915669 0.12323414506866 0.84283691361055 24.305 > 55 56 Mg 0.15123237915669 0.37676585493135 0.15716308638945 24.305 > 56 57 Mg 0.15921208951688 0.37777801477053 0.51277886735043 24.305 > 57 58 Mg 0.65921208951688 0.12222198522947 0.48722113264957 24.305 > 58 59 Mg 0.34078791048312 0.62222198522947 0.01277886735043 24.305 > 59 60 Mg 0.84078791048312 0.87777801477053 0.98722113264957 24.305 > 60 61 Mg 0.84078791048312 0.62222198522947 0.48722113264957 24.305 > 61 62 Mg 0.34078791048312 0.87777801477053 0.51277886735043 24.305 > 62 63 Mg 0.65921208951688 0.37777801477053 0.98722113264957 24.305 > 63 64 Mg 0.15921208951688 0.12222198522947 0.01277886735043 24.305 > 64 65 Ge 0.46218468148087 0.27043280126251 0.65431024331934 72.640 > 65 66 Ge 0.96218468148087 0.22956719873750 0.34568975668065 72.640 > 66 67 Ge 0.03781531851913 0.72956719873749 0.15431024331935 72.640 > 67 68 Ge 0.53781531851913 0.77043280126251 0.84568975668066 72.640 > 68 69 Ge 0.53781531851913 0.72956719873749 0.34568975668065 72.640 > 69 70 Ge 0.03781531851913 0.77043280126251 0.65431024331934 72.640 > 70 71 Ge 0.96218468148087 0.27043280126251 0.84568975668066 72.640 > 71 72 Ge 0.46218468148087 0.22956719873750 0.15431024331935 72.640 > 72 73 Ge 0.69402764623478 0.47232783465426 0.65985417796116 72.640 > 73 74 Ge 0.19402764623478 0.02767216534574 0.34014582203884 72.640 > 74 75 Ge 0.80597235376522 0.52767216534574 0.15985417796116 72.640 > 75 76 Ge 0.30597235376522 0.97232783465426 0.84014582203884 72.640 > 76 77 Ge 0.30597235376522 0.52767216534574 0.34014582203884 72.640 > 77 78 Ge 0.80597235376522 0.97232783465426 0.65985417796116 72.640 > 78 79 Ge 0.19402764623478 0.47232783465426 0.84014582203884 72.640 > 79 80 Ge 0.69402764623478 0.02767216534574 0.15985417796116 72.640 > 80 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.3748623 0.0000000 0.0000000 0.0000000 3.3543472 0.0000000 0.0000000 0.0000000 3.3184291 -------------------------- Born effective charges -------------------------- 1 O -2.4368799 0.1546196 -0.4626435 0.1649120 -1.3769894 -0.2075354 -0.5316829 -0.1554693 -1.7394163 2 O -2.4368799 -0.1546196 0.4626435 -0.1649120 -1.3769894 -0.2075354 0.5316829 -0.1554693 -1.7394163 3 O -2.4368799 0.1546196 0.4626435 0.1649120 -1.3769894 0.2075354 0.5316829 0.1554693 -1.7394163 4 O -2.4368799 -0.1546196 -0.4626435 -0.1649120 -1.3769894 0.2075354 -0.5316829 0.1554693 -1.7394163 5 O -2.4368799 0.1546196 -0.4626435 0.1649120 -1.3769894 -0.2075354 -0.5316829 -0.1554693 -1.7394163 6 O -2.4368799 -0.1546196 0.4626435 -0.1649120 -1.3769894 -0.2075354 0.5316829 -0.1554693 -1.7394163 7 O -2.4368799 0.1546196 0.4626435 0.1649120 -1.3769894 0.2075354 0.5316829 0.1554693 -1.7394163 8 O -2.4368799 -0.1546196 -0.4626435 -0.1649120 -1.3769894 0.2075354 -0.5316829 0.1554693 -1.7394163 9 O -1.7023943 -0.1694257 -0.0157776 -0.1978222 -1.5602793 0.3452922 0.2179762 0.3445462 -1.8444850 10 O -1.7023943 0.1694257 0.0157776 0.1978222 -1.5602793 0.3452922 -0.2179762 0.3445462 -1.8444850 11 O -1.7023943 -0.1694257 0.0157776 -0.1978222 -1.5602793 -0.3452922 -0.2179762 -0.3445462 -1.8444850 12 O -1.7023943 0.1694257 -0.0157776 0.1978222 -1.5602793 -0.3452922 0.2179762 -0.3445462 -1.8444850 13 O -1.7023943 -0.1694257 -0.0157776 -0.1978222 -1.5602793 0.3452922 0.2179762 0.3445462 -1.8444850 14 O -1.7023943 0.1694257 0.0157776 0.1978222 -1.5602793 0.3452922 -0.2179762 0.3445462 -1.8444850 15 O -1.7023943 -0.1694257 0.0157776 -0.1978222 -1.5602793 -0.3452922 -0.2179762 -0.3445462 -1.8444850 16 O -1.7023943 0.1694257 -0.0157776 0.1978222 -1.5602793 -0.3452922 0.2179762 -0.3445462 -1.8444850 17 O -1.5547453 -0.0086864 -0.0749265 -0.0414272 -2.3022721 0.0121721 0.0028207 -0.1545547 -1.6203978 18 O -1.5547453 0.0086864 0.0749265 0.0414272 -2.3022721 0.0121721 -0.0028207 -0.1545547 -1.6203978 19 O -1.5547453 -0.0086864 0.0749265 -0.0414272 -2.3022721 -0.0121721 -0.0028207 0.1545547 -1.6203978 20 O -1.5478333 -0.0025494 0.1360959 -0.0167595 -1.6741520 -0.3542936 0.1281666 -0.3661074 -2.0021907 21 O -1.5547453 0.0086864 -0.0749265 0.0414272 -2.3022721 -0.0121721 0.0028207 0.1545547 -1.6203978 22 O -1.5547453 0.0086864 0.0749265 0.0414272 -2.3022721 0.0121721 -0.0028207 -0.1545547 -1.6203978 23 O -1.5547453 -0.0086864 0.0749265 -0.0414272 -2.3022721 -0.0121721 -0.0028207 0.1545547 -1.6203978 24 O -1.5547453 0.0086864 -0.0749265 0.0414272 -2.3022721 -0.0121721 0.0028207 0.1545547 -1.6203978 25 O -2.2895925 -0.0078124 -0.7534625 -0.0355196 -1.4652253 0.2274639 -0.5991984 0.1499768 -1.7506014 26 O -2.2895925 0.0078124 0.7534625 0.0355196 -1.4652253 0.2274639 0.5991984 0.1499768 -1.7506014 27 O -2.2895925 -0.0078124 0.7534625 -0.0355196 -1.4652253 -0.2274639 0.5991984 -0.1499768 -1.7506014 28 O -2.2895925 0.0078124 -0.7534625 0.0355196 -1.4652253 -0.2274639 -0.5991984 -0.1499768 -1.7506014 29 O -2.2895925 -0.0078124 -0.7534625 -0.0355196 -1.4652253 0.2274639 -0.5991984 0.1499768 -1.7506014 30 O -2.2895925 0.0078124 0.7534625 0.0355196 -1.4652253 0.2274639 0.5991984 0.1499768 -1.7506014 31 O -2.2895925 -0.0078124 0.7534625 -0.0355196 -1.4652253 -0.2274639 0.5991984 -0.1499768 -1.7506014 32 O -2.2895925 0.0078124 -0.7534625 0.0355196 -1.4652253 -0.2274639 -0.5991984 -0.1499768 -1.7506014 33 O -1.5669437 0.0048376 -0.0164861 0.0369879 -2.2501446 0.0264658 0.0237922 -0.1173233 -1.6230476 34 O -1.5669437 -0.0048376 0.0164861 -0.0369879 -2.2501446 0.0264658 -0.0237922 -0.1173233 -1.6230476 35 O -1.5669437 0.0048376 0.0164861 0.0369879 -2.2501446 -0.0264658 -0.0237922 0.1173233 -1.6230476 36 O -1.5669437 -0.0048376 -0.0164861 -0.0369879 -2.2501446 -0.0264658 0.0237922 0.1173233 -1.6230476 37 O -1.5669437 0.0048376 -0.0164861 0.0369879 -2.2501446 0.0264658 0.0237922 -0.1173233 -1.6230476 38 O -1.5669437 -0.0048376 0.0164861 -0.0369879 -2.2501446 0.0264658 -0.0237922 -0.1173233 -1.6230476 39 O -1.5669437 0.0048376 0.0164861 0.0369879 -2.2501446 -0.0264658 -0.0237922 0.1173233 -1.6230476 40 O -1.5669437 -0.0048376 -0.0164861 -0.0369879 -2.2501446 -0.0264658 0.0237922 0.1173233 -1.6230476 41 O -1.5478333 0.0025494 0.1360959 0.0167595 -1.6741520 0.3542936 0.1281666 0.3661074 -2.0021907 42 O -1.5478333 -0.0025494 -0.1360959 -0.0167595 -1.6741520 0.3542936 -0.1281666 0.3661074 -2.0021907 43 O -1.5478333 0.0025494 -0.1360959 0.0167595 -1.6741520 -0.3542936 -0.1281666 -0.3661074 -2.0021907 44 O -1.5478333 -0.0025494 0.1360959 -0.0167595 -1.6741520 -0.3542936 0.1281666 -0.3661074 -2.0021907 45 O -1.5478333 0.0025494 0.1360959 0.0167595 -1.6741520 0.3542936 0.1281666 0.3661074 -2.0021907 46 O -1.5478333 -0.0025494 -0.1360959 -0.0167595 -1.6741520 0.3542936 -0.1281666 0.3661074 -2.0021907 47 O -1.5478333 0.0025494 -0.1360959 0.0167595 -1.6741520 -0.3542936 -0.1281666 -0.3661074 -2.0021907 48 O -1.5547453 -0.0086864 -0.0749265 -0.0414272 -2.3022721 0.0121721 0.0028207 -0.1545547 -1.6203978 49 Mg 2.0418135 -0.0029551 0.0256231 0.0144687 2.3307728 0.0033033 0.0289403 -0.0413548 2.3076452 50 Mg 2.0418135 0.0029551 -0.0256231 -0.0144687 2.3307728 0.0033033 -0.0289403 -0.0413548 2.3076452 51 Mg 2.0418135 -0.0029551 -0.0256231 0.0144687 2.3307728 -0.0033033 -0.0289403 0.0413548 2.3076452 52 Mg 2.0418135 0.0029551 0.0256231 -0.0144687 2.3307728 -0.0033033 0.0289403 0.0413548 2.3076452 53 Mg 2.0418135 -0.0029551 0.0256231 0.0144687 2.3307728 0.0033033 0.0289403 -0.0413548 2.3076452 54 Mg 2.0418135 0.0029551 -0.0256231 -0.0144687 2.3307728 0.0033033 -0.0289403 -0.0413548 2.3076452 55 Mg 2.0418135 -0.0029551 -0.0256231 0.0144687 2.3307728 -0.0033033 -0.0289403 0.0413548 2.3076452 56 Mg 2.0418135 0.0029551 0.0256231 -0.0144687 2.3307728 -0.0033033 0.0289403 0.0413548 2.3076452 57 Mg 2.0887072 -0.0016105 0.1931791 -0.0187263 2.3440586 -0.0239696 0.0994510 -0.0065767 2.1497656 58 Mg 2.0887072 0.0016105 -0.1931791 0.0187263 2.3440586 -0.0239696 -0.0994510 -0.0065767 2.1497656 59 Mg 2.0887072 -0.0016105 -0.1931791 -0.0187263 2.3440586 0.0239696 -0.0994510 0.0065767 2.1497656 60 Mg 2.0887072 0.0016105 0.1931791 0.0187263 2.3440586 0.0239696 0.0994510 0.0065767 2.1497656 61 Mg 2.0887072 -0.0016105 0.1931791 -0.0187263 2.3440586 -0.0239696 0.0994510 -0.0065767 2.1497656 62 Mg 2.0887072 0.0016105 -0.1931791 0.0187263 2.3440586 -0.0239696 -0.0994510 -0.0065767 2.1497656 63 Mg 2.0887072 -0.0016105 -0.1931791 -0.0187263 2.3440586 0.0239696 -0.0994510 0.0065767 2.1497656 64 Mg 2.0887072 0.0016105 0.1931791 0.0187263 2.3440586 0.0239696 0.0994510 0.0065767 2.1497656 65 Ge 3.4378016 -0.0170259 0.3601992 -0.0658266 2.9805869 -0.1759673 -0.0738012 0.1917823 3.1495297 66 Ge 3.4378016 0.0170259 -0.3601992 0.0658266 2.9805869 -0.1759673 0.0738012 0.1917823 3.1495297 67 Ge 3.4378016 -0.0170259 -0.3601992 -0.0658266 2.9805869 0.1759673 0.0738012 -0.1917823 3.1495297 68 Ge 3.4378016 0.0170259 0.3601992 0.0658266 2.9805869 0.1759673 -0.0738012 -0.1917823 3.1495297 69 Ge 3.4378016 -0.0170259 0.3601992 -0.0658266 2.9805869 -0.1759673 -0.0738012 0.1917823 3.1495297 70 Ge 3.4378016 0.0170259 -0.3601992 0.0658266 2.9805869 -0.1759673 0.0738012 0.1917823 3.1495297 71 Ge 3.4378016 -0.0170259 -0.3601992 -0.0658266 2.9805869 0.1759673 0.0738012 -0.1917823 3.1495297 72 Ge 3.4378016 0.0170259 0.3601992 0.0658266 2.9805869 0.1759673 -0.0738012 -0.1917823 3.1495297 73 Ge 3.5300667 -0.0327440 0.4198627 -0.0774498 2.9736445 0.1078544 -0.1851660 -0.1975591 2.9731983 74 Ge 3.5300667 0.0327440 -0.4198627 0.0774498 2.9736445 0.1078544 0.1851660 -0.1975591 2.9731983 75 Ge 3.5300667 -0.0327440 -0.4198627 -0.0774498 2.9736445 -0.1078544 0.1851660 0.1975591 2.9731983 76 Ge 3.5300667 0.0327440 0.4198627 0.0774498 2.9736445 -0.1078544 -0.1851660 0.1975591 2.9731983 77 Ge 3.5300667 -0.0327440 0.4198627 -0.0774498 2.9736445 0.1078544 -0.1851660 -0.1975591 2.9731983 78 Ge 3.5300667 0.0327440 -0.4198627 0.0774498 2.9736445 0.1078544 0.1851660 -0.1975591 2.9731983 79 Ge 3.5300667 -0.0327440 -0.4198627 -0.0774498 2.9736445 -0.1078544 0.1851660 0.1975591 2.9731983 80 Ge 3.5300667 0.0327440 0.4198627 0.0774498 2.9736445 -0.1078544 -0.1851660 0.1975591 2.9731983 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000000 (yyy) 0.00000000 (yyy) 0.00000000 (yyy) Max drift of fc2: 0.00000000 (xx) 0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 3 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 295, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/40) ======================= 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 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 1.673 ( 0.000 0.000 0.000) 0.000 1.875 ( 0.000 0.000 0.000) 0.000 1.917 ( 0.000 0.000 0.000) 0.000 1.954 ( 0.000 0.000 0.000) 0.000 2.434 ( 0.000 0.000 0.000) 0.000 2.936 ( 0.000 0.000 0.000) 0.000 2.949 ( 0.000 0.000 0.000) 0.000 2.974 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.251 ( 0.000 0.000 0.000) 0.000 3.272 ( 0.000 0.000 0.000) 0.000 3.391 ( 0.000 0.000 0.000) 0.000 3.402 ( 0.000 0.000 0.000) 0.000 3.432 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.658 ( 0.000 0.000 0.000) 0.000 4.117 ( 0.000 0.000 0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.180 ( 0.000 0.000 0.000) 0.000 4.422 ( 0.000 0.000 0.000) 0.000 4.432 ( 0.000 0.000 0.000) 0.000 4.495 ( 0.000 0.000 0.000) 0.000 4.500 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.682 ( 0.000 0.000 0.000) 0.000 4.718 ( 0.000 0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.152 ( 0.000 0.000 0.000) 0.000 5.233 ( 0.000 0.000 0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.351 ( 0.000 0.000 0.000) 0.000 5.359 ( 0.000 0.000 0.000) 0.000 5.410 ( 0.000 0.000 0.000) 0.000 5.426 ( 0.000 0.000 0.000) 0.000 5.493 ( 0.000 0.000 0.000) 0.000 5.664 ( 0.000 0.000 0.000) 0.000 5.687 ( 0.000 0.000 0.000) 0.000 5.806 ( 0.000 0.000 0.000) 0.000 5.887 ( 0.000 0.000 0.000) 0.000 5.922 ( 0.000 0.000 0.000) 0.000 5.950 ( 0.000 0.000 0.000) 0.000 5.959 ( 0.000 0.000 0.000) 0.000 6.073 ( 0.000 0.000 0.000) 0.000 6.090 ( 0.000 0.000 0.000) 0.000 6.123 ( 0.000 0.000 0.000) 0.000 6.325 ( 0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.566 ( 0.000 0.000 0.000) 0.000 6.674 ( 0.000 0.000 0.000) 0.000 6.679 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.754 ( 0.000 0.000 0.000) 0.000 6.825 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.866 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 6.980 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 0.000) 0.000 7.119 ( 0.000 0.000 0.000) 0.000 7.192 ( 0.000 0.000 0.000) 0.000 7.272 ( 0.000 0.000 0.000) 0.000 7.319 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.436 ( 0.000 0.000 0.000) 0.000 7.500 ( 0.000 0.000 0.000) 0.000 7.524 ( 0.000 0.000 0.000) 0.000 7.619 ( 0.000 0.000 0.000) 0.000 7.749 ( 0.000 0.000 0.000) 0.000 7.797 ( 0.000 0.000 0.000) 0.000 7.836 ( 0.000 0.000 0.000) 0.000 7.873 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.894 ( 0.000 0.000 0.000) 0.000 7.996 ( 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 8.243 ( 0.000 0.000 0.000) 0.000 8.252 ( 0.000 0.000 0.000) 0.000 8.388 ( 0.000 0.000 0.000) 0.000 8.451 ( 0.000 0.000 0.000) 0.000 8.528 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.570 ( 0.000 0.000 0.000) 0.000 8.680 ( 0.000 0.000 0.000) 0.000 8.775 ( 0.000 0.000 0.000) 0.000 8.795 ( 0.000 0.000 0.000) 0.000 8.941 ( 0.000 0.000 0.000) 0.000 9.121 ( 0.000 0.000 0.000) 0.000 9.130 ( 0.000 0.000 0.000) 0.000 9.131 ( 0.000 0.000 0.000) 0.000 9.153 ( 0.000 0.000 0.000) 0.000 9.176 ( 0.000 0.000 0.000) 0.000 9.336 ( 0.000 0.000 0.000) 0.000 9.410 ( 0.000 0.000 0.000) 0.000 9.446 ( 0.000 0.000 0.000) 0.000 9.532 ( 0.000 0.000 0.000) 0.000 9.623 ( 0.000 0.000 0.000) 0.000 9.647 ( 0.000 0.000 0.000) 0.000 9.655 ( 0.000 0.000 0.000) 0.000 9.656 ( 0.000 0.000 0.000) 0.000 9.764 ( 0.000 0.000 0.000) 0.000 9.821 ( 0.000 0.000 0.000) 0.000 9.853 ( 0.000 0.000 0.000) 0.000 9.919 ( 0.000 0.000 0.000) 0.000 9.980 ( 0.000 0.000 0.000) 0.000 10.079 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.187 ( 0.000 0.000 0.000) 0.000 10.351 ( 0.000 0.000 0.000) 0.000 10.435 ( 0.000 0.000 0.000) 0.000 10.467 ( 0.000 0.000 0.000) 0.000 10.481 ( 0.000 0.000 0.000) 0.000 10.569 ( 0.000 0.000 0.000) 0.000 10.654 ( 0.000 0.000 0.000) 0.000 10.670 ( 0.000 0.000 0.000) 0.000 10.679 ( 0.000 0.000 0.000) 0.000 10.684 ( 0.000 0.000 0.000) 0.000 10.774 ( 0.000 0.000 0.000) 0.000 10.819 ( 0.000 0.000 0.000) 0.000 11.013 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.124 ( 0.000 0.000 0.000) 0.000 11.199 ( 0.000 0.000 0.000) 0.000 11.216 ( 0.000 0.000 0.000) 0.000 11.367 ( 0.000 0.000 0.000) 0.000 11.450 ( 0.000 0.000 0.000) 0.000 11.576 ( 0.000 0.000 0.000) 0.000 11.680 ( 0.000 0.000 0.000) 0.000 11.691 ( 0.000 0.000 0.000) 0.000 11.776 ( 0.000 0.000 0.000) 0.000 11.788 ( 0.000 0.000 0.000) 0.000 11.821 ( 0.000 0.000 0.000) 0.000 11.925 ( 0.000 0.000 0.000) 0.000 11.969 ( 0.000 0.000 0.000) 0.000 12.066 ( 0.000 0.000 0.000) 0.000 12.168 ( 0.000 0.000 0.000) 0.000 12.177 ( 0.000 0.000 0.000) 0.000 12.210 ( 0.000 0.000 0.000) 0.000 12.219 ( 0.000 0.000 0.000) 0.000 12.331 ( 0.000 0.000 0.000) 0.000 12.332 ( 0.000 0.000 0.000) 0.000 12.436 ( 0.000 0.000 0.000) 0.000 12.442 ( 0.000 0.000 0.000) 0.000 12.445 ( 0.000 0.000 0.000) 0.000 12.516 ( 0.000 0.000 0.000) 0.000 12.672 ( 0.000 0.000 0.000) 0.000 12.714 ( 0.000 0.000 0.000) 0.000 12.795 ( 0.000 0.000 0.000) 0.000 12.897 ( 0.000 0.000 0.000) 0.000 12.995 ( 0.000 0.000 0.000) 0.000 13.051 ( 0.000 0.000 0.000) 0.000 13.069 ( 0.000 0.000 0.000) 0.000 13.186 ( 0.000 0.000 0.000) 0.000 13.200 ( 0.000 0.000 0.000) 0.000 13.293 ( 0.000 0.000 0.000) 0.000 13.367 ( 0.000 0.000 0.000) 0.000 13.512 ( 0.000 0.000 0.000) 0.000 13.513 ( 0.000 0.000 0.000) 0.000 13.547 ( 0.000 0.000 0.000) 0.000 13.800 ( 0.000 0.000 0.000) 0.000 13.840 ( 0.000 0.000 0.000) 0.000 13.947 ( 0.000 0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.122 ( 0.000 0.000 0.000) 0.000 14.144 ( 0.000 0.000 0.000) 0.000 14.207 ( 0.000 0.000 0.000) 0.000 14.244 ( 0.000 0.000 0.000) 0.000 14.358 ( 0.000 0.000 0.000) 0.000 15.364 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 0.000 0.000) 0.000 15.634 ( 0.000 0.000 0.000) 0.000 15.658 ( 0.000 0.000 0.000) 0.000 15.691 ( 0.000 0.000 0.000) 0.000 15.802 ( 0.000 0.000 0.000) 0.000 15.868 ( 0.000 0.000 0.000) 0.000 15.885 ( 0.000 0.000 0.000) 0.000 16.390 ( 0.000 0.000 0.000) 0.000 16.445 ( 0.000 0.000 0.000) 0.000 16.450 ( 0.000 0.000 0.000) 0.000 16.467 ( 0.000 0.000 0.000) 0.000 16.765 ( 0.000 0.000 0.000) 0.000 16.816 ( 0.000 0.000 0.000) 0.000 17.218 ( 0.000 0.000 0.000) 0.000 17.243 ( 0.000 0.000 0.000) 0.000 19.817 ( 0.000 0.000 0.000) 0.000 19.818 ( 0.000 0.000 0.000) 0.000 19.851 ( 0.000 0.000 0.000) 0.000 19.853 ( 0.000 0.000 0.000) 0.000 20.615 ( 0.000 0.000 0.000) 0.000 20.620 ( 0.000 0.000 0.000) 0.000 20.955 ( 0.000 0.000 0.000) 0.000 20.957 ( 0.000 0.000 0.000) 0.000 21.769 ( 0.000 0.000 0.000) 0.000 22.008 ( 0.000 0.000 0.000) 0.000 22.009 ( 0.000 0.000 0.000) 0.000 22.123 ( 0.000 0.000 0.000) 0.000 22.161 ( 0.000 0.000 0.000) 0.000 22.285 ( 0.000 0.000 0.000) 0.000 22.316 ( 0.000 0.000 0.000) 0.000 22.332 ( 0.000 0.000 0.000) 0.000 22.398 ( 0.000 0.000 0.000) 0.000 22.401 ( 0.000 0.000 0.000) 0.000 22.602 ( 0.000 0.000 0.000) 0.000 22.623 ( 0.000 0.000 0.000) 0.000 22.639 ( 0.000 0.000 0.000) 0.000 22.711 ( 0.000 0.000 0.000) 0.000 22.845 ( 0.000 0.000 0.000) 0.000 23.387 ( 0.000 0.000 0.000) 0.000 23.561 ( 0.000 0.000 0.000) 0.000 23.777 ( 0.000 0.000 0.000) 0.000 23.892 ( 0.000 0.000 0.000) 0.000 23.943 ( 0.000 0.000 0.000) 0.000 24.097 ( 0.000 0.000 0.000) 0.000 24.099 ( 0.000 0.000 0.000) 0.000 24.162 ( 0.000 0.000 0.000) 0.000 24.406 ( 0.000 0.000 0.000) 0.000 24.622 ( 0.000 0.000 0.000) 0.000 24.690 ( 0.000 0.000 0.000) 0.000 24.692 ( 0.000 0.000 0.000) 0.000 24.747 ( 0.000 0.000 0.000) 0.000 24.785 ( 0.000 0.000 0.000) 0.000 24.824 ( 0.000 0.000 0.000) 0.000 24.996 ( 0.000 0.000 0.000) 0.000 25.019 ( 0.000 0.000 0.000) 0.000 25.128 ( 0.000 0.000 0.000) 0.000 25.581 ( 0.000 0.000 0.000) 0.000 25.597 ( 0.000 0.000 0.000) 0.000 25.694 ( 0.000 0.000 0.000) 0.000 25.699 ( 0.000 0.000 0.000) 0.000 26.016 ( 0.000 0.000 0.000) 0.000 26.365 ( 0.000 0.000 0.000) 0.000 26.528 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/40) ======================= q-point: ( 0.11 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( 25.423 0.000 0.000) 25.423 0.682 ( 33.129 0.000 0.000) 33.129 1.141 ( 53.356 0.000 0.000) 53.356 1.825 ( 13.659 0.000 0.000) 13.659 1.880 ( 1.347 0.000 0.000) 1.347 1.981 ( 9.892 0.000 0.000) 9.892 2.028 ( 7.270 0.000 0.000) 7.270 2.714 ( 23.066 0.000 0.000) 23.066 2.954 ( 2.105 0.000 0.000) 2.105 3.110 ( 10.906 0.000 0.000) 10.906 3.131 ( 1.155 0.000 0.000) 1.155 3.174 ( 22.125 0.000 0.000) 22.125 3.302 ( 5.354 0.000 0.000) 5.354 3.320 ( 20.207 0.000 0.000) 20.207 3.349 ( 7.046 0.000 0.000) 7.046 3.466 ( 3.137 0.000 0.000) 3.137 3.561 ( 10.383 0.000 0.000) 10.383 3.607 ( 19.519 0.000 0.000) 19.519 3.775 ( 24.566 0.000 0.000) 24.566 3.904 ( 21.158 0.000 0.000) 21.158 4.173 ( 5.233 0.000 0.000) 5.233 4.174 ( -0.685 0.000 0.000) 0.685 4.345 ( -6.050 0.000 0.000) 6.050 4.347 ( 9.532 0.000 0.000) 9.532 4.442 ( 1.727 0.000 0.000) 1.727 4.451 ( -0.995 0.000 0.000) 0.995 4.454 ( 2.837 0.000 0.000) 2.837 4.652 ( 6.100 0.000 0.000) 6.100 4.743 ( 5.520 0.000 0.000) 5.520 4.789 ( -0.069 0.000 0.000) 0.069 5.035 ( -15.913 0.000 0.000) 15.913 5.072 ( -2.786 0.000 0.000) 2.786 5.116 ( 3.929 0.000 0.000) 3.929 5.170 ( 1.719 0.000 0.000) 1.719 5.204 ( -12.570 0.000 0.000) 12.570 5.251 ( -7.568 0.000 0.000) 7.568 5.344 ( -6.944 0.000 0.000) 6.944 5.362 ( -6.204 0.000 0.000) 6.204 5.379 ( -0.133 0.000 0.000) 0.133 5.386 ( -8.901 0.000 0.000) 8.901 5.657 ( -12.482 0.000 0.000) 12.482 5.665 ( -0.101 0.000 0.000) 0.101 5.742 ( -2.847 0.000 0.000) 2.847 5.793 ( -1.378 0.000 0.000) 1.378 5.855 ( 6.833 0.000 0.000) 6.833 5.887 ( -1.959 0.000 0.000) 1.959 5.890 ( -10.407 0.000 0.000) 10.407 6.061 ( -6.215 0.000 0.000) 6.215 6.095 ( 3.058 0.000 0.000) 3.058 6.361 ( 13.610 0.000 0.000) 13.610 6.385 ( 1.371 0.000 0.000) 1.371 6.393 ( -6.255 0.000 0.000) 6.255 6.477 ( 0.809 0.000 0.000) 0.809 6.623 ( -9.361 0.000 0.000) 9.361 6.636 ( -2.017 0.000 0.000) 2.017 6.700 ( -3.279 0.000 0.000) 3.279 6.758 ( 0.712 0.000 0.000) 0.712 6.782 ( 4.984 0.000 0.000) 4.984 6.819 ( -2.665 0.000 0.000) 2.665 6.922 ( -11.431 0.000 0.000) 11.431 6.943 ( 2.722 0.000 0.000) 2.722 6.953 ( -1.776 0.000 0.000) 1.776 7.058 ( 8.594 0.000 0.000) 8.594 7.132 ( -3.554 0.000 0.000) 3.554 7.163 ( 2.243 0.000 0.000) 2.243 7.195 ( -11.967 0.000 0.000) 11.967 7.262 ( 0.499 0.000 0.000) 0.499 7.383 ( 0.791 0.000 0.000) 0.791 7.405 ( 5.426 0.000 0.000) 5.426 7.451 ( -5.370 0.000 0.000) 5.370 7.465 ( 1.431 0.000 0.000) 1.431 7.558 ( -3.719 0.000 0.000) 3.719 7.566 ( 4.038 0.000 0.000) 4.038 7.609 ( -14.944 0.000 0.000) 14.944 7.743 ( -15.002 0.000 0.000) 15.002 7.795 ( 4.712 0.000 0.000) 4.712 7.893 ( -0.789 0.000 0.000) 0.789 7.904 ( 7.830 0.000 0.000) 7.830 7.922 ( 2.123 0.000 0.000) 2.123 8.071 ( 4.822 0.000 0.000) 4.822 8.120 ( 16.615 0.000 0.000) 16.615 8.223 ( -2.752 0.000 0.000) 2.752 8.263 ( 2.392 0.000 0.000) 2.392 8.279 ( -0.075 0.000 0.000) 0.075 8.466 ( -6.412 0.000 0.000) 6.412 8.467 ( 7.784 0.000 0.000) 7.784 8.498 ( -6.323 0.000 0.000) 6.323 8.536 ( -1.915 0.000 0.000) 1.915 8.623 ( 13.078 0.000 0.000) 13.078 8.717 ( 2.272 0.000 0.000) 2.272 8.759 ( -2.364 0.000 0.000) 2.364 8.791 ( -0.743 0.000 0.000) 0.743 8.972 ( 2.556 0.000 0.000) 2.556 9.111 ( 2.188 0.000 0.000) 2.188 9.142 ( 0.964 0.000 0.000) 0.964 9.173 ( 0.636 0.000 0.000) 0.636 9.177 ( 2.820 0.000 0.000) 2.820 9.284 ( -2.088 0.000 0.000) 2.088 9.375 ( 12.929 0.000 0.000) 12.929 9.383 ( -4.314 0.000 0.000) 4.314 9.401 ( 0.424 0.000 0.000) 0.424 9.476 ( -2.000 0.000 0.000) 2.000 9.647 ( -1.964 0.000 0.000) 1.964 9.670 ( 2.066 0.000 0.000) 2.066 9.671 ( 4.259 0.000 0.000) 4.259 9.679 ( -1.986 0.000 0.000) 1.986 9.738 ( -2.592 0.000 0.000) 2.592 9.878 ( 3.928 0.000 0.000) 3.928 9.901 ( 3.425 0.000 0.000) 3.425 9.912 ( -6.375 0.000 0.000) 6.375 10.025 ( 3.583 0.000 0.000) 3.583 10.103 ( 3.949 0.000 0.000) 3.949 10.136 ( -0.185 0.000 0.000) 0.185 10.184 ( -2.067 0.000 0.000) 2.067 10.357 ( -4.448 0.000 0.000) 4.448 10.386 ( 8.218 0.000 0.000) 8.218 10.471 ( -0.680 0.000 0.000) 0.680 10.571 ( 6.388 0.000 0.000) 6.388 10.579 ( 0.642 0.000 0.000) 0.642 10.613 ( -1.189 0.000 0.000) 1.189 10.670 ( 8.344 0.000 0.000) 8.344 10.752 ( 7.507 0.000 0.000) 7.507 10.776 ( 5.151 0.000 0.000) 5.151 10.843 ( 1.780 0.000 0.000) 1.780 10.855 ( 2.990 0.000 0.000) 2.990 11.004 ( -1.588 0.000 0.000) 1.588 11.046 ( 3.118 0.000 0.000) 3.118 11.049 ( -0.646 0.000 0.000) 0.646 11.180 ( 0.247 0.000 0.000) 0.247 11.255 ( 7.941 0.000 0.000) 7.941 11.314 ( 6.894 0.000 0.000) 6.894 11.419 ( -5.109 0.000 0.000) 5.109 11.549 ( -5.041 0.000 0.000) 5.041 11.552 ( -1.234 0.000 0.000) 1.234 11.639 ( -4.198 0.000 0.000) 4.198 11.658 ( -0.914 0.000 0.000) 0.914 11.678 ( -7.811 0.000 0.000) 7.811 11.782 ( -1.928 0.000 0.000) 1.928 11.897 ( -4.632 0.000 0.000) 4.632 11.930 ( -4.109 0.000 0.000) 4.109 11.965 ( 6.666 0.000 0.000) 6.666 11.995 ( -8.876 0.000 0.000) 8.876 12.070 ( 2.586 0.000 0.000) 2.586 12.121 ( -5.525 0.000 0.000) 5.525 12.237 ( -10.303 0.000 0.000) 10.303 12.299 ( 0.493 0.000 0.000) 0.493 12.306 ( -17.529 0.000 0.000) 17.529 12.326 ( -8.360 0.000 0.000) 8.360 12.395 ( -4.859 0.000 0.000) 4.859 12.399 ( 11.021 0.000 0.000) 11.021 12.483 ( 11.480 0.000 0.000) 11.480 12.661 ( -4.547 0.000 0.000) 4.547 12.719 ( 3.884 0.000 0.000) 3.884 12.874 ( 4.566 0.000 0.000) 4.566 12.883 ( -14.058 0.000 0.000) 14.058 12.907 ( -12.498 0.000 0.000) 12.498 12.959 ( 4.097 0.000 0.000) 4.097 12.993 ( 1.320 0.000 0.000) 1.320 13.179 ( -2.031 0.000 0.000) 2.031 13.202 ( 0.363 0.000 0.000) 0.363 13.271 ( -2.574 0.000 0.000) 2.574 13.328 ( -1.473 0.000 0.000) 1.473 13.539 ( -4.549 0.000 0.000) 4.549 13.576 ( 2.947 0.000 0.000) 2.947 13.587 ( 4.709 0.000 0.000) 4.709 13.592 ( 5.945 0.000 0.000) 5.945 13.842 ( -0.857 0.000 0.000) 0.857 13.924 ( -1.706 0.000 0.000) 1.706 13.950 ( -3.555 0.000 0.000) 3.555 14.011 ( 2.647 0.000 0.000) 2.647 14.040 ( 14.075 0.000 0.000) 14.075 14.163 ( 3.368 0.000 0.000) 3.368 14.218 ( 6.509 0.000 0.000) 6.509 14.306 ( 5.069 0.000 0.000) 5.069 14.430 ( 6.297 0.000 0.000) 6.297 15.319 ( -3.168 0.000 0.000) 3.168 15.339 ( -3.435 0.000 0.000) 3.435 15.470 ( -3.356 0.000 0.000) 3.356 15.624 ( -3.153 0.000 0.000) 3.153 15.624 ( -1.480 0.000 0.000) 1.480 15.659 ( -3.083 0.000 0.000) 3.083 15.774 ( -2.690 0.000 0.000) 2.690 15.842 ( -2.554 0.000 0.000) 2.554 15.900 ( -7.677 0.000 0.000) 7.677 16.416 ( 1.636 0.000 0.000) 1.636 16.442 ( -0.440 0.000 0.000) 0.440 16.525 ( 4.586 0.000 0.000) 4.586 16.727 ( -3.602 0.000 0.000) 3.602 16.777 ( -3.653 0.000 0.000) 3.653 17.170 ( -4.473 0.000 0.000) 4.473 17.195 ( -4.511 0.000 0.000) 4.511 17.235 ( -4.920 0.000 0.000) 4.920 19.878 ( 5.026 0.000 0.000) 5.026 19.902 ( 4.758 0.000 0.000) 4.758 19.965 ( 10.408 0.000 0.000) 10.408 20.611 ( -0.351 0.000 0.000) 0.351 20.614 ( -0.517 0.000 0.000) 0.517 20.671 ( 1.177 0.000 0.000) 1.177 20.944 ( -1.225 0.000 0.000) 1.225 20.945 ( -0.996 0.000 0.000) 0.996 21.777 ( 0.660 0.000 0.000) 0.660 22.065 ( 4.789 0.000 0.000) 4.789 22.075 ( -3.457 0.000 0.000) 3.457 22.101 ( -3.872 0.000 0.000) 3.872 22.329 ( 0.145 0.000 0.000) 0.145 22.364 ( 4.165 0.000 0.000) 4.165 22.406 ( 5.305 0.000 0.000) 5.305 22.420 ( 4.055 0.000 0.000) 4.055 22.458 ( 5.731 0.000 0.000) 5.731 22.495 ( -5.981 0.000 0.000) 5.981 22.572 ( -4.656 0.000 0.000) 4.656 22.713 ( 3.608 0.000 0.000) 3.608 22.719 ( 0.823 0.000 0.000) 0.823 22.830 ( -1.314 0.000 0.000) 1.314 23.238 ( -5.498 0.000 0.000) 5.498 23.487 ( -4.858 0.000 0.000) 4.858 23.643 ( -2.296 0.000 0.000) 2.296 23.767 ( -1.048 0.000 0.000) 1.048 23.878 ( -1.339 0.000 0.000) 1.339 23.996 ( -9.683 0.000 0.000) 9.683 23.999 ( -8.328 0.000 0.000) 8.328 24.102 ( 0.374 0.000 0.000) 0.374 24.155 ( -0.846 0.000 0.000) 0.846 24.291 ( -9.824 0.000 0.000) 9.824 24.625 ( 0.075 0.000 0.000) 0.075 24.676 ( -1.324 0.000 0.000) 1.324 24.682 ( -0.731 0.000 0.000) 0.731 24.755 ( 0.091 0.000 0.000) 0.091 24.783 ( -0.038 0.000 0.000) 0.038 24.826 ( 0.323 0.000 0.000) 0.323 25.039 ( 1.200 0.000 0.000) 1.200 25.091 ( -1.038 0.000 0.000) 1.038 25.139 ( 0.143 0.000 0.000) 0.143 25.544 ( -3.414 0.000 0.000) 3.414 25.561 ( -3.417 0.000 0.000) 3.417 25.640 ( -4.954 0.000 0.000) 4.954 25.647 ( -4.638 0.000 0.000) 4.638 26.077 ( -12.404 0.000 0.000) 12.404 26.205 ( -12.804 0.000 0.000) 12.804 26.468 ( -6.679 0.000 0.000) 6.679 ======================= Grid point 2 (3/40) ======================= q-point: ( 0.22 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.048 ( 28.800 0.000 0.000) 28.800 1.376 ( 33.769 0.000 0.000) 33.769 1.865 ( 16.839 0.000 0.000) 16.839 2.171 ( 17.669 0.000 0.000) 17.669 2.253 ( 14.065 0.000 0.000) 14.065 2.260 ( 16.136 0.000 0.000) 16.136 2.425 ( 49.976 0.000 0.000) 49.976 3.036 ( 5.863 0.000 0.000) 5.863 3.182 ( 4.182 0.000 0.000) 4.182 3.207 ( 21.480 0.000 0.000) 21.480 3.385 ( 12.581 0.000 0.000) 12.581 3.508 ( 5.772 0.000 0.000) 5.772 3.517 ( 16.416 0.000 0.000) 16.416 3.571 ( 7.776 0.000 0.000) 7.776 3.787 ( 31.454 0.000 0.000) 31.454 3.816 ( 23.555 0.000 0.000) 23.555 3.834 ( 14.742 0.000 0.000) 14.742 4.018 ( 12.896 0.000 0.000) 12.896 4.128 ( -0.869 0.000 0.000) 0.869 4.141 ( -2.937 0.000 0.000) 2.937 4.310 ( 5.634 0.000 0.000) 5.634 4.323 ( 7.421 0.000 0.000) 7.421 4.343 ( 18.985 0.000 0.000) 18.985 4.467 ( 16.698 0.000 0.000) 16.698 4.469 ( 7.274 0.000 0.000) 7.274 4.475 ( 0.457 0.000 0.000) 0.457 4.589 ( -22.858 0.000 0.000) 22.858 4.705 ( -3.528 0.000 0.000) 3.528 4.772 ( 2.566 0.000 0.000) 2.566 4.796 ( 15.596 0.000 0.000) 15.596 4.875 ( -16.116 0.000 0.000) 16.116 4.898 ( -21.278 0.000 0.000) 21.278 4.954 ( 16.548 0.000 0.000) 16.548 5.008 ( -6.160 0.000 0.000) 6.160 5.109 ( -9.202 0.000 0.000) 9.202 5.123 ( -10.214 0.000 0.000) 10.214 5.215 ( -8.018 0.000 0.000) 8.018 5.269 ( 1.579 0.000 0.000) 1.579 5.281 ( 10.543 0.000 0.000) 10.543 5.305 ( -9.115 0.000 0.000) 9.115 5.435 ( -7.498 0.000 0.000) 7.498 5.615 ( -7.558 0.000 0.000) 7.558 5.678 ( 0.298 0.000 0.000) 0.298 5.756 ( -1.600 0.000 0.000) 1.600 5.774 ( 0.477 0.000 0.000) 0.477 5.852 ( -2.321 0.000 0.000) 2.321 5.899 ( -7.512 0.000 0.000) 7.512 6.031 ( -6.923 0.000 0.000) 6.923 6.126 ( 7.490 0.000 0.000) 7.490 6.339 ( -4.391 0.000 0.000) 4.391 6.362 ( -2.206 0.000 0.000) 2.206 6.364 ( -7.024 0.000 0.000) 7.024 6.418 ( 5.556 0.000 0.000) 5.556 6.512 ( -0.961 0.000 0.000) 0.961 6.636 ( -12.044 0.000 0.000) 12.044 6.676 ( -9.200 0.000 0.000) 9.200 6.720 ( -18.697 0.000 0.000) 18.697 6.720 ( 5.130 0.000 0.000) 5.130 6.741 ( 5.202 0.000 0.000) 5.202 6.779 ( -4.461 0.000 0.000) 4.461 6.927 ( 2.404 0.000 0.000) 2.404 7.034 ( 2.633 0.000 0.000) 2.633 7.042 ( -7.132 0.000 0.000) 7.132 7.172 ( 6.689 0.000 0.000) 6.689 7.247 ( 17.649 0.000 0.000) 17.649 7.263 ( -1.764 0.000 0.000) 1.764 7.302 ( 12.311 0.000 0.000) 12.311 7.360 ( -2.137 0.000 0.000) 2.137 7.422 ( 4.565 0.000 0.000) 4.565 7.456 ( -1.614 0.000 0.000) 1.614 7.504 ( 4.481 0.000 0.000) 4.481 7.521 ( 0.568 0.000 0.000) 0.568 7.526 ( 6.421 0.000 0.000) 6.421 7.532 ( -1.668 0.000 0.000) 1.668 7.632 ( 0.526 0.000 0.000) 0.526 7.850 ( -2.794 0.000 0.000) 2.794 7.925 ( 6.996 0.000 0.000) 6.996 7.966 ( 0.358 0.000 0.000) 0.358 8.002 ( 0.284 0.000 0.000) 0.284 8.110 ( -7.150 0.000 0.000) 7.150 8.188 ( -16.364 0.000 0.000) 16.364 8.215 ( 9.694 0.000 0.000) 9.694 8.291 ( 1.314 0.000 0.000) 1.314 8.314 ( 3.494 0.000 0.000) 3.494 8.323 ( -2.241 0.000 0.000) 2.241 8.418 ( -8.032 0.000 0.000) 8.032 8.573 ( 15.083 0.000 0.000) 15.083 8.596 ( 2.779 0.000 0.000) 2.779 8.682 ( -4.817 0.000 0.000) 4.817 8.778 ( 4.670 0.000 0.000) 4.670 8.783 ( 2.339 0.000 0.000) 2.339 8.951 ( 15.666 0.000 0.000) 15.666 9.011 ( 1.837 0.000 0.000) 1.837 9.090 ( -4.665 0.000 0.000) 4.665 9.137 ( -2.729 0.000 0.000) 2.729 9.168 ( 1.348 0.000 0.000) 1.348 9.237 ( 4.829 0.000 0.000) 4.829 9.303 ( -3.506 0.000 0.000) 3.506 9.326 ( 2.114 0.000 0.000) 2.114 9.453 ( -5.800 0.000 0.000) 5.800 9.505 ( -0.051 0.000 0.000) 0.051 9.520 ( 11.410 0.000 0.000) 11.410 9.561 ( -8.103 0.000 0.000) 8.103 9.561 ( -0.191 0.000 0.000) 0.191 9.667 ( -3.573 0.000 0.000) 3.573 9.694 ( -12.095 0.000 0.000) 12.095 9.733 ( 3.964 0.000 0.000) 3.964 9.922 ( -0.664 0.000 0.000) 0.664 9.934 ( 18.338 0.000 0.000) 18.338 9.941 ( -0.246 0.000 0.000) 0.246 9.968 ( -12.238 0.000 0.000) 12.238 10.011 ( -4.178 0.000 0.000) 4.178 10.277 ( 7.380 0.000 0.000) 7.380 10.293 ( 11.042 0.000 0.000) 11.042 10.302 ( 4.640 0.000 0.000) 4.640 10.525 ( 4.781 0.000 0.000) 4.781 10.637 ( 3.214 0.000 0.000) 3.214 10.661 ( 14.574 0.000 0.000) 14.574 10.721 ( 4.313 0.000 0.000) 4.313 10.732 ( 8.702 0.000 0.000) 8.702 10.846 ( 4.132 0.000 0.000) 4.132 10.872 ( 10.077 0.000 0.000) 10.077 10.879 ( 4.635 0.000 0.000) 4.635 10.921 ( 2.767 0.000 0.000) 2.767 10.932 ( 10.153 0.000 0.000) 10.153 11.024 ( 2.664 0.000 0.000) 2.664 11.039 ( -0.358 0.000 0.000) 0.358 11.131 ( 4.620 0.000 0.000) 4.620 11.206 ( 2.131 0.000 0.000) 2.131 11.269 ( -7.638 0.000 0.000) 7.638 11.402 ( 3.859 0.000 0.000) 3.859 11.473 ( 7.260 0.000 0.000) 7.260 11.495 ( -4.167 0.000 0.000) 4.167 11.498 ( -8.956 0.000 0.000) 8.956 11.501 ( -0.633 0.000 0.000) 0.633 11.566 ( -2.060 0.000 0.000) 2.060 11.637 ( -1.977 0.000 0.000) 1.977 11.640 ( -20.014 0.000 0.000) 20.014 11.724 ( -3.100 0.000 0.000) 3.100 11.755 ( -13.924 0.000 0.000) 13.924 11.814 ( -20.837 0.000 0.000) 20.837 11.837 ( -6.368 0.000 0.000) 6.368 11.958 ( -12.727 0.000 0.000) 12.727 12.048 ( 2.431 0.000 0.000) 2.431 12.051 ( -6.331 0.000 0.000) 6.331 12.111 ( -13.972 0.000 0.000) 13.972 12.155 ( 3.804 0.000 0.000) 3.804 12.235 ( -9.886 0.000 0.000) 9.886 12.318 ( 1.374 0.000 0.000) 1.374 12.491 ( -12.568 0.000 0.000) 12.568 12.543 ( 1.535 0.000 0.000) 1.535 12.608 ( -1.581 0.000 0.000) 1.581 12.623 ( -12.543 0.000 0.000) 12.543 12.645 ( -6.192 0.000 0.000) 6.192 12.814 ( 5.421 0.000 0.000) 5.421 12.838 ( -4.710 0.000 0.000) 4.710 13.031 ( 4.112 0.000 0.000) 4.112 13.118 ( -3.349 0.000 0.000) 3.349 13.166 ( 12.529 0.000 0.000) 12.529 13.186 ( -5.401 0.000 0.000) 5.401 13.203 ( -0.601 0.000 0.000) 0.601 13.303 ( -2.346 0.000 0.000) 2.346 13.541 ( 3.748 0.000 0.000) 3.748 13.633 ( -0.558 0.000 0.000) 0.558 13.652 ( 3.756 0.000 0.000) 3.756 13.683 ( 0.320 0.000 0.000) 0.320 13.796 ( -3.180 0.000 0.000) 3.180 13.888 ( -1.782 0.000 0.000) 1.782 13.931 ( 3.726 0.000 0.000) 3.726 14.099 ( 5.174 0.000 0.000) 5.174 14.265 ( 6.598 0.000 0.000) 6.598 14.308 ( 11.334 0.000 0.000) 11.334 14.370 ( 7.196 0.000 0.000) 7.196 14.423 ( 5.835 0.000 0.000) 5.835 14.587 ( 8.290 0.000 0.000) 8.290 15.261 ( -3.656 0.000 0.000) 3.656 15.273 ( -0.801 0.000 0.000) 0.801 15.377 ( -5.187 0.000 0.000) 5.187 15.534 ( -5.352 0.000 0.000) 5.352 15.569 ( -3.463 0.000 0.000) 3.463 15.571 ( -5.114 0.000 0.000) 5.114 15.694 ( -4.803 0.000 0.000) 4.803 15.712 ( -9.782 0.000 0.000) 9.782 15.765 ( -4.706 0.000 0.000) 4.706 16.428 ( -0.683 0.000 0.000) 0.683 16.429 ( -0.802 0.000 0.000) 0.802 16.603 ( 2.289 0.000 0.000) 2.289 16.624 ( -5.954 0.000 0.000) 5.954 16.674 ( -5.919 0.000 0.000) 5.919 17.043 ( -7.463 0.000 0.000) 7.463 17.065 ( -7.711 0.000 0.000) 7.711 17.090 ( -8.782 0.000 0.000) 8.782 20.015 ( 7.902 0.000 0.000) 7.902 20.036 ( 7.848 0.000 0.000) 7.848 20.218 ( 12.498 0.000 0.000) 12.498 20.596 ( -1.318 0.000 0.000) 1.318 20.599 ( -0.872 0.000 0.000) 0.872 20.695 ( 0.953 0.000 0.000) 0.953 20.905 ( -2.604 0.000 0.000) 2.604 20.912 ( -2.320 0.000 0.000) 2.320 21.790 ( 0.592 0.000 0.000) 0.592 22.006 ( -3.093 0.000 0.000) 3.093 22.030 ( -2.879 0.000 0.000) 2.879 22.159 ( 2.973 0.000 0.000) 2.973 22.281 ( -3.358 0.000 0.000) 3.358 22.330 ( -7.337 0.000 0.000) 7.337 22.444 ( 1.628 0.000 0.000) 1.628 22.452 ( -6.131 0.000 0.000) 6.131 22.553 ( 7.418 0.000 0.000) 7.418 22.568 ( 7.607 0.000 0.000) 7.607 22.628 ( 10.226 0.000 0.000) 10.226 22.750 ( 2.305 0.000 0.000) 2.305 22.787 ( 3.917 0.000 0.000) 3.917 22.817 ( 1.578 0.000 0.000) 1.578 23.080 ( -8.506 0.000 0.000) 8.506 23.379 ( -6.529 0.000 0.000) 6.529 23.540 ( -5.670 0.000 0.000) 5.670 23.732 ( -2.349 0.000 0.000) 2.349 23.735 ( -13.722 0.000 0.000) 13.722 23.839 ( -2.376 0.000 0.000) 2.376 23.852 ( -5.209 0.000 0.000) 5.209 24.065 ( -11.042 0.000 0.000) 11.042 24.102 ( -0.770 0.000 0.000) 0.770 24.113 ( -3.622 0.000 0.000) 3.622 24.610 ( -1.759 0.000 0.000) 1.759 24.637 ( -2.242 0.000 0.000) 2.242 24.662 ( -1.269 0.000 0.000) 1.269 24.733 ( -2.167 0.000 0.000) 2.167 24.800 ( 2.010 0.000 0.000) 2.010 24.844 ( 1.623 0.000 0.000) 1.623 25.049 ( -0.350 0.000 0.000) 0.350 25.079 ( -0.022 0.000 0.000) 0.022 25.130 ( -0.934 0.000 0.000) 0.934 25.449 ( -5.435 0.000 0.000) 5.435 25.465 ( -5.592 0.000 0.000) 5.592 25.512 ( -6.663 0.000 0.000) 6.663 25.534 ( -5.473 0.000 0.000) 5.473 25.775 ( -15.310 0.000 0.000) 15.310 25.919 ( -13.642 0.000 0.000) 13.642 26.259 ( -12.734 0.000 0.000) 12.734 ======================= Grid point 3 (4/40) ======================= q-point: ( 0.33 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( 29.559 0.000 0.000) 29.559 2.075 ( 33.389 0.000 0.000) 33.389 2.224 ( 17.671 0.000 0.000) 17.671 2.505 ( 14.669 0.000 0.000) 14.669 2.579 ( 15.816 0.000 0.000) 15.816 2.604 ( 15.546 0.000 0.000) 15.546 3.196 ( 9.525 0.000 0.000) 9.525 3.303 ( 5.929 0.000 0.000) 5.929 3.409 ( 38.204 0.000 0.000) 38.204 3.528 ( -7.452 0.000 0.000) 7.452 3.574 ( 13.720 0.000 0.000) 13.720 3.576 ( 6.387 0.000 0.000) 6.387 3.696 ( 1.725 0.000 0.000) 1.725 3.871 ( 12.471 0.000 0.000) 12.471 3.946 ( -9.613 0.000 0.000) 9.613 3.997 ( -8.102 0.000 0.000) 8.102 4.092 ( -0.482 0.000 0.000) 0.482 4.100 ( -9.137 0.000 0.000) 9.137 4.121 ( 7.149 0.000 0.000) 7.149 4.121 ( -8.919 0.000 0.000) 8.919 4.241 ( 7.264 0.000 0.000) 7.264 4.322 ( 11.938 0.000 0.000) 11.938 4.391 ( -14.300 0.000 0.000) 14.300 4.419 ( -2.837 0.000 0.000) 2.837 4.598 ( 1.886 0.000 0.000) 1.886 4.638 ( -3.390 0.000 0.000) 3.390 4.667 ( -7.702 0.000 0.000) 7.702 4.714 ( 1.646 0.000 0.000) 1.646 4.727 ( 8.357 0.000 0.000) 8.357 4.770 ( 9.313 0.000 0.000) 9.313 4.873 ( -5.090 0.000 0.000) 5.090 4.941 ( 21.480 0.000 0.000) 21.480 5.017 ( 4.335 0.000 0.000) 4.335 5.056 ( -12.144 0.000 0.000) 12.144 5.060 ( -5.994 0.000 0.000) 5.994 5.081 ( 9.524 0.000 0.000) 9.524 5.184 ( 29.007 0.000 0.000) 29.007 5.223 ( 6.779 0.000 0.000) 6.779 5.312 ( -5.952 0.000 0.000) 5.952 5.409 ( -10.051 0.000 0.000) 10.051 5.475 ( 15.962 0.000 0.000) 15.962 5.561 ( 10.477 0.000 0.000) 10.477 5.632 ( -3.268 0.000 0.000) 3.268 5.782 ( -4.655 0.000 0.000) 4.655 5.823 ( 4.770 0.000 0.000) 4.770 5.841 ( 4.039 0.000 0.000) 4.039 5.849 ( -8.499 0.000 0.000) 8.499 5.875 ( 10.737 0.000 0.000) 10.737 6.021 ( -8.040 0.000 0.000) 8.040 6.277 ( -1.568 0.000 0.000) 1.568 6.289 ( -0.253 0.000 0.000) 0.253 6.321 ( -4.051 0.000 0.000) 4.051 6.338 ( -14.764 0.000 0.000) 14.764 6.380 ( -9.911 0.000 0.000) 9.911 6.392 ( -10.426 0.000 0.000) 10.426 6.593 ( 3.206 0.000 0.000) 3.206 6.631 ( 5.366 0.000 0.000) 5.366 6.714 ( -2.121 0.000 0.000) 2.121 6.760 ( 0.813 0.000 0.000) 0.813 6.850 ( -10.811 0.000 0.000) 10.811 6.895 ( -1.145 0.000 0.000) 1.145 7.038 ( 11.466 0.000 0.000) 11.466 7.067 ( 7.340 0.000 0.000) 7.340 7.135 ( -10.536 0.000 0.000) 10.536 7.315 ( -12.331 0.000 0.000) 12.331 7.346 ( 6.783 0.000 0.000) 6.783 7.402 ( 3.304 0.000 0.000) 3.304 7.412 ( 8.501 0.000 0.000) 8.501 7.498 ( -13.079 0.000 0.000) 13.079 7.570 ( -0.861 0.000 0.000) 0.861 7.570 ( 6.314 0.000 0.000) 6.314 7.575 ( 4.542 0.000 0.000) 4.542 7.628 ( 13.976 0.000 0.000) 13.976 7.652 ( 3.261 0.000 0.000) 3.261 7.797 ( 11.977 0.000 0.000) 11.977 7.805 ( 0.126 0.000 0.000) 0.126 7.812 ( -11.253 0.000 0.000) 11.253 7.847 ( -9.535 0.000 0.000) 9.535 7.998 ( -1.791 0.000 0.000) 1.791 8.048 ( -0.891 0.000 0.000) 0.891 8.051 ( 4.827 0.000 0.000) 4.827 8.242 ( -4.129 0.000 0.000) 4.129 8.285 ( -4.051 0.000 0.000) 4.051 8.307 ( -0.563 0.000 0.000) 0.563 8.417 ( 5.262 0.000 0.000) 5.262 8.560 ( 21.449 0.000 0.000) 21.449 8.578 ( -4.044 0.000 0.000) 4.044 8.633 ( 7.563 0.000 0.000) 7.563 8.855 ( 8.994 0.000 0.000) 8.994 8.899 ( 6.422 0.000 0.000) 6.422 8.901 ( 10.277 0.000 0.000) 10.277 8.978 ( -4.803 0.000 0.000) 4.803 9.107 ( 7.941 0.000 0.000) 7.941 9.112 ( -0.249 0.000 0.000) 0.249 9.180 ( -1.364 0.000 0.000) 1.364 9.197 ( 1.831 0.000 0.000) 1.831 9.234 ( -11.010 0.000 0.000) 11.010 9.272 ( 3.518 0.000 0.000) 3.518 9.328 ( 4.444 0.000 0.000) 4.444 9.351 ( -8.984 0.000 0.000) 8.984 9.402 ( 5.366 0.000 0.000) 5.366 9.514 ( -2.505 0.000 0.000) 2.505 9.575 ( 2.390 0.000 0.000) 2.390 9.611 ( 9.059 0.000 0.000) 9.059 9.634 ( 1.034 0.000 0.000) 1.034 9.702 ( -8.681 0.000 0.000) 8.681 9.756 ( 8.246 0.000 0.000) 8.246 9.869 ( -1.721 0.000 0.000) 1.721 9.870 ( 5.568 0.000 0.000) 5.568 9.883 ( -4.954 0.000 0.000) 4.954 9.902 ( -5.988 0.000 0.000) 5.988 10.242 ( 4.563 0.000 0.000) 4.563 10.340 ( 7.449 0.000 0.000) 7.449 10.488 ( -10.505 0.000 0.000) 10.505 10.552 ( 12.907 0.000 0.000) 12.907 10.596 ( 15.560 0.000 0.000) 15.560 10.639 ( -11.395 0.000 0.000) 11.395 10.755 ( 6.128 0.000 0.000) 6.128 10.884 ( 0.450 0.000 0.000) 0.450 10.887 ( 5.222 0.000 0.000) 5.222 10.909 ( -5.379 0.000 0.000) 5.379 10.942 ( 2.461 0.000 0.000) 2.461 10.955 ( -16.030 0.000 0.000) 16.030 10.998 ( -1.452 0.000 0.000) 1.452 11.036 ( 5.056 0.000 0.000) 5.056 11.069 ( 0.633 0.000 0.000) 0.633 11.095 ( 11.533 0.000 0.000) 11.533 11.164 ( -2.301 0.000 0.000) 2.301 11.195 ( 0.109 0.000 0.000) 0.109 11.238 ( 6.081 0.000 0.000) 6.081 11.244 ( -0.733 0.000 0.000) 0.733 11.349 ( -14.301 0.000 0.000) 14.301 11.392 ( -7.856 0.000 0.000) 7.856 11.409 ( -3.313 0.000 0.000) 3.313 11.469 ( -2.483 0.000 0.000) 2.483 11.477 ( -2.156 0.000 0.000) 2.156 11.479 ( -2.405 0.000 0.000) 2.405 11.565 ( -3.842 0.000 0.000) 3.842 11.574 ( 2.156 0.000 0.000) 2.156 11.647 ( -9.096 0.000 0.000) 9.096 11.669 ( -2.901 0.000 0.000) 2.901 11.706 ( -2.230 0.000 0.000) 2.230 11.732 ( -2.764 0.000 0.000) 2.764 11.795 ( -11.221 0.000 0.000) 11.221 11.980 ( 0.259 0.000 0.000) 0.259 12.069 ( -4.454 0.000 0.000) 4.454 12.074 ( -0.239 0.000 0.000) 0.239 12.200 ( 0.590 0.000 0.000) 0.590 12.260 ( -8.634 0.000 0.000) 8.634 12.338 ( -0.726 0.000 0.000) 0.726 12.410 ( -8.827 0.000 0.000) 8.827 12.456 ( -10.089 0.000 0.000) 10.089 12.495 ( -4.068 0.000 0.000) 4.068 12.545 ( -4.485 0.000 0.000) 4.485 12.750 ( -3.469 0.000 0.000) 3.469 12.928 ( 4.791 0.000 0.000) 4.791 13.052 ( -7.391 0.000 0.000) 7.391 13.053 ( -2.699 0.000 0.000) 2.699 13.117 ( 1.323 0.000 0.000) 1.323 13.176 ( -1.835 0.000 0.000) 1.835 13.249 ( 0.203 0.000 0.000) 0.203 13.424 ( 11.435 0.000 0.000) 11.435 13.575 ( -4.569 0.000 0.000) 4.569 13.642 ( 5.090 0.000 0.000) 5.090 13.644 ( -1.921 0.000 0.000) 1.921 13.716 ( 2.169 0.000 0.000) 2.169 13.728 ( -3.142 0.000 0.000) 3.142 13.846 ( -2.493 0.000 0.000) 2.493 14.057 ( 6.497 0.000 0.000) 6.497 14.193 ( 3.298 0.000 0.000) 3.298 14.416 ( 7.063 0.000 0.000) 7.063 14.495 ( 4.565 0.000 0.000) 4.565 14.503 ( 7.425 0.000 0.000) 7.425 14.538 ( 5.066 0.000 0.000) 5.066 14.764 ( 8.807 0.000 0.000) 8.807 15.198 ( -2.600 0.000 0.000) 2.600 15.274 ( -4.264 0.000 0.000) 4.264 15.291 ( 2.528 0.000 0.000) 2.528 15.413 ( -5.961 0.000 0.000) 5.961 15.460 ( -5.214 0.000 0.000) 5.214 15.500 ( -2.800 0.000 0.000) 2.800 15.519 ( -8.318 0.000 0.000) 8.318 15.583 ( -5.617 0.000 0.000) 5.617 15.653 ( -5.882 0.000 0.000) 5.882 16.394 ( -2.161 0.000 0.000) 2.161 16.414 ( -0.537 0.000 0.000) 0.537 16.496 ( -6.030 0.000 0.000) 6.030 16.548 ( -5.760 0.000 0.000) 5.760 16.624 ( 0.290 0.000 0.000) 0.290 16.881 ( -7.483 0.000 0.000) 7.483 16.893 ( -8.403 0.000 0.000) 8.403 16.897 ( -8.971 0.000 0.000) 8.971 20.190 ( 8.622 0.000 0.000) 8.622 20.213 ( 8.874 0.000 0.000) 8.874 20.447 ( 9.331 0.000 0.000) 9.331 20.556 ( -2.639 0.000 0.000) 2.639 20.572 ( -1.860 0.000 0.000) 1.860 20.707 ( 0.271 0.000 0.000) 0.271 20.835 ( -4.135 0.000 0.000) 4.135 20.848 ( -3.741 0.000 0.000) 3.741 21.803 ( 0.793 0.000 0.000) 0.793 21.945 ( -2.884 0.000 0.000) 2.884 21.988 ( -1.038 0.000 0.000) 1.038 22.149 ( -3.730 0.000 0.000) 3.730 22.199 ( -4.603 0.000 0.000) 4.603 22.219 ( -2.201 0.000 0.000) 2.201 22.344 ( -4.351 0.000 0.000) 4.351 22.383 ( -6.487 0.000 0.000) 6.487 22.700 ( 6.246 0.000 0.000) 6.246 22.719 ( 6.619 0.000 0.000) 6.619 22.821 ( 4.599 0.000 0.000) 4.599 22.841 ( 8.578 0.000 0.000) 8.578 22.891 ( 6.294 0.000 0.000) 6.294 22.933 ( 8.516 0.000 0.000) 8.516 22.934 ( -4.958 0.000 0.000) 4.958 23.215 ( -8.096 0.000 0.000) 8.096 23.474 ( -0.752 0.000 0.000) 0.752 23.513 ( -5.820 0.000 0.000) 5.820 23.667 ( -3.903 0.000 0.000) 3.903 23.768 ( -3.200 0.000 0.000) 3.200 23.784 ( -2.774 0.000 0.000) 2.774 23.855 ( -8.557 0.000 0.000) 8.557 23.989 ( -8.471 0.000 0.000) 8.471 24.044 ( -5.404 0.000 0.000) 5.404 24.564 ( -1.868 0.000 0.000) 1.868 24.594 ( -1.611 0.000 0.000) 1.611 24.628 ( -1.968 0.000 0.000) 1.968 24.675 ( -3.129 0.000 0.000) 3.129 24.863 ( 3.680 0.000 0.000) 3.680 24.899 ( 3.661 0.000 0.000) 3.661 25.027 ( -1.543 0.000 0.000) 1.543 25.090 ( 0.888 0.000 0.000) 0.888 25.111 ( -0.484 0.000 0.000) 0.484 25.334 ( -5.246 0.000 0.000) 5.246 25.342 ( -5.972 0.000 0.000) 5.972 25.398 ( -3.625 0.000 0.000) 3.625 25.459 ( -0.912 0.000 0.000) 0.912 25.481 ( -12.524 0.000 0.000) 12.524 25.663 ( -10.861 0.000 0.000) 10.861 25.974 ( -14.026 0.000 0.000) 14.026 ======================= Grid point 4 (5/40) ======================= q-point: ( 0.44 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( 29.133 0.000 0.000) 29.133 2.560 ( 13.766 0.000 0.000) 13.766 2.670 ( 13.123 0.000 0.000) 13.123 2.746 ( -8.084 0.000 0.000) 8.084 2.802 ( 14.002 0.000 0.000) 14.002 2.872 ( 18.072 0.000 0.000) 18.072 3.086 ( -17.448 0.000 0.000) 17.448 3.388 ( -21.816 0.000 0.000) 21.816 3.428 ( 12.708 0.000 0.000) 12.708 3.501 ( 6.554 0.000 0.000) 6.554 3.692 ( -10.501 0.000 0.000) 10.501 3.698 ( -6.586 0.000 0.000) 6.586 3.785 ( 10.080 0.000 0.000) 10.080 3.851 ( -1.979 0.000 0.000) 1.979 3.884 ( -4.420 0.000 0.000) 4.420 3.911 ( 1.122 0.000 0.000) 1.122 4.016 ( -6.633 0.000 0.000) 6.633 4.028 ( -6.131 0.000 0.000) 6.131 4.079 ( 13.307 0.000 0.000) 13.307 4.165 ( -0.623 0.000 0.000) 0.623 4.247 ( 4.336 0.000 0.000) 4.336 4.391 ( -8.350 0.000 0.000) 8.350 4.396 ( -6.096 0.000 0.000) 6.096 4.411 ( -2.032 0.000 0.000) 2.032 4.427 ( 5.705 0.000 0.000) 5.705 4.563 ( -6.130 0.000 0.000) 6.130 4.757 ( 19.714 0.000 0.000) 19.714 4.838 ( 1.155 0.000 0.000) 1.155 4.850 ( 6.783 0.000 0.000) 6.783 4.877 ( -1.479 0.000 0.000) 1.479 4.892 ( 4.032 0.000 0.000) 4.032 4.943 ( 1.307 0.000 0.000) 1.307 5.026 ( 4.169 0.000 0.000) 4.169 5.055 ( -1.940 0.000 0.000) 1.940 5.144 ( -11.548 0.000 0.000) 11.548 5.174 ( -9.273 0.000 0.000) 9.273 5.263 ( 8.799 0.000 0.000) 8.799 5.319 ( 12.618 0.000 0.000) 12.618 5.419 ( 10.297 0.000 0.000) 10.297 5.510 ( -14.770 0.000 0.000) 14.770 5.534 ( -7.249 0.000 0.000) 7.249 5.671 ( -12.692 0.000 0.000) 12.692 5.798 ( 13.660 0.000 0.000) 13.660 5.817 ( 21.066 0.000 0.000) 21.066 5.827 ( 20.116 0.000 0.000) 20.116 5.870 ( -0.806 0.000 0.000) 0.806 5.958 ( 7.575 0.000 0.000) 7.575 6.067 ( 14.353 0.000 0.000) 14.353 6.116 ( -10.457 0.000 0.000) 10.457 6.150 ( -8.901 0.000 0.000) 8.901 6.219 ( -2.820 0.000 0.000) 2.820 6.241 ( 14.105 0.000 0.000) 14.105 6.262 ( -9.668 0.000 0.000) 9.668 6.274 ( 6.237 0.000 0.000) 6.237 6.449 ( 16.206 0.000 0.000) 16.206 6.493 ( -16.847 0.000 0.000) 16.847 6.607 ( -12.710 0.000 0.000) 12.710 6.696 ( 0.342 0.000 0.000) 0.342 6.708 ( 1.930 0.000 0.000) 1.930 6.833 ( -16.897 0.000 0.000) 16.897 6.834 ( 0.165 0.000 0.000) 0.165 6.838 ( 6.429 0.000 0.000) 6.429 7.015 ( -12.013 0.000 0.000) 12.013 7.054 ( -20.466 0.000 0.000) 20.466 7.220 ( 8.244 0.000 0.000) 8.244 7.239 ( 8.322 0.000 0.000) 8.322 7.393 ( -6.366 0.000 0.000) 6.366 7.428 ( -9.402 0.000 0.000) 9.402 7.544 ( 6.514 0.000 0.000) 6.514 7.607 ( 1.989 0.000 0.000) 1.989 7.624 ( 0.162 0.000 0.000) 0.162 7.630 ( -1.552 0.000 0.000) 1.552 7.696 ( -0.441 0.000 0.000) 0.441 7.715 ( -0.914 0.000 0.000) 0.914 7.731 ( 10.287 0.000 0.000) 10.287 7.813 ( 1.433 0.000 0.000) 1.433 7.883 ( -0.224 0.000 0.000) 0.224 7.930 ( -4.815 0.000 0.000) 4.815 7.944 ( 7.255 0.000 0.000) 7.255 8.027 ( -1.609 0.000 0.000) 1.609 8.139 ( 3.968 0.000 0.000) 3.968 8.207 ( 1.070 0.000 0.000) 1.070 8.214 ( -3.352 0.000 0.000) 3.352 8.260 ( -3.220 0.000 0.000) 3.220 8.496 ( 2.774 0.000 0.000) 2.774 8.537 ( -1.041 0.000 0.000) 1.041 8.769 ( 10.294 0.000 0.000) 10.294 8.908 ( -2.679 0.000 0.000) 2.679 8.928 ( 0.385 0.000 0.000) 0.385 8.988 ( -4.248 0.000 0.000) 4.248 8.991 ( 6.995 0.000 0.000) 6.995 9.071 ( -3.266 0.000 0.000) 3.266 9.099 ( -2.399 0.000 0.000) 2.399 9.119 ( -7.144 0.000 0.000) 7.144 9.127 ( 13.851 0.000 0.000) 13.851 9.235 ( 0.522 0.000 0.000) 0.522 9.281 ( 9.683 0.000 0.000) 9.683 9.340 ( 14.032 0.000 0.000) 14.032 9.420 ( -5.530 0.000 0.000) 5.530 9.463 ( -1.054 0.000 0.000) 1.054 9.504 ( 19.828 0.000 0.000) 19.828 9.517 ( 8.318 0.000 0.000) 8.318 9.575 ( 5.499 0.000 0.000) 5.499 9.654 ( 4.857 0.000 0.000) 4.857 9.731 ( -7.728 0.000 0.000) 7.728 9.769 ( -5.975 0.000 0.000) 5.975 9.779 ( 15.281 0.000 0.000) 15.281 9.796 ( -6.029 0.000 0.000) 6.029 9.954 ( 5.160 0.000 0.000) 5.160 9.998 ( 6.304 0.000 0.000) 6.304 10.018 ( 24.686 0.000 0.000) 24.686 10.024 ( -23.444 0.000 0.000) 23.444 10.146 ( -19.118 0.000 0.000) 19.118 10.218 ( -13.593 0.000 0.000) 13.593 10.414 ( -6.319 0.000 0.000) 6.319 10.425 ( -32.344 0.000 0.000) 32.344 10.768 ( 3.770 0.000 0.000) 3.770 10.770 ( -3.418 0.000 0.000) 3.418 10.841 ( -0.804 0.000 0.000) 0.804 10.848 ( 0.016 0.000 0.000) 0.016 10.862 ( -0.219 0.000 0.000) 0.219 10.882 ( 6.055 0.000 0.000) 6.055 11.014 ( 6.281 0.000 0.000) 6.281 11.054 ( 4.553 0.000 0.000) 4.553 11.086 ( 0.756 0.000 0.000) 0.756 11.099 ( -3.471 0.000 0.000) 3.471 11.156 ( 0.996 0.000 0.000) 0.996 11.177 ( -6.791 0.000 0.000) 6.791 11.196 ( 1.938 0.000 0.000) 1.938 11.254 ( 6.423 0.000 0.000) 6.423 11.266 ( 1.906 0.000 0.000) 1.906 11.293 ( 6.197 0.000 0.000) 6.197 11.318 ( -7.328 0.000 0.000) 7.328 11.371 ( -1.608 0.000 0.000) 1.608 11.404 ( -4.582 0.000 0.000) 4.582 11.406 ( -3.304 0.000 0.000) 3.304 11.460 ( -0.962 0.000 0.000) 0.962 11.521 ( -2.559 0.000 0.000) 2.559 11.525 ( 5.252 0.000 0.000) 5.252 11.601 ( -0.884 0.000 0.000) 0.884 11.605 ( -1.542 0.000 0.000) 1.542 11.631 ( -4.264 0.000 0.000) 4.264 11.771 ( 4.730 0.000 0.000) 4.730 11.790 ( 2.994 0.000 0.000) 2.994 12.039 ( 2.859 0.000 0.000) 2.859 12.052 ( -0.806 0.000 0.000) 0.806 12.090 ( 5.249 0.000 0.000) 5.249 12.141 ( -1.919 0.000 0.000) 1.919 12.181 ( -2.550 0.000 0.000) 2.550 12.210 ( -8.045 0.000 0.000) 8.045 12.254 ( -4.735 0.000 0.000) 4.735 12.302 ( -6.387 0.000 0.000) 6.387 12.433 ( -1.081 0.000 0.000) 1.081 12.460 ( -3.272 0.000 0.000) 3.272 12.750 ( 4.223 0.000 0.000) 4.223 12.889 ( -7.997 0.000 0.000) 7.997 12.993 ( 1.274 0.000 0.000) 1.274 13.011 ( -1.273 0.000 0.000) 1.273 13.096 ( 0.120 0.000 0.000) 0.120 13.132 ( -2.333 0.000 0.000) 2.333 13.338 ( 5.885 0.000 0.000) 5.885 13.462 ( -5.963 0.000 0.000) 5.963 13.624 ( 7.697 0.000 0.000) 7.697 13.633 ( 0.786 0.000 0.000) 0.786 13.669 ( -2.449 0.000 0.000) 2.449 13.729 ( -1.685 0.000 0.000) 1.685 13.729 ( 3.107 0.000 0.000) 3.107 13.784 ( -3.044 0.000 0.000) 3.044 14.171 ( 4.253 0.000 0.000) 4.253 14.223 ( -0.556 0.000 0.000) 0.556 14.529 ( 3.404 0.000 0.000) 3.404 14.553 ( 0.959 0.000 0.000) 0.959 14.612 ( 2.887 0.000 0.000) 2.887 14.618 ( 2.162 0.000 0.000) 2.162 14.950 ( 8.833 0.000 0.000) 8.833 15.112 ( -6.299 0.000 0.000) 6.299 15.238 ( 1.160 0.000 0.000) 1.160 15.301 ( -4.516 0.000 0.000) 4.516 15.370 ( 4.722 0.000 0.000) 4.722 15.375 ( -2.344 0.000 0.000) 2.344 15.388 ( -3.793 0.000 0.000) 3.793 15.472 ( -5.054 0.000 0.000) 5.054 15.473 ( 0.649 0.000 0.000) 0.649 15.535 ( -5.025 0.000 0.000) 5.025 16.362 ( -0.394 0.000 0.000) 0.394 16.393 ( -3.451 0.000 0.000) 3.451 16.413 ( 0.656 0.000 0.000) 0.656 16.452 ( -3.307 0.000 0.000) 3.307 16.646 ( 2.465 0.000 0.000) 2.465 16.737 ( -6.252 0.000 0.000) 6.252 16.759 ( -3.560 0.000 0.000) 3.560 16.760 ( -3.504 0.000 0.000) 3.504 20.358 ( 7.214 0.000 0.000) 7.214 20.388 ( 7.583 0.000 0.000) 7.583 20.481 ( -4.707 0.000 0.000) 4.707 20.512 ( -4.226 0.000 0.000) 4.226 20.610 ( 6.699 0.000 0.000) 6.699 20.718 ( 1.216 0.000 0.000) 1.216 20.735 ( -5.462 0.000 0.000) 5.462 20.768 ( -3.528 0.000 0.000) 3.528 21.830 ( 1.891 0.000 0.000) 1.891 21.883 ( -3.039 0.000 0.000) 3.039 21.992 ( 1.607 0.000 0.000) 1.607 22.055 ( -4.278 0.000 0.000) 4.278 22.161 ( 1.184 0.000 0.000) 1.184 22.205 ( 1.013 0.000 0.000) 1.013 22.241 ( -6.061 0.000 0.000) 6.061 22.258 ( -3.791 0.000 0.000) 3.791 22.803 ( 3.807 0.000 0.000) 3.807 22.840 ( 5.122 0.000 0.000) 5.122 22.865 ( -2.510 0.000 0.000) 2.510 22.917 ( -1.252 0.000 0.000) 1.252 22.935 ( 6.093 0.000 0.000) 6.093 23.030 ( 6.047 0.000 0.000) 6.047 23.065 ( -6.512 0.000 0.000) 6.512 23.078 ( 2.939 0.000 0.000) 2.939 23.497 ( 2.781 0.000 0.000) 2.781 23.543 ( 8.210 0.000 0.000) 8.210 23.577 ( -4.488 0.000 0.000) 4.488 23.723 ( -0.903 0.000 0.000) 0.903 23.733 ( -1.764 0.000 0.000) 1.764 23.760 ( 0.871 0.000 0.000) 0.871 23.771 ( -11.937 0.000 0.000) 11.937 23.884 ( -8.925 0.000 0.000) 8.925 24.553 ( 0.763 0.000 0.000) 0.763 24.581 ( 0.507 0.000 0.000) 0.507 24.585 ( -2.026 0.000 0.000) 2.026 24.614 ( -2.498 0.000 0.000) 2.498 24.935 ( 3.066 0.000 0.000) 3.066 24.989 ( -2.170 0.000 0.000) 2.170 24.994 ( 5.236 0.000 0.000) 5.236 25.080 ( -2.114 0.000 0.000) 2.114 25.142 ( 3.098 0.000 0.000) 3.098 25.227 ( -4.929 0.000 0.000) 4.929 25.250 ( -2.355 0.000 0.000) 2.355 25.279 ( -6.125 0.000 0.000) 6.125 25.379 ( 1.954 0.000 0.000) 1.954 25.475 ( -7.055 0.000 0.000) 7.055 25.514 ( 6.199 0.000 0.000) 6.199 25.703 ( -11.584 0.000 0.000) 11.584 ======================= Grid point 9 (6/40) ======================= q-point: ( 0.00 0.33 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.637 ( 0.000 35.441 0.000) 35.441 0.691 ( 0.000 38.402 0.000) 38.402 1.216 ( 0.000 54.609 0.000) 54.609 1.242 ( 0.000 -18.990 0.000) 18.990 1.342 ( 0.000 -34.967 0.000) 34.967 2.227 ( 0.000 17.222 0.000) 17.222 2.354 ( 0.000 -53.429 0.000) 53.429 2.373 ( 0.000 22.548 0.000) 22.548 2.416 ( 0.000 -10.697 0.000) 10.697 2.722 ( 0.000 -17.172 0.000) 17.172 2.903 ( 0.000 -1.453 0.000) 1.453 2.955 ( 0.000 -6.521 0.000) 6.521 3.221 ( 0.000 7.328 0.000) 7.328 3.286 ( 0.000 2.583 0.000) 2.583 3.292 ( 0.000 11.180 0.000) 11.180 3.334 ( 0.000 -4.891 0.000) 4.891 3.341 ( 0.000 -4.501 0.000) 4.501 3.460 ( 0.000 -5.187 0.000) 5.187 3.646 ( 0.000 3.710 0.000) 3.710 3.662 ( 0.000 0.263 0.000) 0.263 4.087 ( 0.000 6.458 0.000) 6.458 4.289 ( 0.000 -12.740 0.000) 12.740 4.394 ( 0.000 9.226 0.000) 9.226 4.441 ( 0.000 19.569 0.000) 19.569 4.472 ( 0.000 6.764 0.000) 6.764 4.472 ( 0.000 -2.912 0.000) 2.912 4.576 ( 0.000 8.122 0.000) 8.122 4.604 ( 0.000 -6.724 0.000) 6.724 4.699 ( 0.000 -4.296 0.000) 4.296 4.765 ( 0.000 25.746 0.000) 25.746 4.815 ( 0.000 -21.765 0.000) 21.765 5.047 ( 0.000 -2.405 0.000) 2.405 5.114 ( 0.000 -2.179 0.000) 2.179 5.242 ( 0.000 1.055 0.000) 1.055 5.265 ( 0.000 -1.335 0.000) 1.335 5.293 ( 0.000 -19.110 0.000) 19.110 5.349 ( 0.000 0.181 0.000) 0.181 5.364 ( 0.000 -1.191 0.000) 1.191 5.495 ( 0.000 8.277 0.000) 8.277 5.642 ( 0.000 8.627 0.000) 8.627 5.654 ( 0.000 -6.444 0.000) 6.444 5.685 ( 0.000 1.550 0.000) 1.550 5.797 ( 0.000 1.419 0.000) 1.419 5.801 ( 0.000 0.596 0.000) 0.596 5.887 ( 0.000 -6.892 0.000) 6.892 5.939 ( 0.000 -10.109 0.000) 10.109 6.038 ( 0.000 14.610 0.000) 14.610 6.155 ( 0.000 12.669 0.000) 12.669 6.232 ( 0.000 4.883 0.000) 4.883 6.266 ( 0.000 -8.343 0.000) 8.343 6.269 ( 0.000 20.258 0.000) 20.258 6.402 ( 0.000 -2.970 0.000) 2.970 6.482 ( 0.000 -12.718 0.000) 12.718 6.559 ( 0.000 0.504 0.000) 0.504 6.576 ( 0.000 -8.133 0.000) 8.133 6.737 ( 0.000 -22.180 0.000) 22.180 6.782 ( 0.000 2.503 0.000) 2.503 6.819 ( 0.000 -1.341 0.000) 1.341 6.879 ( 0.000 6.325 0.000) 6.325 6.919 ( 0.000 8.971 0.000) 8.971 6.958 ( 0.000 -2.631 0.000) 2.631 6.992 ( 0.000 2.996 0.000) 2.996 7.034 ( 0.000 1.799 0.000) 1.799 7.110 ( 0.000 -7.631 0.000) 7.631 7.125 ( 0.000 -9.055 0.000) 9.055 7.175 ( 0.000 -10.741 0.000) 10.741 7.284 ( 0.000 2.649 0.000) 2.649 7.288 ( 0.000 1.327 0.000) 1.327 7.502 ( 0.000 6.656 0.000) 6.656 7.528 ( 0.000 4.729 0.000) 4.729 7.659 ( 0.000 2.737 0.000) 2.737 7.703 ( 0.000 4.691 0.000) 4.691 7.751 ( 0.000 -8.562 0.000) 8.562 7.782 ( 0.000 6.196 0.000) 6.196 7.808 ( 0.000 -6.191 0.000) 6.191 7.815 ( 0.000 1.765 0.000) 1.765 7.850 ( 0.000 -2.343 0.000) 2.343 7.872 ( 0.000 16.249 0.000) 16.249 7.904 ( 0.000 -7.591 0.000) 7.591 8.038 ( 0.000 17.397 0.000) 17.397 8.062 ( 0.000 -4.449 0.000) 4.449 8.265 ( 0.000 -3.647 0.000) 3.647 8.292 ( 0.000 3.358 0.000) 3.358 8.321 ( 0.000 3.759 0.000) 3.759 8.415 ( 0.000 -1.106 0.000) 1.106 8.423 ( 0.000 -2.779 0.000) 2.779 8.538 ( 0.000 3.434 0.000) 3.434 8.560 ( 0.000 0.564 0.000) 0.564 8.588 ( 0.000 2.086 0.000) 2.086 8.674 ( 0.000 -8.878 0.000) 8.878 8.694 ( 0.000 -3.020 0.000) 3.020 8.755 ( 0.000 -5.298 0.000) 5.298 9.074 ( 0.000 -2.132 0.000) 2.132 9.096 ( 0.000 -2.785 0.000) 2.785 9.178 ( 0.000 4.541 0.000) 4.541 9.190 ( 0.000 2.302 0.000) 2.302 9.267 ( 0.000 -7.280 0.000) 7.280 9.267 ( 0.000 6.139 0.000) 6.139 9.275 ( 0.000 -5.295 0.000) 5.295 9.343 ( 0.000 -2.654 0.000) 2.654 9.501 ( 0.000 5.864 0.000) 5.864 9.581 ( 0.000 3.811 0.000) 3.811 9.606 ( 0.000 -4.918 0.000) 4.918 9.635 ( 0.000 -2.126 0.000) 2.126 9.684 ( 0.000 4.726 0.000) 4.726 9.787 ( 0.000 5.935 0.000) 5.935 9.819 ( 0.000 -8.923 0.000) 8.923 9.819 ( 0.000 -0.337 0.000) 0.337 9.910 ( 0.000 9.641 0.000) 9.641 9.939 ( 0.000 1.744 0.000) 1.744 9.964 ( 0.000 -1.055 0.000) 1.055 10.071 ( 0.000 -3.727 0.000) 3.727 10.191 ( 0.000 0.474 0.000) 0.474 10.205 ( 0.000 -1.118 0.000) 1.118 10.388 ( 0.000 -4.949 0.000) 4.949 10.394 ( 0.000 -3.491 0.000) 3.491 10.404 ( 0.000 4.077 0.000) 4.077 10.454 ( 0.000 -1.585 0.000) 1.585 10.598 ( 0.000 3.838 0.000) 3.838 10.673 ( 0.000 0.327 0.000) 0.327 10.694 ( 0.000 2.048 0.000) 2.048 10.713 ( 0.000 0.802 0.000) 0.802 10.715 ( 0.000 -4.060 0.000) 4.060 10.731 ( 0.000 -1.529 0.000) 1.529 10.851 ( 0.000 3.669 0.000) 3.669 10.935 ( 0.000 -5.331 0.000) 5.331 11.138 ( 0.000 1.801 0.000) 1.801 11.140 ( 0.000 4.184 0.000) 4.184 11.186 ( 0.000 -2.687 0.000) 2.687 11.192 ( 0.000 -1.244 0.000) 1.244 11.395 ( 0.000 2.595 0.000) 2.595 11.419 ( 0.000 10.933 0.000) 10.933 11.436 ( 0.000 -1.640 0.000) 1.640 11.603 ( 0.000 3.035 0.000) 3.035 11.618 ( 0.000 -8.903 0.000) 8.903 11.680 ( 0.000 -5.633 0.000) 5.633 11.825 ( 0.000 4.423 0.000) 4.423 11.836 ( 0.000 1.961 0.000) 1.961 11.889 ( 0.000 -2.193 0.000) 2.193 11.895 ( 0.000 -3.069 0.000) 3.069 11.993 ( 0.000 3.095 0.000) 3.095 12.021 ( 0.000 3.771 0.000) 3.771 12.085 ( 0.000 -6.662 0.000) 6.662 12.131 ( 0.000 -5.386 0.000) 5.386 12.259 ( 0.000 2.404 0.000) 2.404 12.291 ( 0.000 -2.033 0.000) 2.033 12.377 ( 0.000 2.718 0.000) 2.718 12.410 ( 0.000 2.268 0.000) 2.268 12.416 ( 0.000 -2.188 0.000) 2.188 12.438 ( 0.000 -0.888 0.000) 0.888 12.449 ( 0.000 2.385 0.000) 2.385 12.499 ( 0.000 -2.190 0.000) 2.190 12.810 ( 0.000 9.190 0.000) 9.190 12.838 ( 0.000 3.705 0.000) 3.705 12.902 ( 0.000 -3.339 0.000) 3.339 12.938 ( 0.000 3.895 0.000) 3.895 12.970 ( 0.000 -7.047 0.000) 7.047 12.991 ( 0.000 -1.349 0.000) 1.349 13.124 ( 0.000 0.346 0.000) 0.346 13.151 ( 0.000 -2.952 0.000) 2.952 13.175 ( 0.000 2.725 0.000) 2.725 13.251 ( 0.000 -4.032 0.000) 4.032 13.546 ( 0.000 3.940 0.000) 3.940 13.566 ( 0.000 4.331 0.000) 4.331 13.593 ( 0.000 2.344 0.000) 2.344 13.650 ( 0.000 -7.383 0.000) 7.383 13.826 ( 0.000 -0.225 0.000) 0.225 13.873 ( 0.000 -4.862 0.000) 4.862 13.891 ( 0.000 5.098 0.000) 5.098 13.967 ( 0.000 -3.455 0.000) 3.455 14.048 ( 0.000 3.710 0.000) 3.710 14.107 ( 0.000 -3.077 0.000) 3.077 14.249 ( 0.000 4.140 0.000) 4.140 14.287 ( 0.000 3.432 0.000) 3.432 14.330 ( 0.000 -4.327 0.000) 4.327 14.338 ( 0.000 -2.151 0.000) 2.151 15.544 ( 0.000 3.734 0.000) 3.734 15.608 ( 0.000 -2.883 0.000) 2.883 15.664 ( 0.000 0.675 0.000) 0.675 15.680 ( 0.000 -1.027 0.000) 1.027 15.822 ( 0.000 1.857 0.000) 1.857 15.854 ( 0.000 -1.529 0.000) 1.529 15.885 ( 0.000 0.029 0.000) 0.029 15.887 ( 0.000 -0.143 0.000) 0.143 16.404 ( 0.000 1.475 0.000) 1.475 16.433 ( 0.000 -1.595 0.000) 1.595 16.457 ( 0.000 0.435 0.000) 0.435 16.465 ( 0.000 -0.319 0.000) 0.319 16.777 ( 0.000 1.283 0.000) 1.283 16.803 ( 0.000 -1.329 0.000) 1.329 17.225 ( 0.000 0.689 0.000) 0.689 17.237 ( 0.000 -0.619 0.000) 0.619 19.817 ( 0.000 0.028 0.000) 0.028 19.818 ( 0.000 -0.028 0.000) 0.028 19.852 ( 0.000 0.047 0.000) 0.047 19.852 ( 0.000 -0.047 0.000) 0.047 20.616 ( 0.000 0.115 0.000) 0.115 20.618 ( 0.000 -0.142 0.000) 0.142 20.956 ( 0.000 0.058 0.000) 0.058 20.957 ( 0.000 -0.020 0.000) 0.020 22.008 ( 0.000 0.036 0.000) 0.036 22.009 ( 0.000 -0.036 0.000) 0.036 22.159 ( 0.000 3.858 0.000) 3.858 22.186 ( 0.000 2.625 0.000) 2.625 22.243 ( 0.000 -4.135 0.000) 4.135 22.250 ( 0.000 -5.351 0.000) 5.351 22.320 ( 0.000 0.413 0.000) 0.413 22.329 ( 0.000 -0.597 0.000) 0.597 22.482 ( 0.000 5.575 0.000) 5.575 22.567 ( 0.000 -3.755 0.000) 3.755 22.667 ( 0.000 2.401 0.000) 2.401 22.672 ( 0.000 5.138 0.000) 5.138 22.702 ( 0.000 -1.244 0.000) 1.244 22.780 ( 0.000 -6.144 0.000) 6.144 23.441 ( 0.000 4.994 0.000) 4.994 23.525 ( 0.000 -3.831 0.000) 3.831 23.800 ( 0.000 2.499 0.000) 2.499 23.856 ( 0.000 -3.307 0.000) 3.307 23.922 ( 0.000 0.774 0.000) 0.774 23.936 ( 0.000 -0.701 0.000) 0.701 24.122 ( 0.000 2.136 0.000) 2.136 24.153 ( 0.000 -1.123 0.000) 1.123 24.415 ( 0.000 0.817 0.000) 0.817 24.429 ( 0.000 -0.615 0.000) 0.615 24.633 ( 0.000 1.321 0.000) 1.321 24.666 ( 0.000 -2.096 0.000) 2.096 24.705 ( 0.000 1.363 0.000) 1.363 24.733 ( 0.000 -1.432 0.000) 1.432 24.801 ( 0.000 1.237 0.000) 1.237 24.818 ( 0.000 -0.669 0.000) 0.669 25.018 ( 0.000 2.506 0.000) 2.506 25.081 ( 0.000 -4.127 0.000) 4.127 25.585 ( 0.000 0.437 0.000) 0.437 25.593 ( 0.000 -0.426 0.000) 0.426 25.696 ( 0.000 0.124 0.000) 0.124 25.698 ( 0.000 -0.120 0.000) 0.120 25.746 ( 0.000 8.830 0.000) 8.830 25.917 ( 0.000 -9.236 0.000) 9.236 26.431 ( 0.000 5.644 0.000) 5.644 26.519 ( 0.000 -3.791 0.000) 3.791 ======================= Grid point 10 (7/40) ======================= q-point: ( 0.11 0.33 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.695 ( 13.225 27.523 0.000) 30.536 0.967 ( 23.003 26.982 0.000) 35.457 1.262 ( 4.686 -32.119 0.000) 32.459 1.494 ( 13.968 -30.596 0.000) 33.633 1.688 ( 36.421 43.965 0.000) 57.091 2.290 ( 11.858 11.949 0.000) 16.834 2.420 ( 4.635 20.600 0.000) 21.115 2.598 ( 16.258 -35.320 0.000) 38.882 2.642 ( 19.795 -9.540 0.000) 21.974 2.744 ( 2.374 -16.316 0.000) 16.488 3.152 ( 22.907 -0.388 0.000) 22.910 3.209 ( 21.292 -6.251 0.000) 22.191 3.300 ( 1.469 9.491 0.000) 9.604 3.366 ( 6.040 1.239 0.000) 6.166 3.422 ( 6.793 -0.349 0.000) 6.802 3.435 ( 17.970 8.325 0.000) 19.805 3.535 ( 8.040 -6.010 0.000) 10.038 3.561 ( 20.100 -5.123 0.000) 20.742 3.872 ( 19.383 3.361 0.000) 19.672 3.904 ( 20.653 -0.627 0.000) 20.662 4.119 ( 2.777 6.001 0.000) 6.612 4.305 ( 1.476 -10.950 0.000) 11.049 4.353 ( -5.973 4.037 0.000) 7.209 4.417 ( -2.607 -2.537 0.000) 3.637 4.457 ( 1.509 17.642 0.000) 17.707 4.463 ( -2.461 6.114 0.000) 6.590 4.542 ( 5.294 -0.586 0.000) 5.327 4.691 ( 3.244 4.674 0.000) 5.689 4.748 ( 2.463 -2.295 0.000) 3.367 4.812 ( -0.753 -20.787 0.000) 20.800 4.831 ( 4.771 14.013 0.000) 14.803 5.065 ( 1.195 -6.591 0.000) 6.698 5.088 ( -14.679 4.362 0.000) 15.313 5.148 ( 2.955 0.875 0.000) 3.082 5.175 ( -11.578 -5.071 0.000) 12.640 5.237 ( -9.104 2.238 0.000) 9.375 5.268 ( -2.062 -9.966 0.000) 10.177 5.286 ( -7.829 -3.493 0.000) 8.573 5.461 ( -3.660 9.740 0.000) 10.405 5.562 ( -5.939 5.700 0.000) 8.232 5.607 ( -7.393 -1.147 0.000) 7.482 5.655 ( -3.316 -11.040 0.000) 11.528 5.766 ( -5.053 3.632 0.000) 6.224 5.784 ( 2.990 5.730 0.000) 6.463 5.786 ( -1.413 0.655 0.000) 1.557 5.945 ( -1.650 -9.501 0.000) 9.643 6.062 ( -7.859 11.686 0.000) 14.083 6.139 ( 3.435 5.147 0.000) 6.188 6.139 ( 1.482 13.205 0.000) 13.288 6.340 ( -5.719 4.122 0.000) 7.050 6.357 ( 7.461 -6.268 0.000) 9.744 6.429 ( 2.861 -0.195 0.000) 2.868 6.473 ( -0.148 6.228 0.000) 6.230 6.508 ( 3.516 -7.401 0.000) 8.194 6.617 ( -1.247 -12.875 0.000) 12.935 6.683 ( -4.852 -20.842 0.000) 21.399 6.696 ( -8.473 3.131 0.000) 9.033 6.719 ( -7.703 0.524 0.000) 7.721 6.880 ( 0.758 6.846 0.000) 6.888 6.886 ( -2.065 3.707 0.000) 4.243 6.941 ( -0.878 -0.019 0.000) 0.879 6.963 ( -9.011 -3.640 0.000) 9.718 7.049 ( 2.790 2.107 0.000) 3.496 7.088 ( 8.799 -1.872 0.000) 8.996 7.097 ( 1.809 -5.088 0.000) 5.400 7.196 ( 1.542 -9.470 0.000) 9.594 7.266 ( -0.587 8.404 0.000) 8.424 7.344 ( -3.682 1.453 0.000) 3.959 7.353 ( -2.269 3.883 0.000) 4.498 7.493 ( -12.571 7.891 0.000) 14.843 7.518 ( -12.481 -9.740 0.000) 15.832 7.601 ( -11.137 -2.673 0.000) 11.453 7.691 ( 4.428 8.638 0.000) 9.707 7.748 ( 7.610 5.341 0.000) 9.297 7.802 ( -2.048 4.862 0.000) 5.275 7.873 ( 3.398 1.414 0.000) 3.681 7.879 ( -1.552 -2.422 0.000) 2.876 7.972 ( 0.053 15.524 0.000) 15.524 7.985 ( 8.350 -8.080 0.000) 11.619 8.022 ( 0.325 12.673 0.000) 12.677 8.069 ( 4.287 0.480 0.000) 4.314 8.174 ( -0.473 -0.899 0.000) 1.015 8.251 ( -0.690 -4.979 0.000) 5.026 8.338 ( 3.638 -10.017 0.000) 10.657 8.436 ( 2.246 5.724 0.000) 6.149 8.483 ( -4.706 1.992 0.000) 5.110 8.511 ( -6.082 0.892 0.000) 6.148 8.576 ( 4.232 -9.096 0.000) 10.032 8.594 ( -1.285 3.735 0.000) 3.949 8.673 ( -1.121 -6.092 0.000) 6.195 8.731 ( 5.414 2.900 0.000) 6.142 8.784 ( 2.863 0.329 0.000) 2.882 9.078 ( -1.953 -3.723 0.000) 4.204 9.084 ( 0.198 -4.736 0.000) 4.741 9.113 ( -3.942 10.972 0.000) 11.659 9.182 ( 0.607 4.222 0.000) 4.265 9.209 ( -3.141 0.470 0.000) 3.176 9.275 ( 0.173 -3.881 0.000) 3.885 9.304 ( 6.486 0.005 0.000) 6.486 9.360 ( 11.656 -3.382 0.000) 12.137 9.441 ( -4.396 7.181 0.000) 8.420 9.562 ( -0.337 5.650 0.000) 5.660 9.587 ( -3.351 -6.976 0.000) 7.739 9.640 ( 1.181 -2.968 0.000) 3.194 9.706 ( -2.119 -0.338 0.000) 2.146 9.718 ( 1.393 -0.614 0.000) 1.523 9.826 ( 2.503 10.399 0.000) 10.696 9.876 ( 4.062 -0.332 0.000) 4.076 9.919 ( 0.768 5.302 0.000) 5.357 9.964 ( -4.007 3.733 0.000) 5.476 10.009 ( 1.309 -1.276 0.000) 1.828 10.089 ( 2.477 -5.556 0.000) 6.083 10.116 ( -1.933 -0.189 0.000) 1.942 10.153 ( -3.328 -2.779 0.000) 4.335 10.329 ( -2.890 0.720 0.000) 2.978 10.398 ( 5.922 1.899 0.000) 6.219 10.431 ( 2.450 -8.757 0.000) 9.093 10.447 ( 1.865 -2.674 0.000) 3.261 10.604 ( 2.441 2.734 0.000) 3.665 10.661 ( 4.639 -2.591 0.000) 5.313 10.700 ( 1.877 3.975 0.000) 4.395 10.753 ( 2.898 -2.230 0.000) 3.657 10.764 ( 5.501 2.511 0.000) 6.047 10.817 ( 5.728 -2.716 0.000) 6.339 10.897 ( 4.015 3.746 0.000) 5.491 10.962 ( 2.712 -3.252 0.000) 4.234 11.098 ( 0.445 3.844 0.000) 3.869 11.156 ( 0.252 -2.437 0.000) 2.450 11.203 ( -4.030 14.020 0.000) 14.588 11.272 ( 7.596 1.595 0.000) 7.762 11.300 ( 7.090 -1.371 0.000) 7.222 11.417 ( -1.945 -6.211 0.000) 6.509 11.468 ( -6.775 -0.639 0.000) 6.805 11.526 ( -5.140 -4.773 0.000) 7.014 11.643 ( -1.447 4.681 0.000) 4.900 11.710 ( 3.114 0.587 0.000) 3.168 11.732 ( -7.407 5.309 0.000) 9.113 11.788 ( -1.318 0.526 0.000) 1.419 11.831 ( -5.896 -5.225 0.000) 7.878 11.846 ( -4.150 -8.018 0.000) 9.028 11.979 ( -3.803 3.681 0.000) 5.293 12.030 ( 2.385 2.930 0.000) 3.778 12.058 ( -4.872 -5.068 0.000) 7.030 12.076 ( -0.594 -1.455 0.000) 1.571 12.284 ( -10.366 2.562 0.000) 10.678 12.303 ( -12.926 1.265 0.000) 12.987 12.314 ( -9.668 -1.735 0.000) 9.823 12.330 ( 3.118 3.196 0.000) 4.465 12.350 ( -9.069 -2.877 0.000) 9.514 12.387 ( 8.033 -2.333 0.000) 8.365 12.537 ( 8.830 6.308 0.000) 10.852 12.660 ( 5.303 -6.121 0.000) 8.098 12.755 ( -6.490 7.260 0.000) 9.738 12.844 ( -12.153 -3.075 0.000) 12.536 12.915 ( 3.102 3.790 0.000) 4.897 12.957 ( -10.389 4.769 0.000) 11.431 12.969 ( -0.064 -1.353 0.000) 1.355 13.030 ( 7.309 5.755 0.000) 9.303 13.086 ( -3.616 -8.784 0.000) 9.499 13.188 ( 6.763 -11.581 0.000) 13.411 13.208 ( 0.262 1.737 0.000) 1.757 13.248 ( -1.036 -2.344 0.000) 2.562 13.555 ( 1.445 7.855 0.000) 7.986 13.626 ( 3.785 3.512 0.000) 5.163 13.635 ( 3.392 3.474 0.000) 4.855 13.719 ( -1.887 -1.952 0.000) 2.715 13.819 ( -1.247 -1.285 0.000) 1.791 13.833 ( 4.553 -0.750 0.000) 4.614 13.856 ( -1.432 -4.801 0.000) 5.010 13.951 ( 3.081 -7.172 0.000) 7.805 14.076 ( 2.957 4.876 0.000) 5.702 14.161 ( 4.787 -4.594 0.000) 6.635 14.357 ( 5.978 3.732 0.000) 7.047 14.384 ( 11.675 18.863 0.000) 22.184 14.411 ( 6.265 -2.154 0.000) 6.625 14.821 ( 16.581 -30.760 0.000) 34.944 15.459 ( -6.297 3.236 0.000) 7.080 15.500 ( -6.553 -0.733 0.000) 6.594 15.630 ( -3.126 0.704 0.000) 3.205 15.647 ( -3.086 -1.040 0.000) 3.257 15.729 ( -5.425 8.017 0.000) 9.680 15.793 ( -2.678 1.884 0.000) 3.275 15.827 ( -2.606 -1.584 0.000) 3.049 15.848 ( -6.985 -5.334 0.000) 8.789 16.424 ( 0.125 1.080 0.000) 1.087 16.444 ( -0.261 -0.687 0.000) 0.735 16.594 ( 9.434 8.750 0.000) 12.867 16.739 ( -3.603 1.275 0.000) 3.822 16.764 ( -3.628 -1.303 0.000) 3.855 16.872 ( 14.395 -24.026 0.000) 28.008 17.177 ( -4.489 0.678 0.000) 4.540 17.190 ( -4.508 -0.618 0.000) 4.550 19.887 ( 4.948 0.834 0.000) 5.018 19.899 ( 4.758 -0.412 0.000) 4.776 19.998 ( 13.155 4.515 0.000) 13.908 20.198 ( 20.749 -21.966 0.000) 30.216 20.612 ( -0.394 0.072 0.000) 0.401 20.613 ( -0.477 -0.102 0.000) 0.488 20.945 ( -1.163 0.048 0.000) 1.164 20.946 ( -1.048 -0.005 0.000) 1.048 21.983 ( -1.469 8.022 0.000) 8.155 22.053 ( 3.597 -1.570 0.000) 3.925 22.090 ( -4.135 1.279 0.000) 4.328 22.103 ( -4.390 -0.072 0.000) 4.390 22.313 ( 2.535 -0.541 0.000) 2.593 22.340 ( 4.353 -3.575 0.000) 5.633 22.374 ( 4.644 1.192 0.000) 4.794 22.410 ( 6.098 -2.981 0.000) 6.787 22.476 ( 0.932 3.159 0.000) 3.294 22.508 ( -3.021 -0.038 0.000) 3.022 22.631 ( -3.416 5.948 0.000) 6.859 22.710 ( 2.645 0.166 0.000) 2.650 22.718 ( 1.689 -0.415 0.000) 1.739 22.754 ( -2.103 -7.021 0.000) 7.329 23.355 ( -8.170 7.559 0.000) 11.130 23.459 ( -5.924 -3.930 0.000) 7.110 23.759 ( -9.115 7.455 0.000) 11.776 23.790 ( -1.052 2.479 0.000) 2.693 23.844 ( -1.158 -3.171 0.000) 3.376 23.867 ( -7.635 -5.664 0.000) 9.506 24.123 ( -0.022 1.805 0.000) 1.805 24.148 ( -0.588 -0.872 0.000) 1.052 24.202 ( -14.674 8.441 0.000) 16.928 24.279 ( -11.215 -1.663 0.000) 11.337 24.632 ( -0.249 0.926 0.000) 0.959 24.657 ( -0.921 -1.663 0.000) 1.901 24.693 ( -0.735 1.258 0.000) 1.457 24.724 ( -0.322 -2.124 0.000) 2.148 24.798 ( -0.015 1.334 0.000) 1.334 24.819 ( 0.197 -0.829 0.000) 0.852 25.054 ( 2.079 2.083 0.000) 2.943 25.105 ( 1.049 -3.171 0.000) 3.340 25.380 ( -13.498 24.301 0.000) 27.798 25.548 ( -3.419 0.436 0.000) 3.447 25.557 ( -3.421 -0.430 0.000) 3.448 25.642 ( -4.871 0.184 0.000) 4.875 25.646 ( -4.714 -0.177 0.000) 4.717 25.790 ( -13.372 -21.488 0.000) 25.309 26.345 ( -9.510 7.184 0.000) 11.919 26.439 ( -7.534 -3.479 0.000) 8.298 ======================= Grid point 11 (8/40) ======================= q-point: ( 0.22 0.33 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.142 ( 26.237 12.756 0.000) 29.174 1.502 ( 17.786 -25.802 0.000) 31.338 1.529 ( 29.856 16.126 0.000) 33.933 1.882 ( 22.487 -22.014 0.000) 31.469 2.466 ( 30.159 25.136 0.000) 39.261 2.565 ( 8.999 15.805 0.000) 18.188 2.731 ( 32.944 23.080 0.000) 40.224 2.830 ( 5.930 -14.560 0.000) 15.722 2.955 ( 18.597 -23.410 0.000) 29.898 3.146 ( 26.310 -18.295 0.000) 32.045 3.355 ( 3.865 9.690 0.000) 10.433 3.471 ( 4.154 -4.181 0.000) 5.894 3.623 ( 11.517 6.840 0.000) 13.395 3.663 ( 17.981 5.742 0.000) 18.876 3.737 ( 27.834 -4.044 0.000) 28.126 3.775 ( 13.461 -7.681 0.000) 15.499 3.849 ( 19.462 7.957 0.000) 21.026 4.032 ( 18.398 -7.081 0.000) 19.713 4.169 ( 0.890 6.968 0.000) 7.025 4.203 ( -3.493 6.212 0.000) 7.127 4.291 ( 7.922 0.079 0.000) 7.922 4.336 ( 19.196 -0.052 0.000) 19.196 4.341 ( 1.256 -8.882 0.000) 8.970 4.391 ( 6.624 -4.332 0.000) 7.915 4.483 ( -1.594 10.927 0.000) 11.042 4.520 ( 10.160 5.828 0.000) 11.712 4.614 ( -21.409 0.198 0.000) 21.410 4.664 ( 2.626 -8.078 0.000) 8.494 4.746 ( 3.036 4.354 0.000) 5.308 4.804 ( -15.364 -4.088 0.000) 15.898 4.838 ( 11.169 -5.005 0.000) 12.240 4.857 ( -5.602 -11.403 0.000) 12.705 4.974 ( -14.661 3.739 0.000) 15.131 4.978 ( 8.730 6.126 0.000) 10.665 5.058 ( -13.126 -5.752 0.000) 14.331 5.090 ( 2.158 -3.039 0.000) 3.727 5.159 ( -3.509 -0.889 0.000) 3.620 5.195 ( -3.952 0.628 0.000) 4.002 5.390 ( 0.700 8.213 0.000) 8.243 5.409 ( -9.139 4.780 0.000) 10.314 5.482 ( -4.509 -1.639 0.000) 4.798 5.547 ( -5.114 -7.491 0.000) 9.070 5.692 ( -1.994 4.337 0.000) 4.773 5.776 ( -0.063 -2.842 0.000) 2.843 5.862 ( 1.323 1.583 0.000) 2.063 5.892 ( -1.939 -1.040 0.000) 2.200 5.929 ( -5.814 16.702 0.000) 17.685 6.103 ( -6.131 7.893 0.000) 9.995 6.202 ( 0.126 6.450 0.000) 6.451 6.284 ( 1.689 -10.033 0.000) 10.174 6.302 ( -5.457 -4.517 0.000) 7.084 6.400 ( -6.534 -7.060 0.000) 9.620 6.418 ( -7.103 5.145 0.000) 8.771 6.496 ( -3.427 -2.954 0.000) 4.525 6.523 ( -3.858 -0.490 0.000) 3.889 6.618 ( -6.041 -4.666 0.000) 7.633 6.670 ( 6.403 2.035 0.000) 6.719 6.743 ( -14.812 1.640 0.000) 14.903 6.768 ( 8.871 -4.966 0.000) 10.167 6.807 ( -5.404 -4.347 0.000) 6.935 6.949 ( 7.481 4.637 0.000) 8.801 7.022 ( -8.956 3.759 0.000) 9.712 7.058 ( 9.130 -1.160 0.000) 9.203 7.098 ( 0.411 -4.798 0.000) 4.815 7.197 ( 3.354 -1.010 0.000) 3.503 7.230 ( -1.581 0.688 0.000) 1.724 7.299 ( 2.107 -6.993 0.000) 7.304 7.316 ( 5.442 -8.748 0.000) 10.303 7.333 ( 7.235 7.435 0.000) 10.374 7.435 ( 6.590 4.726 0.000) 8.109 7.444 ( 2.293 -3.524 0.000) 4.204 7.512 ( 7.035 -1.147 0.000) 7.128 7.724 ( -0.559 11.043 0.000) 11.058 7.736 ( -0.673 8.649 0.000) 8.675 7.838 ( -2.143 -2.798 0.000) 3.524 7.842 ( -3.570 7.775 0.000) 8.555 7.912 ( -1.328 -1.801 0.000) 2.238 7.949 ( -6.411 -3.364 0.000) 7.240 8.026 ( -4.741 3.387 0.000) 5.826 8.032 ( 4.676 9.602 0.000) 10.680 8.157 ( 4.162 -6.654 0.000) 7.849 8.260 ( -1.798 -7.519 0.000) 7.732 8.273 ( 10.140 7.494 0.000) 12.609 8.332 ( -7.639 5.853 0.000) 9.624 8.426 ( 3.238 3.363 0.000) 4.668 8.469 ( 0.240 -2.568 0.000) 2.580 8.508 ( -3.265 0.784 0.000) 3.358 8.523 ( 5.300 -6.716 0.000) 8.556 8.609 ( 1.452 -10.877 0.000) 10.974 8.620 ( -2.120 -5.168 0.000) 5.586 8.830 ( 4.049 4.073 0.000) 5.743 8.906 ( 8.116 -3.435 0.000) 8.813 9.027 ( -1.226 -0.603 0.000) 1.366 9.093 ( -0.140 -5.223 0.000) 5.225 9.139 ( 2.327 7.260 0.000) 7.624 9.193 ( 0.242 3.201 0.000) 3.210 9.216 ( 4.172 -1.912 0.000) 4.589 9.274 ( 0.279 -4.983 0.000) 4.991 9.356 ( -3.295 5.043 0.000) 6.024 9.468 ( -6.985 -7.121 0.000) 9.975 9.482 ( 8.401 1.765 0.000) 8.585 9.519 ( 4.322 -1.425 0.000) 4.551 9.579 ( -2.104 7.244 0.000) 7.543 9.633 ( -2.224 2.409 0.000) 3.279 9.674 ( -3.414 2.636 0.000) 4.313 9.729 ( -3.697 -0.896 0.000) 3.804 9.805 ( -3.811 5.503 0.000) 6.693 9.904 ( -9.067 -5.651 0.000) 10.683 9.924 ( -0.264 0.707 0.000) 0.755 9.935 ( -0.060 -0.521 0.000) 0.524 9.983 ( 14.444 7.277 0.000) 16.173 10.046 ( -2.805 6.294 0.000) 6.890 10.181 ( 5.640 -11.754 0.000) 13.037 10.206 ( 6.320 -8.897 0.000) 10.913 10.353 ( 7.408 7.921 0.000) 10.845 10.520 ( 6.350 -9.781 0.000) 11.661 10.555 ( 6.749 3.087 0.000) 7.422 10.624 ( 9.866 -4.050 0.000) 10.665 10.760 ( 9.243 3.500 0.000) 9.884 10.777 ( 4.695 2.826 0.000) 5.480 10.811 ( 10.580 -2.362 0.000) 10.840 10.826 ( 3.691 -3.063 0.000) 4.796 10.884 ( 6.685 2.621 0.000) 7.181 10.948 ( 6.730 -2.258 0.000) 7.099 10.994 ( 4.754 4.410 0.000) 6.485 11.039 ( 4.308 -0.153 0.000) 4.310 11.134 ( -2.209 11.367 0.000) 11.580 11.147 ( 3.712 2.121 0.000) 4.275 11.188 ( 2.662 -1.839 0.000) 3.236 11.318 ( -6.435 4.885 0.000) 8.079 11.374 ( -2.591 -13.758 0.000) 14.000 11.419 ( -4.213 -5.784 0.000) 7.156 11.428 ( 6.253 1.887 0.000) 6.532 11.458 ( 6.825 -1.484 0.000) 6.984 11.550 ( -10.772 5.726 0.000) 12.199 11.589 ( -2.869 7.628 0.000) 8.150 11.636 ( -16.237 -1.514 0.000) 16.307 11.721 ( -15.843 -2.529 0.000) 16.044 11.733 ( -1.360 -2.550 0.000) 2.890 11.742 ( -23.038 -4.756 0.000) 23.524 11.749 ( -2.888 1.341 0.000) 3.184 11.765 ( -2.339 -0.936 0.000) 2.520 12.019 ( -14.417 4.580 0.000) 15.127 12.064 ( 1.161 1.525 0.000) 1.917 12.080 ( -9.927 -0.223 0.000) 9.929 12.096 ( -10.750 1.399 0.000) 10.840 12.111 ( 2.423 -3.582 0.000) 4.325 12.174 ( -6.909 -5.194 0.000) 8.643 12.390 ( 2.255 6.735 0.000) 7.103 12.508 ( 2.018 -5.105 0.000) 5.490 12.513 ( -13.860 1.926 0.000) 13.993 12.554 ( -13.330 -2.930 0.000) 13.648 12.639 ( -0.597 3.982 0.000) 4.026 12.723 ( -1.244 -5.116 0.000) 5.265 12.801 ( -5.559 11.371 0.000) 12.657 12.922 ( 1.839 4.408 0.000) 4.777 12.991 ( 4.000 -3.583 0.000) 5.371 13.002 ( -4.753 -10.413 0.000) 11.446 13.197 ( -1.560 0.839 0.000) 1.771 13.204 ( 8.448 3.533 0.000) 9.157 13.209 ( -2.179 -0.231 0.000) 2.191 13.271 ( 1.757 -3.472 0.000) 3.892 13.569 ( 1.341 4.034 0.000) 4.251 13.658 ( -3.122 -4.176 0.000) 5.214 13.667 ( -0.760 3.448 0.000) 3.531 13.700 ( 2.816 3.039 0.000) 4.143 13.768 ( -3.354 -1.343 0.000) 3.613 13.830 ( -0.761 -5.203 0.000) 5.258 13.965 ( 7.883 5.160 0.000) 9.422 14.097 ( 8.290 -8.902 0.000) 12.164 14.163 ( 4.835 5.845 0.000) 7.585 14.276 ( 5.624 -6.585 0.000) 8.660 14.500 ( 7.282 4.702 0.000) 8.668 14.565 ( 8.030 -2.494 0.000) 8.409 14.602 ( 8.681 21.587 0.000) 23.267 14.999 ( 3.976 -21.011 0.000) 21.384 15.346 ( -4.177 3.049 0.000) 5.172 15.383 ( -4.773 -0.774 0.000) 4.835 15.541 ( -5.286 0.792 0.000) 5.345 15.559 ( -5.161 -1.099 0.000) 5.277 15.609 ( -5.946 3.724 0.000) 7.016 15.678 ( -8.741 -3.464 0.000) 9.403 15.714 ( -4.801 1.931 0.000) 5.175 15.749 ( -4.748 -1.690 0.000) 5.040 16.417 ( -0.740 0.319 0.000) 0.806 16.431 ( -0.986 -0.817 0.000) 1.281 16.637 ( -5.929 1.283 0.000) 6.066 16.662 ( -5.912 -1.270 0.000) 6.046 16.713 ( 1.642 11.255 0.000) 11.374 16.949 ( -3.315 -13.458 0.000) 13.860 17.049 ( -7.534 0.603 0.000) 7.558 17.060 ( -7.657 -0.564 0.000) 7.678 20.023 ( 7.867 0.690 0.000) 7.897 20.033 ( 7.848 -0.393 0.000) 7.858 20.280 ( 12.464 7.419 0.000) 14.505 20.492 ( 8.900 -15.859 0.000) 18.186 20.596 ( -1.210 0.051 0.000) 1.212 20.598 ( -0.988 -0.089 0.000) 0.992 20.907 ( -2.520 0.205 0.000) 2.529 20.911 ( -2.379 -0.139 0.000) 2.383 21.954 ( -1.547 12.337 0.000) 12.434 22.013 ( -3.225 0.707 0.000) 3.302 22.025 ( -3.119 -0.521 0.000) 3.162 22.114 ( 1.277 -5.447 0.000) 5.595 22.288 ( -3.621 0.847 0.000) 3.718 22.312 ( -5.441 -1.608 0.000) 5.674 22.453 ( 0.613 0.918 0.000) 1.104 22.462 ( -3.892 0.329 0.000) 3.906 22.560 ( 6.581 0.601 0.000) 6.609 22.568 ( 6.721 -0.166 0.000) 6.723 22.645 ( 7.815 2.858 0.000) 8.321 22.739 ( 2.575 -6.726 0.000) 7.202 22.760 ( 2.956 0.989 0.000) 3.117 22.778 ( 3.706 -0.915 0.000) 3.817 23.156 ( -9.265 7.249 0.000) 11.764 23.297 ( -9.176 -7.742 0.000) 12.006 23.600 ( -5.887 6.186 0.000) 8.540 23.705 ( -7.459 -4.425 0.000) 8.673 23.755 ( -2.306 2.481 0.000) 3.387 23.808 ( -2.296 -2.960 0.000) 3.746 23.930 ( -10.944 7.085 0.000) 13.037 24.032 ( -11.572 -3.815 0.000) 12.184 24.111 ( -1.589 0.637 0.000) 1.712 24.116 ( -2.974 0.098 0.000) 2.976 24.613 ( -1.780 0.402 0.000) 1.825 24.626 ( -1.987 -0.982 0.000) 2.217 24.673 ( -1.353 1.245 0.000) 1.838 24.705 ( -1.640 -2.224 0.000) 2.763 24.814 ( 1.806 1.316 0.000) 2.235 24.836 ( 1.648 -0.963 0.000) 1.909 25.082 ( 0.667 1.242 0.000) 1.410 25.106 ( -0.779 -1.042 0.000) 1.300 25.209 ( -5.084 14.180 0.000) 15.063 25.453 ( -5.511 0.382 0.000) 5.525 25.460 ( -5.591 -0.421 0.000) 5.607 25.518 ( -6.324 0.580 0.000) 6.351 25.519 ( -11.635 -18.800 0.000) 22.109 25.528 ( -5.738 -0.532 0.000) 5.762 26.087 ( -14.097 9.717 0.000) 17.122 26.216 ( -13.166 -4.854 0.000) 14.032 ======================= Grid point 12 (9/40) ======================= q-point: ( 0.33 0.33 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 27.588 6.809 0.000) 28.416 1.925 ( 21.750 -17.970 0.000) 28.214 2.171 ( 31.439 10.095 0.000) 33.020 2.388 ( 25.369 -12.965 0.000) 28.490 2.757 ( 7.726 9.769 0.000) 12.455 2.883 ( 14.333 26.849 0.000) 30.435 2.964 ( 4.969 -13.990 0.000) 14.847 3.316 ( 14.046 -20.657 0.000) 24.980 3.440 ( 3.212 5.729 0.000) 6.568 3.494 ( 30.098 8.006 0.000) 31.144 3.514 ( -1.658 -2.711 0.000) 3.178 3.618 ( 14.941 -3.458 0.000) 15.336 3.832 ( 6.694 12.405 0.000) 14.096 3.897 ( 7.612 3.727 0.000) 8.475 3.958 ( -6.787 -0.665 0.000) 6.820 3.972 ( 0.265 -3.552 0.000) 3.562 4.042 ( -7.007 -0.876 0.000) 7.061 4.091 ( -1.090 -4.112 0.000) 4.254 4.099 ( -10.525 3.934 0.000) 11.236 4.218 ( -1.360 7.983 0.000) 8.098 4.271 ( -10.188 -11.749 0.000) 15.551 4.282 ( 8.134 6.103 0.000) 10.169 4.359 ( -4.966 -6.528 0.000) 8.202 4.442 ( 12.940 -0.647 0.000) 12.956 4.481 ( 4.698 -1.524 0.000) 4.939 4.608 ( -4.198 -5.824 0.000) 7.180 4.657 ( -4.816 5.855 0.000) 7.581 4.742 ( -3.921 1.322 0.000) 4.138 4.754 ( -7.420 6.254 0.000) 9.704 4.787 ( -3.150 -3.936 0.000) 5.041 4.862 ( 12.127 -1.966 0.000) 12.285 4.885 ( 0.384 -10.618 0.000) 10.625 4.905 ( 15.040 -1.049 0.000) 15.076 4.969 ( 14.460 -6.585 0.000) 15.889 5.123 ( 1.922 7.064 0.000) 7.321 5.186 ( 17.705 7.095 0.000) 19.073 5.211 ( -8.662 11.302 0.000) 14.240 5.245 ( 10.589 -4.598 0.000) 11.544 5.354 ( 15.836 -9.431 0.000) 18.432 5.378 ( -5.941 -4.394 0.000) 7.389 5.467 ( -0.195 5.215 0.000) 5.218 5.538 ( 10.452 -2.674 0.000) 10.789 5.637 ( -5.163 5.863 0.000) 7.813 5.738 ( -5.036 -4.511 0.000) 6.761 5.820 ( -4.136 7.162 0.000) 8.270 5.865 ( 3.030 1.646 0.000) 3.448 5.903 ( 3.366 0.272 0.000) 3.377 5.970 ( -7.934 -0.916 0.000) 7.987 6.127 ( 0.237 9.487 0.000) 9.490 6.251 ( -1.764 -0.357 0.000) 1.800 6.265 ( 0.358 -3.373 0.000) 3.392 6.307 ( -1.020 5.616 0.000) 5.708 6.334 ( -11.123 -0.381 0.000) 11.129 6.378 ( -11.154 -0.392 0.000) 11.161 6.418 ( -2.329 -6.781 0.000) 7.170 6.501 ( 2.853 -12.154 0.000) 12.484 6.522 ( -2.412 6.248 0.000) 6.697 6.688 ( -6.808 -8.235 0.000) 10.685 6.794 ( 5.315 6.920 0.000) 8.725 6.897 ( -5.308 6.394 0.000) 8.310 6.924 ( 0.947 -1.313 0.000) 1.619 7.027 ( -6.264 -8.132 0.000) 10.265 7.092 ( 3.687 4.175 0.000) 5.570 7.171 ( 8.740 -0.869 0.000) 8.783 7.257 ( 4.365 -1.118 0.000) 4.506 7.318 ( 2.151 0.852 0.000) 2.313 7.338 ( 2.543 -0.894 0.000) 2.696 7.384 ( 8.642 -8.073 0.000) 11.826 7.463 ( -11.353 3.232 0.000) 11.804 7.491 ( -16.100 -0.399 0.000) 16.105 7.629 ( 9.520 2.982 0.000) 9.976 7.655 ( -1.400 -0.125 0.000) 1.405 7.662 ( 9.221 -0.752 0.000) 9.251 7.678 ( 0.530 0.684 0.000) 0.865 7.769 ( -5.464 7.054 0.000) 8.923 7.796 ( 2.069 0.744 0.000) 2.199 7.871 ( -6.774 5.150 0.000) 8.510 7.875 ( 8.336 -5.045 0.000) 9.744 7.943 ( -2.823 -3.870 0.000) 4.790 8.111 ( -9.875 -10.542 0.000) 14.444 8.150 ( 6.842 13.490 0.000) 15.126 8.280 ( 6.968 -1.201 0.000) 7.071 8.291 ( 0.521 12.668 0.000) 12.679 8.365 ( -2.475 11.606 0.000) 11.867 8.473 ( -2.488 -9.674 0.000) 9.989 8.478 ( 1.444 4.279 0.000) 4.516 8.566 ( 0.817 -4.844 0.000) 4.913 8.579 ( 18.969 2.119 0.000) 19.087 8.657 ( 1.763 -16.654 0.000) 16.748 8.744 ( 11.825 -12.191 0.000) 16.983 8.971 ( 11.082 5.887 0.000) 12.549 9.038 ( 0.936 3.416 0.000) 3.542 9.083 ( -0.522 -1.884 0.000) 1.955 9.092 ( 9.800 -5.757 0.000) 11.366 9.192 ( -0.503 3.733 0.000) 3.767 9.201 ( 1.863 2.431 0.000) 3.063 9.263 ( -0.671 1.503 0.000) 1.645 9.283 ( -7.235 -0.576 0.000) 7.258 9.294 ( 1.116 -6.627 0.000) 6.720 9.370 ( 5.012 -3.290 0.000) 5.995 9.430 ( -5.843 10.621 0.000) 12.122 9.550 ( -2.815 -2.215 0.000) 3.582 9.601 ( 0.702 3.692 0.000) 3.758 9.621 ( 5.157 6.203 0.000) 8.067 9.665 ( 2.107 0.146 0.000) 2.112 9.716 ( 7.830 -4.202 0.000) 8.887 9.745 ( -5.606 2.130 0.000) 5.997 9.821 ( -0.741 -4.951 0.000) 5.006 9.870 ( -2.960 0.198 0.000) 2.967 9.877 ( -4.622 -0.510 0.000) 4.650 10.024 ( 1.705 13.945 0.000) 14.048 10.260 ( 4.469 1.546 0.000) 4.729 10.302 ( 6.633 -3.197 0.000) 7.363 10.302 ( 0.278 -15.251 0.000) 15.254 10.598 ( 10.919 2.297 0.000) 11.158 10.653 ( 2.647 -1.302 0.000) 2.950 10.654 ( 3.444 6.462 0.000) 7.322 10.747 ( 4.057 -3.046 0.000) 5.073 10.812 ( -3.390 -2.879 0.000) 4.447 10.831 ( -6.010 -3.559 0.000) 6.985 10.904 ( 5.642 3.960 0.000) 6.893 11.006 ( 5.808 -5.066 0.000) 7.707 11.035 ( -0.586 4.824 0.000) 4.859 11.039 ( -9.871 6.271 0.000) 11.695 11.067 ( -6.507 8.562 0.000) 10.754 11.079 ( 7.912 -0.150 0.000) 7.914 11.133 ( -3.347 -3.404 0.000) 4.774 11.136 ( 3.702 4.610 0.000) 5.912 11.219 ( -9.400 -6.275 0.000) 11.302 11.235 ( -1.942 1.883 0.000) 2.705 11.256 ( -3.205 -1.659 0.000) 3.609 11.264 ( -3.335 -2.077 0.000) 3.929 11.314 ( 3.441 -4.181 0.000) 5.415 11.408 ( 1.919 -7.957 0.000) 8.185 11.422 ( -5.267 0.773 0.000) 5.323 11.439 ( -5.844 -1.839 0.000) 6.127 11.523 ( -0.475 5.134 0.000) 5.155 11.534 ( -2.500 6.630 0.000) 7.086 11.626 ( 0.797 -4.922 0.000) 4.986 11.663 ( -3.023 -6.426 0.000) 7.102 11.706 ( -2.851 4.422 0.000) 5.262 11.714 ( -12.596 2.253 0.000) 12.796 11.719 ( -2.241 2.667 0.000) 3.484 11.760 ( -11.496 -2.762 0.000) 11.823 12.011 ( -0.726 2.789 0.000) 2.882 12.055 ( -2.980 -1.751 0.000) 3.457 12.080 ( 0.174 1.652 0.000) 1.661 12.145 ( 0.725 -4.784 0.000) 4.839 12.280 ( -8.325 2.365 0.000) 8.654 12.341 ( -7.753 -4.424 0.000) 8.927 12.399 ( -2.443 4.882 0.000) 5.459 12.452 ( -7.100 -0.930 0.000) 7.160 12.545 ( -4.635 5.058 0.000) 6.861 12.662 ( -2.530 -7.424 0.000) 7.843 12.684 ( -5.829 11.499 0.000) 12.892 12.890 ( -5.909 -11.015 0.000) 12.500 12.993 ( 2.935 5.260 0.000) 6.024 13.079 ( 1.678 -4.026 0.000) 4.361 13.139 ( -3.337 2.968 0.000) 4.466 13.170 ( -2.152 -0.843 0.000) 2.311 13.280 ( 2.102 3.631 0.000) 4.195 13.367 ( 6.754 -5.330 0.000) 8.604 13.606 ( -4.600 3.310 0.000) 5.668 13.636 ( 3.053 0.303 0.000) 3.068 13.647 ( 3.620 -0.563 0.000) 3.664 13.680 ( -4.124 -4.412 0.000) 6.039 13.753 ( 1.308 3.612 0.000) 3.841 13.818 ( -0.793 -3.045 0.000) 3.146 14.119 ( 6.626 6.410 0.000) 9.219 14.251 ( 3.128 5.859 0.000) 6.642 14.260 ( 7.053 -9.184 0.000) 11.580 14.375 ( 3.605 -7.706 0.000) 8.508 14.645 ( 6.499 6.241 0.000) 9.010 14.733 ( 8.112 -3.499 0.000) 8.834 14.743 ( 4.928 17.530 0.000) 18.210 15.044 ( 0.653 -14.939 0.000) 14.953 15.283 ( -2.272 2.196 0.000) 3.160 15.313 ( -1.381 -0.368 0.000) 1.429 15.422 ( -5.819 1.022 0.000) 5.908 15.445 ( -5.453 -1.360 0.000) 5.620 15.502 ( -3.977 0.324 0.000) 3.991 15.512 ( -6.551 -0.672 0.000) 6.585 15.603 ( -5.637 1.903 0.000) 5.950 15.638 ( -5.779 -1.657 0.000) 6.012 16.396 ( -1.251 0.461 0.000) 1.333 16.408 ( -0.923 -0.693 0.000) 1.155 16.509 ( -5.938 1.389 0.000) 6.098 16.536 ( -5.803 -1.323 0.000) 5.951 16.696 ( -2.091 7.154 0.000) 7.453 16.830 ( -6.557 -6.804 0.000) 9.449 16.884 ( -7.729 0.310 0.000) 7.735 16.890 ( -8.187 -0.302 0.000) 8.193 20.198 ( 8.666 0.724 0.000) 8.696 20.209 ( 8.802 -0.454 0.000) 8.814 20.492 ( 8.127 5.119 0.000) 9.605 20.560 ( -2.450 0.373 0.000) 2.478 20.567 ( -2.062 -0.429 0.000) 2.106 20.617 ( 4.012 -8.023 0.000) 8.970 20.839 ( -4.036 0.378 0.000) 4.054 20.846 ( -3.840 -0.283 0.000) 3.850 21.919 ( -1.684 10.567 0.000) 10.701 21.955 ( -2.430 1.022 0.000) 2.636 21.976 ( -1.508 -1.140 0.000) 1.890 22.089 ( -3.337 -7.073 0.000) 7.821 22.204 ( -3.996 0.541 0.000) 4.033 22.214 ( -2.797 -0.493 0.000) 2.841 22.351 ( -5.772 1.116 0.000) 5.879 22.375 ( -6.414 -1.098 0.000) 6.508 22.699 ( 6.098 0.082 0.000) 6.099 22.707 ( 6.155 -0.846 0.000) 6.213 22.834 ( 7.687 -0.288 0.000) 7.692 22.845 ( 5.410 2.155 0.000) 5.823 22.854 ( 5.049 -3.015 0.000) 5.881 22.879 ( 6.117 -1.396 0.000) 6.274 23.031 ( -1.062 5.588 0.000) 5.688 23.137 ( -4.933 -6.401 0.000) 8.081 23.521 ( -1.928 4.300 0.000) 4.712 23.561 ( -5.329 1.544 0.000) 5.549 23.693 ( -3.714 2.716 0.000) 4.601 23.750 ( -3.221 -3.228 0.000) 4.560 23.766 ( -5.032 1.279 0.000) 5.192 23.822 ( -8.118 -3.462 0.000) 8.826 24.008 ( -7.589 1.700 0.000) 7.777 24.035 ( -6.156 -1.092 0.000) 6.252 24.570 ( -1.709 0.643 0.000) 1.826 24.585 ( -1.570 -0.878 0.000) 1.799 24.636 ( -2.119 0.928 0.000) 2.314 24.659 ( -2.631 -1.451 0.000) 3.004 24.873 ( 3.603 0.982 0.000) 3.735 24.891 ( 3.602 -0.845 0.000) 3.700 25.079 ( -1.919 2.540 0.000) 3.184 25.091 ( 0.189 0.024 0.000) 0.191 25.136 ( -1.738 5.738 0.000) 5.995 25.315 ( -8.021 -12.278 0.000) 14.666 25.334 ( -5.572 0.085 0.000) 5.573 25.338 ( -5.889 -0.314 0.000) 5.897 25.416 ( -2.770 1.688 0.000) 3.243 25.446 ( -1.465 -1.422 0.000) 2.042 25.798 ( -13.166 9.182 0.000) 16.052 25.928 ( -13.918 -5.149 0.000) 14.840 ======================= Grid point 13 (10/40) ======================= q-point: ( 0.44 0.33 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 27.283 2.105 0.000) 27.364 2.379 ( 21.552 -9.981 0.000) 23.751 2.723 ( -4.961 5.209 0.000) 7.194 2.770 ( -5.211 2.020 0.000) 5.588 2.838 ( 17.842 -1.662 0.000) 17.919 2.948 ( 11.635 -11.141 0.000) 16.108 3.086 ( 3.190 20.552 0.000) 20.798 3.359 ( -15.977 -6.811 0.000) 17.368 3.470 ( 1.673 3.352 0.000) 3.746 3.506 ( 6.257 -0.463 0.000) 6.274 3.615 ( -8.561 -4.798 0.000) 9.814 3.634 ( -6.097 -4.777 0.000) 7.746 3.879 ( -2.522 3.406 0.000) 4.239 3.881 ( -3.453 3.695 0.000) 5.057 3.926 ( 3.340 7.277 0.000) 8.007 3.942 ( -4.140 -2.538 0.000) 4.856 3.997 ( -0.964 1.150 0.000) 1.501 4.055 ( 2.624 2.780 0.000) 3.822 4.071 ( 6.117 -0.100 0.000) 6.117 4.134 ( -1.052 -4.992 0.000) 5.102 4.269 ( 2.419 3.260 0.000) 4.059 4.364 ( 0.851 -5.576 0.000) 5.641 4.385 ( -8.918 1.996 0.000) 9.139 4.416 ( -7.743 -0.026 0.000) 7.743 4.475 ( 6.633 5.533 0.000) 8.638 4.547 ( -2.409 1.556 0.000) 2.868 4.641 ( 3.448 -12.942 0.000) 13.393 4.664 ( -1.261 -10.657 0.000) 10.731 4.842 ( 12.064 7.579 0.000) 14.247 4.888 ( 5.405 2.416 0.000) 5.920 4.946 ( 4.017 -4.280 0.000) 5.869 4.967 ( 2.812 -3.553 0.000) 4.531 5.105 ( -0.921 11.589 0.000) 11.625 5.116 ( -0.603 2.281 0.000) 2.359 5.158 ( -3.758 -0.878 0.000) 3.860 5.210 ( 13.676 0.590 0.000) 13.689 5.221 ( -9.023 0.573 0.000) 9.041 5.311 ( 9.101 -2.768 0.000) 9.512 5.483 ( -9.735 1.538 0.000) 9.856 5.518 ( 6.836 8.471 0.000) 10.885 5.549 ( -12.522 -3.592 0.000) 13.027 5.672 ( -9.256 4.579 0.000) 10.327 5.678 ( 7.478 -9.221 0.000) 11.872 5.780 ( 21.179 -0.439 0.000) 21.183 5.805 ( -7.353 -7.599 0.000) 10.574 5.809 ( 21.639 -1.927 0.000) 21.725 6.015 ( 12.526 3.974 0.000) 13.141 6.082 ( 13.948 -2.987 0.000) 14.264 6.085 ( -9.621 0.658 0.000) 9.643 6.130 ( -10.679 -2.716 0.000) 11.019 6.290 ( 10.024 3.453 0.000) 10.602 6.296 ( -2.209 5.956 0.000) 6.353 6.323 ( -8.255 3.986 0.000) 9.168 6.331 ( 4.441 4.829 0.000) 6.560 6.454 ( 17.047 3.610 0.000) 17.425 6.460 ( -13.743 -1.977 0.000) 13.885 6.524 ( -5.150 -7.108 0.000) 8.778 6.616 ( 7.305 -9.450 0.000) 11.944 6.746 ( -8.112 4.118 0.000) 9.098 6.807 ( -14.353 -2.549 0.000) 14.577 6.885 ( -0.404 5.502 0.000) 5.517 6.910 ( 6.200 5.776 0.000) 8.474 7.055 ( -17.162 2.895 0.000) 17.404 7.101 ( -14.041 2.334 0.000) 14.234 7.158 ( 4.754 -0.675 0.000) 4.802 7.292 ( -5.841 -0.552 0.000) 5.867 7.360 ( 6.367 -19.487 0.000) 20.501 7.376 ( 8.211 10.182 0.000) 13.081 7.439 ( -0.004 -9.277 0.000) 9.277 7.548 ( 5.717 -7.552 0.000) 9.472 7.574 ( -10.229 6.877 0.000) 12.326 7.652 ( -4.788 -3.299 0.000) 5.815 7.727 ( 2.099 2.757 0.000) 3.465 7.757 ( 1.117 2.622 0.000) 2.850 7.766 ( 3.880 1.151 0.000) 4.047 7.777 ( 0.946 9.958 0.000) 10.003 7.810 ( -0.757 4.470 0.000) 4.534 7.856 ( -5.497 -7.019 0.000) 8.915 7.981 ( 1.473 -11.632 0.000) 11.724 7.986 ( -0.788 -12.859 0.000) 12.883 8.273 ( 3.853 19.538 0.000) 19.914 8.307 ( 0.111 18.165 0.000) 18.165 8.361 ( 1.288 8.499 0.000) 8.596 8.377 ( 1.079 7.279 0.000) 7.358 8.464 ( 0.922 -6.186 0.000) 6.254 8.480 ( -0.568 -1.354 0.000) 1.468 8.621 ( 3.810 -15.262 0.000) 15.731 8.662 ( -0.595 -17.941 0.000) 17.951 8.928 ( 12.057 0.566 0.000) 12.070 8.998 ( 6.752 -4.551 0.000) 8.142 9.023 ( -1.492 2.989 0.000) 3.341 9.060 ( -1.843 -1.484 0.000) 2.366 9.098 ( -1.393 0.338 0.000) 1.434 9.120 ( -0.548 -1.559 0.000) 1.652 9.144 ( -4.627 5.369 0.000) 7.088 9.252 ( -5.375 -4.606 0.000) 7.078 9.343 ( 17.014 5.587 0.000) 17.908 9.401 ( 12.709 2.326 0.000) 12.920 9.404 ( 1.524 6.562 0.000) 6.736 9.474 ( 18.587 -0.317 0.000) 18.589 9.518 ( -0.327 -2.155 0.000) 2.180 9.519 ( 6.638 -1.891 0.000) 6.903 9.662 ( 2.045 7.404 0.000) 7.681 9.664 ( -1.346 2.498 0.000) 2.837 9.714 ( -6.062 -2.067 0.000) 6.404 9.719 ( 3.707 0.858 0.000) 3.805 9.810 ( 9.205 -1.399 0.000) 9.311 9.839 ( -1.962 5.157 0.000) 5.518 9.874 ( 15.135 -7.744 0.000) 17.001 9.927 ( 4.750 -3.012 0.000) 5.625 10.031 ( -23.327 2.738 0.000) 23.487 10.117 ( 8.042 5.451 0.000) 9.715 10.132 ( -20.990 -5.415 0.000) 21.678 10.195 ( -7.394 -2.833 0.000) 7.918 10.376 ( -17.852 2.683 0.000) 18.052 10.445 ( -20.755 -2.372 0.000) 20.890 10.772 ( 6.664 0.403 0.000) 6.676 10.803 ( 2.175 -2.716 0.000) 3.480 10.819 ( -0.874 5.121 0.000) 5.195 10.871 ( -0.744 1.562 0.000) 1.731 10.904 ( 3.935 3.099 0.000) 5.009 10.937 ( -4.060 6.861 0.000) 7.972 10.995 ( 2.365 -5.716 0.000) 6.186 11.010 ( 2.916 1.799 0.000) 3.426 11.031 ( -1.916 -3.894 0.000) 4.340 11.059 ( -2.860 -6.930 0.000) 7.496 11.070 ( -1.711 -2.923 0.000) 3.387 11.133 ( -4.390 -8.148 0.000) 9.255 11.212 ( 5.507 1.683 0.000) 5.759 11.251 ( 3.255 -1.605 0.000) 3.629 11.252 ( -0.292 4.349 0.000) 4.359 11.319 ( 2.985 0.526 0.000) 3.031 11.389 ( 1.468 3.177 0.000) 3.500 11.406 ( 0.079 0.107 0.000) 0.133 11.412 ( 0.287 2.554 0.000) 2.570 11.460 ( -0.867 -2.055 0.000) 2.231 11.493 ( 0.760 5.397 0.000) 5.450 11.520 ( -2.073 5.636 0.000) 6.005 11.534 ( 2.977 2.280 0.000) 3.750 11.584 ( -3.548 -3.069 0.000) 4.691 11.595 ( -3.923 -0.518 0.000) 3.957 11.642 ( -4.509 1.440 0.000) 4.733 11.695 ( 0.962 -8.935 0.000) 8.987 11.698 ( 1.134 -5.983 0.000) 6.090 12.081 ( 0.743 3.103 0.000) 3.191 12.084 ( 6.000 3.033 0.000) 6.723 12.098 ( 5.467 0.641 0.000) 5.505 12.142 ( -0.323 -3.178 0.000) 3.194 12.152 ( -3.526 1.683 0.000) 3.907 12.212 ( -3.941 -3.855 0.000) 5.513 12.258 ( -8.809 2.996 0.000) 9.304 12.295 ( -7.968 -1.050 0.000) 8.037 12.508 ( 0.755 7.801 0.000) 7.838 12.570 ( -4.783 10.326 0.000) 11.379 12.663 ( 2.971 -8.328 0.000) 8.842 12.764 ( -6.022 -10.544 0.000) 12.143 13.034 ( 1.454 3.283 0.000) 3.591 13.074 ( -2.654 3.838 0.000) 4.666 13.081 ( 0.682 -1.768 0.000) 1.895 13.120 ( -2.477 -1.461 0.000) 2.875 13.375 ( 5.738 4.346 0.000) 7.198 13.489 ( 5.174 -8.031 0.000) 9.553 13.495 ( -5.727 3.782 0.000) 6.863 13.589 ( -4.579 -6.211 0.000) 7.716 13.707 ( 3.667 2.593 0.000) 4.491 13.733 ( 3.464 -0.286 0.000) 3.476 13.759 ( -0.977 2.214 0.000) 2.420 13.788 ( -2.066 -0.592 0.000) 2.149 14.232 ( 4.071 6.420 0.000) 7.602 14.280 ( -0.453 6.062 0.000) 6.079 14.376 ( 3.904 -9.422 0.000) 10.199 14.415 ( 0.116 -8.739 0.000) 8.739 14.760 ( 4.208 9.059 0.000) 9.989 14.801 ( 0.489 13.128 0.000) 13.138 14.896 ( 7.335 -5.813 0.000) 9.359 15.016 ( -3.693 -9.995 0.000) 10.655 15.261 ( 0.675 2.401 0.000) 2.494 15.314 ( 0.659 -3.399 0.000) 3.462 15.315 ( -4.224 1.505 0.000) 4.484 15.350 ( -3.317 -2.214 0.000) 3.988 15.434 ( 0.050 2.494 0.000) 2.495 15.466 ( 0.496 -1.007 0.000) 1.122 15.494 ( -4.602 1.894 0.000) 4.976 15.524 ( -4.718 -1.260 0.000) 4.884 16.377 ( -0.075 1.427 0.000) 1.429 16.402 ( 0.450 -1.162 0.000) 1.246 16.409 ( -3.350 1.597 0.000) 3.711 16.438 ( -3.285 -1.410 0.000) 3.575 16.674 ( 0.848 2.908 0.000) 3.030 16.731 ( -2.158 -2.880 0.000) 3.599 16.742 ( -5.587 0.577 0.000) 5.617 16.754 ( -4.211 -0.627 0.000) 4.257 20.366 ( 7.236 0.874 0.000) 7.288 20.382 ( 7.430 -0.706 0.000) 7.463 20.489 ( -4.546 0.776 0.000) 4.612 20.504 ( -4.301 -0.802 0.000) 4.376 20.631 ( 5.747 2.350 0.000) 6.209 20.685 ( 3.075 -3.183 0.000) 4.426 20.743 ( -5.110 0.818 0.000) 5.175 20.759 ( -4.151 -0.865 0.000) 4.240 21.896 ( -0.226 6.542 0.000) 6.546 21.912 ( -1.611 2.975 0.000) 3.383 21.967 ( 0.788 -2.687 0.000) 2.801 22.011 ( -3.337 -5.107 0.000) 6.101 22.169 ( 0.867 0.953 0.000) 1.288 22.192 ( 0.853 -1.293 0.000) 1.549 22.235 ( -5.036 0.198 0.000) 5.040 22.250 ( -4.694 -0.992 0.000) 4.798 22.802 ( 3.916 0.171 0.000) 3.920 22.817 ( 4.478 -1.530 0.000) 4.732 22.864 ( -2.040 0.330 0.000) 2.066 22.888 ( -1.785 -2.229 0.000) 2.855 22.974 ( 6.407 3.034 0.000) 7.089 23.017 ( 6.282 -1.591 0.000) 6.480 23.079 ( -2.265 0.936 0.000) 2.451 23.085 ( 0.383 0.339 0.000) 0.511 23.527 ( 2.679 2.686 0.000) 3.794 23.555 ( 5.345 0.251 0.000) 5.351 23.607 ( -4.317 3.197 0.000) 5.371 23.676 ( -4.151 -4.206 0.000) 5.910 23.715 ( 0.281 -0.108 0.000) 0.301 23.738 ( 1.160 -2.083 0.000) 2.385 23.817 ( -9.445 3.095 0.000) 9.939 23.865 ( -9.140 -2.054 0.000) 9.368 24.559 ( 0.696 0.663 0.000) 0.962 24.573 ( 0.568 -0.781 0.000) 0.966 24.591 ( -2.084 0.638 0.000) 2.179 24.605 ( -2.302 -0.847 0.000) 2.453 24.950 ( 3.612 1.492 0.000) 3.908 24.979 ( 4.727 -1.514 0.000) 4.963 25.021 ( -3.279 3.166 0.000) 4.558 25.069 ( -3.046 -1.554 0.000) 3.419 25.150 ( 2.557 1.204 0.000) 2.827 25.205 ( -1.683 -5.146 0.000) 5.415 25.227 ( -4.673 0.106 0.000) 4.674 25.235 ( -3.635 -0.936 0.000) 3.754 25.423 ( 3.607 3.872 0.000) 5.292 25.487 ( 5.516 -2.896 0.000) 6.230 25.560 ( -9.393 6.766 0.000) 11.577 25.663 ( -11.090 -4.339 0.000) 11.909 ======================= Grid point 27 (11/40) ======================= q-point: ( 0.00 0.00 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.623 ( 0.000 0.000 35.613) 35.613 0.714 ( 0.000 0.000 38.420) 38.420 1.154 ( 0.000 0.000 60.697) 60.697 1.802 ( 0.000 0.000 13.228) 13.228 2.024 ( 0.000 0.000 10.531) 10.531 2.055 ( 0.000 0.000 8.788) 8.788 2.078 ( 0.000 0.000 17.858) 17.858 2.407 ( 0.000 0.000 -3.147) 3.147 2.892 ( 0.000 0.000 -4.631) 4.631 2.980 ( 0.000 0.000 2.442) 2.442 2.987 ( 0.000 0.000 0.584) 0.584 3.061 ( 0.000 0.000 -7.506) 7.506 3.118 ( 0.000 0.000 -9.320) 9.320 3.121 ( 0.000 0.000 -17.278) 17.278 3.215 ( 0.000 0.000 6.823) 6.823 3.337 ( 0.000 0.000 6.812) 6.812 3.338 ( 0.000 0.000 -3.197) 3.197 3.536 ( 0.000 0.000 2.663) 2.663 3.569 ( 0.000 0.000 7.086) 7.086 3.581 ( 0.000 0.000 -9.545) 9.545 4.027 ( 0.000 0.000 -15.457) 15.457 4.064 ( 0.000 0.000 -1.053) 1.053 4.240 ( 0.000 0.000 6.492) 6.492 4.307 ( 0.000 0.000 10.923) 10.923 4.497 ( 0.000 0.000 2.301) 2.301 4.661 ( 0.000 0.000 20.236) 20.236 4.690 ( 0.000 0.000 -2.845) 2.845 4.693 ( 0.000 0.000 13.005) 13.005 4.693 ( 0.000 0.000 3.015) 3.015 4.959 ( 0.000 0.000 22.147) 22.147 4.974 ( 0.000 0.000 -8.751) 8.751 5.149 ( 0.000 0.000 7.435) 7.435 5.219 ( 0.000 0.000 -6.370) 6.370 5.232 ( 0.000 0.000 8.432) 8.432 5.292 ( 0.000 0.000 5.762) 5.762 5.325 ( 0.000 0.000 -4.914) 4.914 5.344 ( 0.000 0.000 -2.924) 2.924 5.368 ( 0.000 0.000 -11.808) 11.808 5.436 ( 0.000 0.000 2.274) 2.274 5.535 ( 0.000 0.000 7.182) 7.182 5.550 ( 0.000 0.000 -9.222) 9.222 5.600 ( 0.000 0.000 -13.866) 13.866 5.686 ( 0.000 0.000 -14.592) 14.592 5.791 ( 0.000 0.000 5.658) 5.658 5.827 ( 0.000 0.000 -3.074) 3.074 5.933 ( 0.000 0.000 -0.218) 0.218 6.071 ( 0.000 0.000 1.854) 1.854 6.116 ( 0.000 0.000 -0.017) 0.017 6.121 ( 0.000 0.000 5.917) 5.917 6.264 ( 0.000 0.000 0.644) 0.644 6.285 ( 0.000 0.000 -5.095) 5.095 6.506 ( 0.000 0.000 2.508) 2.508 6.523 ( 0.000 0.000 -13.910) 13.910 6.525 ( 0.000 0.000 -20.972) 20.972 6.652 ( 0.000 0.000 8.558) 8.558 6.662 ( 0.000 0.000 -0.168) 0.168 6.757 ( 0.000 0.000 -1.759) 1.759 6.789 ( 0.000 0.000 -8.006) 8.006 6.812 ( 0.000 0.000 3.714) 3.714 6.814 ( 0.000 0.000 1.196) 1.196 6.921 ( 0.000 0.000 1.607) 1.607 7.000 ( 0.000 0.000 1.301) 1.301 7.048 ( 0.000 0.000 2.068) 2.068 7.086 ( 0.000 0.000 -5.066) 5.066 7.174 ( 0.000 0.000 0.193) 0.193 7.232 ( 0.000 0.000 -1.411) 1.411 7.280 ( 0.000 0.000 -3.800) 3.800 7.303 ( 0.000 0.000 -0.579) 0.579 7.424 ( 0.000 0.000 -1.253) 1.253 7.425 ( 0.000 0.000 -16.372) 16.372 7.482 ( 0.000 0.000 -11.352) 11.352 7.623 ( 0.000 0.000 -0.851) 0.851 7.640 ( 0.000 0.000 -2.971) 2.971 7.657 ( 0.000 0.000 -5.935) 5.935 7.732 ( 0.000 0.000 -11.575) 11.575 7.734 ( 0.000 0.000 -6.513) 6.513 7.820 ( 0.000 0.000 -2.691) 2.691 7.830 ( 0.000 0.000 -3.485) 3.485 7.869 ( 0.000 0.000 3.968) 3.968 7.911 ( 0.000 0.000 -11.623) 11.623 8.045 ( 0.000 0.000 -2.794) 2.794 8.085 ( 0.000 0.000 3.668) 3.668 8.180 ( 0.000 0.000 -11.533) 11.533 8.307 ( 0.000 0.000 3.387) 3.387 8.399 ( 0.000 0.000 -1.907) 1.907 8.467 ( 0.000 0.000 9.197) 9.197 8.500 ( 0.000 0.000 -3.432) 3.432 8.566 ( 0.000 0.000 -1.200) 1.200 8.665 ( 0.000 0.000 1.062) 1.062 8.765 ( 0.000 0.000 3.128) 3.128 8.785 ( 0.000 0.000 -1.274) 1.274 8.789 ( 0.000 0.000 -6.287) 6.287 8.960 ( 0.000 0.000 -5.076) 5.076 9.070 ( 0.000 0.000 3.200) 3.200 9.082 ( 0.000 0.000 0.016) 0.016 9.132 ( 0.000 0.000 -2.205) 2.205 9.136 ( 0.000 0.000 9.981) 9.981 9.157 ( 0.000 0.000 0.399) 0.399 9.413 ( 0.000 0.000 2.115) 2.115 9.452 ( 0.000 0.000 0.695) 0.695 9.466 ( 0.000 0.000 5.315) 5.315 9.506 ( 0.000 0.000 -6.115) 6.115 9.572 ( 0.000 0.000 -0.679) 0.679 9.621 ( 0.000 0.000 3.958) 3.958 9.635 ( 0.000 0.000 3.345) 3.345 9.791 ( 0.000 0.000 10.215) 10.215 9.869 ( 0.000 0.000 3.171) 3.171 9.924 ( 0.000 0.000 -6.049) 6.049 9.950 ( 0.000 0.000 13.189) 13.189 9.998 ( 0.000 0.000 13.237) 13.237 10.067 ( 0.000 0.000 6.958) 6.958 10.097 ( 0.000 0.000 3.708) 3.708 10.127 ( 0.000 0.000 4.221) 4.221 10.167 ( 0.000 0.000 -0.750) 0.750 10.310 ( 0.000 0.000 -3.350) 3.350 10.319 ( 0.000 0.000 -9.393) 9.393 10.524 ( 0.000 0.000 0.999) 0.999 10.548 ( 0.000 0.000 1.554) 1.554 10.549 ( 0.000 0.000 -0.988) 0.988 10.574 ( 0.000 0.000 7.280) 7.280 10.605 ( 0.000 0.000 -5.446) 5.446 10.611 ( 0.000 0.000 -5.581) 5.581 10.696 ( 0.000 0.000 -0.215) 0.215 10.837 ( 0.000 0.000 1.674) 1.674 10.949 ( 0.000 0.000 6.429) 6.429 10.954 ( 0.000 0.000 -6.760) 6.760 11.040 ( 0.000 0.000 -0.597) 0.597 11.081 ( 0.000 0.000 0.811) 0.811 11.167 ( 0.000 0.000 2.734) 2.734 11.209 ( 0.000 0.000 1.097) 1.097 11.407 ( 0.000 0.000 -3.884) 3.884 11.476 ( 0.000 0.000 9.116) 9.116 11.545 ( 0.000 0.000 -1.343) 1.343 11.575 ( 0.000 0.000 -7.785) 7.785 11.576 ( 0.000 0.000 2.203) 2.203 11.612 ( 0.000 0.000 -6.158) 6.158 11.772 ( 0.000 0.000 -0.121) 0.121 11.810 ( 0.000 0.000 1.846) 1.846 11.855 ( 0.000 0.000 3.416) 3.416 11.929 ( 0.000 0.000 -7.603) 7.603 12.007 ( 0.000 0.000 -10.755) 10.755 12.035 ( 0.000 0.000 1.454) 1.454 12.171 ( 0.000 0.000 0.149) 0.149 12.182 ( 0.000 0.000 0.489) 0.489 12.190 ( 0.000 0.000 -2.295) 2.295 12.297 ( 0.000 0.000 -4.641) 4.641 12.319 ( 0.000 0.000 -0.629) 0.629 12.490 ( 0.000 0.000 -2.207) 2.207 12.542 ( 0.000 0.000 8.954) 8.954 12.589 ( 0.000 0.000 8.487) 8.487 12.633 ( 0.000 0.000 14.274) 14.274 12.715 ( 0.000 0.000 3.843) 3.843 12.719 ( 0.000 0.000 1.180) 1.180 12.831 ( 0.000 0.000 4.900) 4.900 12.868 ( 0.000 0.000 -2.690) 2.690 12.930 ( 0.000 0.000 -3.748) 3.748 13.022 ( 0.000 0.000 -5.385) 5.385 13.127 ( 0.000 0.000 5.215) 5.215 13.185 ( 0.000 0.000 -0.233) 0.233 13.202 ( 0.000 0.000 2.913) 2.913 13.304 ( 0.000 0.000 1.285) 1.285 13.439 ( 0.000 0.000 -2.144) 2.144 13.450 ( 0.000 0.000 5.418) 5.418 13.487 ( 0.000 0.000 0.932) 0.932 13.675 ( 0.000 0.000 10.409) 10.409 13.826 ( 0.000 0.000 -0.743) 0.743 13.828 ( 0.000 0.000 2.860) 2.860 13.879 ( 0.000 0.000 -3.344) 3.344 13.921 ( 0.000 0.000 -2.451) 2.451 14.084 ( 0.000 0.000 -2.508) 2.508 14.113 ( 0.000 0.000 -2.010) 2.010 14.193 ( 0.000 0.000 11.491) 11.491 14.210 ( 0.000 0.000 7.818) 7.818 14.248 ( 0.000 0.000 3.322) 3.322 14.349 ( 0.000 0.000 -0.336) 0.336 15.090 ( 0.000 0.000 -5.726) 5.726 15.345 ( 0.000 0.000 -1.803) 1.803 15.420 ( 0.000 0.000 -6.460) 6.460 15.569 ( 0.000 0.000 -4.985) 4.985 15.676 ( 0.000 0.000 -1.923) 1.923 15.728 ( 0.000 0.000 5.092) 5.092 15.837 ( 0.000 0.000 1.971) 1.971 15.847 ( 0.000 0.000 -3.340) 3.340 15.874 ( 0.000 0.000 0.461) 0.461 16.386 ( 0.000 0.000 -0.308) 0.308 16.436 ( 0.000 0.000 -0.921) 0.921 16.445 ( 0.000 0.000 -0.449) 0.449 16.457 ( 0.000 0.000 -0.771) 0.771 16.864 ( 0.000 0.000 4.793) 4.793 17.044 ( 0.000 0.000 2.613) 2.613 17.204 ( 0.000 0.000 -1.502) 1.502 17.236 ( 0.000 0.000 -0.772) 0.772 19.820 ( 0.000 0.000 0.319) 0.319 19.820 ( 0.000 0.000 0.231) 0.231 19.849 ( 0.000 0.000 -0.361) 0.361 19.850 ( 0.000 0.000 -0.163) 0.163 20.645 ( 0.000 0.000 2.625) 2.625 20.933 ( 0.000 0.000 -2.345) 2.345 20.969 ( 0.000 0.000 1.295) 1.295 21.181 ( 0.000 0.000 -2.061) 2.061 21.784 ( 0.000 0.000 1.621) 1.621 21.993 ( 0.000 0.000 -1.562) 1.562 22.015 ( 0.000 0.000 0.968) 0.968 22.134 ( 0.000 0.000 1.144) 1.144 22.187 ( 0.000 0.000 2.231) 2.231 22.289 ( 0.000 0.000 -2.854) 2.854 22.315 ( 0.000 0.000 -1.667) 1.667 22.327 ( 0.000 0.000 -2.351) 2.351 22.411 ( 0.000 0.000 1.394) 1.394 22.551 ( 0.000 0.000 -1.334) 1.334 22.596 ( 0.000 0.000 -0.458) 0.458 22.651 ( 0.000 0.000 1.056) 1.056 22.663 ( 0.000 0.000 1.824) 1.824 22.694 ( 0.000 0.000 -1.881) 1.881 22.883 ( 0.000 0.000 3.738) 3.738 23.388 ( 0.000 0.000 -0.299) 0.299 23.560 ( 0.000 0.000 -17.709) 17.709 23.578 ( 0.000 0.000 2.039) 2.039 24.020 ( 0.000 0.000 -6.202) 6.202 24.078 ( 0.000 0.000 -8.793) 8.793 24.106 ( 0.000 0.000 3.789) 3.789 24.161 ( 0.000 0.000 7.730) 7.730 24.163 ( 0.000 0.000 -10.009) 10.009 24.201 ( 0.000 0.000 2.273) 2.273 24.656 ( 0.000 0.000 3.346) 3.346 24.683 ( 0.000 0.000 -0.688) 0.688 24.710 ( 0.000 0.000 0.381) 0.381 24.738 ( 0.000 0.000 -0.752) 0.752 24.982 ( 0.000 0.000 -3.689) 3.689 24.997 ( 0.000 0.000 13.654) 13.654 25.021 ( 0.000 0.000 3.927) 3.927 25.063 ( 0.000 0.000 -5.627) 5.627 25.578 ( 0.000 0.000 5.104) 5.104 25.625 ( 0.000 0.000 3.749) 3.749 25.677 ( 0.000 0.000 -1.664) 1.664 25.703 ( 0.000 0.000 0.315) 0.315 26.004 ( 0.000 0.000 -0.767) 0.767 26.280 ( 0.000 0.000 0.292) 0.292 26.322 ( 0.000 0.000 -4.268) 4.268 26.504 ( 0.000 0.000 -2.522) 2.522 ======================= Grid point 28 (12/40) ======================= q-point: ( 0.11 0.00 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.854 ( 13.625 0.000 31.345) 34.179 1.115 ( 28.930 0.000 29.082) 41.020 1.491 ( 32.172 0.000 38.957) 50.524 1.871 ( 6.297 0.000 4.576) 7.784 1.956 ( 0.450 0.000 7.625) 7.638 2.166 ( 10.910 0.000 13.358) 17.247 2.181 ( 8.093 0.000 17.859) 19.607 2.692 ( 23.110 0.000 -2.567) 23.252 2.904 ( 1.354 0.000 -7.540) 7.661 3.061 ( 13.530 0.000 -6.264) 14.909 3.093 ( 7.808 0.000 -0.575) 7.829 3.116 ( 2.632 0.000 -7.700) 8.137 3.265 ( 20.341 0.000 -2.134) 20.453 3.305 ( 10.265 0.000 7.212) 12.545 3.414 ( 7.737 0.000 4.125) 8.769 3.427 ( 17.466 0.000 -11.419) 20.867 3.512 ( 10.720 0.000 -0.651) 10.740 3.661 ( 10.638 0.000 -19.444) 22.164 3.674 ( 12.546 0.000 6.843) 14.291 3.851 ( 19.454 0.000 1.345) 19.501 4.097 ( 8.491 0.000 -7.155) 11.104 4.116 ( 2.558 0.000 -2.125) 3.325 4.348 ( 1.366 0.000 7.430) 7.554 4.356 ( 12.699 0.000 -0.828) 12.726 4.482 ( -0.274 0.000 11.897) 11.900 4.611 ( -0.520 0.000 14.605) 14.614 4.646 ( 3.655 0.000 8.737) 9.470 4.761 ( -2.491 0.000 -1.674) 3.001 4.769 ( 3.617 0.000 4.305) 5.623 4.934 ( -2.594 0.000 20.532) 20.695 4.961 ( -3.359 0.000 -6.217) 7.066 5.103 ( -7.707 0.000 3.576) 8.496 5.128 ( -3.335 0.000 0.733) 3.414 5.219 ( -2.533 0.000 1.646) 3.020 5.242 ( -9.050 0.000 1.703) 9.209 5.280 ( -2.516 0.000 1.750) 3.064 5.309 ( -6.976 0.000 -4.400) 8.248 5.341 ( -5.805 0.000 -1.431) 5.979 5.376 ( -0.493 0.000 -0.379) 0.621 5.433 ( -7.560 0.000 3.381) 8.281 5.492 ( -0.950 0.000 -7.851) 7.908 5.532 ( -2.374 0.000 -4.625) 5.199 5.748 ( -3.809 0.000 -3.671) 5.290 5.816 ( 2.640 0.000 -10.339) 10.671 5.818 ( 0.025 0.000 1.034) 1.035 5.896 ( -5.338 0.000 2.867) 6.059 5.946 ( 1.430 0.000 4.979) 5.180 6.032 ( -4.313 0.000 3.339) 5.454 6.225 ( 3.939 0.000 -6.289) 7.421 6.234 ( -4.175 0.000 3.057) 5.174 6.346 ( -9.095 0.000 -0.106) 9.096 6.351 ( 7.066 0.000 -12.011) 13.936 6.519 ( -1.569 0.000 -5.694) 5.906 6.519 ( -3.340 0.000 -7.479) 8.191 6.685 ( 1.010 0.000 3.421) 3.567 6.688 ( -3.165 0.000 -5.328) 6.197 6.698 ( 2.242 0.000 0.650) 2.334 6.776 ( -3.416 0.000 0.586) 3.466 6.812 ( 3.324 0.000 2.324) 4.056 6.843 ( 1.369 0.000 -7.040) 7.172 6.946 ( -5.369 0.000 4.514) 7.014 6.959 ( 1.740 0.000 -1.822) 2.519 7.030 ( -2.487 0.000 -1.023) 2.690 7.088 ( -3.487 0.000 -2.709) 4.416 7.145 ( -1.580 0.000 1.622) 2.264 7.215 ( 4.126 0.000 -8.424) 9.380 7.250 ( -3.106 0.000 -3.558) 4.723 7.305 ( 1.639 0.000 -3.377) 3.754 7.403 ( -4.329 0.000 -0.554) 4.364 7.454 ( 1.271 0.000 -10.356) 10.434 7.468 ( -5.975 0.000 4.047) 7.216 7.519 ( 0.577 0.000 -4.465) 4.502 7.532 ( -1.687 0.000 -4.059) 4.396 7.612 ( -11.367 0.000 -0.786) 11.394 7.730 ( -1.927 0.000 -12.715) 12.861 7.742 ( -7.701 0.000 0.311) 7.707 7.785 ( 3.252 0.000 -1.168) 3.455 7.825 ( 1.398 0.000 -9.956) 10.054 7.862 ( 4.313 0.000 -0.897) 4.405 7.918 ( 1.255 0.000 -8.431) 8.524 8.047 ( 14.441 0.000 -7.648) 16.342 8.166 ( 1.032 0.000 -4.339) 4.460 8.186 ( -0.042 0.000 -3.648) 3.648 8.337 ( -2.219 0.000 4.076) 4.641 8.478 ( -2.571 0.000 -2.091) 3.314 8.485 ( 2.894 0.000 6.599) 7.206 8.541 ( 8.954 0.000 -4.621) 10.076 8.569 ( 0.389 0.000 -2.134) 2.169 8.669 ( 1.068 0.000 3.398) 3.562 8.743 ( -2.072 0.000 -6.396) 6.723 8.779 ( -1.132 0.000 0.357) 1.187 8.813 ( 1.483 0.000 8.765) 8.890 8.989 ( 0.848 0.000 -2.836) 2.960 9.060 ( 0.219 0.000 -1.887) 1.900 9.122 ( 2.760 0.000 2.433) 3.679 9.141 ( 1.855 0.000 4.980) 5.314 9.186 ( 5.042 0.000 1.814) 5.358 9.291 ( 5.735 0.000 -2.075) 6.099 9.366 ( -0.824 0.000 3.985) 4.070 9.450 ( -2.601 0.000 3.796) 4.602 9.453 ( 6.625 0.000 0.057) 6.625 9.490 ( -5.428 0.000 -0.507) 5.452 9.567 ( 1.719 0.000 -2.907) 3.377 9.611 ( 0.248 0.000 1.525) 1.545 9.654 ( 2.004 0.000 1.249) 2.362 9.784 ( -0.694 0.000 2.168) 2.276 9.871 ( -3.110 0.000 10.607) 11.053 9.873 ( -4.649 0.000 -2.454) 5.257 9.938 ( 1.142 0.000 4.582) 4.722 10.024 ( 1.170 0.000 9.526) 9.597 10.058 ( -1.820 0.000 5.413) 5.711 10.096 ( -1.248 0.000 -0.889) 1.533 10.167 ( -0.496 0.000 3.852) 3.884 10.256 ( 7.053 0.000 4.223) 8.220 10.335 ( 3.920 0.000 -6.371) 7.480 10.361 ( 2.865 0.000 -0.903) 3.004 10.392 ( -0.820 0.000 2.431) 2.566 10.541 ( 2.759 0.000 -2.249) 3.559 10.548 ( -1.140 0.000 -2.862) 3.080 10.644 ( 6.901 0.000 0.797) 6.947 10.668 ( 2.191 0.000 -0.399) 2.227 10.694 ( 7.468 0.000 1.144) 7.556 10.708 ( 4.567 0.000 -3.859) 5.979 10.851 ( -0.078 0.000 -0.882) 0.885 10.976 ( 2.263 0.000 0.012) 2.263 10.996 ( 4.022 0.000 0.244) 4.030 11.006 ( -1.902 0.000 0.440) 1.952 11.090 ( 1.698 0.000 2.718) 3.204 11.207 ( -0.130 0.000 1.273) 1.279 11.250 ( 5.529 0.000 -0.985) 5.616 11.394 ( -1.501 0.000 -0.817) 1.709 11.429 ( -1.111 0.000 4.800) 4.927 11.518 ( -4.192 0.000 -4.531) 6.173 11.537 ( 0.418 0.000 -0.832) 0.931 11.554 ( -2.310 0.000 -4.049) 4.662 11.674 ( 1.990 0.000 2.629) 3.298 11.724 ( -5.481 0.000 1.263) 5.625 11.770 ( -0.624 0.000 0.423) 0.754 11.885 ( -3.742 0.000 -1.932) 4.211 11.960 ( -3.614 0.000 -1.761) 4.020 11.982 ( 1.322 0.000 0.879) 1.587 12.032 ( 1.809 0.000 -2.348) 2.964 12.139 ( -4.107 0.000 0.356) 4.122 12.148 ( -11.353 0.000 7.013) 13.345 12.210 ( -0.108 0.000 -2.228) 2.231 12.256 ( -3.147 0.000 -1.835) 3.643 12.351 ( 0.333 0.000 3.203) 3.221 12.419 ( -8.706 0.000 14.348) 16.783 12.449 ( 0.593 0.000 3.027) 3.085 12.496 ( -6.147 0.000 10.016) 11.752 12.615 ( 1.662 0.000 9.771) 9.911 12.667 ( -3.631 0.000 1.163) 3.813 12.704 ( 1.092 0.000 -0.931) 1.435 12.837 ( -7.165 0.000 -4.453) 8.436 12.898 ( -10.180 0.000 -0.065) 10.180 12.902 ( 3.432 0.000 3.205) 4.696 12.933 ( 4.828 0.000 -2.773) 5.568 13.087 ( -3.316 0.000 6.825) 7.588 13.132 ( -3.310 0.000 -2.912) 4.409 13.201 ( -0.961 0.000 1.673) 1.929 13.240 ( -2.476 0.000 -1.848) 3.090 13.410 ( -1.296 0.000 4.869) 5.038 13.518 ( 4.999 0.000 -2.878) 5.768 13.541 ( 1.645 0.000 0.292) 1.670 13.660 ( -9.198 0.000 6.601) 11.322 13.708 ( 1.189 0.000 6.317) 6.428 13.794 ( -0.232 0.000 -1.130) 1.154 13.902 ( -0.710 0.000 -1.653) 1.799 13.962 ( 4.685 0.000 1.034) 4.798 14.086 ( 9.152 0.000 3.372) 9.754 14.100 ( -3.577 0.000 4.520) 5.764 14.186 ( 3.333 0.000 3.821) 5.071 14.261 ( 3.905 0.000 5.301) 6.584 14.291 ( 5.186 0.000 -0.858) 5.257 14.404 ( 5.998 0.000 -2.744) 6.596 15.235 ( 0.702 0.000 -10.590) 10.613 15.307 ( -2.703 0.000 -1.120) 2.926 15.386 ( -3.003 0.000 -6.080) 6.781 15.569 ( -0.571 0.000 -4.417) 4.454 15.642 ( -3.296 0.000 -1.974) 3.842 15.689 ( -3.524 0.000 4.687) 5.864 15.798 ( -3.447 0.000 1.388) 3.716 15.845 ( -2.754 0.000 0.291) 2.770 15.848 ( -4.520 0.000 -4.325) 6.256 16.406 ( 1.267 0.000 -0.785) 1.490 16.439 ( -0.253 0.000 -0.306) 0.397 16.502 ( 3.752 0.000 -2.081) 4.290 16.645 ( 4.629 0.000 -8.115) 9.342 16.824 ( -3.750 0.000 4.597) 5.932 17.076 ( -0.202 0.000 -6.030) 6.034 17.162 ( -3.997 0.000 -1.858) 4.408 17.188 ( -4.604 0.000 -0.870) 4.686 19.881 ( 5.231 0.000 0.348) 5.243 19.902 ( 4.909 0.000 0.030) 4.909 19.954 ( 9.636 0.000 -1.028) 9.691 20.169 ( 17.588 0.000 -17.233) 24.624 20.641 ( -0.422 0.000 2.712) 2.745 20.905 ( -3.471 0.000 -0.239) 3.480 20.953 ( -1.500 0.000 0.966) 1.784 20.998 ( -7.391 0.000 6.852) 10.079 21.793 ( 0.746 0.000 1.749) 1.901 22.038 ( 2.795 0.000 -2.503) 3.753 22.089 ( -3.311 0.000 1.474) 3.624 22.103 ( -0.557 0.000 -0.188) 0.588 22.289 ( 3.280 0.000 -3.053) 4.481 22.327 ( 2.802 0.000 -3.490) 4.476 22.380 ( 5.585 0.000 -2.751) 6.226 22.389 ( 3.161 0.000 -3.504) 4.720 22.448 ( 0.733 0.000 0.481) 0.877 22.541 ( 0.198 0.000 3.140) 3.146 22.584 ( -0.212 0.000 0.348) 0.408 22.702 ( 2.325 0.000 -2.734) 3.589 22.710 ( 3.370 0.000 -0.242) 3.378 22.809 ( 12.117 0.000 -18.827) 22.389 22.863 ( -1.794 0.000 3.218) 3.684 23.348 ( -4.000 0.000 -5.668) 6.937 23.460 ( -4.664 0.000 -4.784) 6.681 23.630 ( 1.156 0.000 -6.916) 7.011 23.901 ( -10.064 0.000 -9.368) 13.749 24.054 ( -4.798 0.000 5.526) 7.318 24.065 ( -3.264 0.000 -11.416) 11.874 24.130 ( -2.973 0.000 8.527) 9.030 24.132 ( -1.490 0.000 -1.244) 1.941 24.194 ( -0.945 0.000 1.981) 2.195 24.651 ( -0.656 0.000 1.069) 1.254 24.691 ( 0.750 0.000 1.445) 1.628 24.717 ( -0.762 0.000 0.612) 0.977 24.741 ( 1.127 0.000 -0.890) 1.436 24.921 ( -3.372 0.000 6.847) 7.632 24.996 ( -3.037 0.000 2.753) 4.099 25.033 ( 1.091 0.000 2.349) 2.590 25.062 ( 0.082 0.000 -2.804) 2.805 25.386 ( -16.618 0.000 13.564) 21.451 25.580 ( -4.207 0.000 2.886) 5.101 25.616 ( -5.462 0.000 -2.658) 6.074 25.643 ( -5.402 0.000 -0.178) 5.405 25.733 ( -11.195 0.000 14.832) 18.583 26.070 ( -13.070 0.000 0.257) 13.073 26.183 ( -11.400 0.000 -2.264) 11.622 26.437 ( -6.916 0.000 -3.241) 7.638 ======================= Grid point 29 (13/40) ======================= q-point: ( 0.22 0.00 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.250 ( 23.313 0.000 19.791) 30.581 1.663 ( 25.996 0.000 24.901) 35.998 1.921 ( 12.137 0.000 7.200) 14.112 2.060 ( 11.703 0.000 -5.244) 12.824 2.398 ( 15.288 0.000 12.885) 19.993 2.468 ( 16.623 0.000 15.801) 22.935 2.540 ( 44.018 0.000 11.960) 45.614 3.031 ( 9.564 0.000 -1.083) 9.625 3.146 ( 17.274 0.000 -6.256) 18.372 3.192 ( 5.217 0.000 0.611) 5.252 3.285 ( 10.235 0.000 -8.179) 13.101 3.361 ( 15.608 0.000 -7.675) 17.393 3.553 ( 5.217 0.000 4.609) 6.961 3.713 ( 17.777 0.000 5.532) 18.618 3.719 ( 18.965 0.000 -3.564) 19.297 3.789 ( 19.022 0.000 -4.173) 19.474 3.810 ( 11.367 0.000 -23.528) 26.130 3.827 ( 12.561 0.000 -7.359) 14.558 3.953 ( 13.358 0.000 2.944) 13.679 4.131 ( 0.216 0.000 0.216) 0.305 4.320 ( 10.412 0.000 0.114) 10.412 4.376 ( 22.371 0.000 -5.125) 22.950 4.424 ( 6.371 0.000 2.344) 6.788 4.450 ( -10.682 0.000 0.234) 10.685 4.511 ( 9.733 0.000 13.108) 16.327 4.625 ( -3.188 0.000 6.664) 7.387 4.714 ( -9.247 0.000 5.344) 10.680 4.755 ( 10.753 0.000 0.322) 10.758 4.759 ( -9.759 0.000 3.763) 10.459 4.853 ( -5.034 0.000 10.417) 11.570 4.898 ( -1.367 0.000 3.888) 4.121 4.943 ( -18.677 0.000 2.687) 18.869 4.966 ( 4.855 0.000 0.537) 4.885 5.017 ( -1.893 0.000 0.739) 2.032 5.081 ( 1.952 0.000 -2.379) 3.078 5.133 ( -8.367 0.000 2.358) 8.693 5.176 ( -9.439 0.000 2.542) 9.775 5.321 ( 0.762 0.000 5.231) 5.286 5.333 ( -4.545 0.000 3.244) 5.584 5.391 ( 1.924 0.000 2.164) 2.896 5.471 ( -2.106 0.000 -3.556) 4.132 5.485 ( -0.356 0.000 2.091) 2.121 5.638 ( -5.375 0.000 -7.445) 9.182 5.783 ( -3.855 0.000 7.374) 8.320 5.810 ( 0.010 0.000 2.025) 2.025 5.822 ( -0.291 0.000 -3.005) 3.019 5.999 ( -0.394 0.000 5.523) 5.537 6.085 ( 2.540 0.000 -10.881) 11.174 6.097 ( -8.891 0.000 3.193) 9.447 6.230 ( 0.125 0.000 6.370) 6.371 6.238 ( -0.639 0.000 -2.934) 3.002 6.377 ( -1.898 0.000 -6.672) 6.937 6.484 ( -0.248 0.000 2.302) 2.315 6.535 ( 2.191 0.000 -2.604) 3.403 6.624 ( -7.674 0.000 -1.969) 7.922 6.638 ( -2.962 0.000 -9.811) 10.249 6.666 ( -10.481 0.000 -1.516) 10.590 6.687 ( 1.636 0.000 -0.961) 1.898 6.840 ( -11.387 0.000 8.026) 13.931 6.855 ( -1.287 0.000 4.430) 4.614 6.906 ( 3.707 0.000 3.719) 5.251 6.924 ( 2.539 0.000 -7.538) 7.954 7.036 ( 1.849 0.000 -5.166) 5.487 7.077 ( -2.493 0.000 -9.970) 10.277 7.135 ( 2.635 0.000 -5.523) 6.120 7.225 ( 13.596 0.000 -5.362) 14.615 7.298 ( 2.711 0.000 -2.306) 3.559 7.356 ( 2.256 0.000 -2.568) 3.419 7.386 ( 2.710 0.000 0.115) 2.713 7.442 ( 1.034 0.000 -1.928) 2.187 7.463 ( 3.655 0.000 -10.222) 10.856 7.486 ( 0.249 0.000 0.960) 0.991 7.553 ( -5.519 0.000 6.113) 8.236 7.595 ( 3.448 0.000 -4.522) 5.686 7.602 ( 4.825 0.000 -6.854) 8.382 7.689 ( -1.039 0.000 -5.396) 5.496 7.874 ( 2.357 0.000 -10.506) 10.767 7.901 ( 5.637 0.000 -1.694) 5.886 7.939 ( 0.277 0.000 -10.656) 10.660 7.966 ( 0.145 0.000 -1.743) 1.749 8.075 ( -1.733 0.000 -7.299) 7.502 8.157 ( -1.898 0.000 1.276) 2.287 8.284 ( -2.970 0.000 1.637) 3.391 8.315 ( 0.930 0.000 -4.976) 5.063 8.443 ( 3.030 0.000 -2.090) 3.681 8.505 ( -2.483 0.000 3.266) 4.103 8.558 ( 3.317 0.000 5.353) 6.297 8.650 ( -2.594 0.000 -2.363) 3.510 8.679 ( -0.696 0.000 -9.026) 9.053 8.700 ( 2.547 0.000 6.494) 6.976 8.839 ( 3.919 0.000 5.241) 6.544 8.884 ( 9.264 0.000 -4.420) 10.264 8.999 ( 1.321 0.000 -2.865) 3.155 9.086 ( 2.963 0.000 -2.456) 3.849 9.106 ( -1.706 0.000 -3.810) 4.175 9.181 ( 1.830 0.000 3.514) 3.962 9.296 ( 2.941 0.000 6.110) 6.781 9.338 ( -2.389 0.000 2.633) 3.555 9.382 ( -0.589 0.000 3.436) 3.486 9.386 ( -3.391 0.000 -3.607) 4.951 9.493 ( -5.024 0.000 5.959) 7.794 9.501 ( 10.803 0.000 -1.040) 10.853 9.546 ( 0.132 0.000 3.581) 3.583 9.661 ( -2.586 0.000 0.486) 2.631 9.668 ( -8.875 0.000 -1.823) 9.060 9.772 ( -2.279 0.000 4.395) 4.951 9.819 ( -2.929 0.000 4.837) 5.654 9.868 ( 14.390 0.000 -5.026) 15.243 9.877 ( -3.130 0.000 2.645) 4.098 10.033 ( -1.236 0.000 6.976) 7.085 10.044 ( -2.652 0.000 0.181) 2.658 10.082 ( -5.225 0.000 8.342) 9.843 10.108 ( 8.717 0.000 -2.670) 9.116 10.257 ( -3.112 0.000 -2.344) 3.896 10.465 ( 11.476 0.000 8.119) 14.058 10.480 ( 6.813 0.000 -3.207) 7.530 10.598 ( 5.353 0.000 -1.699) 5.617 10.629 ( 11.696 0.000 -3.477) 12.202 10.676 ( 9.806 0.000 -5.763) 11.374 10.742 ( -0.350 0.000 -0.302) 0.462 10.790 ( 7.149 0.000 -1.199) 7.249 10.822 ( 5.520 0.000 -3.382) 6.473 10.862 ( 5.959 0.000 -0.475) 5.977 10.891 ( 11.474 0.000 -0.924) 11.511 10.999 ( 1.770 0.000 1.465) 2.298 11.029 ( 2.182 0.000 2.627) 3.415 11.099 ( 5.474 0.000 -2.794) 6.146 11.133 ( 1.414 0.000 3.799) 4.054 11.201 ( -0.533 0.000 -0.995) 1.129 11.279 ( -5.900 0.000 0.991) 5.982 11.345 ( 1.866 0.000 -4.530) 4.899 11.452 ( -2.454 0.000 -5.724) 6.228 11.483 ( 2.202 0.000 -0.200) 2.211 11.527 ( -0.598 0.000 0.104) 0.607 11.535 ( -1.370 0.000 1.669) 2.159 11.560 ( -11.914 0.000 2.728) 12.222 11.661 ( -2.096 0.000 1.600) 2.637 11.678 ( -15.185 0.000 2.449) 15.381 11.725 ( -7.160 0.000 0.255) 7.165 11.814 ( -14.355 0.000 -0.651) 14.370 11.869 ( -11.225 0.000 10.453) 15.338 11.879 ( -4.672 0.000 4.916) 6.781 12.046 ( -1.680 0.000 -1.146) 2.034 12.070 ( -5.786 0.000 2.788) 6.423 12.089 ( -11.579 0.000 9.402) 14.915 12.133 ( 1.260 0.000 -1.071) 1.653 12.237 ( -5.866 0.000 13.778) 14.974 12.271 ( -12.768 0.000 3.488) 13.236 12.344 ( -4.092 0.000 3.736) 5.541 12.466 ( -4.028 0.000 -0.249) 4.035 12.592 ( -3.047 0.000 1.903) 3.592 12.627 ( -7.884 0.000 0.819) 7.926 12.661 ( -6.979 0.000 2.098) 7.288 12.681 ( -0.960 0.000 6.979) 7.045 12.816 ( 4.666 0.000 0.048) 4.667 12.900 ( -6.242 0.000 6.166) 8.774 13.033 ( 3.918 0.000 -1.132) 4.078 13.062 ( -2.247 0.000 -4.374) 4.917 13.145 ( 11.125 0.000 -2.089) 11.319 13.179 ( -4.491 0.000 -0.178) 4.495 13.194 ( 0.946 0.000 1.479) 1.756 13.376 ( -3.561 0.000 4.090) 5.423 13.542 ( 2.389 0.000 -0.048) 2.390 13.586 ( 0.821 0.000 -3.720) 3.810 13.658 ( 3.355 0.000 0.716) 3.431 13.687 ( -2.389 0.000 0.407) 2.423 13.819 ( -0.416 0.000 2.335) 2.371 13.870 ( -1.838 0.000 -1.799) 2.572 13.991 ( 0.520 0.000 5.679) 5.702 14.114 ( 5.945 0.000 0.675) 5.983 14.275 ( 4.864 0.000 1.965) 5.247 14.295 ( 9.348 0.000 -1.805) 9.521 14.375 ( 6.187 0.000 0.765) 6.234 14.412 ( 6.018 0.000 -0.936) 6.091 14.553 ( 7.747 0.000 -3.692) 8.581 15.197 ( -2.947 0.000 -7.897) 8.429 15.268 ( -0.602 0.000 -0.391) 0.718 15.308 ( -4.042 0.000 -4.446) 6.008 15.536 ( -2.513 0.000 -2.952) 3.877 15.546 ( -5.631 0.000 -1.901) 5.944 15.592 ( -5.543 0.000 3.873) 6.762 15.705 ( -5.308 0.000 0.605) 5.342 15.706 ( -8.088 0.000 -0.461) 8.101 15.763 ( -4.964 0.000 -0.232) 4.970 16.413 ( -0.777 0.000 -1.125) 1.367 16.428 ( -0.683 0.000 0.048) 0.684 16.566 ( 1.772 0.000 -3.079) 3.552 16.629 ( -3.912 0.000 -0.483) 3.942 16.719 ( -6.012 0.000 3.928) 7.181 16.993 ( -6.815 0.000 -5.675) 8.868 17.040 ( -7.585 0.000 -2.650) 8.034 17.055 ( -7.893 0.000 -1.164) 7.978 20.024 ( 8.150 0.000 0.952) 8.205 20.040 ( 7.995 0.000 0.412) 8.006 20.191 ( 11.862 0.000 -2.594) 12.142 20.413 ( 7.479 0.000 -11.696) 13.883 20.625 ( -1.203 0.000 2.868) 3.110 20.804 ( -4.808 0.000 4.019) 6.267 20.907 ( -2.993 0.000 0.198) 2.999 20.916 ( -2.831 0.000 0.642) 2.903 21.808 ( 0.579 0.000 1.844) 1.933 22.020 ( -3.172 0.000 1.509) 3.513 22.021 ( -2.386 0.000 -0.995) 2.585 22.150 ( 2.440 0.000 -0.786) 2.564 22.267 ( -3.259 0.000 -1.748) 3.698 22.303 ( -5.566 0.000 -2.524) 6.111 22.401 ( -2.418 0.000 -3.236) 4.040 22.435 ( 0.596 0.000 -1.300) 1.431 22.540 ( 8.379 0.000 -1.461) 8.505 22.613 ( 4.389 0.000 4.292) 6.139 22.666 ( 8.904 0.000 2.904) 9.365 22.754 ( 2.673 0.000 0.433) 2.707 22.788 ( 4.603 0.000 -0.056) 4.603 22.832 ( 0.074 0.000 1.425) 1.426 22.930 ( -0.306 0.000 -14.512) 14.516 23.250 ( -4.727 0.000 -12.703) 13.554 23.394 ( -1.728 0.000 -2.015) 2.654 23.628 ( -0.992 0.000 -6.740) 6.813 23.658 ( -11.841 0.000 -7.334) 13.928 23.930 ( -6.546 0.000 7.605) 10.034 23.936 ( -8.057 0.000 -9.752) 12.649 24.040 ( -5.631 0.000 8.913) 10.543 24.112 ( -1.494 0.000 0.646) 1.627 24.147 ( -4.054 0.000 2.027) 4.532 24.629 ( -1.451 0.000 0.505) 1.536 24.684 ( -2.190 0.000 1.784) 2.824 24.700 ( -0.505 0.000 3.134) 3.175 24.749 ( -1.539 0.000 0.227) 1.556 24.865 ( -1.339 0.000 6.168) 6.311 24.902 ( -3.586 0.000 4.333) 5.624 25.038 ( -0.490 0.000 -0.397) 0.630 25.070 ( 0.747 0.000 -0.272) 0.795 25.161 ( -4.845 0.000 4.584) 6.670 25.463 ( -6.631 0.000 0.630) 6.661 25.485 ( -6.064 0.000 -4.222) 7.389 25.504 ( -7.161 0.000 -1.442) 7.305 25.566 ( -7.209 0.000 9.718) 12.100 25.776 ( -14.367 0.000 0.795) 14.389 25.922 ( -12.728 0.000 0.093) 12.728 26.227 ( -12.536 0.000 -3.307) 12.965 ======================= Grid point 30 (14/40) ======================= q-point: ( 0.33 0.00 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.778 ( 26.971 0.000 12.553) 29.749 2.156 ( 19.692 0.000 1.000) 19.717 2.304 ( 25.622 0.000 15.190) 29.786 2.340 ( 15.098 0.000 -8.264) 17.212 2.693 ( 13.262 0.000 8.827) 15.931 2.799 ( 13.734 0.000 13.718) 19.412 3.198 ( 8.299 0.000 -0.368) 8.308 3.321 ( 6.177 0.000 0.711) 6.218 3.361 ( 24.145 0.000 -7.244) 25.208 3.412 ( 4.818 0.000 -8.690) 9.936 3.497 ( -2.856 0.000 -4.815) 5.599 3.570 ( 15.150 0.000 1.938) 15.273 3.684 ( 6.735 0.000 -0.131) 6.736 3.834 ( -6.915 0.000 -10.694) 12.735 3.858 ( 1.539 0.000 -9.829) 9.949 3.957 ( -2.880 0.000 -8.638) 9.106 4.021 ( 10.647 0.000 0.274) 10.650 4.084 ( -1.522 0.000 -3.740) 4.038 4.098 ( -0.403 0.000 7.643) 7.654 4.202 ( -4.505 0.000 1.409) 4.720 4.230 ( 8.015 0.000 -0.015) 8.015 4.270 ( -7.796 0.000 4.892) 9.204 4.482 ( -0.512 0.000 3.839) 3.873 4.553 ( 0.760 0.000 5.555) 5.607 4.586 ( -1.332 0.000 -3.871) 4.093 4.640 ( -8.883 0.000 2.972) 9.367 4.692 ( 0.204 0.000 -0.928) 0.950 4.750 ( -7.111 0.000 4.874) 8.621 4.769 ( 7.414 0.000 0.163) 7.415 4.839 ( 1.327 0.000 10.454) 10.538 4.877 ( 13.247 0.000 -6.575) 14.789 4.897 ( 17.987 0.000 2.374) 18.143 4.931 ( -6.783 0.000 4.767) 8.290 5.058 ( 0.240 0.000 1.478) 1.498 5.127 ( 3.606 0.000 1.646) 3.964 5.177 ( -3.011 0.000 5.265) 6.065 5.259 ( 27.527 0.000 2.638) 27.654 5.286 ( -0.574 0.000 6.516) 6.541 5.314 ( 0.218 0.000 0.278) 0.353 5.318 ( -5.994 0.000 -5.692) 8.266 5.527 ( 1.084 0.000 -3.822) 3.973 5.562 ( 9.665 0.000 7.551) 12.265 5.614 ( 7.442 0.000 -8.423) 11.240 5.698 ( -5.429 0.000 6.779) 8.685 5.819 ( 0.716 0.000 -2.113) 2.231 5.894 ( 4.986 0.000 6.474) 8.171 5.910 ( -4.586 0.000 6.159) 7.679 6.040 ( 5.316 0.000 9.177) 10.605 6.081 ( -1.865 0.000 -0.458) 1.921 6.141 ( -2.100 0.000 1.028) 2.338 6.221 ( -3.206 0.000 -4.116) 5.218 6.363 ( -9.490 0.000 -3.968) 10.287 6.373 ( -9.377 0.000 2.074) 9.603 6.435 ( -1.721 0.000 1.707) 2.424 6.470 ( -7.878 0.000 7.284) 10.730 6.559 ( 2.353 0.000 -0.459) 2.398 6.576 ( -0.828 0.000 -3.500) 3.597 6.727 ( 1.306 0.000 -0.034) 1.307 6.814 ( -1.402 0.000 3.644) 3.905 6.816 ( -9.606 0.000 -3.268) 10.146 6.886 ( -1.888 0.000 0.210) 1.899 6.991 ( 13.491 0.000 -1.987) 13.636 7.084 ( 0.530 0.000 -13.114) 13.125 7.122 ( 6.814 0.000 4.779) 8.322 7.210 ( -2.137 0.000 -10.820) 11.029 7.292 ( -1.724 0.000 -3.288) 3.712 7.349 ( -4.329 0.000 -8.130) 9.210 7.392 ( -2.194 0.000 -9.276) 9.532 7.442 ( -0.206 0.000 -3.947) 3.953 7.443 ( 4.493 0.000 2.140) 4.977 7.480 ( -3.415 0.000 -1.080) 3.581 7.560 ( 4.340 0.000 -7.656) 8.800 7.606 ( 6.463 0.000 -10.331) 12.186 7.678 ( 2.277 0.000 -3.222) 3.945 7.713 ( 5.030 0.000 -3.759) 6.280 7.719 ( 4.323 0.000 4.548) 6.275 7.842 ( -5.499 0.000 -0.227) 5.503 7.846 ( -2.484 0.000 -4.243) 4.917 7.929 ( 0.372 0.000 -4.530) 4.545 7.985 ( 3.733 0.000 -5.228) 6.423 8.130 ( -1.663 0.000 6.362) 6.575 8.214 ( -2.253 0.000 -1.778) 2.870 8.256 ( 1.552 0.000 -1.024) 1.859 8.301 ( 2.754 0.000 -4.247) 5.062 8.477 ( -5.606 0.000 1.057) 5.705 8.477 ( 11.502 0.000 -4.222) 12.252 8.535 ( -1.339 0.000 0.491) 1.427 8.665 ( 7.929 0.000 1.669) 8.103 8.780 ( 8.743 0.000 -9.003) 12.550 8.819 ( 7.660 0.000 -1.344) 7.777 8.970 ( 6.440 0.000 3.787) 7.471 8.996 ( 5.808 0.000 -3.940) 7.018 9.075 ( 4.100 0.000 -3.551) 5.423 9.163 ( -2.705 0.000 -5.450) 6.084 9.174 ( 4.397 0.000 0.090) 4.398 9.202 ( -2.046 0.000 5.126) 5.519 9.254 ( 7.725 0.000 7.616) 10.848 9.324 ( 0.757 0.000 1.302) 1.506 9.351 ( -6.656 0.000 5.408) 8.576 9.401 ( 2.629 0.000 1.689) 3.125 9.403 ( -6.200 0.000 5.138) 8.052 9.478 ( 0.297 0.000 -2.911) 2.926 9.553 ( 3.342 0.000 1.145) 3.533 9.595 ( -2.299 0.000 -3.420) 4.121 9.638 ( -3.758 0.000 -2.581) 4.559 9.720 ( 0.422 0.000 4.688) 4.707 9.775 ( 7.021 0.000 1.567) 7.194 9.941 ( -3.140 0.000 6.377) 7.108 9.948 ( -5.964 0.000 4.380) 7.400 9.961 ( 3.639 0.000 7.546) 8.377 9.990 ( -3.325 0.000 8.866) 9.469 10.205 ( 14.656 0.000 -11.485) 18.620 10.233 ( -0.130 0.000 -4.095) 4.097 10.354 ( 10.692 0.000 -7.418) 13.014 10.465 ( -9.510 0.000 -2.141) 9.748 10.673 ( -6.878 0.000 2.868) 7.452 10.697 ( 8.930 0.000 1.326) 9.028 10.756 ( 4.843 0.000 0.815) 4.911 10.801 ( 2.824 0.000 -4.904) 5.659 10.845 ( 7.121 0.000 -5.258) 8.852 10.850 ( -5.193 0.000 -3.091) 6.043 10.910 ( -9.189 0.000 -2.410) 9.499 10.950 ( 5.291 0.000 2.137) 5.706 11.022 ( -0.209 0.000 -0.950) 0.972 11.050 ( -4.460 0.000 1.965) 4.874 11.123 ( 7.435 0.000 2.192) 7.752 11.148 ( 9.260 0.000 1.377) 9.362 11.154 ( -4.033 0.000 -2.678) 4.841 11.195 ( 1.814 0.000 -2.850) 3.378 11.197 ( -8.727 0.000 3.506) 9.405 11.264 ( 4.861 0.000 -0.242) 4.867 11.284 ( -5.514 0.000 -4.026) 6.828 11.343 ( -13.542 0.000 -1.499) 13.625 11.424 ( -3.322 0.000 -0.497) 3.359 11.472 ( -1.148 0.000 -0.398) 1.215 11.506 ( -0.996 0.000 2.451) 2.645 11.508 ( -11.100 0.000 -3.468) 11.629 11.553 ( -2.304 0.000 0.826) 2.447 11.583 ( -1.377 0.000 1.638) 2.140 11.628 ( -0.479 0.000 -0.951) 1.065 11.729 ( -6.424 0.000 9.356) 11.349 11.800 ( -11.454 0.000 11.682) 16.361 11.869 ( 3.302 0.000 12.036) 12.481 11.912 ( -6.555 0.000 -6.280) 9.077 11.996 ( -10.229 0.000 9.714) 14.107 12.043 ( 0.399 0.000 0.210) 0.451 12.165 ( -2.305 0.000 12.377) 12.589 12.197 ( 3.253 0.000 0.823) 3.356 12.268 ( -3.941 0.000 -3.184) 5.066 12.358 ( -5.351 0.000 5.430) 7.623 12.496 ( -7.073 0.000 6.633) 9.697 12.507 ( -5.652 0.000 1.499) 5.847 12.534 ( -4.369 0.000 -1.144) 4.516 12.586 ( -4.723 0.000 11.106) 12.068 12.776 ( -5.090 0.000 2.759) 5.790 12.908 ( 2.679 0.000 -2.817) 3.888 13.009 ( -0.102 0.000 -2.114) 2.116 13.054 ( -7.097 0.000 0.473) 7.113 13.125 ( 1.740 0.000 -0.312) 1.768 13.229 ( -2.725 0.000 4.567) 5.318 13.273 ( 0.000 0.000 1.934) 1.934 13.400 ( 11.670 0.000 -2.402) 11.914 13.553 ( -3.501 0.000 -2.270) 4.172 13.629 ( 4.778 0.000 -1.420) 4.984 13.643 ( -1.409 0.000 0.365) 1.455 13.717 ( 1.987 0.000 0.167) 1.994 13.746 ( -4.346 0.000 1.452) 4.582 13.826 ( -2.464 0.000 -1.951) 3.143 14.083 ( 6.094 0.000 3.104) 6.839 14.228 ( 3.697 0.000 3.294) 4.952 14.392 ( 6.176 0.000 -1.827) 6.441 14.459 ( 6.582 0.000 -4.087) 7.748 14.485 ( 4.050 0.000 -0.926) 4.155 14.529 ( 4.908 0.000 -1.361) 5.093 14.714 ( 7.754 0.000 -5.351) 9.421 15.127 ( -3.988 0.000 -8.504) 9.393 15.243 ( -1.609 0.000 -1.008) 1.899 15.288 ( 2.425 0.000 -0.358) 2.452 15.424 ( -5.662 0.000 -0.697) 5.705 15.473 ( -5.523 0.000 2.836) 6.209 15.480 ( -2.422 0.000 -1.770) 3.000 15.541 ( -7.350 0.000 1.707) 7.546 15.589 ( -5.632 0.000 0.303) 5.640 15.648 ( -5.948 0.000 -0.604) 5.979 16.383 ( -1.658 0.000 -0.557) 1.749 16.416 ( -0.370 0.000 0.365) 0.519 16.526 ( -5.464 0.000 2.451) 5.989 16.559 ( -3.561 0.000 0.147) 3.564 16.611 ( -2.227 0.000 -0.252) 2.241 16.834 ( -7.554 0.000 -4.876) 8.991 16.870 ( -8.045 0.000 -2.220) 8.346 16.878 ( -8.623 0.000 -1.597) 8.769 20.203 ( 8.725 0.000 1.335) 8.827 20.219 ( 8.919 0.000 0.636) 8.942 20.411 ( 8.938 0.000 -3.205) 9.495 20.518 ( 2.900 0.000 -5.011) 5.790 20.588 ( -2.329 0.000 2.853) 3.683 20.718 ( -3.404 0.000 0.878) 3.515 20.829 ( -4.495 0.000 -0.636) 4.540 20.847 ( -3.994 0.000 -0.490) 4.024 21.819 ( 0.664 0.000 1.659) 1.787 21.957 ( -3.037 0.000 1.197) 3.265 21.982 ( -1.063 0.000 -0.604) 1.222 22.132 ( -3.865 0.000 -1.835) 4.278 22.191 ( -4.102 0.000 -0.770) 4.174 22.208 ( -1.899 0.000 -1.018) 2.154 22.331 ( -3.860 0.000 -1.115) 4.018 22.374 ( -6.216 0.000 -1.002) 6.296 22.706 ( 7.226 0.000 -1.102) 7.309 22.726 ( 5.498 0.000 2.468) 6.027 22.805 ( 2.255 0.000 -1.889) 2.941 22.847 ( 7.276 0.000 0.544) 7.297 22.893 ( 5.789 0.000 0.144) 5.791 22.909 ( 0.188 0.000 -1.815) 1.824 22.934 ( 8.386 0.000 -0.004) 8.386 23.149 ( -5.092 0.000 -6.601) 8.336 23.396 ( 2.052 0.000 -4.237) 4.708 23.476 ( -4.102 0.000 -3.531) 5.413 23.605 ( -0.909 0.000 -5.519) 5.593 23.768 ( -7.203 0.000 -7.258) 10.225 23.796 ( -6.304 0.000 5.376) 8.285 23.903 ( -7.285 0.000 6.132) 9.522 24.012 ( -9.002 0.000 1.149) 9.075 24.038 ( -6.188 0.000 -0.641) 6.221 24.595 ( -1.504 0.000 2.087) 2.573 24.633 ( -2.340 0.000 2.971) 3.782 24.659 ( -2.758 0.000 3.284) 4.289 24.684 ( -3.391 0.000 0.746) 3.472 24.880 ( 2.315 0.000 2.071) 3.106 24.903 ( 2.699 0.000 0.714) 2.792 25.019 ( -1.317 0.000 -0.809) 1.546 25.095 ( 1.208 0.000 0.762) 1.428 25.114 ( -0.157 0.000 0.648) 0.667 25.325 ( -6.188 0.000 -1.493) 6.365 25.380 ( -3.692 0.000 -1.846) 4.128 25.413 ( -0.502 0.000 -4.361) 4.389 25.415 ( -7.232 0.000 7.132) 10.157 25.504 ( -11.502 0.000 2.718) 11.819 25.677 ( -10.685 0.000 0.981) 10.730 25.948 ( -13.743 0.000 -2.759) 14.017 ======================= Grid point 31 (15/40) ======================= q-point: ( 0.44 0.00 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.350 ( 27.650 0.000 8.593) 28.955 2.532 ( 16.591 0.000 -1.839) 16.693 2.675 ( 15.294 0.000 -5.258) 16.173 2.744 ( 3.084 0.000 6.134) 6.866 2.871 ( -11.480 0.000 5.811) 12.867 2.959 ( 20.787 0.000 9.106) 22.694 3.078 ( -20.047 0.000 -1.292) 20.088 3.317 ( 0.105 0.000 -5.231) 5.232 3.439 ( 8.707 0.000 -5.044) 10.063 3.492 ( -7.733 0.000 4.284) 8.840 3.582 ( -7.950 0.000 -9.191) 12.152 3.670 ( -9.155 0.000 -4.044) 10.009 3.722 ( 15.444 0.000 -3.720) 15.886 3.749 ( 2.908 0.000 -9.967) 10.383 3.878 ( -7.645 0.000 -0.859) 7.693 3.930 ( 3.464 0.000 0.588) 3.514 3.994 ( 2.420 0.000 -11.426) 11.680 4.053 ( -9.037 0.000 4.363) 10.035 4.066 ( -5.626 0.000 0.490) 5.647 4.082 ( -1.679 0.000 -1.156) 2.039 4.228 ( 7.908 0.000 0.325) 7.914 4.405 ( -9.405 0.000 -0.403) 9.414 4.484 ( 4.809 0.000 3.786) 6.121 4.498 ( 0.031 0.000 6.652) 6.652 4.535 ( 1.236 0.000 9.997) 10.073 4.586 ( -7.699 0.000 3.665) 8.526 4.754 ( 8.893 0.000 2.297) 9.185 4.787 ( 2.728 0.000 -6.140) 6.718 4.861 ( 12.853 0.000 1.599) 12.952 4.869 ( 6.000 0.000 -3.086) 6.747 4.924 ( 1.246 0.000 3.767) 3.967 4.938 ( -6.126 0.000 4.980) 7.895 5.060 ( -7.526 0.000 1.442) 7.663 5.113 ( 3.816 0.000 4.180) 5.660 5.120 ( -7.618 0.000 -2.841) 8.131 5.194 ( -3.168 0.000 1.180) 3.381 5.318 ( 10.502 0.000 4.093) 11.271 5.322 ( 12.324 0.000 0.743) 12.346 5.414 ( 8.221 0.000 1.974) 8.454 5.553 ( -8.194 0.000 2.058) 8.448 5.574 ( -10.271 0.000 5.540) 11.670 5.639 ( -2.622 0.000 -1.897) 3.237 5.779 ( 11.865 0.000 -0.687) 11.885 5.815 ( 7.117 0.000 -1.027) 7.191 5.839 ( 11.324 0.000 0.877) 11.358 5.856 ( 10.085 0.000 -0.143) 10.086 6.034 ( 0.695 0.000 3.242) 3.316 6.093 ( 6.039 0.000 4.027) 7.259 6.135 ( -6.259 0.000 3.560) 7.200 6.150 ( -1.236 0.000 -1.992) 2.344 6.199 ( -0.663 0.000 -5.485) 5.525 6.224 ( 1.988 0.000 2.822) 3.452 6.322 ( 2.327 0.000 5.358) 5.842 6.342 ( 4.126 0.000 6.911) 8.049 6.489 ( -11.604 0.000 0.683) 11.624 6.491 ( 8.678 0.000 2.741) 9.100 6.569 ( -8.095 0.000 -2.573) 8.494 6.633 ( 4.770 0.000 -1.876) 5.126 6.748 ( -7.987 0.000 1.313) 8.094 6.812 ( -7.468 0.000 -3.312) 8.170 6.861 ( 7.445 0.000 0.975) 7.508 6.897 ( -4.827 0.000 3.834) 6.164 7.040 ( -9.949 0.000 1.173) 10.018 7.073 ( -14.380 0.000 0.410) 14.385 7.205 ( 5.428 0.000 -3.911) 6.690 7.234 ( 3.187 0.000 0.577) 3.239 7.304 ( -2.788 0.000 -9.347) 9.754 7.324 ( -5.664 0.000 -7.795) 9.635 7.459 ( 3.522 0.000 -9.471) 10.105 7.522 ( 7.882 0.000 -0.524) 7.899 7.552 ( -3.436 0.000 -6.286) 7.164 7.598 ( 6.546 0.000 -7.203) 9.733 7.666 ( 1.631 0.000 -3.188) 3.581 7.673 ( 0.030 0.000 -7.086) 7.086 7.688 ( -7.184 0.000 1.234) 7.289 7.730 ( -2.835 0.000 -2.468) 3.758 7.888 ( 9.632 0.000 1.332) 9.723 7.979 ( 8.542 0.000 1.775) 8.725 7.987 ( 2.866 0.000 -4.173) 5.063 8.070 ( 1.676 0.000 -0.547) 1.763 8.096 ( 0.881 0.000 1.433) 1.682 8.110 ( -5.121 0.000 -8.394) 9.833 8.173 ( -8.743 0.000 -5.072) 10.108 8.214 ( -6.822 0.000 -1.045) 6.902 8.425 ( 3.481 0.000 -5.771) 6.740 8.509 ( -3.131 0.000 -1.556) 3.496 8.789 ( 11.943 0.000 0.469) 11.952 8.904 ( 2.093 0.000 -3.052) 3.701 8.935 ( 6.720 0.000 0.293) 6.726 8.981 ( 9.401 0.000 -1.472) 9.515 9.057 ( 1.557 0.000 3.731) 4.043 9.066 ( -0.389 0.000 3.309) 3.332 9.090 ( -8.426 0.000 5.939) 10.308 9.177 ( 6.714 0.000 -2.514) 7.169 9.183 ( -9.460 0.000 5.004) 10.702 9.250 ( 0.802 0.000 2.039) 2.191 9.313 ( 8.499 0.000 3.096) 9.045 9.316 ( 5.648 0.000 -1.544) 5.855 9.341 ( 11.310 0.000 -4.579) 12.202 9.447 ( -2.161 0.000 -0.615) 2.247 9.456 ( 2.330 0.000 -3.167) 3.932 9.534 ( 4.406 0.000 -2.133) 4.895 9.586 ( 14.632 0.000 4.684) 15.364 9.637 ( -0.102 0.000 -3.470) 3.471 9.730 ( 0.370 0.000 0.417) 0.558 9.774 ( -2.697 0.000 0.763) 2.803 9.810 ( -2.789 0.000 6.425) 7.004 9.944 ( 14.175 0.000 -4.809) 14.969 9.962 ( 1.623 0.000 7.424) 7.600 9.983 ( 6.338 0.000 4.264) 7.639 10.067 ( 3.837 0.000 6.796) 7.804 10.078 ( -7.745 0.000 2.815) 8.241 10.192 ( -15.693 0.000 4.496) 16.324 10.222 ( -15.984 0.000 1.062) 16.020 10.363 ( -5.549 0.000 -5.395) 7.740 10.447 ( -29.819 0.000 2.540) 29.927 10.550 ( 10.124 0.000 -15.779) 18.748 10.755 ( -4.810 0.000 -3.475) 5.934 10.785 ( -2.373 0.000 -10.408) 10.675 10.801 ( -7.308 0.000 -5.811) 9.337 10.831 ( 1.293 0.000 -0.777) 1.509 10.861 ( -0.427 0.000 0.937) 1.030 11.010 ( 5.459 0.000 0.015) 5.459 11.015 ( 2.816 0.000 -2.872) 4.022 11.056 ( -1.656 0.000 -3.945) 4.279 11.111 ( 4.011 0.000 0.254) 4.019 11.155 ( -4.127 0.000 -0.329) 4.140 11.164 ( 1.536 0.000 1.448) 2.111 11.221 ( -0.344 0.000 1.695) 1.730 11.244 ( 4.368 0.000 -0.851) 4.450 11.257 ( -5.964 0.000 0.581) 5.992 11.301 ( 6.185 0.000 4.327) 7.548 11.352 ( 2.257 0.000 -6.088) 6.493 11.352 ( -2.503 0.000 -2.618) 3.622 11.377 ( 4.847 0.000 4.446) 6.577 11.464 ( -2.543 0.000 2.872) 3.836 11.482 ( -2.867 0.000 -2.872) 4.058 11.533 ( 2.381 0.000 1.524) 2.826 11.556 ( -7.830 0.000 -2.766) 8.304 11.599 ( -1.785 0.000 0.308) 1.812 11.675 ( 1.822 0.000 15.876) 15.980 11.689 ( -0.827 0.000 12.808) 12.835 11.882 ( 2.430 0.000 4.522) 5.133 11.886 ( 4.530 0.000 -9.504) 10.529 11.969 ( 1.659 0.000 11.973) 12.087 12.011 ( -4.810 0.000 -3.236) 5.797 12.098 ( -2.069 0.000 1.581) 2.604 12.194 ( -5.450 0.000 3.924) 6.716 12.245 ( 1.318 0.000 5.695) 5.846 12.276 ( -1.650 0.000 7.146) 7.334 12.371 ( 0.084 0.000 12.153) 12.153 12.422 ( -1.547 0.000 -1.187) 1.950 12.452 ( -3.433 0.000 -0.496) 3.469 12.480 ( -7.006 0.000 12.675) 14.482 12.759 ( 4.269 0.000 1.169) 4.426 12.896 ( -7.765 0.000 0.984) 7.827 12.949 ( 2.656 0.000 -3.851) 4.678 13.019 ( -1.982 0.000 -0.212) 1.993 13.103 ( -0.817 0.000 0.187) 0.838 13.139 ( -2.337 0.000 0.159) 2.343 13.367 ( 4.985 0.000 3.255) 5.954 13.465 ( -4.584 0.000 0.328) 4.595 13.604 ( 7.784 0.000 -2.083) 8.058 13.635 ( 0.751 0.000 0.383) 0.843 13.672 ( -2.728 0.000 0.414) 2.760 13.702 ( 0.447 0.000 -2.131) 2.177 13.733 ( 0.284 0.000 -0.251) 0.379 13.769 ( -2.488 0.000 -1.431) 2.870 14.198 ( 4.501 0.000 3.046) 5.435 14.256 ( -0.894 0.000 3.579) 3.689 14.501 ( 3.668 0.000 -2.657) 4.529 14.534 ( 0.499 0.000 -1.920) 1.984 14.566 ( 3.559 0.000 -4.096) 5.426 14.595 ( 1.025 0.000 -2.723) 2.909 14.875 ( 7.705 0.000 -7.530) 10.773 15.022 ( -6.211 0.000 -8.780) 10.754 15.251 ( 2.186 0.000 1.275) 2.530 15.322 ( -4.313 0.000 1.530) 4.576 15.362 ( 4.436 0.000 -0.780) 4.504 15.389 ( -1.699 0.000 1.953) 2.589 15.417 ( -4.135 0.000 2.293) 4.728 15.443 ( -2.055 0.000 -1.710) 2.674 15.492 ( -2.308 0.000 0.673) 2.404 15.531 ( -4.715 0.000 -0.390) 4.731 16.368 ( 0.719 0.000 1.013) 1.242 16.420 ( 1.005 0.000 0.887) 1.341 16.421 ( -4.211 0.000 2.617) 4.958 16.468 ( -3.701 0.000 1.655) 4.055 16.623 ( 2.585 0.000 -2.380) 3.514 16.718 ( -6.454 0.000 -2.041) 6.770 16.721 ( -2.608 0.000 -3.666) 4.499 16.738 ( -4.074 0.000 -2.494) 4.776 20.371 ( 7.253 0.000 1.458) 7.399 20.395 ( 7.661 0.000 0.721) 7.695 20.491 ( -3.630 0.000 0.845) 3.727 20.517 ( -3.477 0.000 0.419) 3.502 20.597 ( 5.759 0.000 -1.118) 5.866 20.690 ( 1.421 0.000 -2.582) 2.947 20.722 ( -5.742 0.000 -1.324) 5.892 20.757 ( -4.292 0.000 -1.382) 4.509 21.843 ( 1.729 0.000 1.316) 2.173 21.893 ( -2.990 0.000 1.053) 3.170 21.985 ( 1.419 0.000 -0.834) 1.646 22.042 ( -3.970 0.000 -1.384) 4.204 22.159 ( 1.248 0.000 -0.193) 1.263 22.195 ( 0.959 0.000 -0.865) 1.292 22.236 ( -5.849 0.000 -0.404) 5.863 22.247 ( -3.756 0.000 -0.992) 3.885 22.816 ( 3.023 0.000 1.336) 3.305 22.837 ( 5.450 0.000 -0.370) 5.463 22.845 ( 0.625 0.000 -1.609) 1.726 22.920 ( -1.617 0.000 0.304) 1.645 22.949 ( 3.549 0.000 1.109) 3.718 23.010 ( 5.962 0.000 -1.981) 6.282 23.043 ( -5.059 0.000 -2.173) 5.506 23.068 ( 2.136 0.000 -1.009) 2.362 23.477 ( 5.424 0.000 -1.461) 5.617 23.532 ( 8.731 0.000 -1.213) 8.815 23.582 ( -2.915 0.000 -0.076) 2.916 23.689 ( -0.298 0.000 -4.697) 4.706 23.694 ( -1.418 0.000 -1.063) 1.772 23.759 ( -6.016 0.000 1.133) 6.121 23.794 ( -9.755 0.000 0.104) 9.756 23.863 ( -9.573 0.000 -2.018) 9.783 24.582 ( 0.413 0.000 2.620) 2.652 24.605 ( -0.108 0.000 2.217) 2.220 24.608 ( -1.979 0.000 2.328) 3.056 24.627 ( -2.049 0.000 1.217) 2.383 24.935 ( 2.585 0.000 0.071) 2.586 24.983 ( -2.078 0.000 -0.543) 2.147 24.985 ( 4.810 0.000 -0.804) 4.876 25.076 ( -2.932 0.000 -0.671) 3.007 25.167 ( 4.141 0.000 2.615) 4.897 25.242 ( -0.547 0.000 -0.174) 0.574 25.274 ( -6.127 0.000 4.796) 7.781 25.312 ( -6.713 0.000 3.003) 7.354 25.367 ( 2.496 0.000 -1.245) 2.789 25.453 ( -0.912 0.000 -2.203) 2.385 25.511 ( 0.005 0.000 -0.475) 0.475 25.681 ( -11.485 0.000 -2.315) 11.716 ======================= Grid point 36 (16/40) ======================= q-point: ( 0.00 0.33 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 22.721 24.768) 33.611 0.904 ( 0.000 22.427 24.826) 33.456 1.404 ( 0.000 -20.978 16.384) 26.618 1.513 ( 0.000 -31.411 14.083) 34.423 1.710 ( 0.000 42.368 41.718) 59.460 2.292 ( 0.000 13.683 6.057) 14.964 2.402 ( 0.000 -2.370 -0.357) 2.397 2.514 ( 0.000 20.038 13.800) 24.330 2.546 ( 0.000 -41.760 17.006) 45.090 2.819 ( 0.000 -12.742 8.145) 15.123 2.858 ( 0.000 -1.049 -3.597) 3.747 2.957 ( 0.000 -8.784 0.493) 8.798 3.154 ( 0.000 7.358 -7.108) 10.231 3.255 ( 0.000 -2.880 -9.758) 10.174 3.301 ( 0.000 3.677 0.422) 3.701 3.340 ( 0.000 8.141 -14.760) 16.856 3.362 ( 0.000 -4.853 -1.649) 5.125 3.380 ( 0.000 6.252 7.546) 9.800 3.529 ( 0.000 -5.723 -15.363) 16.394 3.555 ( 0.000 -6.867 1.023) 6.943 3.990 ( 0.000 -2.480 -9.580) 9.896 3.994 ( 0.000 -3.376 -0.799) 3.469 4.413 ( 0.000 13.674 -0.589) 13.687 4.503 ( 0.000 11.915 3.440) 12.402 4.599 ( 0.000 -7.261 -0.395) 7.272 4.671 ( 0.000 6.163 9.807) 11.583 4.687 ( 0.000 -4.760 -0.068) 4.760 4.739 ( 0.000 5.216 13.258) 14.247 4.813 ( 0.000 25.988 13.575) 29.320 4.817 ( 0.000 -12.857 4.234) 13.536 4.869 ( 0.000 -8.801 15.109) 17.485 5.120 ( 0.000 -3.457 7.104) 7.900 5.195 ( 0.000 -2.553 8.452) 8.829 5.238 ( 0.000 -6.735 0.494) 6.753 5.254 ( 0.000 0.972 -3.302) 3.442 5.282 ( 0.000 -1.168 2.855) 3.085 5.370 ( 0.000 3.055 1.026) 3.223 5.423 ( 0.000 2.781 -14.765) 15.025 5.462 ( 0.000 0.745 -9.196) 9.226 5.466 ( 0.000 -5.468 7.010) 8.890 5.559 ( 0.000 2.510 -3.581) 4.373 5.694 ( 0.000 -11.988 2.604) 12.268 5.696 ( 0.000 1.111 -9.159) 9.226 5.708 ( 0.000 1.863 -8.440) 8.643 5.808 ( 0.000 6.173 -7.107) 9.413 5.907 ( 0.000 8.942 -2.403) 9.259 5.995 ( 0.000 -10.249 -2.420) 10.531 6.132 ( 0.000 -14.466 -11.212) 18.302 6.261 ( 0.000 10.070 2.288) 10.327 6.281 ( 0.000 17.984 2.749) 18.193 6.318 ( 0.000 1.535 1.477) 2.130 6.509 ( 0.000 1.107 -0.058) 1.108 6.523 ( 0.000 4.961 6.008) 7.791 6.604 ( 0.000 -4.651 7.548) 8.866 6.604 ( 0.000 -7.373 3.321) 8.086 6.643 ( 0.000 7.106 -20.618) 21.809 6.695 ( 0.000 -11.685 -1.422) 11.772 6.732 ( 0.000 -3.036 -13.273) 13.616 6.841 ( 0.000 1.637 1.558) 2.260 6.897 ( 0.000 -4.972 2.054) 5.379 6.930 ( 0.000 0.919 2.133) 2.323 6.977 ( 0.000 -1.873 2.229) 2.912 7.012 ( 0.000 4.446 -3.592) 5.716 7.088 ( 0.000 -1.936 -1.400) 2.390 7.142 ( 0.000 -0.489 2.714) 2.758 7.215 ( 0.000 -4.982 1.937) 5.346 7.237 ( 0.000 1.833 -4.547) 4.903 7.271 ( 0.000 -1.400 -1.953) 2.403 7.385 ( 0.000 2.198 -11.410) 11.619 7.474 ( 0.000 -2.235 -8.967) 9.242 7.498 ( 0.000 4.930 -11.659) 12.659 7.565 ( 0.000 -4.571 -11.959) 12.803 7.646 ( 0.000 2.646 -5.002) 5.659 7.696 ( 0.000 -0.216 -6.831) 6.834 7.781 ( 0.000 -0.719 -8.113) 8.145 7.794 ( 0.000 -2.176 -4.237) 4.763 7.806 ( 0.000 1.708 0.841) 1.903 7.839 ( 0.000 1.622 -7.983) 8.147 7.888 ( 0.000 6.239 -2.800) 6.839 7.931 ( 0.000 1.308 -10.872) 10.950 8.123 ( 0.000 8.814 5.980) 10.651 8.197 ( 0.000 5.214 -6.979) 8.712 8.243 ( 0.000 5.195 -8.877) 10.285 8.268 ( 0.000 -3.253 -1.129) 3.443 8.334 ( 0.000 -1.208 4.383) 4.546 8.491 ( 0.000 -2.394 7.567) 7.937 8.513 ( 0.000 0.509 -0.131) 0.525 8.521 ( 0.000 -8.949 -3.196) 9.502 8.612 ( 0.000 3.612 -1.349) 3.856 8.704 ( 0.000 -7.390 -3.742) 8.283 8.812 ( 0.000 2.602 3.012) 3.981 8.853 ( 0.000 -0.325 0.093) 0.338 9.055 ( 0.000 7.164 -10.646) 12.832 9.075 ( 0.000 -0.501 -5.191) 5.216 9.108 ( 0.000 1.583 3.495) 3.837 9.123 ( 0.000 -1.841 -0.669) 1.959 9.142 ( 0.000 2.366 0.910) 2.535 9.151 ( 0.000 1.015 5.560) 5.651 9.351 ( 0.000 -1.096 2.970) 3.166 9.402 ( 0.000 -4.112 -0.094) 4.113 9.494 ( 0.000 1.382 0.294) 1.412 9.511 ( 0.000 -0.537 -4.682) 4.713 9.603 ( 0.000 2.380 2.006) 3.113 9.643 ( 0.000 -1.297 3.451) 3.687 9.678 ( 0.000 5.937 3.651) 6.970 9.807 ( 0.000 -4.928 5.633) 7.485 9.898 ( 0.000 0.744 7.560) 7.597 9.933 ( 0.000 -0.957 -0.588) 1.123 9.943 ( 0.000 9.309 2.036) 9.529 10.006 ( 0.000 2.300 7.343) 7.695 10.079 ( 0.000 -0.088 7.402) 7.402 10.089 ( 0.000 -2.623 4.549) 5.251 10.122 ( 0.000 0.372 6.374) 6.384 10.164 ( 0.000 -2.904 -0.452) 2.939 10.287 ( 0.000 -1.264 -4.585) 4.756 10.301 ( 0.000 -1.032 -2.259) 2.483 10.479 ( 0.000 -1.746 2.394) 2.963 10.503 ( 0.000 -3.399 2.221) 4.060 10.568 ( 0.000 2.867 -6.075) 6.717 10.585 ( 0.000 2.239 0.153) 2.244 10.625 ( 0.000 -1.585 -3.685) 4.012 10.631 ( 0.000 -0.769 -2.237) 2.366 10.723 ( 0.000 3.930 0.608) 3.977 10.798 ( 0.000 -3.773 1.857) 4.205 10.941 ( 0.000 -0.448 3.945) 3.970 10.942 ( 0.000 -0.571 -1.873) 1.958 11.105 ( 0.000 3.869 -2.815) 4.785 11.151 ( 0.000 -1.367 -2.089) 2.497 11.181 ( 0.000 9.506 -1.260) 9.589 11.250 ( 0.000 1.878 4.069) 4.481 11.428 ( 0.000 2.458 -2.463) 3.480 11.451 ( 0.000 -1.570 2.626) 3.059 11.519 ( 0.000 -0.864 1.236) 1.507 11.581 ( 0.000 -0.959 -1.179) 1.520 11.588 ( 0.000 1.692 -0.062) 1.693 11.643 ( 0.000 2.633 -5.199) 5.828 11.662 ( 0.000 -8.204 -0.527) 8.221 11.740 ( 0.000 -11.173 -9.852) 14.896 11.844 ( 0.000 3.911 1.546) 4.206 11.920 ( 0.000 -2.203 1.289) 2.552 11.987 ( 0.000 5.183 0.854) 5.253 12.104 ( 0.000 -6.914 0.873) 6.968 12.123 ( 0.000 1.082 -1.458) 1.816 12.159 ( 0.000 -2.202 -0.691) 2.308 12.237 ( 0.000 7.342 -2.617) 7.794 12.320 ( 0.000 -1.295 -2.041) 2.417 12.346 ( 0.000 3.673 -2.153) 4.258 12.419 ( 0.000 -5.147 0.465) 5.168 12.578 ( 0.000 1.945 8.047) 8.278 12.593 ( 0.000 0.584 9.175) 9.194 12.616 ( 0.000 -0.010 12.830) 12.830 12.673 ( 0.000 -4.410 7.977) 9.115 12.777 ( 0.000 5.136 -1.507) 5.353 12.843 ( 0.000 3.140 0.828) 3.248 12.897 ( 0.000 -6.266 -1.366) 6.413 12.917 ( 0.000 -6.442 -1.473) 6.609 13.005 ( 0.000 11.963 6.333) 13.535 13.133 ( 0.000 0.195 2.869) 2.875 13.161 ( 0.000 -1.954 0.900) 2.151 13.202 ( 0.000 1.025 3.519) 3.665 13.264 ( 0.000 -3.378 1.628) 3.750 13.269 ( 0.000 -14.584 14.250) 20.390 13.498 ( 0.000 4.651 -1.793) 4.985 13.536 ( 0.000 1.594 -1.777) 2.387 13.685 ( 0.000 1.344 8.382) 8.489 13.742 ( 0.000 -6.120 4.486) 7.588 13.804 ( 0.000 -1.310 0.991) 1.643 13.827 ( 0.000 -3.456 -1.756) 3.877 13.952 ( 0.000 1.488 -2.069) 2.549 13.970 ( 0.000 -1.981 1.075) 2.253 14.168 ( 0.000 -1.068 9.922) 9.980 14.173 ( 0.000 -1.083 7.361) 7.440 14.226 ( 0.000 3.861 -2.150) 4.419 14.271 ( 0.000 -0.259 -0.448) 0.517 14.377 ( 0.000 4.784 5.722) 7.458 14.560 ( 0.000 -18.656 14.172) 23.428 15.456 ( 0.000 3.980 -6.192) 7.361 15.530 ( 0.000 -3.778 -5.460) 6.640 15.679 ( 0.000 5.559 -8.219) 9.923 15.691 ( 0.000 1.003 -1.522) 1.823 15.756 ( 0.000 4.990 -0.297) 4.999 15.823 ( 0.000 -1.808 -2.032) 2.720 15.852 ( 0.000 0.535 -0.456) 0.703 15.865 ( 0.000 -0.819 0.396) 0.909 16.400 ( 0.000 1.455 -0.319) 1.490 16.429 ( 0.000 -1.545 -0.387) 1.593 16.443 ( 0.000 0.635 -1.008) 1.191 16.454 ( 0.000 -0.489 -0.885) 1.011 16.867 ( 0.000 0.697 6.002) 6.042 16.918 ( 0.000 -6.224 8.961) 10.910 17.213 ( 0.000 0.871 -1.316) 1.578 17.229 ( 0.000 -0.796 -0.944) 1.235 19.820 ( 0.000 0.007 0.298) 0.298 19.820 ( 0.000 -0.005 0.253) 0.253 19.848 ( 0.000 -0.031 -0.237) 0.240 19.849 ( 0.000 -0.037 -0.340) 0.342 20.663 ( 0.000 2.403 4.262) 4.892 20.772 ( 0.000 -12.838 10.748) 16.744 20.941 ( 0.000 0.893 -1.548) 1.787 20.959 ( 0.000 -0.957 0.264) 0.992 21.997 ( 0.000 0.461 -0.955) 1.060 22.008 ( 0.000 -0.668 0.255) 0.715 22.169 ( 0.000 3.482 0.783) 3.569 22.188 ( 0.000 5.371 -6.130) 8.151 22.202 ( 0.000 1.638 1.548) 2.254 22.258 ( 0.000 -4.625 0.530) 4.655 22.287 ( 0.000 -0.182 -3.247) 3.252 22.291 ( 0.000 -1.405 -2.572) 2.931 22.502 ( 0.000 5.290 1.644) 5.540 22.571 ( 0.000 -2.719 0.447) 2.755 22.648 ( 0.000 4.062 -2.621) 4.834 22.679 ( 0.000 3.931 0.770) 4.006 22.686 ( 0.000 -1.023 -1.781) 2.053 22.800 ( 0.000 -7.712 1.960) 7.957 23.085 ( 0.000 34.693 -31.483) 46.848 23.441 ( 0.000 0.835 -7.826) 7.871 23.479 ( 0.000 -6.429 -14.432) 15.799 23.542 ( 0.000 -3.869 2.008) 4.359 24.031 ( 0.000 1.150 -5.624) 5.741 24.058 ( 0.000 -1.712 -6.410) 6.634 24.127 ( 0.000 1.878 -1.681) 2.520 24.154 ( 0.000 -0.949 -7.783) 7.841 24.179 ( 0.000 1.286 4.508) 4.688 24.196 ( 0.000 -0.618 2.845) 2.912 24.668 ( 0.000 1.211 2.806) 3.056 24.686 ( 0.000 -0.258 -0.049) 0.262 24.707 ( 0.000 0.288 1.159) 1.194 24.726 ( 0.000 -1.244 -0.098) 1.248 24.915 ( 0.000 -2.350 -2.028) 3.104 24.923 ( 0.000 -2.953 3.293) 4.423 25.127 ( 0.000 6.057 9.498) 11.265 25.162 ( 0.000 3.733 -0.784) 3.814 25.573 ( 0.000 0.438 3.594) 3.621 25.607 ( 0.000 -2.177 1.427) 2.603 25.683 ( 0.000 0.725 -0.177) 0.746 25.697 ( 0.000 -0.663 0.448) 0.800 25.961 ( 0.000 -1.800 4.095) 4.474 26.048 ( 0.000 -13.330 12.789) 18.473 26.391 ( 0.000 5.902 -4.043) 7.153 26.482 ( 0.000 -3.610 -3.563) 5.072 ======================= Grid point 37 (17/40) ======================= q-point: ( 0.11 0.33 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 10.031 13.097 22.533) 27.927 1.212 ( 13.861 -5.113 17.414) 22.837 1.431 ( 10.268 -8.053 18.635) 22.750 1.730 ( 16.536 -24.254 20.134) 35.596 1.965 ( 24.188 39.074 28.402) 54.023 2.358 ( 9.299 16.406 5.689) 19.698 2.550 ( 3.913 18.427 12.761) 22.753 2.640 ( 18.407 -6.730 -0.702) 19.612 2.692 ( 12.890 -25.638 9.743) 30.305 2.848 ( 3.559 -16.993 9.583) 19.831 3.075 ( 18.947 2.925 -6.415) 20.216 3.199 ( 19.240 -7.462 -1.178) 20.670 3.234 ( 3.454 10.221 -13.631) 17.384 3.385 ( 10.427 -2.443 -2.840) 11.079 3.404 ( 10.269 2.369 -1.865) 10.702 3.442 ( 10.805 0.905 3.396) 11.362 3.464 ( 8.830 -8.629 -9.848) 15.793 3.482 ( 10.686 1.795 -5.132) 11.990 3.685 ( 15.313 -0.618 -10.996) 18.862 3.759 ( 16.293 -7.378 -5.821) 18.810 4.101 ( 10.376 0.896 -3.341) 10.938 4.129 ( 12.609 -1.951 0.159) 12.760 4.403 ( -2.976 9.073 -0.918) 9.593 4.465 ( 2.653 2.207 -1.724) 3.858 4.588 ( -2.018 2.510 8.589) 9.173 4.665 ( -2.160 5.946 13.441) 14.855 4.710 ( 2.763 4.582 6.814) 8.664 4.749 ( -1.696 -3.864 4.342) 6.055 4.809 ( -0.424 -5.127 8.148) 9.636 4.826 ( 1.450 7.052 4.225) 8.348 4.918 ( 2.251 -2.713 12.318) 12.812 5.058 ( -8.170 -3.760 4.629) 10.115 5.137 ( -3.006 0.123 0.565) 3.061 5.177 ( -8.392 -4.125 -3.955) 10.153 5.224 ( -4.540 1.520 6.164) 7.805 5.266 ( -2.673 -1.589 6.249) 6.980 5.292 ( -5.303 1.099 5.347) 7.611 5.344 ( -11.199 -3.414 2.010) 11.879 5.432 ( 0.846 3.799 -9.774) 10.520 5.464 ( -1.180 2.872 -3.552) 4.718 5.516 ( -3.029 1.272 -1.920) 3.805 5.561 ( -4.714 0.741 -8.219) 9.504 5.707 ( -1.246 -2.467 -3.535) 4.487 5.736 ( 1.329 -7.782 0.799) 7.935 5.817 ( 0.058 3.525 -4.737) 5.905 5.872 ( -0.199 0.466 -4.617) 4.644 6.086 ( 1.462 6.359 -2.214) 6.890 6.132 ( 0.176 -3.340 -0.319) 3.360 6.169 ( -2.985 6.286 -1.636) 7.149 6.273 ( -1.401 6.715 -5.125) 8.562 6.279 ( 1.045 -3.733 -7.476) 8.421 6.439 ( -5.346 7.902 3.620) 10.204 6.489 ( -2.448 -2.738 -0.824) 3.763 6.582 ( -2.899 -2.677 0.529) 3.981 6.617 ( -0.587 -6.330 5.952) 8.709 6.648 ( -1.065 -1.390 -2.819) 3.319 6.670 ( -2.090 -1.184 -4.884) 5.442 6.758 ( -1.848 -3.503 -8.664) 9.526 6.836 ( 0.057 2.435 2.700) 3.637 6.861 ( -1.058 0.802 -3.992) 4.207 6.910 ( -1.296 -4.856 -0.502) 5.051 6.954 ( -4.162 -5.904 -0.125) 7.224 6.985 ( 1.625 1.865 1.207) 2.752 7.034 ( 2.049 1.197 -0.043) 2.374 7.131 ( -2.882 -0.307 0.137) 2.901 7.197 ( 1.137 -3.700 -1.491) 4.148 7.253 ( 2.961 1.009 -4.655) 5.609 7.299 ( 2.722 -1.594 -3.817) 4.951 7.380 ( -7.167 3.640 0.095) 8.039 7.444 ( -10.927 3.552 -2.920) 11.855 7.505 ( -2.414 1.044 -4.936) 5.593 7.554 ( -3.779 -1.751 -4.852) 6.394 7.590 ( -5.201 1.769 -5.662) 7.890 7.619 ( 4.630 -2.352 -6.730) 8.500 7.733 ( -0.359 3.212 -8.516) 9.109 7.751 ( -0.156 -0.661 -9.868) 9.892 7.796 ( 0.339 3.187 -11.424) 11.865 7.866 ( 0.408 -3.004 -12.675) 13.032 7.932 ( 2.462 5.575 -5.467) 8.187 7.975 ( 6.249 -3.227 -5.534) 8.949 8.053 ( 0.522 13.723 4.244) 14.373 8.168 ( 1.248 2.891 1.209) 3.373 8.277 ( 1.174 2.473 -2.774) 3.897 8.312 ( 0.609 3.472 -0.712) 3.596 8.404 ( 3.746 -7.211 4.457) 9.268 8.483 ( -1.025 -7.188 0.886) 7.314 8.533 ( -0.808 -2.374 -2.436) 3.496 8.534 ( 0.241 -3.595 -2.753) 4.535 8.624 ( 1.344 2.915 -1.820) 3.690 8.691 ( -1.107 -5.044 -3.634) 6.314 8.830 ( 1.212 5.448 4.778) 7.347 8.879 ( -0.226 1.858 7.814) 8.035 9.043 ( -0.122 1.762 -4.553) 4.883 9.069 ( 0.363 0.834 -4.566) 4.655 9.105 ( -0.261 1.801 0.737) 1.963 9.147 ( 0.283 -0.430 2.148) 2.209 9.171 ( 2.334 0.614 3.884) 4.573 9.256 ( 3.408 -4.670 -0.971) 5.862 9.298 ( 3.049 1.107 2.220) 3.931 9.383 ( 2.581 -5.701 2.575) 6.767 9.490 ( 1.851 2.826 -0.030) 3.378 9.547 ( 2.666 -1.827 -3.563) 4.811 9.581 ( -2.226 5.668 3.557) 7.053 9.671 ( 1.821 -1.135 2.174) 3.054 9.696 ( 2.414 3.652 1.150) 4.526 9.786 ( -1.295 -3.787 5.337) 6.671 9.846 ( -4.854 5.671 3.190) 8.118 9.914 ( -2.699 0.322 -1.734) 3.224 9.938 ( 0.085 3.434 2.177) 4.066 10.010 ( -0.260 -0.469 6.542) 6.564 10.053 ( -3.727 -2.391 2.183) 4.937 10.076 ( -1.695 -2.658 4.930) 5.852 10.166 ( 1.157 0.752 5.394) 5.568 10.209 ( 2.744 -4.352 3.110) 6.012 10.343 ( 7.055 2.321 1.295) 7.539 10.375 ( 4.578 -0.276 -2.134) 5.058 10.402 ( -0.168 2.092 2.202) 3.042 10.483 ( -0.184 -6.159 2.251) 6.560 10.562 ( 2.020 1.374 -4.188) 4.848 10.588 ( 4.928 -1.549 -3.695) 6.352 10.689 ( 3.213 1.174 -0.719) 3.496 10.706 ( 4.024 0.512 -2.706) 4.877 10.757 ( 5.112 2.602 0.577) 5.765 10.815 ( 2.090 -3.395 0.211) 3.993 10.962 ( 2.581 0.740 -0.171) 2.690 10.986 ( 3.770 -1.150 1.439) 4.196 11.094 ( -0.701 5.902 -0.851) 6.005 11.158 ( -0.501 2.128 -2.827) 3.573 11.192 ( 0.813 2.842 1.533) 3.330 11.258 ( 2.548 0.021 -0.851) 2.687 11.391 ( 0.379 -1.611 2.721) 3.185 11.407 ( -3.178 -1.328 -2.005) 3.986 11.505 ( -3.081 -1.762 1.548) 3.873 11.515 ( -2.973 -1.365 1.963) 3.815 11.577 ( -0.291 4.162 -4.117) 5.862 11.684 ( -1.585 -0.943 -3.713) 4.146 11.720 ( 2.203 -4.538 -0.285) 5.053 11.739 ( 1.083 -2.339 -1.931) 3.221 11.855 ( -2.097 1.776 1.945) 3.367 11.891 ( -4.378 -0.892 1.407) 4.684 12.010 ( 1.985 1.376 1.812) 3.020 12.080 ( -4.021 0.544 -0.249) 4.065 12.090 ( -6.582 -2.390 1.012) 7.075 12.111 ( -3.305 -4.131 4.462) 6.920 12.263 ( -0.084 3.737 -2.215) 4.345 12.295 ( -6.279 3.030 -0.279) 6.977 12.351 ( 1.365 1.075 1.096) 2.054 12.410 ( -2.925 -1.991 4.904) 6.047 12.444 ( -6.600 -0.175 11.117) 12.929 12.463 ( -8.888 -2.366 11.322) 14.587 12.624 ( 2.250 2.462 7.115) 7.858 12.677 ( 2.194 -2.181 1.216) 3.324 12.739 ( -4.267 4.586 -0.715) 6.305 12.817 ( -7.796 -3.896 -0.477) 8.728 12.899 ( -2.105 4.038 -3.442) 5.708 12.943 ( 2.809 1.605 -0.863) 3.349 13.021 ( -1.594 5.119 2.507) 5.918 13.053 ( -6.784 -4.027 1.688) 8.067 13.094 ( 2.383 1.783 4.307) 5.235 13.214 ( -0.306 -3.634 -0.914) 3.759 13.218 ( -1.195 1.425 1.986) 2.721 13.302 ( -1.847 -9.289 6.697) 11.599 13.552 ( 3.588 4.328 -1.560) 5.834 13.578 ( 2.428 2.312 -2.599) 4.242 13.662 ( -0.129 3.044 3.719) 4.808 13.727 ( -1.382 -2.962 -0.454) 3.300 13.839 ( -1.566 -1.424 -0.131) 2.121 13.874 ( 4.160 3.493 4.538) 7.078 13.896 ( -0.187 -7.002 3.861) 7.998 13.972 ( 2.245 -2.047 1.706) 3.485 14.146 ( 0.512 0.381 7.571) 7.598 14.181 ( 3.992 -2.950 3.074) 5.839 14.308 ( 6.142 4.967 -3.695) 8.720 14.360 ( 6.559 -0.007 -3.119) 7.263 14.458 ( 7.174 13.070 3.737) 15.370 14.821 ( 11.072 -26.009 -0.731) 28.277 15.408 ( -3.963 3.581 -4.222) 6.808 15.456 ( -5.331 -0.187 -3.589) 6.429 15.596 ( -4.135 3.263 -5.284) 7.461 15.638 ( -4.378 -1.182 -1.916) 4.922 15.728 ( -2.955 4.387 1.534) 5.507 15.807 ( -3.848 -3.504 -2.237) 5.664 15.812 ( -3.275 1.057 1.011) 3.587 15.837 ( -3.354 -1.302 -0.010) 3.598 16.417 ( 0.237 1.203 -0.595) 1.363 16.439 ( -0.187 -0.784 -0.431) 0.914 16.539 ( 6.656 4.391 -4.206) 9.015 16.620 ( 6.952 -3.284 -8.338) 11.342 16.833 ( -3.156 1.606 5.786) 6.783 16.928 ( 0.760 -10.225 4.182) 11.073 17.166 ( -4.458 0.740 -1.329) 4.710 17.181 ( -4.560 -0.765 -1.009) 4.733 19.889 ( 5.161 0.749 0.258) 5.221 19.900 ( 4.936 -0.343 0.105) 4.949 19.975 ( 11.625 2.753 -2.004) 12.113 20.070 ( 16.711 -7.846 -8.157) 20.183 20.658 ( -0.527 2.216 4.182) 4.762 20.752 ( -1.666 -10.175 9.285) 13.875 20.933 ( -0.875 0.341 -1.276) 1.585 20.946 ( -1.323 -0.748 0.075) 1.521 21.987 ( -1.154 7.218 0.489) 7.326 22.035 ( 2.383 -0.636 -1.296) 2.786 22.095 ( -3.797 1.962 -0.074) 4.275 22.120 ( -2.922 0.303 1.462) 3.281 22.292 ( 2.458 0.536 -2.259) 3.381 22.321 ( 2.164 -2.077 -2.744) 4.065 22.338 ( 4.683 -0.614 -2.536) 5.361 22.356 ( 5.116 -2.003 -3.665) 6.604 22.508 ( 1.166 3.416 2.051) 4.151 22.539 ( -0.173 -0.498 2.614) 2.667 22.630 ( -1.850 5.467 -0.365) 5.783 22.707 ( 1.763 -0.623 -1.158) 2.199 22.711 ( 2.575 0.425 0.099) 2.611 22.775 ( -1.817 -7.684 1.971) 8.138 23.078 ( -1.394 21.473 -25.857) 33.640 23.349 ( -7.781 -7.506 -15.784) 19.132 23.457 ( -0.544 5.031 -1.368) 5.242 23.571 ( 0.664 -5.919 -5.173) 7.889 23.944 ( -7.502 4.010 -7.784) 11.531 24.018 ( -4.599 -3.893 -6.230) 8.667 24.078 ( -4.240 1.870 1.438) 4.852 24.109 ( -3.786 -1.344 -0.932) 4.124 24.166 ( -1.143 1.824 3.729) 4.305 24.188 ( -0.955 -0.732 2.464) 2.743 24.664 ( -0.700 1.414 1.004) 1.871 24.690 ( -0.098 -0.782 0.547) 0.959 24.710 ( -0.085 0.110 1.744) 1.750 24.728 ( 0.728 -1.265 0.411) 1.516 24.898 ( -1.531 -1.054 2.153) 2.844 24.912 ( -1.270 -2.871 3.238) 4.510 25.112 ( -1.120 4.923 5.753) 7.654 25.159 ( -0.527 2.551 0.355) 2.629 25.417 ( -14.177 6.194 6.055) 16.614 25.545 ( -5.942 -4.689 -1.079) 7.646 25.624 ( -5.214 0.774 -0.126) 5.273 25.638 ( -5.334 -0.654 0.249) 5.380 25.744 ( -10.794 2.332 13.411) 17.372 25.872 ( -12.578 -12.591 7.501) 19.313 26.306 ( -8.879 7.098 -3.860) 12.005 26.404 ( -7.482 -3.791 -3.580) 9.120 ======================= Grid point 38 (18/40) ======================= q-point: ( 0.22 0.33 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.240 ( 23.377 4.261 13.261) 27.212 1.482 ( 16.569 -21.246 3.300) 27.144 1.843 ( 24.380 11.825 26.009) 37.559 2.111 ( 20.023 -16.162 19.856) 32.502 2.500 ( 19.575 25.802 2.605) 32.492 2.672 ( 8.461 13.586 10.173) 18.965 2.781 ( 29.651 15.375 5.443) 33.841 2.902 ( 8.907 -8.210 5.919) 13.482 2.975 ( 15.421 -16.650 0.821) 22.708 3.173 ( 23.803 -12.772 1.569) 27.058 3.314 ( 6.231 7.172 -4.697) 10.599 3.428 ( 7.786 -0.635 -9.250) 12.107 3.469 ( 8.567 2.333 -6.218) 10.840 3.648 ( 13.090 -3.037 -8.885) 16.109 3.689 ( 13.177 -5.275 -6.103) 15.450 3.703 ( 18.455 -4.244 -2.723) 19.131 3.829 ( 17.924 0.838 -4.206) 18.430 3.842 ( 22.277 -1.028 -4.445) 22.739 4.009 ( 13.799 4.073 -7.794) 16.363 4.086 ( 7.221 -4.964 -3.923) 9.600 4.333 ( 9.490 2.254 1.529) 9.873 4.373 ( 10.428 -2.383 1.245) 10.768 4.457 ( 8.805 8.112 -4.124) 12.663 4.501 ( -5.078 1.702 4.912) 7.267 4.563 ( -0.127 8.440 4.673) 9.649 4.628 ( -8.317 -2.616 8.172) 11.950 4.679 ( -0.012 -3.124 10.969) 11.405 4.725 ( -6.353 -5.203 1.267) 8.308 4.787 ( -6.028 -0.843 4.569) 7.610 4.827 ( -3.682 -0.072 4.865) 6.102 4.851 ( -0.528 -3.488 1.460) 3.818 4.859 ( 3.192 -6.071 3.421) 7.665 4.986 ( -5.876 4.971 6.292) 9.941 5.063 ( -8.414 -1.726 1.525) 8.723 5.109 ( 0.937 3.960 4.460) 6.038 5.129 ( -7.165 0.342 0.597) 7.198 5.169 ( -5.440 2.211 4.389) 7.331 5.240 ( 3.276 -7.000 8.746) 11.671 5.360 ( -4.617 3.370 -5.019) 7.607 5.401 ( -5.295 0.188 -1.933) 5.640 5.496 ( -2.811 1.542 -1.708) 3.633 5.514 ( -0.188 -0.755 3.347) 3.436 5.681 ( -1.776 3.632 -3.390) 5.276 5.744 ( 0.987 -4.123 1.985) 4.681 5.813 ( -0.692 2.403 -3.479) 4.284 5.884 ( -0.173 0.278 -0.578) 0.665 6.011 ( -2.265 6.814 3.801) 8.124 6.113 ( -4.763 5.435 -0.058) 7.227 6.182 ( 0.218 -3.527 -2.011) 4.066 6.215 ( -4.660 4.494 -7.578) 9.967 6.312 ( -0.237 5.280 7.958) 9.554 6.377 ( -0.522 -3.032 -4.408) 5.375 6.422 ( -4.302 -3.056 0.232) 5.282 6.487 ( -6.738 -4.518 1.527) 8.255 6.583 ( -3.132 -2.198 -4.418) 5.844 6.628 ( 4.149 -1.374 -1.438) 4.601 6.646 ( -4.374 3.804 -1.727) 6.048 6.730 ( -1.278 -5.668 -2.262) 6.235 6.762 ( -8.297 -0.785 0.236) 8.337 6.798 ( -0.121 -4.234 2.828) 5.093 6.924 ( 4.607 3.734 -3.817) 7.052 6.993 ( 5.571 -4.820 -8.623) 11.342 7.039 ( 1.166 -0.616 -2.788) 3.084 7.058 ( -5.167 4.724 1.221) 7.106 7.165 ( 8.008 2.288 -7.484) 11.197 7.195 ( 1.917 -3.706 4.432) 6.087 7.227 ( 2.029 -0.846 -4.823) 5.300 7.258 ( -1.719 -4.181 -3.534) 5.738 7.367 ( 0.671 3.567 -1.603) 3.968 7.415 ( 2.755 -0.717 -4.496) 5.321 7.446 ( 6.316 -1.999 -1.157) 6.725 7.470 ( 1.064 -3.491 -0.587) 3.696 7.636 ( 2.369 6.021 -7.579) 9.965 7.688 ( -0.279 -0.381 -5.237) 5.259 7.706 ( -1.203 4.483 -8.972) 10.102 7.795 ( 0.970 -4.158 -9.191) 10.134 7.798 ( 0.126 3.544 -5.052) 6.173 7.876 ( -0.419 -4.652 -9.030) 10.167 7.919 ( -0.734 11.284 -4.334) 12.110 8.047 ( 2.789 -0.683 -2.915) 4.092 8.126 ( 1.551 10.697 -0.547) 10.823 8.238 ( 2.763 1.262 2.624) 4.014 8.310 ( 1.828 6.626 0.839) 6.924 8.343 ( 2.984 1.468 -3.760) 5.020 8.416 ( -7.762 1.278 -1.650) 8.038 8.459 ( 2.538 -6.462 -1.066) 7.024 8.524 ( 1.357 -11.080 -3.302) 11.641 8.534 ( 3.370 -11.400 2.204) 12.091 8.637 ( -3.835 3.293 5.080) 7.166 8.682 ( 3.016 -0.995 -1.794) 3.648 8.830 ( -1.094 -0.647 2.845) 3.116 8.839 ( 1.284 -1.573 -2.665) 3.351 9.050 ( -0.027 0.810 -4.120) 4.199 9.075 ( 2.251 1.298 -2.374) 3.520 9.104 ( 0.200 -0.145 0.475) 0.536 9.156 ( 1.382 -2.536 1.737) 3.370 9.246 ( 3.986 0.764 2.925) 5.003 9.294 ( 2.243 -3.910 -0.126) 4.509 9.417 ( 1.538 1.363 5.312) 5.696 9.432 ( 1.365 2.221 3.360) 4.253 9.509 ( 0.566 1.198 -0.222) 1.343 9.562 ( -0.497 0.057 -0.586) 0.771 9.595 ( -1.515 5.841 3.306) 6.880 9.675 ( -2.756 1.481 5.994) 6.761 9.739 ( -2.973 0.384 3.276) 4.440 9.773 ( -5.317 4.175 -2.508) 7.211 9.788 ( 0.984 0.867 0.508) 1.406 9.832 ( -1.337 -4.286 -0.545) 4.523 9.924 ( 6.692 4.946 -4.151) 9.300 9.994 ( -0.864 -2.414 4.036) 4.782 10.012 ( -0.266 -2.006 5.744) 6.090 10.055 ( 0.548 -5.023 -0.653) 5.095 10.158 ( 1.669 3.748 4.928) 6.413 10.219 ( -0.006 -3.180 2.515) 4.055 10.434 ( 6.394 1.116 3.835) 7.539 10.509 ( 6.585 -4.653 0.018) 8.063 10.562 ( 7.693 2.199 0.976) 8.061 10.618 ( 9.760 -2.343 -0.344) 10.044 10.697 ( 10.052 2.222 -5.734) 11.784 10.734 ( 6.736 -2.163 -3.779) 8.020 10.756 ( 4.477 1.239 -2.215) 5.146 10.806 ( 6.238 -3.505 -2.942) 7.737 10.887 ( 5.552 2.671 1.102) 6.259 10.907 ( 8.022 0.668 -0.456) 8.062 11.039 ( 4.354 2.529 -1.043) 5.142 11.075 ( 3.780 -0.647 -2.607) 4.637 11.092 ( 1.537 3.350 2.272) 4.330 11.162 ( 0.811 1.568 -1.829) 2.542 11.196 ( -0.367 2.670 2.635) 3.769 11.302 ( -2.465 1.756 -1.423) 3.344 11.345 ( 1.981 -4.159 -2.776) 5.378 11.355 ( -4.636 -5.320 -3.320) 7.799 11.484 ( -1.899 -0.488 2.206) 2.951 11.503 ( 0.275 -1.043 1.116) 1.552 11.550 ( -2.207 3.784 -0.592) 4.421 11.609 ( -5.446 1.073 0.010) 5.551 11.648 ( -16.050 0.680 0.688) 16.079 11.696 ( -10.622 -3.796 -1.094) 11.332 11.738 ( -5.876 -0.520 2.667) 6.474 11.761 ( -4.974 2.281 1.489) 5.671 11.833 ( -8.855 -2.171 8.261) 12.303 11.856 ( -9.754 -3.023 5.929) 11.809 12.053 ( -5.277 1.059 2.417) 5.900 12.096 ( 0.837 -1.615 2.332) 2.958 12.104 ( -8.798 4.314 3.210) 10.311 12.161 ( -9.258 -0.223 4.609) 10.344 12.225 ( -7.633 0.439 13.150) 15.211 12.256 ( -9.193 -1.497 5.726) 10.933 12.359 ( -1.853 2.619 -0.067) 3.209 12.426 ( -3.101 -3.941 -0.878) 5.091 12.580 ( -6.531 1.534 2.872) 7.297 12.629 ( -6.284 -2.199 4.529) 8.052 12.695 ( -0.967 2.758 5.265) 6.022 12.758 ( -0.950 -2.430 4.179) 4.926 12.787 ( -4.284 8.655 -1.351) 9.751 12.932 ( -2.409 -2.136 -0.090) 3.221 12.982 ( -0.542 -2.306 0.435) 2.409 13.014 ( 1.968 -2.993 0.098) 3.583 13.187 ( -2.985 0.578 -0.441) 3.072 13.189 ( 1.567 1.258 0.313) 2.034 13.204 ( 5.652 3.286 -0.525) 6.559 13.300 ( 1.269 -6.313 1.455) 6.602 13.583 ( 0.647 3.522 0.388) 3.602 13.611 ( -0.028 1.342 -3.328) 3.589 13.682 ( -1.737 0.784 0.599) 1.997 13.707 ( 1.721 2.050 0.881) 2.818 13.780 ( -3.405 -1.677 0.724) 3.864 13.842 ( -2.491 -4.549 1.472) 5.391 13.997 ( 6.388 3.336 3.188) 7.880 14.085 ( 7.108 -4.579 -0.466) 8.468 14.213 ( 4.759 1.823 4.837) 7.027 14.288 ( 5.360 -5.419 1.646) 7.797 14.454 ( 7.363 5.741 -4.685) 10.446 14.511 ( 7.579 0.367 -4.630) 8.889 14.606 ( 6.445 15.076 -0.928) 16.422 14.950 ( 2.952 -19.667 -5.330) 20.589 15.327 ( -3.304 3.175 -1.729) 4.897 15.358 ( -3.863 1.138 -1.902) 4.454 15.509 ( -4.335 -0.334 -3.690) 5.702 15.531 ( -5.607 -1.763 -2.214) 6.281 15.635 ( -5.653 3.147 2.211) 6.838 15.684 ( -7.249 -2.255 0.621) 7.617 15.719 ( -5.240 1.508 0.325) 5.463 15.749 ( -5.032 -1.502 -0.096) 5.252 16.411 ( -0.709 0.567 -0.374) 0.982 16.428 ( -0.886 -0.758 -0.163) 1.178 16.611 ( -0.520 3.128 -4.082) 5.169 16.634 ( -3.196 0.147 -1.749) 3.646 16.750 ( -4.379 5.020 3.385) 7.472 16.900 ( -4.105 -9.521 -3.209) 10.854 17.037 ( -7.634 0.495 -1.463) 7.789 17.049 ( -7.800 -0.660 -1.235) 7.925 20.030 ( 8.088 0.557 0.815) 8.148 20.038 ( 8.018 -0.267 0.546) 8.041 20.234 ( 11.877 4.962 -4.091) 13.507 20.350 ( 9.937 -6.667 -9.177) 15.080 20.640 ( -1.273 1.904 3.933) 4.551 20.711 ( -2.183 -6.677 6.500) 9.571 20.901 ( -2.298 -0.243 -1.035) 2.533 20.904 ( -2.758 -0.287 -0.383) 2.799 21.962 ( -1.478 11.332 0.779) 11.455 22.019 ( -2.756 -0.105 0.455) 2.795 22.024 ( -2.915 0.721 0.097) 3.004 22.118 ( 0.561 -4.462 0.336) 4.510 22.270 ( -3.262 0.684 -1.897) 3.835 22.291 ( -4.307 -1.327 -1.801) 4.854 22.408 ( -0.559 0.974 -3.899) 4.057 22.429 ( 0.243 -0.935 -2.656) 2.827 22.567 ( 5.691 3.039 0.242) 6.457 22.609 ( 4.427 -0.917 3.543) 5.744 22.669 ( 7.345 1.203 2.164) 7.751 22.740 ( 2.585 -5.959 0.145) 6.497 22.766 ( 2.875 0.601 0.498) 2.979 22.784 ( 3.252 -1.152 0.376) 3.470 23.022 ( -3.188 8.569 -13.151) 16.017 23.183 ( -7.094 -8.110 -11.782) 15.965 23.444 ( -0.600 6.320 -4.560) 7.817 23.559 ( -1.635 -5.577 -5.711) 8.148 23.759 ( -9.176 7.367 -7.324) 13.860 23.875 ( -8.332 -5.156 -6.129) 11.557 23.967 ( -6.195 2.407 4.541) 8.049 24.013 ( -5.568 -2.455 6.405) 8.835 24.130 ( -2.647 1.289 1.660) 3.380 24.145 ( -3.671 -0.370 1.951) 4.174 24.639 ( -1.628 1.137 0.785) 2.135 24.665 ( -1.938 -1.598 1.437) 2.894 24.709 ( -0.808 0.845 2.942) 3.166 24.730 ( -1.331 -1.529 1.657) 2.618 24.866 ( -0.833 0.200 4.462) 4.543 24.877 ( -1.129 -1.220 3.732) 4.085 25.092 ( -0.623 2.266 1.163) 2.622 25.135 ( -2.011 -1.557 2.161) 3.337 25.177 ( -6.515 11.658 -0.270) 13.358 25.390 ( -7.695 -9.102 -4.697) 12.811 25.495 ( -6.426 0.630 -0.918) 6.522 25.503 ( -6.872 -0.213 -0.938) 6.939 25.571 ( -7.488 0.925 9.264) 11.948 25.631 ( -10.188 -7.396 7.353) 14.579 26.063 ( -13.367 8.888 -2.469) 16.242 26.185 ( -12.815 -4.738 -3.222) 14.037 ======================= Grid point 39 (19/40) ======================= q-point: ( 0.33 0.33 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 26.700 1.326 7.919) 27.881 1.896 ( 22.262 -13.789 0.126) 26.187 2.378 ( 26.693 9.710 19.028) 34.188 2.539 ( 20.295 -4.740 11.641) 23.872 2.798 ( 8.957 15.764 2.524) 18.306 2.860 ( 10.310 9.898 1.320) 14.353 3.011 ( 5.161 -9.430 3.010) 11.163 3.246 ( 8.933 -16.379 -6.170) 19.650 3.422 ( 13.316 2.222 -4.426) 14.207 3.445 ( 6.834 4.807 -5.951) 10.258 3.480 ( 4.928 0.286 -4.424) 6.628 3.610 ( 13.931 -7.415 -2.870) 16.040 3.685 ( 7.011 11.003 -4.623) 13.842 3.819 ( 0.072 -2.238 -9.688) 9.943 3.880 ( 4.434 2.863 -4.272) 6.790 3.949 ( -1.275 -2.652 -5.284) 6.048 4.023 ( 6.795 1.041 -3.363) 7.653 4.059 ( -0.687 -2.394 1.085) 2.717 4.118 ( 1.140 3.673 -0.555) 3.886 4.181 ( -2.275 -3.029 -1.391) 4.035 4.253 ( -8.751 2.480 2.547) 9.446 4.298 ( -9.983 -0.361 3.283) 10.516 4.440 ( 4.410 -1.169 3.166) 5.553 4.500 ( 4.342 -5.813 3.017) 7.858 4.577 ( 1.270 1.329 3.633) 4.072 4.634 ( 1.181 -3.611 2.322) 4.452 4.720 ( -0.219 1.877 2.215) 2.912 4.725 ( -4.680 2.094 5.761) 7.712 4.775 ( -1.746 3.936 1.923) 4.716 4.789 ( -0.383 0.754 3.213) 3.322 4.861 ( -1.164 -4.134 2.004) 4.740 4.939 ( 10.196 -2.617 1.872) 10.692 4.981 ( 2.106 -5.445 7.201) 9.271 5.009 ( 9.574 -1.170 4.072) 10.469 5.120 ( 8.314 7.364 -1.357) 11.189 5.188 ( 2.755 -1.452 -1.403) 3.416 5.202 ( 9.760 3.327 0.525) 10.325 5.295 ( 5.797 -4.343 -4.272) 8.409 5.347 ( -2.889 5.395 5.071) 7.947 5.428 ( 2.682 2.368 0.029) 3.578 5.457 ( -1.266 -3.613 3.012) 4.872 5.518 ( 13.115 -4.664 1.696) 14.023 5.685 ( 4.157 6.793 -0.732) 7.997 5.720 ( -5.759 3.901 5.976) 9.170 5.781 ( -2.062 -0.899 0.167) 2.256 5.912 ( 3.928 -5.211 3.699) 7.501 5.988 ( -6.537 3.929 1.831) 7.844 6.008 ( -0.606 0.723 4.587) 4.683 6.119 ( 2.055 3.684 -2.385) 4.846 6.185 ( -3.437 -1.507 -3.319) 5.010 6.253 ( 0.971 3.430 2.994) 4.655 6.309 ( -3.286 -0.229 2.060) 3.885 6.368 ( -2.138 -0.781 -3.444) 4.129 6.410 ( -8.750 0.059 3.464) 9.410 6.451 ( -8.762 -0.381 6.168) 10.722 6.542 ( -2.678 0.022 0.572) 2.738 6.555 ( 2.712 -5.946 1.830) 6.787 6.658 ( -5.512 -7.664 -1.795) 9.609 6.775 ( 3.630 7.081 0.032) 7.957 6.874 ( -0.120 1.109 -2.952) 3.156 6.944 ( -2.673 2.796 0.427) 3.891 7.007 ( -0.005 -6.367 -1.680) 6.585 7.094 ( 5.307 5.513 -3.438) 8.390 7.174 ( -0.123 -1.683 -3.339) 3.741 7.203 ( 7.357 1.934 -6.872) 10.251 7.273 ( 2.429 -4.566 -6.666) 8.437 7.292 ( 1.529 -4.731 -4.472) 6.687 7.352 ( 5.903 0.649 -1.288) 6.077 7.383 ( -2.869 6.104 -7.639) 10.191 7.415 ( 3.293 -0.006 -9.350) 9.913 7.476 ( -8.131 -3.619 -0.425) 8.910 7.577 ( 2.424 -8.948 -2.952) 9.729 7.593 ( -4.319 2.522 -5.302) 7.289 7.648 ( 0.114 -3.855 -12.218) 12.812 7.709 ( -3.503 8.727 -6.659) 11.522 7.770 ( 2.967 0.692 1.314) 3.318 7.804 ( 0.230 -1.162 -0.938) 1.511 7.845 ( -1.052 -3.806 -5.452) 6.732 7.995 ( 3.765 6.855 1.649) 7.992 8.141 ( 1.253 9.124 2.637) 9.580 8.184 ( 3.806 -3.244 1.568) 5.241 8.253 ( 0.310 6.461 -3.325) 7.274 8.274 ( -2.149 0.371 -2.067) 3.005 8.350 ( 0.513 11.426 0.726) 11.460 8.424 ( -5.566 -6.980 -3.506) 9.591 8.459 ( 12.674 1.765 -8.512) 15.369 8.538 ( -3.636 1.564 3.133) 5.048 8.585 ( 8.693 -8.004 -4.054) 12.493 8.678 ( 5.106 -7.317 4.099) 9.819 8.758 ( 6.629 -13.962 3.396) 15.824 8.910 ( 10.802 5.978 -5.575) 13.547 8.998 ( 8.830 -3.609 -3.705) 10.233 9.074 ( 2.176 0.982 -0.004) 2.387 9.140 ( 4.639 4.404 -4.482) 7.810 9.145 ( 5.087 -4.345 2.206) 7.044 9.219 ( 3.741 -2.700 1.047) 4.731 9.309 ( -4.594 0.373 3.661) 5.886 9.333 ( 0.719 -1.267 -1.503) 2.093 9.362 ( 0.790 1.784 7.751) 7.993 9.399 ( -3.959 3.268 4.388) 6.754 9.417 ( -1.866 1.623 2.964) 3.860 9.507 ( -2.069 -0.039 -2.730) 3.426 9.595 ( -2.039 5.991 1.306) 6.462 9.648 ( -3.296 2.078 0.626) 3.946 9.670 ( -2.740 4.313 -2.562) 5.716 9.735 ( 5.418 1.000 0.706) 5.555 9.766 ( 3.295 -1.745 3.733) 5.276 9.818 ( -3.566 -7.698 3.469) 9.166 9.951 ( -2.863 1.355 5.683) 6.507 9.977 ( -1.319 -0.921 7.033) 7.214 10.052 ( 0.744 4.788 2.809) 5.601 10.154 ( 8.558 -5.720 -10.042) 14.381 10.261 ( 2.467 2.914 -0.141) 3.821 10.315 ( 8.028 -3.009 -0.729) 8.604 10.516 ( 0.690 5.323 -3.897) 6.633 10.627 ( 2.643 -5.697 -2.382) 6.716 10.706 ( 1.483 1.075 2.217) 2.875 10.742 ( 2.032 -2.305 0.244) 3.082 10.808 ( -2.099 0.143 -1.681) 2.693 10.819 ( 1.577 0.985 0.691) 1.984 10.873 ( 5.024 1.850 -4.496) 6.991 10.927 ( -0.081 0.901 -2.185) 2.365 10.966 ( -3.682 1.323 -4.297) 5.811 11.038 ( -2.588 -2.237 -1.983) 3.954 11.081 ( -2.946 1.050 -1.826) 3.622 11.088 ( 3.533 4.232 0.842) 5.577 11.133 ( 0.683 -3.691 -2.460) 4.488 11.184 ( -0.283 2.943 0.290) 2.971 11.200 ( -7.160 2.101 3.577) 8.275 11.221 ( 3.377 -0.188 -0.499) 3.419 11.241 ( -2.661 -2.036 1.543) 3.689 11.286 ( -7.759 -6.668 0.339) 10.236 11.309 ( 3.197 4.127 -1.559) 5.448 11.386 ( -2.861 -4.635 -2.643) 6.054 11.441 ( -5.348 0.566 0.530) 5.404 11.492 ( -5.974 -3.364 3.507) 7.701 11.506 ( -5.887 1.083 -1.946) 6.294 11.542 ( -2.527 -0.594 2.962) 3.938 11.607 ( -0.852 3.202 -2.769) 4.318 11.661 ( -6.114 -0.139 -1.634) 6.330 11.738 ( -2.328 1.312 6.007) 6.575 11.798 ( -0.876 -3.129 8.297) 8.910 11.850 ( -6.122 3.160 11.217) 13.164 11.913 ( -7.967 -3.491 9.166) 12.637 11.985 ( -5.499 4.215 -0.908) 6.988 12.075 ( -3.102 -4.826 5.334) 7.833 12.128 ( -2.462 3.184 1.759) 4.392 12.189 ( 0.307 -2.869 4.834) 5.630 12.303 ( -2.281 3.656 1.732) 4.644 12.349 ( -3.479 -1.296 6.604) 7.576 12.490 ( -4.003 1.414 4.653) 6.299 12.519 ( -4.816 -0.495 3.152) 5.777 12.578 ( -7.014 4.048 5.304) 9.680 12.680 ( -4.051 -6.923 2.469) 8.392 12.691 ( -5.144 9.892 1.725) 11.282 12.880 ( -4.515 -10.154 -0.398) 11.120 12.982 ( 1.187 5.274 -1.822) 5.705 13.060 ( -0.576 -2.907 -1.943) 3.544 13.151 ( -0.507 3.048 1.421) 3.401 13.204 ( -1.814 -2.523 3.563) 4.728 13.298 ( 2.027 2.717 1.237) 3.609 13.360 ( 7.248 -3.779 -0.818) 8.215 13.579 ( -2.933 2.780 -2.654) 4.835 13.624 ( 1.889 -1.332 -2.079) 3.109 13.650 ( 0.621 1.195 1.389) 1.935 13.696 ( -2.257 -3.941 1.335) 4.734 13.753 ( 0.938 3.523 0.018) 3.645 13.812 ( -1.123 -2.338 -0.602) 2.663 14.133 ( 6.372 5.138 1.692) 8.358 14.232 ( 6.296 -3.510 -0.842) 7.257 14.300 ( 3.294 0.193 3.401) 4.738 14.381 ( 3.260 -6.351 0.782) 7.182 14.598 ( 6.309 6.325 -4.964) 10.220 14.663 ( 6.804 2.951 -5.853) 9.448 14.720 ( 4.637 9.001 -3.715) 10.785 14.978 ( -0.142 -14.016 -7.087) 15.707 15.275 ( -1.653 2.953 -0.491) 3.419 15.310 ( -0.530 0.087 -0.019) 0.537 15.416 ( -4.662 -0.577 -1.883) 5.061 15.427 ( -4.016 -1.851 -0.582) 4.460 15.517 ( -4.979 1.488 1.642) 5.450 15.536 ( -6.443 -0.649 1.885) 6.745 15.604 ( -5.692 1.604 -0.038) 5.914 15.634 ( -5.830 -1.472 -0.420) 6.027 16.391 ( -1.072 0.885 -0.138) 1.397 16.409 ( -0.691 -0.850 0.245) 1.123 16.533 ( -5.158 0.871 1.853) 5.549 16.552 ( -4.839 -0.993 1.125) 5.066 16.670 ( -2.943 5.982 -1.997) 6.959 16.783 ( -6.032 -5.601 -4.225) 9.253 16.869 ( -7.988 0.265 -1.780) 8.188 16.876 ( -8.412 -0.362 -1.626) 8.575 20.209 ( 8.759 0.549 1.160) 8.853 20.217 ( 8.865 -0.286 0.807) 8.906 20.440 ( 7.772 3.075 -4.088) 9.304 20.497 ( 4.438 -2.498 -5.274) 7.331 20.603 ( -2.121 1.904 3.305) 4.364 20.664 ( -2.131 -4.651 2.908) 5.885 20.831 ( -4.286 0.177 -0.917) 4.386 20.837 ( -3.913 -0.568 -1.061) 4.094 21.927 ( -1.660 9.677 0.832) 9.854 21.964 ( -2.443 0.739 0.914) 2.710 21.978 ( -1.495 -0.397 0.097) 1.550 22.083 ( -3.450 -5.959 -0.672) 6.919 22.198 ( -3.710 0.412 -0.534) 3.771 22.204 ( -2.537 -0.312 -0.763) 2.667 22.328 ( -5.258 0.723 -2.173) 5.735 22.358 ( -6.072 -1.771 -1.762) 6.566 22.704 ( 6.362 0.199 -0.274) 6.371 22.717 ( 5.419 -0.965 1.689) 5.757 22.818 ( 4.202 1.038 -1.968) 4.755 22.847 ( 5.941 -2.344 -0.046) 6.387 22.852 ( 6.140 0.701 0.399) 6.193 22.880 ( 5.036 -1.857 0.018) 5.367 23.003 ( 2.706 4.612 -2.469) 5.890 23.089 ( -1.712 -5.087 -4.620) 7.082 23.445 ( 1.148 4.791 -4.583) 6.728 23.511 ( -2.391 -0.479 -3.698) 4.430 23.617 ( -3.489 3.569 -6.217) 7.973 23.709 ( -6.668 -5.052 -5.572) 10.052 23.831 ( -6.781 2.596 4.457) 8.519 23.878 ( -7.137 -2.471 5.622) 9.415 24.021 ( -8.405 0.863 0.674) 8.476 24.034 ( -7.035 -0.514 -0.208) 7.056 24.602 ( -1.615 0.810 2.219) 2.862 24.621 ( -2.012 -1.094 2.705) 3.544 24.664 ( -2.855 0.461 2.891) 4.089 24.675 ( -3.093 -0.734 1.637) 3.576 24.886 ( 2.445 0.516 1.580) 2.956 24.896 ( 2.679 -0.614 0.820) 2.868 25.071 ( -2.399 3.642 -1.195) 4.522 25.096 ( -0.367 -0.246 0.605) 0.749 25.128 ( 0.172 3.550 0.188) 3.559 25.255 ( -5.226 -7.827 -3.194) 9.938 25.387 ( -3.729 0.359 -0.448) 3.773 25.394 ( -3.539 -0.880 0.180) 3.651 25.421 ( -6.353 0.918 5.221) 8.274 25.451 ( -6.266 -2.535 3.541) 7.630 25.787 ( -12.733 8.082 -1.266) 15.135 25.905 ( -13.581 -4.805 -2.462) 14.614 ======================= Grid point 40 (20/40) ======================= q-point: ( 0.44 0.33 0.17) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 81 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.326 ( 26.671 -1.082 5.609) 27.276 2.372 ( 22.845 -7.220 0.444) 23.963 2.761 ( -10.816 2.666 3.594) 11.705 2.802 ( -9.892 -0.017 2.247) 10.144 2.931 ( 21.321 2.904 8.422) 23.107 2.983 ( 4.599 0.193 1.917) 4.986 3.084 ( 7.479 10.954 1.612) 13.361 3.319 ( -2.855 -7.945 -5.113) 9.870 3.423 ( 0.836 3.996 -3.924) 5.662 3.484 ( -1.826 -1.129 -0.566) 2.220 3.568 ( -8.467 -0.785 -5.912) 10.357 3.603 ( -4.398 -5.571 -4.995) 8.679 3.795 ( 1.627 5.144 -6.407) 8.376 3.816 ( 8.315 5.642 -5.813) 11.609 3.891 ( -1.426 -0.010 -0.937) 1.707 3.938 ( -5.227 -0.109 -2.434) 5.767 3.951 ( 4.801 -2.367 -4.422) 6.943 4.012 ( -2.935 -3.155 -5.415) 6.920 4.054 ( -8.331 -0.566 -0.728) 8.382 4.068 ( -7.090 -1.259 1.018) 7.272 4.298 ( 7.684 5.606 0.975) 9.561 4.367 ( 3.304 -1.533 -2.192) 4.251 4.462 ( -2.480 -1.763 2.472) 3.921 4.512 ( 0.296 3.476 5.375) 6.408 4.554 ( -6.251 -1.104 8.232) 10.396 4.578 ( 4.352 -8.051 0.361) 9.159 4.623 ( -6.004 -0.152 5.495) 8.140 4.699 ( -3.256 -7.706 4.003) 9.274 4.861 ( 7.747 2.264 -1.377) 8.187 4.884 ( 10.663 3.175 1.054) 11.175 4.948 ( 5.866 -0.292 3.376) 6.775 5.012 ( -2.071 -1.559 2.922) 3.906 5.079 ( 0.672 3.742 -2.152) 4.369 5.123 ( 3.188 3.289 2.299) 5.125 5.177 ( -3.167 0.085 1.825) 3.656 5.243 ( -7.629 0.616 0.497) 7.670 5.257 ( 11.320 2.184 3.943) 12.184 5.323 ( 7.982 -1.307 1.455) 8.218 5.488 ( -0.468 4.819 2.484) 5.442 5.551 ( -9.572 -2.583 0.986) 9.963 5.560 ( 0.259 1.269 2.057) 2.431 5.669 ( 5.078 3.277 -0.658) 6.079 5.670 ( 4.692 -5.689 1.746) 7.578 5.793 ( 4.626 -4.645 1.787) 6.795 5.819 ( 9.505 0.567 1.688) 9.670 5.861 ( 6.981 -2.359 2.087) 7.658 6.047 ( 6.813 1.645 1.783) 7.232 6.087 ( -3.054 2.370 0.961) 3.983 6.111 ( -1.812 -1.756 1.293) 2.835 6.147 ( 0.681 -2.942 2.017) 3.631 6.279 ( 0.860 5.287 -2.190) 5.787 6.299 ( 4.169 4.660 1.911) 6.538 6.322 ( -4.710 -0.544 -0.306) 4.751 6.359 ( 4.491 1.887 3.587) 6.049 6.454 ( 2.668 -2.267 -0.660) 3.563 6.474 ( -4.246 1.750 2.092) 5.046 6.522 ( 2.782 -2.727 0.901) 3.999 6.629 ( 2.543 -5.349 1.289) 6.061 6.766 ( -8.854 2.900 2.249) 9.584 6.827 ( -15.495 -2.594 -0.880) 15.735 6.886 ( 2.729 5.952 1.410) 6.698 6.915 ( 4.194 3.771 -0.755) 5.690 7.035 ( -9.475 -1.382 -2.779) 9.970 7.063 ( -9.080 -2.896 -2.065) 9.752 7.207 ( 1.965 4.651 1.900) 5.394 7.293 ( -3.240 1.522 -1.034) 3.726 7.356 ( 3.460 -6.035 -4.864) 8.488 7.376 ( 4.944 10.120 -5.063) 12.349 7.411 ( 2.919 -8.771 -1.166) 9.317 7.493 ( 1.510 -0.550 -4.629) 4.901 7.523 ( -2.647 6.029 -8.165) 10.489 7.532 ( 1.927 -3.041 -5.356) 6.453 7.568 ( -4.130 1.856 -4.522) 6.399 7.612 ( -0.417 -6.438 -1.800) 6.697 7.634 ( 2.506 -9.677 -12.404) 15.931 7.740 ( -4.397 -5.817 -5.194) 8.953 7.857 ( 2.318 2.906 -0.635) 3.771 7.885 ( 4.040 -0.565 -3.223) 5.199 7.981 ( -4.985 -3.424 1.120) 6.150 8.016 ( -5.126 -6.271 -0.638) 8.124 8.250 ( 2.251 11.346 -4.051) 12.256 8.286 ( -0.330 8.817 -7.222) 11.402 8.317 ( 2.777 9.529 -1.497) 10.038 8.339 ( -0.685 11.301 -1.542) 11.426 8.394 ( 2.639 2.359 -2.571) 4.375 8.466 ( -3.460 -0.696 -0.384) 3.550 8.662 ( 4.927 -13.961 2.159) 14.962 8.686 ( 1.343 -16.639 1.738) 16.783 8.945 ( 13.688 0.267 -1.108) 13.735 8.985 ( 9.827 -3.211 0.782) 10.368 9.044 ( 1.500 2.007 2.687) 3.674 9.085 ( 1.622 -1.111 4.097) 4.544 9.138 ( -3.104 3.496 3.289) 5.716 9.171 ( -5.673 -0.948 3.658) 6.817 9.195 ( -0.605 -0.054 1.060) 1.221 9.215 ( 1.649 0.196 0.887) 1.883 9.341 ( 7.290 1.524 -1.202) 7.544 9.391 ( 11.683 -1.772 -2.403) 12.058 9.395 ( 6.629 6.270 -2.648) 9.501 9.433 ( 3.758 7.352 0.527) 8.273 9.497 ( 1.117 -0.946 0.017) 1.464 9.526 ( -1.500 -0.948 -3.600) 4.014 9.626 ( 0.476 0.460 -6.151) 6.186 9.664 ( 13.760 7.119 0.611) 15.504 9.695 ( -6.831 -7.664 1.286) 10.347 9.734 ( 5.748 0.548 0.823) 5.832 9.791 ( 2.794 -0.457 3.753) 4.701 9.862 ( 6.509 -6.645 1.298) 9.392 9.967 ( 1.936 -0.836 4.903) 5.337 9.988 ( 3.659 -0.626 4.412) 5.766 10.075 ( -10.682 3.184 3.313) 11.629 10.142 ( -0.527 3.728 3.105) 4.880 10.166 ( -8.828 -1.776 3.458) 9.646 10.238 ( -14.054 -2.437 4.314) 14.902 10.353 ( -13.565 3.496 -2.827) 14.290 10.435 ( -19.449 -3.196 -0.754) 19.724 10.603 ( 7.155 5.852 -11.581) 14.818 10.723 ( 2.456 -6.299 -6.868) 9.638 10.794 ( -8.053 2.646 -5.375) 10.037 10.810 ( -9.365 0.424 -7.042) 11.725 10.874 ( 1.432 5.108 -1.037) 5.405 10.905 ( 0.483 4.575 -1.855) 4.960 10.974 ( 5.680 -2.495 -0.589) 6.231 10.994 ( 3.202 -5.234 -0.988) 6.215 11.023 ( -0.537 -0.129 0.408) 0.687 11.103 ( -1.378 0.185 -0.270) 1.416 11.113 ( -3.857 -4.427 -0.583) 5.900 11.143 ( -4.462 -4.770 3.968) 7.643 11.201 ( 4.262 2.311 -4.026) 6.302 11.247 ( 3.765 -1.253 -1.735) 4.331 11.294 ( 1.720 3.080 1.254) 3.744 11.312 ( 3.983 0.953 5.731) 7.044 11.341 ( -0.799 -0.472 -1.035) 1.390 11.353 ( 5.590 -1.559 -0.375) 5.815 11.405 ( -2.429 2.952 -2.643) 4.648 11.438 ( -0.005 -0.426 -3.176) 3.204 11.467 ( -1.444 -0.350 2.542) 2.944 11.529 ( 0.102 -3.070 -0.910) 3.203 11.541 ( -4.073 0.057 1.315) 4.280 11.561 ( -6.690 -1.379 -0.231) 6.834 11.722 ( 2.698 3.566 9.781) 10.754 11.769 ( 0.410 5.054 12.298) 13.302 11.814 ( 1.556 -3.935 6.528) 7.780 11.889 ( 0.044 -5.157 10.901) 12.059 11.949 ( 2.651 4.557 -4.236) 6.763 12.038 ( 1.550 -4.461 0.342) 4.735 12.069 ( -5.327 3.536 -2.567) 6.890 12.140 ( -5.382 -4.057 -0.597) 6.766 12.287 ( 0.820 2.801 9.051) 9.510 12.319 ( 2.049 0.316 10.690) 10.889 12.374 ( -5.003 2.337 8.619) 10.236 12.428 ( -5.058 -2.258 7.306) 9.168 12.506 ( 0.313 7.450 1.484) 7.603 12.575 ( -5.099 9.626 1.434) 10.987 12.665 ( 2.900 -8.309 0.839) 8.840 12.768 ( -5.908 -10.370 0.762) 11.959 13.012 ( 2.284 4.280 -2.324) 5.379 13.064 ( 1.123 0.122 -0.884) 1.435 13.096 ( -3.845 1.206 0.522) 4.064 13.130 ( -3.194 -1.195 0.435) 3.438 13.395 ( 5.240 3.379 2.225) 6.620 13.483 ( 1.975 -3.091 -0.413) 3.691 13.503 ( -1.345 -0.520 0.734) 1.618 13.583 ( -3.888 -5.931 -0.563) 7.114 13.702 ( 3.165 2.656 -0.446) 4.156 13.727 ( 2.943 0.067 -0.591) 3.003 13.753 ( -1.106 2.052 -0.576) 2.401 13.779 ( -2.040 -0.220 -0.957) 2.264 14.247 ( 4.308 5.267 1.852) 7.052 14.298 ( -0.270 4.476 2.024) 4.920 14.371 ( 3.571 -7.689 -0.172) 8.479 14.414 ( -0.247 -7.455 0.013) 7.459 14.707 ( 3.949 8.258 -5.415) 10.635 14.746 ( 0.563 11.134 -5.541) 12.449 14.830 ( 6.137 -4.781 -6.762) 10.308 14.938 ( -3.781 -8.842 -7.834) 12.403 15.272 ( 1.514 2.285 1.129) 2.964 15.318 ( 0.045 -1.880 0.772) 2.033 15.336 ( -2.697 -0.236 1.440) 3.067 15.359 ( -2.330 -2.151 0.673) 3.242 15.443 ( -0.941 2.034 0.914) 2.420 15.465 ( -0.292 0.185 -0.015) 0.346 15.497 ( -4.094 1.106 0.175) 4.244 15.521 ( -4.525 -1.136 -0.286) 4.674 16.383 ( 0.784 1.446 0.945) 1.896 16.408 ( 0.890 -1.156 0.892) 1.710 16.434 ( -3.916 1.190 2.326) 4.708 16.457 ( -3.732 -1.147 1.843) 4.318 16.647 ( 1.160 2.541 -2.718) 3.897 16.697 ( -1.498 -2.468 -3.383) 4.447 16.723 ( -5.838 0.445 -2.126) 6.229 16.732 ( -4.632 -0.537 -2.345) 5.220 20.379 ( 7.298 0.701 1.295) 7.445 20.390 ( 7.514 -0.510 0.923) 7.587 20.498 ( -3.527 0.671 0.753) 3.669 20.511 ( -3.452 -0.673 0.545) 3.559 20.616 ( 4.909 2.106 -1.351) 5.510 20.663 ( 2.715 -2.683 -2.033) 4.325 20.729 ( -5.388 0.720 -1.465) 5.630 20.745 ( -4.597 -1.015 -1.538) 4.952 21.905 ( -0.213 6.070 0.885) 6.138 21.921 ( -1.601 2.798 0.887) 3.344 21.968 ( 0.703 -2.013 0.009) 2.132 22.009 ( -3.121 -4.212 -0.339) 5.253 22.163 ( 0.655 0.631 -0.528) 1.051 22.182 ( 0.668 -1.263 -0.896) 1.687 22.222 ( -4.530 -0.280 -1.274) 4.714 22.237 ( -4.608 -1.293 -1.276) 4.953 22.811 ( 3.612 -0.246 0.769) 3.701 22.817 ( 4.401 -0.937 0.138) 4.502 22.858 ( -0.433 0.941 -0.547) 1.171 22.889 ( -1.783 -2.444 0.064) 3.026 22.969 ( 5.518 1.867 -0.297) 5.833 22.998 ( 6.244 -1.122 -1.726) 6.575 23.066 ( -2.583 1.314 -1.388) 3.213 23.074 ( 0.388 0.305 -1.118) 1.222 23.508 ( 5.010 2.964 -1.479) 6.007 23.542 ( 6.305 0.083 -1.117) 6.404 23.597 ( -0.632 1.581 -1.562) 2.311 23.639 ( -0.502 -3.109 -3.012) 4.357 23.715 ( -1.844 0.735 -0.701) 2.105 23.738 ( -4.980 -1.802 0.899) 5.372 23.813 ( -10.329 1.855 -0.754) 10.522 23.847 ( -9.925 -1.657 -1.727) 10.210 24.587 ( 0.306 0.529 2.529) 2.601 24.598 ( 0.031 -0.621 2.324) 2.406 24.613 ( -1.974 0.374 2.129) 2.927 24.621 ( -1.995 -0.530 1.542) 2.576 24.946 ( 3.139 1.219 -0.223) 3.375 24.971 ( 4.228 -1.296 -0.719) 4.480 25.012 ( -3.063 2.768 -0.919) 4.229 25.060 ( -3.661 -1.964 -1.080) 4.293 25.172 ( 3.689 0.760 2.347) 4.438 25.205 ( 1.185 -2.982 0.847) 3.319 25.273 ( -5.883 -0.031 4.532) 7.426 25.282 ( -5.550 -1.379 4.015) 6.988 25.408 ( 3.949 3.541 -1.579) 5.534 25.463 ( 5.504 -1.972 -2.399) 6.320 25.554 ( -9.250 5.487 -0.872) 10.790 25.645 ( -11.038 -3.992 -2.009) 11.908 ======================= Grid point 54 (21/40) ======================= q-point: ( 0.00 0.00 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.303 ( 0.000 0.000 36.290) 36.290 1.427 ( 0.000 0.000 37.934) 37.934 2.122 ( 0.000 0.000 19.365) 19.365 2.169 ( 0.000 0.000 0.970) 0.970 2.220 ( 0.000 0.000 46.481) 46.481 2.255 ( 0.000 0.000 18.142) 18.142 2.321 ( 0.000 0.000 -6.497) 6.497 2.348 ( 0.000 0.000 5.909) 5.909 2.722 ( 0.000 0.000 -25.306) 25.306 2.802 ( 0.000 0.000 -4.613) 4.613 2.829 ( 0.000 0.000 -6.688) 6.688 2.947 ( 0.000 0.000 -8.216) 8.216 3.007 ( 0.000 0.000 -7.203) 7.203 3.064 ( 0.000 0.000 4.081) 4.081 3.260 ( 0.000 0.000 -5.022) 5.022 3.278 ( 0.000 0.000 -0.660) 0.660 3.362 ( 0.000 0.000 -7.122) 7.122 3.455 ( 0.000 0.000 1.165) 1.165 3.589 ( 0.000 0.000 3.406) 3.406 3.652 ( 0.000 0.000 1.910) 1.910 3.997 ( 0.000 0.000 10.139) 10.139 4.156 ( 0.000 0.000 11.164) 11.164 4.417 ( 0.000 0.000 12.350) 12.350 4.495 ( 0.000 0.000 5.988) 5.988 4.562 ( 0.000 0.000 5.020) 5.020 4.593 ( 0.000 0.000 -9.789) 9.789 4.737 ( 0.000 0.000 1.318) 1.318 4.817 ( 0.000 0.000 -7.223) 7.223 4.919 ( 0.000 0.000 7.545) 7.545 5.050 ( 0.000 0.000 4.183) 4.183 5.089 ( 0.000 0.000 -7.969) 7.969 5.126 ( 0.000 0.000 -8.548) 8.548 5.131 ( 0.000 0.000 -8.103) 8.103 5.184 ( 0.000 0.000 4.540) 4.540 5.204 ( 0.000 0.000 -1.760) 1.760 5.374 ( 0.000 0.000 11.515) 11.515 5.377 ( 0.000 0.000 -0.739) 0.739 5.433 ( 0.000 0.000 7.955) 7.955 5.463 ( 0.000 0.000 9.132) 9.132 5.495 ( 0.000 0.000 3.634) 3.634 5.539 ( 0.000 0.000 9.547) 9.547 5.589 ( 0.000 0.000 0.136) 0.136 5.623 ( 0.000 0.000 1.232) 1.232 5.771 ( 0.000 0.000 -4.287) 4.287 5.792 ( 0.000 0.000 -0.356) 0.356 5.939 ( 0.000 0.000 -2.089) 2.089 6.056 ( 0.000 0.000 -7.154) 7.154 6.096 ( 0.000 0.000 -15.033) 15.033 6.121 ( 0.000 0.000 -3.568) 3.568 6.130 ( 0.000 0.000 -2.541) 2.541 6.162 ( 0.000 0.000 -4.122) 4.122 6.284 ( 0.000 0.000 -8.585) 8.585 6.310 ( 0.000 0.000 5.488) 5.488 6.490 ( 0.000 0.000 -13.420) 13.420 6.580 ( 0.000 0.000 5.780) 5.780 6.620 ( 0.000 0.000 -15.105) 15.105 6.756 ( 0.000 0.000 -3.305) 3.305 6.758 ( 0.000 0.000 -2.875) 2.875 6.763 ( 0.000 0.000 -7.837) 7.837 6.862 ( 0.000 0.000 0.383) 0.383 6.939 ( 0.000 0.000 2.165) 2.165 6.996 ( 0.000 0.000 -5.986) 5.986 7.039 ( 0.000 0.000 -12.353) 12.353 7.046 ( 0.000 0.000 5.507) 5.507 7.137 ( 0.000 0.000 5.813) 5.813 7.193 ( 0.000 0.000 -3.838) 3.838 7.201 ( 0.000 0.000 5.132) 5.132 7.252 ( 0.000 0.000 2.097) 2.097 7.299 ( 0.000 0.000 0.397) 0.397 7.300 ( 0.000 0.000 -6.163) 6.163 7.370 ( 0.000 0.000 -4.553) 4.553 7.456 ( 0.000 0.000 -18.170) 18.170 7.537 ( 0.000 0.000 -4.045) 4.045 7.564 ( 0.000 0.000 -5.355) 5.355 7.587 ( 0.000 0.000 -2.974) 2.974 7.673 ( 0.000 0.000 -8.668) 8.668 7.698 ( 0.000 0.000 1.374) 1.374 7.783 ( 0.000 0.000 -1.717) 1.717 7.791 ( 0.000 0.000 -0.921) 0.921 7.859 ( 0.000 0.000 -4.765) 4.765 8.037 ( 0.000 0.000 2.137) 2.137 8.174 ( 0.000 0.000 8.650) 8.650 8.187 ( 0.000 0.000 5.562) 5.562 8.328 ( 0.000 0.000 -2.522) 2.522 8.342 ( 0.000 0.000 -4.082) 4.082 8.433 ( 0.000 0.000 -6.926) 6.926 8.450 ( 0.000 0.000 -2.041) 2.041 8.505 ( 0.000 0.000 -7.855) 7.855 8.588 ( 0.000 0.000 -11.017) 11.017 8.701 ( 0.000 0.000 9.941) 9.941 8.734 ( 0.000 0.000 -10.611) 10.611 8.813 ( 0.000 0.000 4.176) 4.176 8.854 ( 0.000 0.000 1.417) 1.417 9.062 ( 0.000 0.000 -5.725) 5.725 9.077 ( 0.000 0.000 -7.638) 7.638 9.080 ( 0.000 0.000 -6.192) 6.192 9.248 ( 0.000 0.000 10.847) 10.847 9.423 ( 0.000 0.000 13.284) 13.284 9.479 ( 0.000 0.000 1.226) 1.226 9.494 ( 0.000 0.000 2.637) 2.637 9.506 ( 0.000 0.000 10.081) 10.081 9.531 ( 0.000 0.000 3.314) 3.314 9.546 ( 0.000 0.000 2.507) 2.507 9.730 ( 0.000 0.000 5.033) 5.033 9.775 ( 0.000 0.000 9.015) 9.015 9.867 ( 0.000 0.000 -2.322) 2.322 9.911 ( 0.000 0.000 1.454) 1.454 9.998 ( 0.000 0.000 10.634) 10.634 10.047 ( 0.000 0.000 -7.104) 7.104 10.115 ( 0.000 0.000 -0.908) 0.908 10.144 ( 0.000 0.000 1.370) 1.370 10.172 ( 0.000 0.000 8.848) 8.848 10.189 ( 0.000 0.000 3.008) 3.008 10.230 ( 0.000 0.000 5.007) 5.007 10.263 ( 0.000 0.000 -1.142) 1.142 10.323 ( 0.000 0.000 8.867) 8.867 10.472 ( 0.000 0.000 -8.231) 8.231 10.485 ( 0.000 0.000 -6.350) 6.350 10.529 ( 0.000 0.000 -1.043) 1.043 10.565 ( 0.000 0.000 4.986) 4.986 10.606 ( 0.000 0.000 2.812) 2.812 10.675 ( 0.000 0.000 -2.118) 2.118 10.685 ( 0.000 0.000 -3.221) 3.221 10.818 ( 0.000 0.000 -3.167) 3.167 10.903 ( 0.000 0.000 5.729) 5.729 11.038 ( 0.000 0.000 3.859) 3.859 11.052 ( 0.000 0.000 1.174) 1.174 11.110 ( 0.000 0.000 3.681) 3.681 11.164 ( 0.000 0.000 -2.875) 2.875 11.254 ( 0.000 0.000 4.018) 4.018 11.348 ( 0.000 0.000 -1.644) 1.644 11.444 ( 0.000 0.000 -8.551) 8.551 11.460 ( 0.000 0.000 -5.341) 5.341 11.475 ( 0.000 0.000 -7.677) 7.677 11.596 ( 0.000 0.000 4.020) 4.020 11.650 ( 0.000 0.000 4.631) 4.631 11.770 ( 0.000 0.000 -7.054) 7.054 11.810 ( 0.000 0.000 -2.129) 2.129 11.851 ( 0.000 0.000 7.960) 7.960 11.860 ( 0.000 0.000 -4.897) 4.897 11.919 ( 0.000 0.000 0.097) 0.097 11.996 ( 0.000 0.000 -2.108) 2.108 12.166 ( 0.000 0.000 0.044) 0.044 12.176 ( 0.000 0.000 -2.222) 2.222 12.185 ( 0.000 0.000 0.628) 0.628 12.214 ( 0.000 0.000 -4.446) 4.446 12.325 ( 0.000 0.000 1.666) 1.666 12.442 ( 0.000 0.000 -2.975) 2.975 12.699 ( 0.000 0.000 3.276) 3.276 12.704 ( 0.000 0.000 7.441) 7.441 12.758 ( 0.000 0.000 1.569) 1.569 12.789 ( 0.000 0.000 3.408) 3.408 12.803 ( 0.000 0.000 5.318) 5.318 12.824 ( 0.000 0.000 -0.762) 0.762 12.879 ( 0.000 0.000 -1.696) 1.696 12.916 ( 0.000 0.000 -5.078) 5.078 12.984 ( 0.000 0.000 8.705) 8.705 13.169 ( 0.000 0.000 -1.800) 1.800 13.220 ( 0.000 0.000 4.589) 4.589 13.275 ( 0.000 0.000 3.372) 3.372 13.342 ( 0.000 0.000 2.560) 2.560 13.412 ( 0.000 0.000 -1.167) 1.167 13.506 ( 0.000 0.000 0.793) 0.793 13.507 ( 0.000 0.000 0.784) 0.784 13.802 ( 0.000 0.000 1.365) 1.365 13.839 ( 0.000 0.000 2.425) 2.425 13.869 ( 0.000 0.000 -2.812) 2.812 13.894 ( 0.000 0.000 3.810) 3.810 13.932 ( 0.000 0.000 9.847) 9.847 14.017 ( 0.000 0.000 -4.260) 4.260 14.060 ( 0.000 0.000 -3.465) 3.465 14.242 ( 0.000 0.000 -4.328) 4.328 14.382 ( 0.000 0.000 7.805) 7.805 14.400 ( 0.000 0.000 4.900) 4.900 14.413 ( 0.000 0.000 13.381) 13.381 14.929 ( 0.000 0.000 -11.430) 11.430 15.306 ( 0.000 0.000 -2.077) 2.077 15.317 ( 0.000 0.000 -3.888) 3.888 15.498 ( 0.000 0.000 -1.897) 1.897 15.606 ( 0.000 0.000 -5.406) 5.406 15.804 ( 0.000 0.000 -0.628) 0.628 15.812 ( 0.000 0.000 3.746) 3.746 15.846 ( 0.000 0.000 -0.864) 0.864 15.879 ( 0.000 0.000 -0.102) 0.102 16.383 ( 0.000 0.000 0.147) 0.147 16.415 ( 0.000 0.000 -1.284) 1.284 16.438 ( 0.000 0.000 -0.223) 0.223 16.445 ( 0.000 0.000 -0.545) 0.545 16.972 ( 0.000 0.000 6.235) 6.235 17.104 ( 0.000 0.000 3.580) 3.580 17.160 ( 0.000 0.000 -3.289) 3.289 17.213 ( 0.000 0.000 -1.837) 1.837 19.826 ( 0.000 0.000 0.366) 0.366 19.828 ( 0.000 0.000 0.492) 0.492 19.841 ( 0.000 0.000 -0.437) 0.437 19.845 ( 0.000 0.000 -0.335) 0.335 20.710 ( 0.000 0.000 4.160) 4.160 20.873 ( 0.000 0.000 -3.933) 3.933 21.005 ( 0.000 0.000 2.584) 2.584 21.129 ( 0.000 0.000 -3.384) 3.384 21.828 ( 0.000 0.000 2.980) 2.980 21.951 ( 0.000 0.000 -2.859) 2.859 22.053 ( 0.000 0.000 3.154) 3.154 22.166 ( 0.000 0.000 2.303) 2.303 22.217 ( 0.000 0.000 -4.591) 4.591 22.221 ( 0.000 0.000 0.871) 0.871 22.279 ( 0.000 0.000 -2.181) 2.181 22.280 ( 0.000 0.000 -1.765) 1.765 22.450 ( 0.000 0.000 2.684) 2.684 22.537 ( 0.000 0.000 -0.845) 0.845 22.591 ( 0.000 0.000 0.025) 0.025 22.646 ( 0.000 0.000 -2.942) 2.942 22.669 ( 0.000 0.000 0.693) 0.693 22.676 ( 0.000 0.000 -0.038) 0.038 22.970 ( 0.000 0.000 5.389) 5.389 23.248 ( 0.000 0.000 -11.319) 11.319 23.445 ( 0.000 0.000 2.693) 2.693 23.644 ( 0.000 0.000 5.059) 5.059 23.771 ( 0.000 0.000 -15.553) 15.553 23.893 ( 0.000 0.000 -7.257) 7.257 24.163 ( 0.000 0.000 2.460) 2.460 24.185 ( 0.000 0.000 4.009) 4.009 24.232 ( 0.000 0.000 0.725) 0.725 24.233 ( 0.000 0.000 1.101) 1.101 24.668 ( 0.000 0.000 -0.815) 0.815 24.684 ( 0.000 0.000 -2.113) 2.113 24.727 ( 0.000 0.000 3.659) 3.659 24.729 ( 0.000 0.000 0.170) 0.170 24.900 ( 0.000 0.000 -4.289) 4.289 24.958 ( 0.000 0.000 -5.256) 5.256 25.135 ( 0.000 0.000 6.666) 6.666 25.188 ( 0.000 0.000 6.185) 6.185 25.649 ( 0.000 0.000 -0.830) 0.830 25.662 ( 0.000 0.000 3.367) 3.367 25.673 ( 0.000 0.000 0.604) 0.604 25.707 ( 0.000 0.000 0.042) 0.042 26.018 ( 0.000 0.000 2.937) 2.937 26.222 ( 0.000 0.000 -6.083) 6.083 26.302 ( 0.000 0.000 2.198) 2.198 26.440 ( 0.000 0.000 -4.082) 4.082 ======================= Grid point 55 (22/40) ======================= q-point: ( 0.11 0.00 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.475 ( 5.398 0.000 33.087) 33.524 1.654 ( 25.883 0.000 29.565) 39.294 1.980 ( -2.685 0.000 7.795) 8.244 2.061 ( -6.430 0.000 1.895) 6.703 2.345 ( 10.576 0.000 42.154) 43.461 2.461 ( 15.595 0.000 16.451) 22.668 2.525 ( 14.408 0.000 18.608) 23.534 2.580 ( 21.879 0.000 -11.822) 24.869 2.733 ( 1.780 0.000 -8.657) 8.839 2.946 ( 12.233 0.000 -5.093) 13.251 2.993 ( 7.580 0.000 -20.338) 21.705 2.993 ( 6.225 0.000 -5.196) 8.109 3.123 ( 12.371 0.000 -7.124) 14.276 3.290 ( 19.444 0.000 2.982) 19.671 3.382 ( 12.180 0.000 -0.547) 12.192 3.422 ( 9.135 0.000 -4.918) 10.375 3.454 ( 9.496 0.000 -0.980) 9.547 3.486 ( 7.153 0.000 -3.477) 7.953 3.761 ( 11.959 0.000 2.070) 12.137 3.836 ( 18.897 0.000 -2.829) 19.108 4.095 ( 9.225 0.000 5.743) 10.867 4.172 ( -2.590 0.000 7.791) 8.211 4.346 ( 4.517 0.000 -0.564) 4.552 4.411 ( -6.636 0.000 0.911) 6.698 4.682 ( 10.476 0.000 7.178) 12.700 4.721 ( -3.331 0.000 -1.895) 3.832 4.828 ( 5.230 0.000 6.069) 8.011 4.835 ( 3.257 0.000 3.253) 4.603 4.933 ( -8.861 0.000 3.241) 9.435 4.940 ( -0.586 0.000 6.761) 6.787 5.035 ( 4.421 0.000 -6.725) 8.048 5.078 ( -5.403 0.000 4.787) 7.219 5.132 ( -6.524 0.000 -2.346) 6.933 5.150 ( 0.438 0.000 -7.168) 7.182 5.217 ( 2.065 0.000 0.236) 2.078 5.336 ( -9.976 0.000 3.289) 10.504 5.367 ( -7.362 0.000 9.904) 12.341 5.384 ( -3.477 0.000 4.042) 5.332 5.425 ( 1.283 0.000 6.296) 6.425 5.450 ( -2.453 0.000 1.015) 2.654 5.509 ( -2.051 0.000 6.309) 6.634 5.590 ( -1.829 0.000 3.578) 4.018 5.660 ( -3.172 0.000 -3.217) 4.517 5.727 ( 1.818 0.000 1.164) 2.159 5.739 ( 1.408 0.000 -7.027) 7.166 5.883 ( -4.772 0.000 -4.089) 6.285 5.986 ( -0.443 0.000 -3.412) 3.440 6.036 ( -4.334 0.000 -2.169) 4.846 6.088 ( 0.189 0.000 -3.330) 3.335 6.152 ( 2.289 0.000 -8.917) 9.206 6.289 ( 6.490 0.000 2.319) 6.892 6.325 ( 2.207 0.000 -5.915) 6.313 6.339 ( 1.797 0.000 -3.163) 3.638 6.424 ( -4.413 0.000 -0.161) 4.416 6.576 ( -0.096 0.000 -7.941) 7.941 6.705 ( -1.832 0.000 -5.315) 5.622 6.710 ( 0.271 0.000 -2.905) 2.918 6.747 ( -2.803 0.000 -2.387) 3.682 6.756 ( 0.567 0.000 -2.196) 2.268 6.800 ( -1.103 0.000 -5.338) 5.451 6.920 ( -0.784 0.000 -8.678) 8.713 6.948 ( -3.825 0.000 -5.269) 6.511 7.017 ( -5.146 0.000 -0.547) 5.175 7.070 ( 0.137 0.000 2.779) 2.782 7.083 ( -3.030 0.000 -7.065) 7.687 7.136 ( 0.411 0.000 5.681) 5.696 7.158 ( -3.635 0.000 -2.410) 4.361 7.244 ( 0.340 0.000 -3.311) 3.329 7.308 ( -1.341 0.000 -7.620) 7.737 7.311 ( 0.840 0.000 3.942) 4.030 7.398 ( -1.836 0.000 -9.816) 9.986 7.443 ( -2.287 0.000 -8.316) 8.625 7.531 ( -1.552 0.000 1.826) 2.397 7.556 ( 0.526 0.000 -1.346) 1.446 7.606 ( -1.359 0.000 -2.876) 3.180 7.657 ( -4.648 0.000 -0.090) 4.649 7.681 ( 3.801 0.000 -8.986) 9.757 7.769 ( 5.230 0.000 -1.116) 5.348 7.801 ( -1.514 0.000 -6.895) 7.059 7.807 ( 2.750 0.000 0.075) 2.751 8.066 ( 3.755 0.000 6.773) 7.745 8.157 ( -1.806 0.000 -0.202) 1.817 8.165 ( -0.135 0.000 3.386) 3.388 8.352 ( -0.695 0.000 -2.268) 2.372 8.404 ( 0.762 0.000 -10.913) 10.939 8.404 ( -3.613 0.000 -4.566) 5.823 8.501 ( 6.781 0.000 -0.587) 6.806 8.542 ( 2.824 0.000 -1.271) 3.097 8.581 ( 1.205 0.000 -7.716) 7.810 8.675 ( 3.156 0.000 -1.632) 3.553 8.802 ( -0.670 0.000 2.300) 2.396 8.867 ( 4.852 0.000 -2.339) 5.386 8.942 ( 5.145 0.000 1.898) 5.484 9.119 ( -0.076 0.000 0.669) 0.673 9.135 ( 2.720 0.000 -3.919) 4.771 9.194 ( 2.712 0.000 6.204) 6.771 9.230 ( 7.949 0.000 -9.441) 12.342 9.340 ( -6.204 0.000 7.013) 9.363 9.370 ( -5.601 0.000 1.002) 5.690 9.474 ( -0.663 0.000 -1.760) 1.881 9.475 ( -0.857 0.000 6.811) 6.864 9.528 ( -1.136 0.000 8.805) 8.878 9.568 ( 4.116 0.000 1.980) 4.568 9.741 ( 0.787 0.000 6.313) 6.362 9.776 ( -0.126 0.000 10.519) 10.520 9.829 ( -8.485 0.000 5.038) 9.868 9.894 ( -2.374 0.000 0.668) 2.466 9.951 ( -1.068 0.000 0.961) 1.437 9.983 ( -4.133 0.000 -8.705) 9.636 10.069 ( -2.948 0.000 1.037) 3.125 10.136 ( -1.645 0.000 7.236) 7.421 10.172 ( 0.981 0.000 5.225) 5.317 10.265 ( 0.889 0.000 4.946) 5.025 10.276 ( 7.863 0.000 -0.015) 7.863 10.366 ( 8.679 0.000 1.409) 8.793 10.383 ( 2.319 0.000 8.196) 8.518 10.466 ( -3.495 0.000 1.789) 3.927 10.480 ( 3.651 0.000 -3.297) 4.919 10.553 ( -0.307 0.000 5.625) 5.633 10.560 ( 6.431 0.000 -6.989) 9.497 10.655 ( 3.514 0.000 -2.408) 4.260 10.683 ( 2.096 0.000 -1.723) 2.713 10.720 ( 4.932 0.000 -1.427) 5.134 10.805 ( -0.722 0.000 -3.994) 4.059 10.936 ( 3.129 0.000 3.102) 4.407 11.032 ( -1.388 0.000 2.045) 2.472 11.070 ( 2.673 0.000 3.656) 4.529 11.120 ( 1.376 0.000 1.034) 1.721 11.204 ( 3.212 0.000 -3.363) 4.650 11.222 ( -2.782 0.000 0.667) 2.861 11.360 ( -1.405 0.000 -1.914) 2.374 11.412 ( -3.385 0.000 -5.637) 6.575 11.421 ( 0.231 0.000 -3.747) 3.754 11.484 ( 0.695 0.000 -4.451) 4.505 11.564 ( 0.575 0.000 2.704) 2.765 11.694 ( -2.687 0.000 -3.680) 4.557 11.712 ( 0.036 0.000 1.979) 1.979 11.864 ( -1.415 0.000 -0.292) 1.445 11.867 ( -0.146 0.000 8.405) 8.407 11.910 ( -2.601 0.000 -5.584) 6.160 11.926 ( 3.934 0.000 -1.620) 4.255 12.068 ( 4.482 0.000 2.948) 5.364 12.116 ( -4.205 0.000 -1.724) 4.545 12.175 ( -4.470 0.000 -0.913) 4.562 12.204 ( 1.302 0.000 0.396) 1.361 12.242 ( 2.904 0.000 -1.192) 3.139 12.421 ( 7.505 0.000 4.422) 8.711 12.496 ( 2.370 0.000 1.814) 2.984 12.617 ( -7.072 0.000 7.347) 10.198 12.689 ( -1.164 0.000 0.015) 1.164 12.710 ( -6.593 0.000 7.873) 10.270 12.714 ( -5.123 0.000 2.814) 5.845 12.746 ( -2.537 0.000 3.997) 4.734 12.769 ( -4.393 0.000 -2.164) 4.897 12.838 ( -3.476 0.000 -5.003) 6.092 12.882 ( 0.214 0.000 -2.858) 2.866 12.991 ( -0.215 0.000 5.253) 5.257 13.100 ( -5.420 0.000 -1.229) 5.558 13.209 ( -3.678 0.000 5.616) 6.713 13.248 ( -2.679 0.000 3.594) 4.482 13.263 ( -1.098 0.000 4.035) 4.181 13.423 ( -0.386 0.000 -3.301) 3.323 13.499 ( 1.077 0.000 0.382) 1.142 13.540 ( 1.794 0.000 -0.743) 1.942 13.733 ( -1.848 0.000 -0.064) 1.849 13.748 ( -8.145 0.000 1.635) 8.307 13.898 ( 1.438 0.000 7.393) 7.532 13.898 ( -2.289 0.000 2.264) 3.220 14.004 ( 3.984 0.000 2.996) 4.985 14.090 ( 2.343 0.000 -1.246) 2.654 14.092 ( 5.645 0.000 -3.165) 6.472 14.300 ( 4.126 0.000 -1.670) 4.451 14.337 ( -2.481 0.000 6.369) 6.835 14.345 ( 1.828 0.000 -0.347) 1.860 14.409 ( 0.052 0.000 12.320) 12.320 14.985 ( 1.448 0.000 -15.327) 15.396 15.284 ( -1.607 0.000 -1.143) 1.972 15.297 ( -1.759 0.000 -3.101) 3.565 15.500 ( -0.113 0.000 -2.241) 2.244 15.578 ( -2.712 0.000 -4.563) 5.308 15.759 ( -3.815 0.000 1.939) 4.280 15.799 ( -2.496 0.000 0.306) 2.515 15.803 ( -3.771 0.000 -0.802) 3.856 15.847 ( -3.125 0.000 -0.242) 3.134 16.397 ( 0.896 0.000 0.024) 0.897 16.431 ( 0.606 0.000 -0.711) 0.934 16.465 ( 2.164 0.000 -1.381) 2.567 16.516 ( 5.083 0.000 -4.626) 6.873 16.927 ( -4.281 0.000 5.923) 7.309 17.061 ( -4.210 0.000 2.167) 4.735 17.114 ( -4.411 0.000 -3.388) 5.562 17.162 ( -4.823 0.000 -1.962) 5.207 19.891 ( 5.964 0.000 0.711) 6.006 19.904 ( 5.452 0.000 0.119) 5.453 19.934 ( 8.063 0.000 -0.943) 8.118 19.982 ( 12.159 0.000 -5.152) 13.205 20.707 ( -0.346 0.000 4.156) 4.170 20.862 ( -1.176 0.000 -3.429) 3.625 20.980 ( -2.324 0.000 1.906) 3.006 21.051 ( -5.934 0.000 -0.324) 5.943 21.840 ( 0.991 0.000 3.239) 3.387 21.980 ( 1.897 0.000 -3.534) 4.011 22.109 ( 2.080 0.000 1.394) 2.504 22.129 ( -3.026 0.000 2.695) 4.052 22.246 ( 1.281 0.000 -2.045) 2.413 22.250 ( 2.233 0.000 -4.446) 4.976 22.318 ( 3.695 0.000 -2.824) 4.651 22.328 ( 4.283 0.000 -2.437) 4.928 22.468 ( 0.493 0.000 1.581) 1.656 22.554 ( 3.611 0.000 -2.813) 4.578 22.596 ( 2.878 0.000 2.684) 3.935 22.652 ( -0.242 0.000 0.049) 0.247 22.701 ( 2.858 0.000 -1.918) 3.442 22.703 ( 2.650 0.000 -0.547) 2.706 22.937 ( -3.092 0.000 4.516) 5.473 23.179 ( -6.038 0.000 -9.916) 11.610 23.421 ( -2.044 0.000 1.311) 2.429 23.631 ( -1.454 0.000 3.836) 4.102 23.677 ( -7.658 0.000 -12.391) 14.567 23.869 ( -2.985 0.000 -8.415) 8.929 24.147 ( -3.502 0.000 4.556) 5.747 24.158 ( -0.631 0.000 2.236) 2.323 24.216 ( -1.780 0.000 1.193) 2.142 24.223 ( -1.176 0.000 0.654) 1.345 24.659 ( -0.783 0.000 0.171) 0.802 24.703 ( 1.392 0.000 -2.231) 2.629 24.729 ( -0.120 0.000 0.700) 0.710 24.735 ( 0.568 0.000 2.575) 2.637 24.907 ( 0.625 0.000 -3.348) 3.405 24.947 ( -1.002 0.000 -4.429) 4.541 25.124 ( -0.887 0.000 5.964) 6.030 25.165 ( -2.151 0.000 6.488) 6.835 25.525 ( -11.834 0.000 3.718) 12.404 25.562 ( -7.742 0.000 -2.394) 8.104 25.613 ( -6.135 0.000 0.319) 6.143 25.636 ( -6.458 0.000 -0.685) 6.495 25.928 ( -7.324 0.000 6.630) 9.879 26.123 ( -8.606 0.000 -4.106) 9.535 26.127 ( -13.621 0.000 5.657) 14.749 26.355 ( -7.885 0.000 -5.325) 9.514 ======================= Grid point 56 (23/40) ======================= q-point: ( 0.22 0.00 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.673 ( 13.823 0.000 20.835) 25.004 1.910 ( 5.641 0.000 2.118) 6.026 2.041 ( 8.241 0.000 6.897) 10.746 2.299 ( 19.995 0.000 27.346) 33.876 2.652 ( 14.125 0.000 12.863) 19.104 2.763 ( 12.918 0.000 13.573) 18.738 2.787 ( 15.175 0.000 6.523) 16.518 2.987 ( 15.460 0.000 -10.018) 18.422 2.992 ( 13.657 0.000 -5.368) 14.674 3.168 ( 8.127 0.000 -5.602) 9.871 3.181 ( 21.262 0.000 3.603) 21.565 3.270 ( 17.359 0.000 -1.829) 17.455 3.385 ( 11.296 0.000 -12.510) 16.855 3.635 ( 6.510 0.000 1.837) 6.764 3.675 ( 10.070 0.000 -2.477) 10.370 3.677 ( 11.777 0.000 -2.828) 12.112 3.755 ( 21.250 0.000 -2.821) 21.436 3.762 ( 20.933 0.000 -1.725) 21.004 4.096 ( 13.146 0.000 7.702) 15.236 4.143 ( 4.904 0.000 -0.075) 4.904 4.230 ( 11.981 0.000 -7.460) 14.114 4.294 ( 4.246 0.000 -2.317) 4.837 4.372 ( 7.352 0.000 -4.246) 8.490 4.405 ( -4.424 0.000 -3.138) 5.424 4.664 ( 3.733 0.000 -0.103) 3.734 4.684 ( -5.078 0.000 0.625) 5.117 4.791 ( -1.806 0.000 -0.506) 1.875 4.796 ( -6.955 0.000 5.165) 8.664 4.854 ( -6.860 0.000 2.827) 7.420 4.919 ( -3.902 0.000 -0.257) 3.910 5.031 ( 3.922 0.000 8.501) 9.362 5.035 ( -10.334 0.000 8.949) 13.670 5.054 ( -11.432 0.000 2.642) 11.733 5.059 ( 2.873 0.000 2.019) 3.512 5.138 ( -3.231 0.000 10.149) 10.651 5.183 ( -2.708 0.000 2.703) 3.826 5.273 ( -3.571 0.000 0.664) 3.632 5.328 ( -3.208 0.000 4.438) 5.476 5.334 ( -6.151 0.000 -2.172) 6.523 5.366 ( -0.633 0.000 -3.766) 3.819 5.562 ( 0.725 0.000 11.780) 11.803 5.563 ( 3.586 0.000 5.508) 6.573 5.582 ( -2.265 0.000 -0.168) 2.271 5.796 ( -2.198 0.000 -0.683) 2.302 5.816 ( 9.506 0.000 0.516) 9.520 5.869 ( 6.859 0.000 -4.398) 8.148 5.984 ( -0.307 0.000 1.848) 1.873 6.016 ( 0.544 0.000 0.592) 0.804 6.126 ( -3.874 0.000 -2.873) 4.823 6.137 ( 0.983 0.000 -10.713) 10.758 6.299 ( -2.779 0.000 8.665) 9.100 6.377 ( 2.248 0.000 3.799) 4.414 6.455 ( 5.007 0.000 -6.722) 8.382 6.456 ( 4.613 0.000 -3.633) 5.871 6.525 ( -2.994 0.000 -0.520) 3.039 6.597 ( 0.678 0.000 -2.746) 2.829 6.646 ( -8.422 0.000 -2.399) 8.757 6.655 ( -4.117 0.000 1.650) 4.435 6.799 ( -1.580 0.000 -10.222) 10.343 6.808 ( -2.313 0.000 -2.069) 3.103 6.877 ( 3.556 0.000 -3.176) 4.768 6.890 ( -5.937 0.000 -3.836) 7.069 6.969 ( -8.602 0.000 -1.323) 8.703 7.025 ( 9.553 0.000 -12.517) 15.746 7.103 ( 6.509 0.000 -7.865) 10.209 7.134 ( 0.561 0.000 1.094) 1.230 7.142 ( -1.092 0.000 -1.027) 1.499 7.190 ( -0.983 0.000 -5.749) 5.832 7.241 ( -5.252 0.000 -10.003) 11.298 7.322 ( 2.866 0.000 -6.973) 7.539 7.421 ( -1.615 0.000 -0.198) 1.628 7.439 ( 7.654 0.000 -4.686) 8.975 7.503 ( -0.207 0.000 5.611) 5.615 7.596 ( 4.454 0.000 -4.934) 6.647 7.633 ( 2.372 0.000 -1.266) 2.688 7.706 ( -3.201 0.000 6.051) 6.845 7.739 ( 7.548 0.000 2.552) 7.968 7.814 ( 5.244 0.000 -4.181) 6.707 7.867 ( 1.316 0.000 -2.358) 2.701 7.898 ( 4.015 0.000 -6.112) 7.312 8.004 ( -3.558 0.000 -2.373) 4.277 8.163 ( -0.454 0.000 -4.835) 4.856 8.222 ( 1.393 0.000 -1.289) 1.898 8.281 ( -3.109 0.000 0.734) 3.194 8.366 ( 2.833 0.000 -3.135) 4.225 8.443 ( 4.147 0.000 -8.379) 9.349 8.588 ( 0.882 0.000 0.191) 0.903 8.627 ( 4.775 0.000 1.679) 5.062 8.661 ( 2.277 0.000 4.769) 5.284 8.781 ( 0.192 0.000 1.681) 1.692 8.815 ( 4.630 0.000 -3.515) 5.813 8.857 ( 0.661 0.000 -5.582) 5.621 8.982 ( -0.692 0.000 2.234) 2.338 8.995 ( -10.493 0.000 -5.949) 12.062 9.063 ( 2.035 0.000 0.422) 2.078 9.231 ( -3.082 0.000 0.310) 3.098 9.301 ( 0.812 0.000 -6.506) 6.556 9.323 ( -0.963 0.000 -4.664) 4.763 9.404 ( 8.630 0.000 3.982) 9.505 9.494 ( -1.855 0.000 10.560) 10.722 9.546 ( 7.967 0.000 6.186) 10.087 9.569 ( 4.621 0.000 -0.813) 4.692 9.642 ( -5.921 0.000 6.517) 8.806 9.718 ( -3.688 0.000 4.416) 5.754 9.724 ( -4.324 0.000 8.433) 9.477 9.748 ( 2.017 0.000 -2.673) 3.349 9.808 ( -8.381 0.000 -0.894) 8.429 9.825 ( -0.692 0.000 -0.753) 1.023 9.936 ( 3.423 0.000 -8.461) 9.127 10.054 ( 0.202 0.000 4.971) 4.975 10.114 ( -1.827 0.000 5.081) 5.399 10.182 ( 0.086 0.000 4.895) 4.896 10.236 ( -3.200 0.000 6.889) 7.596 10.322 ( -3.029 0.000 9.173) 9.661 10.445 ( 4.334 0.000 -0.261) 4.342 10.521 ( 9.475 0.000 -8.287) 12.588 10.567 ( 7.196 0.000 0.506) 7.214 10.621 ( 7.391 0.000 4.507) 8.657 10.638 ( 7.770 0.000 4.505) 8.981 10.696 ( 2.453 0.000 -4.022) 4.711 10.742 ( 7.151 0.000 -4.898) 8.668 10.744 ( 6.063 0.000 -4.192) 7.371 10.863 ( 7.762 0.000 -0.677) 7.791 10.888 ( 10.270 0.000 -0.453) 10.280 11.025 ( 4.815 0.000 0.603) 4.853 11.025 ( 1.120 0.000 0.779) 1.364 11.108 ( 0.066 0.000 -0.072) 0.097 11.144 ( -0.738 0.000 -2.156) 2.279 11.175 ( -1.207 0.000 0.263) 1.235 11.276 ( 1.851 0.000 -2.667) 3.246 11.298 ( -2.670 0.000 0.840) 2.799 11.346 ( -1.216 0.000 -4.466) 4.629 11.459 ( 1.514 0.000 -1.313) 2.004 11.500 ( -0.101 0.000 -2.272) 2.274 11.558 ( -2.581 0.000 1.159) 2.829 11.588 ( -8.784 0.000 -0.245) 8.787 11.671 ( -3.325 0.000 -0.056) 3.326 11.705 ( -11.218 0.000 -0.063) 11.218 11.752 ( -13.123 0.000 2.200) 13.306 11.805 ( -12.206 0.000 -0.225) 12.208 11.969 ( -1.532 0.000 3.741) 4.043 12.017 ( -2.196 0.000 -1.077) 2.446 12.029 ( -3.674 0.000 5.973) 7.012 12.124 ( 2.259 0.000 0.649) 2.350 12.149 ( -9.564 0.000 3.681) 10.248 12.221 ( -0.940 0.000 3.286) 3.418 12.326 ( -17.010 0.000 5.062) 17.747 12.441 ( -7.435 0.000 6.999) 10.210 12.473 ( -1.701 0.000 -0.065) 1.702 12.552 ( -7.272 0.000 11.756) 13.824 12.606 ( -5.519 0.000 -0.409) 5.535 12.684 ( -1.829 0.000 6.717) 6.961 12.688 ( -7.153 0.000 -0.039) 7.154 12.806 ( 2.475 0.000 4.839) 5.435 12.819 ( 4.433 0.000 0.556) 4.467 12.962 ( 7.142 0.000 -6.420) 9.604 13.002 ( -2.796 0.000 -0.864) 2.927 13.020 ( -3.801 0.000 4.437) 5.842 13.103 ( 4.950 0.000 -1.220) 5.099 13.237 ( -3.572 0.000 7.893) 8.664 13.267 ( 2.329 0.000 4.022) 4.648 13.378 ( -4.076 0.000 -3.213) 5.190 13.528 ( 0.233 0.000 -2.504) 2.515 13.528 ( -0.242 0.000 -1.753) 1.770 13.683 ( 1.819 0.000 2.172) 2.833 13.714 ( -1.502 0.000 2.132) 2.608 13.833 ( -2.872 0.000 -1.743) 3.359 13.860 ( -4.631 0.000 0.874) 4.713 14.085 ( 4.127 0.000 -0.144) 4.129 14.129 ( 3.707 0.000 6.517) 7.497 14.230 ( 6.902 0.000 -5.049) 8.551 14.361 ( 3.954 0.000 4.162) 5.740 14.393 ( 4.884 0.000 -1.659) 5.158 14.427 ( 1.577 0.000 7.843) 8.000 14.454 ( 6.190 0.000 -6.281) 8.818 14.967 ( -2.335 0.000 -15.464) 15.639 15.258 ( -1.648 0.000 -1.217) 2.049 15.261 ( -0.324 0.000 -0.417) 0.528 15.484 ( -1.502 0.000 -2.105) 2.586 15.501 ( -4.331 0.000 -2.439) 4.970 15.656 ( -5.846 0.000 2.509) 6.362 15.705 ( -5.459 0.000 -0.645) 5.497 15.706 ( -5.973 0.000 0.819) 6.029 15.755 ( -5.533 0.000 -0.762) 5.585 16.403 ( -0.445 0.000 0.266) 0.518 16.433 ( -0.196 0.000 0.408) 0.452 16.507 ( 1.358 0.000 -2.708) 3.030 16.576 ( 0.425 0.000 -4.676) 4.696 16.805 ( -7.070 0.000 5.099) 8.717 16.933 ( -7.857 0.000 0.157) 7.858 16.984 ( -7.752 0.000 -3.644) 8.566 17.022 ( -8.308 0.000 -2.325) 8.627 20.052 ( 8.928 0.000 2.094) 9.170 20.053 ( 8.505 0.000 1.058) 8.571 20.137 ( 10.590 0.000 -2.819) 10.959 20.229 ( 10.591 0.000 -7.816) 13.163 20.692 ( -1.262 0.000 4.036) 4.228 20.819 ( -3.140 0.000 -1.607) 3.527 20.913 ( -4.081 0.000 0.474) 4.108 20.929 ( -5.448 0.000 0.237) 5.453 21.857 ( 0.463 0.000 3.326) 3.358 21.988 ( -1.069 0.000 -2.630) 2.839 22.060 ( -3.466 0.000 2.621) 4.345 22.135 ( -0.074 0.000 -0.821) 0.824 22.224 ( -2.033 0.000 -2.148) 2.958 22.250 ( -2.873 0.000 -2.808) 4.017 22.359 ( -0.497 0.000 -1.232) 1.329 22.395 ( 0.915 0.000 -2.574) 2.732 22.533 ( 6.875 0.000 0.733) 6.914 22.665 ( 2.656 0.000 -3.632) 4.499 22.711 ( 8.186 0.000 -2.170) 8.468 22.722 ( 8.100 0.000 2.900) 8.604 22.765 ( 3.427 0.000 0.551) 3.471 22.780 ( 5.156 0.000 -0.854) 5.226 22.864 ( -2.707 0.000 2.037) 3.388 23.051 ( -4.559 0.000 -8.964) 10.057 23.371 ( -2.430 0.000 -0.264) 2.445 23.507 ( -7.684 0.000 -7.660) 10.850 23.583 ( -2.827 0.000 1.209) 3.075 23.767 ( -6.366 0.000 -7.907) 10.152 24.046 ( -6.146 0.000 5.369) 8.161 24.127 ( -2.793 0.000 1.030) 2.977 24.145 ( -5.463 0.000 2.418) 5.974 24.168 ( -4.673 0.000 -0.185) 4.677 24.641 ( -0.835 0.000 1.124) 1.400 24.711 ( -0.935 0.000 1.078) 1.427 24.725 ( -0.626 0.000 -1.758) 1.866 24.743 ( -0.091 0.000 1.388) 1.391 24.923 ( -0.200 0.000 -0.904) 0.926 24.923 ( 0.138 0.000 -0.838) 0.849 25.098 ( -4.345 0.000 6.543) 7.854 25.111 ( 0.028 0.000 4.221) 4.222 25.264 ( -10.744 0.000 4.751) 11.748 25.385 ( -7.296 0.000 -5.735) 9.281 25.445 ( -9.066 0.000 -2.289) 9.350 25.470 ( -8.464 0.000 -2.284) 8.767 25.756 ( -8.945 0.000 8.290) 12.195 25.838 ( -13.297 0.000 6.815) 14.942 25.910 ( -11.162 0.000 -1.634) 11.281 26.139 ( -12.282 0.000 -6.172) 13.746 ======================= Grid point 57 (24/40) ======================= q-point: ( 0.33 0.00 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.039 ( 20.966 0.000 9.642) 23.077 2.130 ( 15.264 0.000 -2.199) 15.422 2.290 ( 14.938 0.000 7.965) 16.929 2.684 ( 17.282 0.000 19.570) 26.108 2.893 ( 12.648 0.000 11.361) 17.001 3.002 ( 9.940 0.000 6.527) 11.891 3.105 ( 3.651 0.000 -10.418) 11.040 3.222 ( 20.371 0.000 -5.718) 21.159 3.232 ( 5.764 0.000 -5.951) 8.285 3.336 ( 10.049 0.000 -4.866) 11.165 3.460 ( -6.576 0.000 1.284) 6.700 3.532 ( 1.693 0.000 -7.049) 7.249 3.652 ( -5.858 0.000 -3.766) 6.964 3.694 ( 3.417 0.000 1.389) 3.688 3.765 ( 11.648 0.000 -1.524) 11.747 3.779 ( -1.283 0.000 -8.528) 8.624 4.010 ( 6.417 0.000 2.331) 6.828 4.049 ( 5.829 0.000 1.936) 6.143 4.222 ( -10.190 0.000 -0.040) 10.190 4.257 ( 11.688 0.000 2.463) 11.944 4.292 ( -4.144 0.000 -3.276) 5.282 4.310 ( -0.933 0.000 8.326) 8.378 4.488 ( 8.558 0.000 -3.117) 9.108 4.511 ( 10.126 0.000 -0.897) 10.166 4.588 ( -3.426 0.000 -2.475) 4.226 4.613 ( -4.943 0.000 -3.278) 5.932 4.735 ( -3.547 0.000 3.562) 5.027 4.737 ( -0.746 0.000 1.925) 2.065 4.835 ( -0.287 0.000 4.530) 4.539 4.916 ( 8.187 0.000 3.658) 8.967 4.940 ( -2.249 0.000 -2.927) 3.691 4.994 ( 2.868 0.000 6.571) 7.170 5.045 ( -6.848 0.000 2.992) 7.472 5.095 ( 7.531 0.000 2.281) 7.868 5.161 ( -2.887 0.000 5.420) 6.141 5.217 ( 0.964 0.000 0.386) 1.038 5.228 ( 15.225 0.000 -1.450) 15.294 5.229 ( 3.946 0.000 -7.290) 8.290 5.303 ( 8.605 0.000 -0.676) 8.631 5.433 ( -11.645 0.000 0.503) 11.656 5.491 ( -1.721 0.000 7.739) 7.928 5.606 ( 14.328 0.000 7.127) 16.003 5.688 ( 2.293 0.000 4.179) 4.766 5.766 ( 0.921 0.000 1.590) 1.838 5.900 ( -3.163 0.000 10.501) 10.967 5.977 ( -5.067 0.000 2.078) 5.477 6.026 ( 3.617 0.000 0.488) 3.650 6.079 ( 3.682 0.000 2.270) 4.326 6.135 ( 13.577 0.000 8.097) 15.808 6.161 ( -1.328 0.000 -9.531) 9.623 6.234 ( -2.113 0.000 5.426) 5.823 6.283 ( -3.318 0.000 0.785) 3.410 6.393 ( -9.238 0.000 -0.569) 9.256 6.479 ( -4.923 0.000 2.305) 5.436 6.523 ( -1.196 0.000 1.968) 2.303 6.547 ( 0.958 0.000 -3.454) 3.585 6.560 ( 1.694 0.000 -1.026) 1.980 6.682 ( -6.516 0.000 -6.685) 9.335 6.750 ( 3.668 0.000 -9.125) 9.834 6.776 ( 0.607 0.000 -8.348) 8.370 6.815 ( -5.637 0.000 4.300) 7.090 6.961 ( 7.161 0.000 -0.549) 7.182 6.988 ( -5.327 0.000 -1.922) 5.663 7.040 ( 7.069 0.000 -2.852) 7.622 7.137 ( -5.361 0.000 -12.789) 13.868 7.172 ( -0.943 0.000 -7.916) 7.972 7.206 ( 6.725 0.000 2.785) 7.279 7.209 ( 4.708 0.000 -4.241) 6.337 7.310 ( 7.841 0.000 -9.612) 12.405 7.384 ( -2.333 0.000 -4.560) 5.122 7.406 ( 4.236 0.000 -7.581) 8.685 7.459 ( -1.829 0.000 -6.266) 6.528 7.568 ( 0.807 0.000 6.010) 6.064 7.668 ( -1.347 0.000 0.429) 1.413 7.684 ( 2.538 0.000 1.306) 2.855 7.698 ( 2.310 0.000 -6.809) 7.190 7.790 ( -1.909 0.000 -1.819) 2.637 7.805 ( -0.170 0.000 3.282) 3.287 7.918 ( 6.469 0.000 -2.822) 7.057 7.927 ( -0.887 0.000 0.362) 0.958 8.116 ( -2.927 0.000 -5.943) 6.624 8.162 ( 1.478 0.000 -2.590) 2.982 8.239 ( 10.398 0.000 -2.115) 10.611 8.245 ( -1.682 0.000 -1.799) 2.463 8.437 ( 1.928 0.000 -0.353) 1.960 8.470 ( -10.824 0.000 0.775) 10.852 8.634 ( 3.443 0.000 1.895) 3.930 8.660 ( 8.496 0.000 4.633) 9.677 8.693 ( 4.955 0.000 1.307) 5.124 8.791 ( 8.705 0.000 -0.939) 8.755 8.896 ( 6.348 0.000 -6.365) 8.989 8.953 ( 3.151 0.000 -8.418) 8.988 9.010 ( 4.928 0.000 0.993) 5.027 9.055 ( 13.438 0.000 -5.085) 14.368 9.201 ( 6.512 0.000 2.138) 6.854 9.260 ( 9.689 0.000 -4.302) 10.602 9.274 ( -3.350 0.000 0.044) 3.350 9.343 ( 3.154 0.000 -4.984) 5.898 9.411 ( -5.716 0.000 7.196) 9.190 9.468 ( -11.713 0.000 5.063) 12.760 9.509 ( -1.067 0.000 3.048) 3.229 9.559 ( -1.783 0.000 0.469) 1.844 9.575 ( -3.491 0.000 5.046) 6.136 9.585 ( -7.495 0.000 7.545) 10.635 9.650 ( -0.047 0.000 3.242) 3.243 9.715 ( 1.350 0.000 -4.166) 4.379 9.791 ( 2.665 0.000 -0.516) 2.715 9.953 ( 7.740 0.000 -10.356) 12.929 9.997 ( -1.280 0.000 0.906) 1.568 10.028 ( -0.121 0.000 2.263) 2.266 10.156 ( -3.831 0.000 7.808) 8.698 10.163 ( 4.052 0.000 11.627) 12.313 10.182 ( 1.284 0.000 -2.205) 2.551 10.346 ( 4.046 0.000 4.852) 6.317 10.422 ( -7.228 0.000 -1.866) 7.465 10.596 ( 0.648 0.000 -10.101) 10.122 10.731 ( 5.368 0.000 -2.069) 5.753 10.739 ( 0.417 0.000 5.027) 5.045 10.768 ( 6.170 0.000 -1.612) 6.377 10.817 ( 7.637 0.000 0.418) 7.649 10.847 ( -6.415 0.000 3.036) 7.097 10.890 ( -9.776 0.000 0.603) 9.795 10.936 ( 9.034 0.000 -2.238) 9.307 11.021 ( -5.043 0.000 -0.783) 5.103 11.052 ( -3.924 0.000 -1.192) 4.101 11.070 ( -6.552 0.000 -5.109) 8.308 11.102 ( 7.645 0.000 -4.716) 8.982 11.106 ( 5.440 0.000 -3.317) 6.372 11.201 ( 7.792 0.000 2.923) 8.322 11.215 ( -7.107 0.000 0.457) 7.122 11.284 ( -0.032 0.000 2.309) 2.310 11.315 ( -3.615 0.000 3.395) 4.959 11.331 ( -14.841 0.000 0.548) 14.851 11.416 ( -1.245 0.000 -0.575) 1.372 11.445 ( -6.105 0.000 -1.068) 6.198 11.485 ( -5.987 0.000 -0.005) 5.987 11.495 ( -2.814 0.000 -3.814) 4.739 11.546 ( 0.906 0.000 -0.571) 1.071 11.573 ( -4.517 0.000 -3.082) 5.468 11.599 ( -2.311 0.000 -1.929) 3.010 11.893 ( -4.243 0.000 7.398) 8.529 11.897 ( -10.124 0.000 5.176) 11.370 12.025 ( -2.555 0.000 8.198) 8.587 12.043 ( -0.565 0.000 -0.902) 1.064 12.056 ( -4.053 0.000 5.877) 7.139 12.172 ( -3.050 0.000 9.447) 9.927 12.206 ( 4.908 0.000 -0.829) 4.977 12.244 ( -9.323 0.000 5.261) 10.705 12.414 ( -5.366 0.000 0.505) 5.390 12.446 ( -3.299 0.000 11.256) 11.729 12.480 ( -4.566 0.000 -3.809) 5.946 12.562 ( -5.050 0.000 2.331) 5.562 12.640 ( -2.683 0.000 9.575) 9.944 12.798 ( -1.336 0.000 7.733) 7.848 12.826 ( -0.725 0.000 -4.735) 4.790 12.859 ( -8.409 0.000 8.337) 11.841 12.995 ( 0.937 0.000 -0.654) 1.143 13.090 ( -7.409 0.000 3.720) 8.291 13.108 ( 4.632 0.000 -1.137) 4.769 13.218 ( -8.917 0.000 -5.445) 10.448 13.350 ( 11.753 0.000 -2.115) 11.941 13.372 ( 4.813 0.000 7.363) 8.796 13.496 ( -2.242 0.000 -4.138) 4.706 13.587 ( 4.224 0.000 -3.207) 5.303 13.669 ( -1.777 0.000 2.463) 3.037 13.723 ( 1.185 0.000 0.513) 1.291 13.761 ( -4.331 0.000 -0.220) 4.336 13.780 ( -2.488 0.000 -2.876) 3.803 14.182 ( 5.574 0.000 7.315) 9.196 14.265 ( 7.170 0.000 0.372) 7.180 14.366 ( 6.179 0.000 -5.488) 8.264 14.424 ( 1.517 0.000 6.290) 6.470 14.471 ( 2.381 0.000 0.393) 2.413 14.490 ( 4.024 0.000 -2.625) 4.805 14.574 ( 5.500 0.000 -9.113) 10.644 14.905 ( -3.609 0.000 -14.314) 14.762 15.243 ( 0.443 0.000 0.645) 0.783 15.278 ( 2.039 0.000 -0.710) 2.159 15.415 ( -3.651 0.000 -0.022) 3.651 15.446 ( -1.858 0.000 -1.655) 2.488 15.529 ( -5.972 0.000 2.717) 6.561 15.573 ( -6.360 0.000 1.719) 6.588 15.588 ( -5.528 0.000 -0.475) 5.548 15.631 ( -6.098 0.000 -1.206) 6.216 16.389 ( -0.441 0.000 1.340) 1.410 16.431 ( 0.172 0.000 1.206) 1.218 16.521 ( 0.312 0.000 -3.112) 3.128 16.550 ( -2.460 0.000 -0.907) 2.622 16.653 ( -7.088 0.000 3.844) 8.063 16.756 ( -8.331 0.000 -1.756) 8.514 16.814 ( -8.091 0.000 -3.785) 8.933 16.836 ( -9.137 0.000 -2.885) 9.581 20.239 ( 9.064 0.000 1.570) 9.199 20.241 ( 8.938 0.000 2.758) 9.354 20.346 ( 9.178 0.000 -3.481) 9.816 20.413 ( 7.285 0.000 -5.752) 9.283 20.650 ( -2.842 0.000 3.602) 4.589 20.731 ( -5.006 0.000 0.340) 5.018 20.814 ( -5.434 0.000 -0.909) 5.509 20.823 ( -4.994 0.000 -1.799) 5.309 21.862 ( 0.241 0.000 2.828) 2.839 21.962 ( -0.975 0.000 -1.697) 1.957 21.988 ( -3.461 0.000 2.044) 4.020 22.084 ( -3.916 0.000 -3.023) 4.947 22.176 ( -2.944 0.000 -0.559) 2.997 22.189 ( -1.499 0.000 -0.921) 1.759 22.314 ( -3.639 0.000 -0.425) 3.664 22.348 ( -5.221 0.000 -1.592) 5.459 22.689 ( 7.342 0.000 -0.543) 7.362 22.735 ( 3.901 0.000 -2.876) 4.847 22.795 ( 2.645 0.000 2.681) 3.766 22.859 ( 3.929 0.000 0.597) 3.974 22.894 ( 5.613 0.000 0.103) 5.614 22.897 ( 6.301 0.000 0.459) 6.318 22.930 ( 8.153 0.000 -0.509) 8.169 23.019 ( 0.082 0.000 -6.368) 6.369 23.349 ( 1.513 0.000 -1.127) 1.887 23.403 ( -1.044 0.000 -3.730) 3.874 23.536 ( -0.951 0.000 -1.493) 1.770 23.635 ( -5.304 0.000 -6.287) 8.226 23.891 ( -8.828 0.000 4.671) 9.987 23.985 ( -9.620 0.000 2.703) 9.992 24.012 ( -9.498 0.000 -1.233) 9.578 24.026 ( -8.146 0.000 -0.644) 8.171 24.628 ( -0.335 0.000 1.636) 1.670 24.679 ( -2.003 0.000 1.536) 2.524 24.687 ( -2.212 0.000 -0.095) 2.214 24.714 ( -2.760 0.000 1.641) 3.211 24.925 ( 1.140 0.000 1.257) 1.697 24.935 ( 0.295 0.000 2.531) 2.548 25.014 ( -2.771 0.000 1.533) 3.167 25.120 ( -3.239 0.000 0.991) 3.388 25.142 ( 2.497 0.000 2.730) 3.699 25.281 ( -5.656 0.000 -2.321) 6.114 25.318 ( 0.761 0.000 -5.481) 5.533 25.333 ( -3.608 0.000 -3.033) 4.713 25.564 ( -9.458 0.000 6.162) 11.288 25.587 ( -10.906 0.000 7.505) 13.239 25.681 ( -10.629 0.000 -0.839) 10.662 25.871 ( -13.011 0.000 -5.489) 14.121 ======================= Grid point 58 (25/40) ======================= q-point: ( 0.44 0.00 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.507 ( 20.006 0.000 -0.800) 20.022 2.522 ( 25.094 0.000 2.965) 25.269 2.638 ( 18.190 0.000 8.189) 19.948 2.866 ( -8.818 0.000 6.503) 10.956 2.997 ( -13.790 0.000 5.124) 14.711 3.051 ( -24.487 0.000 1.303) 24.522 3.105 ( 10.733 0.000 -0.289) 10.737 3.234 ( 4.915 0.000 -1.951) 5.288 3.345 ( 10.569 0.000 -4.953) 11.672 3.454 ( 1.722 0.000 -11.395) 11.524 3.475 ( 3.629 0.000 2.352) 4.325 3.567 ( -7.772 0.000 -5.325) 9.422 3.620 ( -3.004 0.000 -2.719) 4.051 3.671 ( 15.219 0.000 -2.455) 15.416 3.762 ( 0.861 0.000 -6.847) 6.901 3.900 ( -9.440 0.000 2.503) 9.766 3.919 ( 6.539 0.000 -2.991) 7.191 4.036 ( -9.731 0.000 -1.265) 9.813 4.084 ( -10.312 0.000 0.309) 10.316 4.140 ( -4.503 0.000 2.872) 5.341 4.252 ( 1.336 0.000 -0.402) 1.396 4.372 ( -8.354 0.000 1.339) 8.461 4.480 ( 7.873 0.000 -2.276) 8.195 4.587 ( -1.781 0.000 -11.440) 11.577 4.608 ( 1.903 0.000 4.224) 4.632 4.724 ( 11.025 0.000 6.649) 12.875 4.733 ( -8.065 0.000 10.803) 13.482 4.849 ( 7.638 0.000 4.395) 8.812 4.886 ( 7.694 0.000 3.782) 8.573 4.903 ( 9.730 0.000 2.276) 9.992 4.979 ( -9.872 0.000 -4.661) 10.917 4.997 ( -0.147 0.000 2.034) 2.039 5.087 ( -10.105 0.000 5.472) 11.491 5.119 ( -8.431 0.000 2.203) 8.714 5.138 ( 4.078 0.000 0.504) 4.109 5.191 ( 2.310 0.000 -2.100) 3.122 5.354 ( 12.490 0.000 2.741) 12.788 5.380 ( 15.126 0.000 4.738) 15.850 5.520 ( 7.787 0.000 6.837) 10.363 5.602 ( 16.583 0.000 -3.719) 16.995 5.616 ( -7.352 0.000 4.248) 8.491 5.704 ( -7.234 0.000 8.365) 11.059 5.729 ( 14.144 0.000 -6.158) 15.427 5.816 ( -1.940 0.000 0.421) 1.985 5.843 ( -6.061 0.000 1.440) 6.229 5.888 ( 7.025 0.000 3.442) 7.822 6.036 ( -6.340 0.000 -2.136) 6.690 6.054 ( -12.553 0.000 -6.362) 14.073 6.105 ( 4.433 0.000 -2.127) 4.917 6.220 ( 3.291 0.000 4.149) 5.295 6.223 ( -5.446 0.000 3.284) 6.360 6.260 ( 3.307 0.000 0.870) 3.420 6.445 ( 1.053 0.000 5.671) 5.768 6.450 ( 6.149 0.000 6.143) 8.692 6.509 ( 7.183 0.000 -1.170) 7.278 6.558 ( -5.148 0.000 5.695) 7.677 6.579 ( -4.119 0.000 5.015) 6.490 6.608 ( 4.601 0.000 -1.917) 4.984 6.723 ( -9.392 0.000 -4.105) 10.250 6.772 ( -8.506 0.000 -0.065) 8.506 6.789 ( 8.025 0.000 -8.431) 11.640 6.847 ( 6.269 0.000 -7.746) 9.965 7.000 ( -7.219 0.000 -6.550) 9.748 7.008 ( -7.801 0.000 -6.583) 10.207 7.147 ( 3.346 0.000 -2.575) 4.222 7.162 ( 2.908 0.000 0.435) 2.940 7.247 ( -3.642 0.000 1.950) 4.131 7.254 ( -4.934 0.000 -0.172) 4.937 7.379 ( 3.968 0.000 -2.598) 4.743 7.447 ( 5.955 0.000 -7.486) 9.566 7.472 ( -1.230 0.000 0.096) 1.234 7.505 ( 6.911 0.000 -5.364) 8.748 7.572 ( 0.254 0.000 -1.669) 1.689 7.586 ( 0.084 0.000 -4.937) 4.938 7.650 ( -2.933 0.000 -4.737) 5.571 7.721 ( -3.960 0.000 0.640) 4.011 7.835 ( 5.387 0.000 -7.969) 9.619 7.888 ( 1.795 0.000 -0.547) 1.876 7.945 ( 9.550 0.000 -4.635) 10.615 8.015 ( -4.528 0.000 1.936) 4.925 8.041 ( 4.271 0.000 -2.737) 5.073 8.118 ( -3.689 0.000 -1.047) 3.835 8.129 ( -11.117 0.000 -1.358) 11.200 8.165 ( -10.912 0.000 -3.580) 11.484 8.397 ( 7.177 0.000 4.352) 8.393 8.541 ( -5.882 0.000 5.728) 8.210 8.726 ( 13.411 0.000 -7.561) 15.396 8.811 ( 3.129 0.000 -5.814) 6.603 8.947 ( 12.663 0.000 1.513) 12.753 8.988 ( 7.442 0.000 0.950) 7.502 9.052 ( 4.332 0.000 -2.386) 4.946 9.096 ( 3.362 0.000 -0.047) 3.362 9.206 ( -5.402 0.000 0.487) 5.424 9.212 ( 8.814 0.000 0.851) 8.855 9.235 ( -7.308 0.000 3.901) 8.285 9.256 ( -5.107 0.000 3.311) 6.086 9.275 ( 2.805 0.000 -2.319) 3.640 9.301 ( 5.236 0.000 -0.723) 5.286 9.392 ( 1.849 0.000 0.861) 2.040 9.416 ( -2.335 0.000 -2.162) 3.183 9.424 ( 5.710 0.000 4.842) 7.486 9.550 ( 9.518 0.000 2.988) 9.976 9.606 ( 4.479 0.000 0.338) 4.492 9.697 ( 2.944 0.000 -3.216) 4.360 9.713 ( 4.687 0.000 6.647) 8.133 9.763 ( 2.033 0.000 -0.945) 2.242 9.858 ( 12.084 0.000 -4.023) 12.736 9.908 ( -1.203 0.000 2.728) 2.982 10.018 ( -2.554 0.000 2.461) 3.546 10.104 ( -2.344 0.000 2.994) 3.803 10.118 ( -5.191 0.000 0.082) 5.192 10.167 ( 5.199 0.000 -12.371) 13.420 10.173 ( -4.644 0.000 3.382) 5.745 10.273 ( -5.390 0.000 7.492) 9.229 10.338 ( -13.151 0.000 8.989) 15.930 10.368 ( -3.458 0.000 -4.049) 5.325 10.523 ( -23.368 0.000 5.279) 23.957 10.542 ( -14.218 0.000 -12.776) 19.114 10.664 ( -4.630 0.000 -6.210) 7.746 10.702 ( -7.872 0.000 -4.733) 9.185 10.839 ( 2.511 0.000 2.288) 3.397 10.882 ( -0.181 0.000 1.712) 1.721 10.953 ( 4.002 0.000 -2.775) 4.870 11.003 ( -1.005 0.000 -2.840) 3.013 11.015 ( 5.830 0.000 0.549) 5.856 11.093 ( 4.311 0.000 -2.440) 4.953 11.164 ( -4.688 0.000 -0.460) 4.711 11.180 ( -1.075 0.000 -4.689) 4.811 11.218 ( 4.698 0.000 0.483) 4.723 11.218 ( 3.892 0.000 1.454) 4.154 11.271 ( -0.790 0.000 1.812) 1.977 11.307 ( 0.634 0.000 1.648) 1.765 11.312 ( -2.003 0.000 -1.535) 2.524 11.379 ( 1.598 0.000 2.032) 2.585 11.405 ( 2.578 0.000 -0.988) 2.761 11.464 ( -2.073 0.000 -2.156) 2.991 11.471 ( 2.058 0.000 1.178) 2.372 11.550 ( -3.480 0.000 2.566) 4.323 11.572 ( 2.918 0.000 0.409) 2.947 11.631 ( 0.661 0.000 0.489) 0.822 11.772 ( 3.281 0.000 0.260) 3.291 11.853 ( 2.711 0.000 3.307) 4.276 11.953 ( -8.716 0.000 -2.683) 9.119 11.972 ( -2.533 0.000 4.840) 5.463 11.999 ( -3.281 0.000 13.599) 13.989 12.030 ( -6.421 0.000 3.782) 7.453 12.241 ( 5.765 0.000 11.366) 12.744 12.298 ( 3.060 0.000 -1.989) 3.650 12.370 ( -5.314 0.000 9.621) 10.991 12.371 ( 3.504 0.000 0.482) 3.537 12.382 ( -5.033 0.000 -0.573) 5.066 12.470 ( -4.480 0.000 2.119) 4.956 12.600 ( 0.929 0.000 11.096) 11.135 12.693 ( -7.017 0.000 8.221) 10.808 12.825 ( 3.896 0.000 7.394) 8.358 12.857 ( 3.989 0.000 -5.868) 7.095 12.940 ( -6.736 0.000 4.138) 7.906 12.977 ( -5.756 0.000 -4.896) 7.557 13.077 ( -0.180 0.000 -3.290) 3.295 13.125 ( -2.321 0.000 -1.899) 2.999 13.452 ( 2.512 0.000 4.949) 5.550 13.477 ( -0.072 0.000 1.503) 1.505 13.553 ( 7.585 0.000 -3.142) 8.210 13.648 ( -0.201 0.000 -3.796) 3.801 13.653 ( 0.293 0.000 1.507) 1.535 13.686 ( -2.809 0.000 1.111) 3.020 13.720 ( -0.575 0.000 -1.238) 1.365 13.738 ( -1.215 0.000 -1.663) 2.060 14.294 ( 4.695 0.000 7.455) 8.811 14.352 ( 0.008 0.000 6.022) 6.022 14.458 ( 2.565 0.000 -0.381) 2.593 14.479 ( 4.340 0.000 -4.763) 6.443 14.496 ( -0.374 0.000 -1.573) 1.617 14.531 ( -0.396 0.000 -3.536) 3.558 14.694 ( 6.068 0.000 -11.286) 12.814 14.814 ( -5.237 0.000 -12.820) 13.848 15.280 ( 3.057 0.000 1.748) 3.521 15.342 ( 3.861 0.000 -1.360) 4.094 15.352 ( -3.102 0.000 1.648) 3.513 15.411 ( -2.024 0.000 -1.642) 2.606 15.434 ( -2.058 0.000 2.535) 3.265 15.461 ( -3.954 0.000 2.262) 4.555 15.495 ( -2.406 0.000 -0.376) 2.435 15.519 ( -4.056 0.000 -0.913) 4.157 16.404 ( 2.234 0.000 2.817) 3.595 16.448 ( 1.712 0.000 2.143) 2.742 16.479 ( -4.288 0.000 3.225) 5.366 16.508 ( -3.441 0.000 2.006) 3.984 16.568 ( 1.667 0.000 -2.628) 3.113 16.639 ( -1.907 0.000 -4.419) 4.813 16.665 ( -6.870 0.000 -3.430) 7.679 16.674 ( -4.753 0.000 -4.085) 6.268 20.411 ( 7.179 0.000 2.677) 7.662 20.416 ( 7.697 0.000 1.577) 7.857 20.495 ( 2.759 0.000 -0.953) 2.919 20.517 ( 0.682 0.000 -0.920) 1.145 20.591 ( -0.315 0.000 1.112) 1.156 20.643 ( -1.089 0.000 -1.781) 2.088 20.691 ( -6.313 0.000 -1.854) 6.580 20.715 ( -5.304 0.000 -2.893) 6.041 21.876 ( 1.303 0.000 2.207) 2.563 21.920 ( -2.870 0.000 1.831) 3.405 21.960 ( 0.998 0.000 -1.781) 2.042 22.005 ( -3.234 0.000 -2.416) 4.037 22.157 ( 1.319 0.000 0.081) 1.321 22.178 ( 0.886 0.000 -0.903) 1.265 22.228 ( -5.236 0.000 -0.408) 5.252 22.229 ( -3.812 0.000 -0.734) 3.882 22.820 ( 3.837 0.000 -0.736) 3.907 22.827 ( 5.923 0.000 -0.592) 5.953 22.851 ( 1.575 0.000 2.220) 2.722 22.923 ( -2.643 0.000 -0.268) 2.657 22.968 ( 5.805 0.000 -1.954) 6.125 22.972 ( 1.203 0.000 1.452) 1.885 22.997 ( -1.870 0.000 -2.407) 3.048 23.041 ( 0.568 0.000 -1.841) 1.926 23.460 ( 8.354 0.000 -0.233) 8.357 23.501 ( 9.622 0.000 -1.895) 9.807 23.568 ( 3.018 0.000 -0.927) 3.157 23.609 ( 3.371 0.000 -3.536) 4.886 23.699 ( -7.845 0.000 1.438) 7.976 23.773 ( -9.849 0.000 0.622) 9.869 23.776 ( -11.406 0.000 -1.783) 11.545 23.821 ( -10.732 0.000 -2.174) 10.950 24.630 ( 0.590 0.000 2.139) 2.219 24.646 ( -0.663 0.000 1.517) 1.656 24.653 ( -1.142 0.000 1.626) 1.987 24.657 ( -2.133 0.000 2.237) 3.091 24.945 ( 0.871 0.000 1.197) 1.480 24.969 ( 3.112 0.000 -0.774) 3.207 24.972 ( -1.674 0.000 -0.376) 1.716 25.047 ( -4.061 0.000 -2.407) 4.720 25.234 ( 5.939 0.000 4.277) 7.319 25.254 ( 3.014 0.000 1.552) 3.390 25.335 ( 3.671 0.000 -2.157) 4.258 25.378 ( -7.887 0.000 3.817) 8.762 25.388 ( -8.370 0.000 6.827) 10.801 25.398 ( 4.602 0.000 -3.664) 5.882 25.491 ( -5.707 0.000 -1.807) 5.986 25.617 ( -11.081 0.000 -4.568) 11.986 ======================= Grid point 63 (26/40) ======================= q-point: ( 0.00 0.33 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( 0.000 14.690 33.361) 36.452 1.479 ( 0.000 8.713 33.752) 34.859 1.796 ( 0.000 -23.043 17.096) 28.693 1.797 ( 0.000 -20.920 24.422) 32.157 2.308 ( 0.000 3.612 -10.958) 11.538 2.364 ( 0.000 0.359 -2.152) 2.181 2.522 ( 0.000 24.645 40.347) 47.279 2.732 ( 0.000 6.264 -14.657) 15.940 2.747 ( 0.000 15.869 -14.926) 21.786 2.808 ( 0.000 3.425 1.563) 3.765 2.868 ( 0.000 1.722 -6.860) 7.073 2.888 ( 0.000 -11.697 11.058) 16.097 3.021 ( 0.000 3.564 -0.221) 3.570 3.053 ( 0.000 -1.166 4.174) 4.334 3.211 ( 0.000 -6.067 -3.927) 7.226 3.237 ( 0.000 -10.673 -6.708) 12.606 3.290 ( 0.000 -0.891 -2.385) 2.546 3.353 ( 0.000 -14.397 4.001) 14.942 3.500 ( 0.000 5.051 1.408) 5.243 3.605 ( 0.000 -5.605 1.336) 5.762 4.026 ( 0.000 3.213 10.886) 11.350 4.102 ( 0.000 -4.886 11.936) 12.897 4.426 ( 0.000 5.414 1.532) 5.627 4.542 ( 0.000 -5.576 -7.029) 8.972 4.581 ( 0.000 7.214 4.421) 8.461 4.693 ( 0.000 -4.814 0.916) 4.901 4.750 ( 0.000 12.063 -0.334) 12.068 4.842 ( 0.000 1.707 -1.212) 2.093 4.897 ( 0.000 -1.540 6.317) 6.502 4.964 ( 0.000 -9.599 -3.160) 10.106 5.101 ( 0.000 0.697 -16.193) 16.208 5.107 ( 0.000 -0.196 -11.911) 11.912 5.153 ( 0.000 1.112 -3.903) 4.058 5.186 ( 0.000 1.935 13.682) 13.818 5.299 ( 0.000 5.610 1.209) 5.738 5.347 ( 0.000 -3.703 7.752) 8.591 5.399 ( 0.000 4.158 7.342) 8.438 5.411 ( 0.000 2.509 9.010) 9.353 5.489 ( 0.000 4.689 5.969) 7.590 5.527 ( 0.000 -1.022 7.985) 8.050 5.541 ( 0.000 0.001 -0.023) 0.023 5.623 ( 0.000 4.242 -0.273) 4.251 5.623 ( 0.000 -3.697 0.791) 3.780 5.726 ( 0.000 -6.113 -1.852) 6.388 5.781 ( 0.000 -3.431 3.753) 5.085 5.832 ( 0.000 1.741 -3.581) 3.981 5.886 ( 0.000 -12.523 -5.373) 13.627 5.940 ( 0.000 -8.819 -8.822) 12.474 6.190 ( 0.000 5.830 -7.235) 9.292 6.245 ( 0.000 1.505 -6.243) 6.422 6.257 ( 0.000 7.328 -8.650) 11.336 6.338 ( 0.000 -2.394 -15.006) 15.195 6.415 ( 0.000 11.269 2.684) 11.584 6.469 ( 0.000 5.287 -4.448) 6.909 6.603 ( 0.000 1.394 3.930) 4.170 6.702 ( 0.000 -6.281 -2.263) 6.676 6.725 ( 0.000 -0.627 -1.689) 1.801 6.738 ( 0.000 -1.856 -0.407) 1.900 6.827 ( 0.000 8.361 -12.367) 14.928 6.869 ( 0.000 0.392 -3.809) 3.829 6.960 ( 0.000 0.221 -1.320) 1.339 6.966 ( 0.000 2.483 4.387) 5.041 7.038 ( 0.000 -1.526 4.105) 4.380 7.048 ( 0.000 -3.666 -1.572) 3.989 7.136 ( 0.000 1.468 -1.395) 2.025 7.148 ( 0.000 -0.046 -0.671) 0.672 7.174 ( 0.000 -2.756 -5.339) 6.008 7.219 ( 0.000 -5.511 -4.584) 7.168 7.236 ( 0.000 -0.664 0.189) 0.691 7.300 ( 0.000 -5.173 -7.256) 8.911 7.362 ( 0.000 1.357 -3.406) 3.666 7.405 ( 0.000 -4.161 -5.104) 6.585 7.488 ( 0.000 4.764 -10.947) 11.939 7.601 ( 0.000 1.126 -4.128) 4.279 7.617 ( 0.000 -6.111 -9.976) 11.699 7.618 ( 0.000 0.564 -4.562) 4.597 7.746 ( 0.000 2.527 -1.029) 2.729 7.779 ( 0.000 -1.718 -1.785) 2.478 7.811 ( 0.000 2.146 -2.794) 3.523 7.832 ( 0.000 -0.567 -2.704) 2.763 8.129 ( 0.000 6.398 -1.531) 6.579 8.192 ( 0.000 -0.541 1.449) 1.547 8.218 ( 0.000 3.764 6.460) 7.476 8.295 ( 0.000 -4.054 2.575) 4.803 8.379 ( 0.000 5.597 -1.907) 5.913 8.427 ( 0.000 2.269 -7.109) 7.462 8.486 ( 0.000 -3.859 -6.312) 7.398 8.501 ( 0.000 -1.068 -5.490) 5.593 8.556 ( 0.000 2.686 -3.481) 4.397 8.660 ( 0.000 -5.144 8.164) 9.650 8.802 ( 0.000 0.201 1.047) 1.066 8.804 ( 0.000 2.825 -10.959) 11.317 8.854 ( 0.000 3.005 -0.425) 3.035 8.961 ( 0.000 -6.890 -7.287) 10.029 9.060 ( 0.000 -0.704 -6.296) 6.336 9.082 ( 0.000 -2.186 -8.037) 8.329 9.297 ( 0.000 4.739 9.905) 10.980 9.383 ( 0.000 -4.208 11.525) 12.269 9.450 ( 0.000 -1.930 3.743) 4.211 9.450 ( 0.000 -1.393 4.781) 4.980 9.528 ( 0.000 3.177 6.270) 7.029 9.548 ( 0.000 0.896 8.988) 9.033 9.678 ( 0.000 7.583 6.253) 9.828 9.760 ( 0.000 3.883 3.378) 5.146 9.762 ( 0.000 -2.016 8.036) 8.285 9.887 ( 0.000 -7.159 1.428) 7.300 9.911 ( 0.000 3.977 -2.497) 4.695 9.961 ( 0.000 -2.193 -1.026) 2.421 10.046 ( 0.000 3.898 7.816) 8.734 10.118 ( 0.000 -0.268 1.094) 1.126 10.123 ( 0.000 -1.800 1.367) 2.260 10.144 ( 0.000 -1.748 0.159) 1.756 10.202 ( 0.000 1.024 1.981) 2.230 10.223 ( 0.000 -1.090 3.576) 3.738 10.315 ( 0.000 2.914 2.307) 3.717 10.335 ( 0.000 0.794 8.709) 8.745 10.418 ( 0.000 -3.388 -7.353) 8.096 10.423 ( 0.000 -3.359 -4.669) 5.752 10.555 ( 0.000 0.735 -0.452) 0.863 10.562 ( 0.000 -0.272 3.924) 3.934 10.635 ( 0.000 1.973 0.323) 1.999 10.666 ( 0.000 -1.442 -1.615) 2.165 10.730 ( 0.000 4.467 -0.976) 4.572 10.797 ( 0.000 -2.512 -1.997) 3.209 10.930 ( 0.000 3.102 4.255) 5.265 10.998 ( 0.000 -3.917 3.399) 5.186 11.079 ( 0.000 2.277 -0.206) 2.287 11.126 ( 0.000 -2.917 -0.913) 3.056 11.173 ( 0.000 6.483 1.658) 6.691 11.261 ( 0.000 -1.584 0.439) 1.643 11.375 ( 0.000 2.979 -1.873) 3.518 11.421 ( 0.000 -2.741 -3.753) 4.647 11.438 ( 0.000 1.697 -7.077) 7.277 11.522 ( 0.000 3.306 -7.373) 8.081 11.570 ( 0.000 -11.854 -6.131) 13.346 11.576 ( 0.000 -3.137 -2.410) 3.956 11.667 ( 0.000 2.148 5.259) 5.681 11.741 ( 0.000 -6.669 6.239) 9.133 11.848 ( 0.000 4.198 -1.929) 4.620 11.926 ( 0.000 -1.462 -0.984) 1.762 11.992 ( 0.000 6.473 0.444) 6.488 12.086 ( 0.000 4.363 -2.914) 5.246 12.115 ( 0.000 -5.570 0.976) 5.655 12.159 ( 0.000 -3.011 0.178) 3.016 12.195 ( 0.000 7.912 0.011) 7.912 12.301 ( 0.000 -3.191 0.946) 3.328 12.315 ( 0.000 6.169 -2.152) 6.534 12.407 ( 0.000 -3.893 -1.847) 4.310 12.688 ( 0.000 -0.434 3.400) 3.427 12.712 ( 0.000 -2.771 0.685) 2.854 12.720 ( 0.000 2.787 2.412) 3.686 12.786 ( 0.000 -1.815 6.098) 6.362 12.804 ( 0.000 1.637 4.447) 4.739 12.845 ( 0.000 -4.001 -4.600) 6.097 12.874 ( 0.000 2.271 1.923) 2.976 12.899 ( 0.000 -0.509 0.486) 0.704 13.113 ( 0.000 11.178 3.653) 11.759 13.174 ( 0.000 1.228 0.039) 1.229 13.194 ( 0.000 -2.258 3.239) 3.948 13.251 ( 0.000 -2.494 1.416) 2.868 13.330 ( 0.000 0.586 5.276) 5.308 13.432 ( 0.000 -8.462 4.680) 9.670 13.469 ( 0.000 4.669 -1.768) 4.993 13.521 ( 0.000 -0.289 -0.654) 0.715 13.792 ( 0.000 -0.690 1.863) 1.987 13.801 ( 0.000 -2.191 2.699) 3.476 13.847 ( 0.000 -1.354 1.171) 1.790 13.862 ( 0.000 -3.392 2.787) 4.390 13.947 ( 0.000 1.016 4.950) 5.053 13.961 ( 0.000 -1.091 0.583) 1.237 14.145 ( 0.000 4.970 -4.905) 6.983 14.216 ( 0.000 -2.917 -4.930) 5.728 14.356 ( 0.000 -0.101 9.558) 9.559 14.381 ( 0.000 -2.536 12.105) 12.367 14.491 ( 0.000 7.846 4.127) 8.865 14.693 ( 0.000 -15.543 0.078) 15.543 15.366 ( 0.000 4.848 -2.857) 5.628 15.454 ( 0.000 -4.381 -1.975) 4.806 15.484 ( 0.000 10.441 -9.222) 13.930 15.593 ( 0.000 -2.462 -7.524) 7.917 15.804 ( 0.000 0.083 0.689) 0.694 15.808 ( 0.000 -0.361 2.944) 2.966 15.853 ( 0.000 0.696 -0.609) 0.925 15.869 ( 0.000 -0.972 -0.239) 1.001 16.397 ( 0.000 1.391 0.097) 1.395 16.423 ( 0.000 0.831 -1.089) 1.369 16.424 ( 0.000 -1.393 -0.066) 1.395 16.438 ( 0.000 -0.732 -0.745) 1.044 16.991 ( 0.000 2.207 6.594) 6.953 17.052 ( 0.000 -4.397 5.825) 7.299 17.173 ( 0.000 1.368 -2.989) 3.288 17.200 ( 0.000 -1.340 -2.270) 2.636 19.827 ( 0.000 0.047 0.393) 0.396 19.828 ( 0.000 -0.048 0.455) 0.458 19.842 ( 0.000 0.047 -0.394) 0.397 19.843 ( 0.000 -0.130 -0.329) 0.353 20.752 ( 0.000 5.140 4.871) 7.081 20.900 ( 0.000 2.926 -2.878) 4.104 20.914 ( 0.000 -13.693 4.571) 14.436 20.965 ( 0.000 -3.826 0.219) 3.832 21.983 ( 0.000 2.907 -0.288) 2.921 22.031 ( 0.000 -2.227 2.450) 3.311 22.064 ( 0.000 12.754 -5.663) 13.955 22.179 ( 0.000 -1.659 -1.720) 2.389 22.203 ( 0.000 1.415 -1.096) 1.790 22.239 ( 0.000 1.291 -0.293) 1.324 22.250 ( 0.000 -2.637 -0.843) 2.768 22.265 ( 0.000 -1.493 -0.798) 1.693 22.530 ( 0.000 5.889 1.414) 6.057 22.581 ( 0.000 -1.191 0.607) 1.336 22.589 ( 0.000 4.344 -2.410) 4.967 22.638 ( 0.000 -1.076 -2.910) 3.102 22.697 ( 0.000 4.299 1.142) 4.448 22.797 ( 0.000 15.378 -6.288) 16.614 22.849 ( 0.000 -10.737 3.430) 11.271 23.111 ( 0.000 -15.287 -13.419) 20.341 23.510 ( 0.000 6.103 4.399) 7.524 23.607 ( 0.000 -4.109 4.976) 6.453 23.813 ( 0.000 3.657 -12.346) 12.876 23.871 ( 0.000 -2.432 -8.597) 8.934 24.167 ( 0.000 0.431 2.735) 2.768 24.178 ( 0.000 -0.668 3.448) 3.512 24.234 ( 0.000 0.200 0.765) 0.791 24.236 ( 0.000 0.117 0.998) 1.005 24.673 ( 0.000 0.612 -0.761) 0.977 24.692 ( 0.000 -1.579 0.154) 1.587 24.699 ( 0.000 1.640 -1.829) 2.457 24.736 ( 0.000 -1.971 -0.332) 1.999 24.895 ( 0.000 4.127 1.891) 4.539 25.015 ( 0.000 -8.279 6.725) 10.666 25.087 ( 0.000 9.246 -5.618) 10.820 25.209 ( 0.000 -2.847 -0.757) 2.946 25.634 ( 0.000 -0.064 1.936) 1.937 25.650 ( 0.000 -1.203 3.451) 3.655 25.690 ( 0.000 1.003 0.042) 1.004 25.703 ( 0.000 -0.456 0.011) 0.456 26.055 ( 0.000 5.257 5.896) 7.899 26.198 ( 0.000 -9.389 5.741) 11.006 26.294 ( 0.000 6.456 -6.059) 8.854 26.400 ( 0.000 -4.622 -5.046) 6.843 ======================= Grid point 64 (27/40) ======================= q-point: ( 0.11 0.33 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.411 ( 3.719 1.052 32.256) 32.487 1.596 ( -2.245 -17.725 23.518) 29.535 1.844 ( 22.897 12.505 24.859) 36.036 2.134 ( 18.735 -18.582 21.527) 34.054 2.346 ( 0.620 14.103 -6.743) 15.644 2.509 ( 14.300 -3.308 -7.254) 16.373 2.648 ( 10.145 18.469 22.608) 30.905 2.786 ( 6.826 7.020 -4.086) 10.610 2.823 ( 2.592 8.400 7.782) 11.740 2.889 ( 9.586 2.465 -18.909) 21.343 2.975 ( 13.383 -0.044 4.120) 14.003 3.017 ( 10.907 -2.302 2.838) 11.503 3.105 ( 7.525 -4.827 -2.688) 9.335 3.244 ( 15.945 -4.191 3.440) 16.842 3.360 ( 15.253 -0.393 -4.582) 15.931 3.384 ( 12.166 -4.928 0.369) 13.131 3.427 ( 10.257 -1.177 -2.805) 10.699 3.521 ( 10.098 -10.053 2.107) 14.404 3.575 ( 12.407 1.420 -3.257) 12.906 3.719 ( 11.805 -8.923 -1.663) 14.891 4.133 ( 9.758 3.396 5.873) 11.884 4.183 ( 6.903 -1.365 6.341) 9.473 4.382 ( -0.277 3.761 -2.560) 4.558 4.422 ( -3.520 -0.217 -2.364) 4.245 4.710 ( -2.885 -0.240 1.819) 3.419 4.745 ( 0.863 -3.433 2.850) 4.545 4.774 ( 5.376 5.305 1.619) 7.724 4.836 ( 1.677 -1.261 5.351) 5.748 4.928 ( -3.262 -0.332 0.328) 3.295 4.952 ( 0.920 -2.466 -1.120) 2.861 5.035 ( -6.472 1.856 0.328) 6.741 5.074 ( -5.043 -2.155 -4.055) 6.820 5.175 ( 0.032 6.741 1.073) 6.826 5.209 ( 2.600 3.686 -2.947) 5.388 5.256 ( -1.900 2.776 5.614) 6.545 5.304 ( 1.250 -4.070 4.298) 6.050 5.354 ( -7.949 -0.897 2.690) 8.440 5.386 ( -7.723 -1.352 2.508) 8.232 5.429 ( -5.268 3.895 9.150) 11.254 5.486 ( 0.581 0.034 8.222) 8.243 5.518 ( -2.298 3.194 4.438) 5.931 5.581 ( -2.869 -2.095 2.594) 4.399 5.677 ( -3.152 0.832 -2.267) 3.971 5.706 ( 3.500 1.113 -3.491) 5.067 5.759 ( 0.486 -1.048 1.571) 1.950 5.807 ( 0.423 -2.615 -1.718) 3.157 5.954 ( 6.666 -4.611 -11.527) 14.092 5.977 ( 6.519 -10.180 -9.197) 15.190 6.121 ( -4.366 4.557 -3.044) 7.007 6.134 ( -4.937 4.078 -2.450) 6.857 6.289 ( -2.381 0.776 -2.348) 3.433 6.334 ( -0.469 -2.486 -12.160) 12.420 6.427 ( 1.904 8.022 -1.861) 8.453 6.474 ( -0.808 3.898 -2.471) 4.685 6.578 ( -1.757 1.689 -0.501) 2.488 6.658 ( -3.853 -6.481 0.337) 7.548 6.717 ( -3.588 0.827 0.913) 3.794 6.739 ( -0.984 -0.961 -3.566) 3.822 6.808 ( -1.421 3.469 -4.707) 6.017 6.843 ( -0.714 0.292 -1.891) 2.042 6.908 ( -4.363 -0.178 -2.164) 4.873 6.961 ( -4.147 -2.341 1.915) 5.132 6.991 ( 0.271 2.463 -4.473) 5.113 7.011 ( -4.063 -2.685 -1.819) 5.199 7.083 ( 0.621 -0.256 -2.162) 2.264 7.117 ( -2.232 -2.746 -3.896) 5.263 7.182 ( 2.689 2.770 2.853) 4.800 7.214 ( -1.720 -1.863 -5.305) 5.880 7.324 ( 4.941 3.571 -4.330) 7.477 7.363 ( -1.551 3.062 -7.625) 8.362 7.421 ( 4.282 0.577 -5.176) 6.742 7.448 ( -5.055 -0.387 -3.791) 6.330 7.461 ( 4.352 -3.320 -7.241) 9.077 7.566 ( -2.175 -7.048 -6.332) 9.721 7.581 ( -3.766 1.133 -2.866) 4.867 7.607 ( -1.865 1.103 -2.001) 2.950 7.656 ( -0.812 -1.913 0.242) 2.092 7.690 ( 2.223 -4.406 -2.130) 5.375 7.840 ( 1.242 3.594 -4.190) 5.658 7.876 ( 3.582 0.167 -5.739) 6.767 8.130 ( 0.355 6.682 3.484) 7.544 8.161 ( -0.177 1.268 0.494) 1.372 8.261 ( 2.975 7.257 1.265) 7.945 8.349 ( -0.132 -2.175 1.086) 2.435 8.394 ( -0.247 -0.510 -8.307) 8.326 8.429 ( -0.354 -0.034 -4.287) 4.301 8.440 ( -3.144 0.869 -4.296) 5.394 8.501 ( 1.215 -7.362 -3.467) 8.228 8.588 ( 2.744 -0.782 -1.096) 3.057 8.621 ( -0.061 -3.090 3.321) 4.536 8.844 ( 3.115 4.808 -4.623) 7.362 8.888 ( 3.489 0.844 -7.562) 8.371 8.964 ( 6.159 1.321 1.569) 6.491 9.004 ( 3.105 -4.754 0.417) 5.694 9.158 ( 2.360 -1.432 -6.516) 7.077 9.184 ( 6.377 -3.705 -4.552) 8.668 9.227 ( -1.584 3.157 7.291) 8.102 9.294 ( -6.033 -3.830 7.394) 10.283 9.410 ( -1.406 2.688 4.899) 5.762 9.437 ( 2.321 -0.877 0.977) 2.667 9.505 ( -0.103 2.435 5.178) 5.723 9.537 ( -0.329 -0.341 5.945) 5.964 9.670 ( -1.123 7.788 5.508) 9.605 9.757 ( -0.225 0.316 6.879) 6.890 9.786 ( 1.296 1.167 6.156) 6.399 9.871 ( -2.276 -6.786 1.636) 7.342 9.879 ( -6.504 2.951 1.200) 7.242 9.913 ( -3.996 -0.229 -1.148) 4.164 9.970 ( -2.232 2.355 0.976) 3.388 10.035 ( -3.744 -3.663 1.920) 5.579 10.130 ( -1.242 2.014 0.581) 2.436 10.185 ( -0.115 -2.173 4.447) 4.951 10.256 ( 3.446 0.830 1.741) 3.949 10.288 ( 5.677 -1.075 4.329) 7.220 10.360 ( 5.033 0.494 1.103) 5.176 10.374 ( 2.263 -0.787 5.480) 5.980 10.445 ( 2.786 -0.664 -2.497) 3.800 10.464 ( 4.611 -1.904 -2.593) 5.622 10.539 ( 1.132 2.122 4.864) 5.426 10.588 ( 3.687 -2.793 3.629) 5.879 10.659 ( 1.621 3.715 -1.638) 4.371 10.700 ( 1.675 -0.267 -3.336) 3.742 10.751 ( 4.511 2.392 -2.063) 5.508 10.791 ( 1.199 -1.670 -3.052) 3.680 10.952 ( 2.107 2.791 2.730) 4.436 11.021 ( 1.414 -3.196 2.799) 4.478 11.079 ( 0.094 2.032 -0.967) 2.253 11.118 ( -0.309 -1.972 -1.306) 2.385 11.198 ( 2.250 3.039 0.331) 3.795 11.244 ( -0.657 -0.041 -0.197) 0.687 11.348 ( -2.852 -1.061 -3.281) 4.475 11.357 ( -2.935 -2.314 -4.060) 5.518 11.482 ( 1.932 3.805 -3.319) 5.406 11.510 ( -0.357 2.369 -4.564) 5.154 11.556 ( -0.577 -0.706 0.809) 1.219 11.599 ( 1.474 -7.388 -3.670) 8.380 11.725 ( 1.339 -1.176 0.549) 1.865 11.775 ( 1.926 -5.649 4.980) 7.773 11.838 ( -2.296 3.911 -2.784) 5.321 11.929 ( -2.335 -0.907 1.466) 2.902 12.025 ( 0.752 2.156 -0.373) 2.314 12.063 ( -1.766 5.215 -0.876) 5.575 12.111 ( -3.582 -1.443 2.420) 4.558 12.164 ( 1.987 -7.038 0.785) 7.355 12.243 ( 2.602 6.120 0.528) 6.671 12.308 ( -1.728 7.256 0.721) 7.494 12.371 ( 3.647 -3.592 1.865) 5.448 12.458 ( 1.306 -5.043 0.909) 5.288 12.627 ( -6.872 1.597 7.408) 10.230 12.668 ( -4.786 -2.258 6.604) 8.463 12.698 ( -1.129 0.182 1.923) 2.237 12.719 ( 0.044 -1.512 2.388) 2.826 12.754 ( -5.180 3.248 2.152) 6.482 12.815 ( -5.880 -2.633 -1.018) 6.523 12.832 ( -1.573 4.736 -2.743) 5.694 12.894 ( 2.855 -0.902 -3.533) 4.631 13.068 ( -4.113 6.475 2.661) 8.119 13.101 ( -5.167 1.306 2.550) 5.909 13.175 ( -2.199 -2.494 2.739) 4.308 13.206 ( -1.415 -3.217 1.018) 3.659 13.303 ( -2.162 3.661 6.277) 7.581 13.405 ( -3.748 -5.812 3.753) 7.869 13.500 ( 1.955 3.288 -3.137) 4.948 13.546 ( 1.675 -0.555 -2.144) 2.777 13.729 ( -2.619 0.438 1.586) 3.093 13.750 ( -3.164 -0.588 4.308) 5.377 13.824 ( -0.972 -0.689 -1.041) 1.582 13.908 ( 1.678 -8.609 -1.309) 8.868 13.989 ( 1.843 3.827 5.833) 7.216 14.024 ( 4.734 -0.499 4.706) 6.694 14.208 ( 4.645 4.800 -5.084) 8.394 14.274 ( 3.483 -3.131 -3.866) 6.073 14.305 ( 0.225 1.198 6.758) 6.868 14.353 ( -1.025 -3.382 12.098) 12.604 14.503 ( 1.676 11.440 0.246) 11.565 14.762 ( 3.394 -16.971 -6.220) 18.391 15.344 ( -1.896 4.599 -1.958) 5.346 15.397 ( -3.665 3.032 -2.437) 5.344 15.478 ( -1.257 1.215 -5.564) 5.832 15.554 ( -3.374 -3.392 -6.088) 7.743 15.768 ( -3.158 1.196 1.806) 3.829 15.791 ( -2.537 -0.981 0.917) 2.871 15.816 ( -3.433 1.126 -0.571) 3.657 15.836 ( -3.205 -1.050 -0.329) 3.389 16.410 ( 0.575 1.357 0.103) 1.477 16.434 ( 0.331 -0.734 0.052) 0.807 16.470 ( 3.570 1.402 -2.946) 4.836 16.502 ( 4.746 -1.572 -4.243) 6.557 16.947 ( -4.117 2.426 6.077) 7.731 17.012 ( -3.916 -4.405 4.606) 7.480 17.125 ( -4.590 1.253 -3.091) 5.674 17.150 ( -4.738 -1.263 -2.379) 5.450 19.897 ( 5.912 0.553 0.615) 5.969 19.904 ( 5.559 -0.106 0.319) 5.569 19.939 ( 8.909 0.711 -1.610) 9.081 19.963 ( 11.085 -1.734 -3.599) 11.783 20.745 ( -0.714 4.588 4.776) 6.661 20.868 ( -2.598 -4.258 1.760) 5.290 20.907 ( -0.935 -4.504 -0.069) 4.600 20.946 ( -1.782 -3.239 -0.125) 3.699 21.998 ( -0.224 6.262 0.377) 6.278 22.019 ( 1.042 4.890 -0.335) 5.011 22.082 ( -0.680 0.411 -0.443) 0.910 22.147 ( -2.043 -1.088 0.844) 2.464 22.236 ( 1.979 0.473 -3.219) 3.808 22.260 ( 2.019 -0.361 -2.098) 2.934 22.290 ( 2.758 -1.191 -2.566) 3.951 22.306 ( 3.399 -1.784 -2.166) 4.407 22.542 ( 0.769 5.494 1.688) 5.798 22.588 ( 2.006 -0.612 2.331) 3.135 22.612 ( 2.666 4.470 -1.338) 5.373 22.672 ( 2.542 -0.401 -2.322) 3.466 22.713 ( 1.891 1.659 0.102) 2.518 22.782 ( -0.992 12.639 -7.050) 14.506 22.821 ( -2.193 -9.582 2.862) 10.238 23.056 ( -4.769 -13.773 -12.399) 19.135 23.482 ( -2.402 6.295 3.428) 7.559 23.587 ( -1.915 -4.634 3.939) 6.376 23.745 ( -5.832 5.670 -10.583) 13.348 23.834 ( -3.801 -3.824 -8.910) 10.415 24.149 ( -2.716 0.230 3.903) 4.760 24.154 ( -1.356 -0.340 2.817) 3.145 24.220 ( -1.596 0.306 0.880) 1.848 24.224 ( -1.349 -0.062 0.666) 1.506 24.669 ( -0.459 1.137 0.102) 1.230 24.696 ( 0.159 -1.770 0.401) 1.822 24.712 ( 1.130 0.979 -1.775) 2.320 24.738 ( 0.156 -1.398 0.038) 1.407 24.900 ( 0.470 3.410 1.624) 3.806 25.002 ( -1.157 -6.645 5.948) 8.993 25.078 ( -0.850 8.043 -5.108) 9.565 25.194 ( -1.346 -2.656 -0.684) 3.055 25.517 ( -10.974 0.717 3.751) 11.619 25.549 ( -8.999 -1.804 2.353) 9.475 25.621 ( -6.394 0.695 -0.910) 6.495 25.632 ( -6.482 -0.471 -0.874) 6.558 25.947 ( -8.580 3.030 8.628) 12.540 26.037 ( -12.028 -6.168 8.967) 16.221 26.214 ( -7.922 6.197 -5.687) 11.555 26.315 ( -7.845 -4.409 -5.777) 10.694 ======================= Grid point 65 (28/40) ======================= q-point: ( 0.22 0.33 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.597 ( 13.805 -1.898 20.844) 25.073 1.698 ( 12.195 -12.295 21.854) 27.883 2.311 ( 16.871 13.263 10.870) 24.056 2.421 ( 10.063 13.399 6.738) 18.061 2.538 ( 19.413 -6.061 11.931) 23.578 2.791 ( 10.816 -10.912 -17.483) 23.275 2.857 ( 4.795 -1.238 4.541) 6.719 2.919 ( 13.575 2.558 3.553) 14.263 2.976 ( 12.022 8.827 4.017) 15.446 3.185 ( 11.658 0.612 -2.184) 11.876 3.245 ( 11.832 -6.677 -2.402) 13.796 3.305 ( 9.983 -6.223 -3.697) 12.331 3.381 ( 23.428 16.907 7.725) 29.906 3.571 ( 11.980 1.039 -2.239) 12.232 3.605 ( 9.600 -4.752 3.560) 11.288 3.718 ( 17.302 -6.032 1.257) 18.367 3.744 ( 17.197 2.936 -5.266) 18.223 3.816 ( 17.993 3.296 -3.005) 18.537 3.933 ( 16.446 -11.061 -2.007) 19.921 4.004 ( 11.001 -9.363 -4.111) 15.019 4.334 ( 6.104 4.354 -0.837) 7.544 4.351 ( 4.722 7.309 -1.914) 8.910 4.394 ( 8.793 4.111 -1.739) 9.861 4.507 ( 3.288 -0.257 -2.564) 4.177 4.642 ( 2.249 0.748 1.043) 2.590 4.681 ( -2.829 -2.757 -0.460) 3.978 4.686 ( -5.814 0.010 -2.069) 6.171 4.780 ( -12.133 -5.753 -0.981) 13.464 4.860 ( -6.550 -0.424 3.749) 7.559 4.900 ( -6.267 -2.778 6.640) 9.544 4.975 ( -1.613 0.770 2.792) 3.315 5.009 ( 2.286 -2.051 6.366) 7.068 5.074 ( -7.071 2.531 5.497) 9.307 5.132 ( -4.983 -3.974 2.840) 6.978 5.156 ( -3.224 2.562 1.552) 4.401 5.190 ( -7.025 3.713 6.938) 10.548 5.248 ( -6.717 0.761 -2.476) 7.199 5.325 ( -5.577 0.920 8.061) 9.846 5.384 ( 1.943 1.959 5.403) 6.066 5.457 ( -1.820 5.136 -1.336) 5.611 5.485 ( 1.504 -3.992 11.880) 12.623 5.550 ( -0.779 -4.232 -0.964) 4.410 5.632 ( 1.128 8.032 -3.064) 8.670 5.780 ( 2.853 -5.099 -0.280) 5.850 5.804 ( 3.406 2.054 4.089) 5.704 5.882 ( 5.280 -3.635 0.324) 6.418 6.060 ( 1.712 6.159 2.949) 7.040 6.095 ( 1.642 0.085 -8.150) 8.314 6.103 ( -0.521 7.607 0.673) 7.655 6.163 ( 5.412 2.409 -13.114) 14.390 6.236 ( -3.753 -2.544 3.748) 5.882 6.340 ( 5.950 -7.704 -7.695) 12.409 6.454 ( 0.292 1.601 -1.119) 1.975 6.474 ( -3.355 2.821 2.392) 4.994 6.516 ( -1.816 -2.166 0.094) 2.828 6.564 ( -0.393 -6.499 -2.844) 7.105 6.607 ( -4.314 1.088 0.595) 4.489 6.691 ( -1.233 0.638 -3.937) 4.175 6.730 ( -10.311 -5.261 -0.718) 11.598 6.775 ( -4.213 -2.622 -6.457) 8.143 6.849 ( 2.008 3.930 -3.793) 5.819 6.939 ( 1.045 5.483 -1.108) 5.691 6.977 ( 3.033 -7.911 -3.759) 9.269 7.049 ( -0.752 2.395 -4.937) 5.538 7.075 ( -1.591 -3.704 -7.213) 8.263 7.109 ( 1.463 -2.063 -3.761) 4.532 7.134 ( 0.514 6.969 -4.026) 8.065 7.233 ( -2.691 -2.277 -0.599) 3.575 7.287 ( 4.095 7.912 -2.345) 9.213 7.367 ( 0.130 -4.160 1.135) 4.314 7.406 ( -0.931 3.882 -4.262) 5.839 7.463 ( 0.407 0.904 -5.021) 5.118 7.519 ( 2.595 0.486 -2.344) 3.530 7.585 ( 0.024 -0.212 0.525) 0.567 7.602 ( 1.642 -0.585 -5.096) 5.386 7.621 ( 5.837 -2.114 -5.151) 8.067 7.747 ( 1.427 -5.406 -3.211) 6.448 7.768 ( 7.343 -5.301 -1.395) 9.163 7.896 ( 5.606 6.287 1.078) 8.492 7.941 ( 4.512 0.240 -6.172) 7.649 8.119 ( -1.598 13.585 -2.712) 13.945 8.230 ( 3.669 2.968 -0.714) 4.773 8.265 ( -3.456 4.483 -5.503) 7.895 8.309 ( -2.988 -2.677 -4.285) 5.870 8.345 ( 2.212 5.781 0.997) 6.270 8.443 ( 3.553 -3.537 -4.495) 6.734 8.461 ( 0.360 -8.615 0.432) 8.634 8.553 ( 5.152 -13.226 -2.201) 14.364 8.635 ( 1.443 -0.111 2.352) 2.761 8.681 ( 5.239 -3.207 2.333) 6.571 8.851 ( -9.141 3.289 3.066) 10.187 8.895 ( -4.821 -0.526 -1.629) 5.116 8.949 ( 2.854 2.237 -6.818) 7.722 8.989 ( 1.706 -0.183 -2.296) 2.867 9.110 ( -3.051 0.511 -4.984) 5.866 9.151 ( -3.270 -6.248 -2.143) 7.370 9.307 ( 2.419 2.992 2.737) 4.721 9.340 ( 5.686 0.229 6.040) 8.298 9.480 ( 5.965 4.013 2.817) 7.721 9.517 ( 1.768 0.872 3.576) 4.083 9.533 ( 0.302 1.121 5.152) 5.281 9.583 ( 3.210 -1.072 -1.408) 3.666 9.678 ( -4.235 1.451 5.465) 7.064 9.708 ( -3.097 -1.866 1.022) 3.757 9.738 ( -3.487 3.636 1.414) 5.233 9.801 ( -4.096 -1.146 0.119) 4.255 9.807 ( -0.728 4.740 2.273) 5.307 9.854 ( -3.211 4.355 -1.010) 5.504 9.877 ( 3.536 -4.051 -3.114) 6.214 9.993 ( 0.031 -6.987 6.206) 9.345 10.105 ( -2.496 1.600 0.952) 3.114 10.156 ( -2.405 -3.486 5.378) 6.845 10.289 ( 0.888 4.050 8.024) 9.032 10.329 ( -0.678 -0.139 8.422) 8.450 10.449 ( 4.218 0.859 -0.306) 4.315 10.494 ( 5.759 -3.471 -2.570) 7.198 10.583 ( 9.947 2.906 -2.198) 10.593 10.614 ( 9.135 -1.015 -0.404) 9.200 10.655 ( 7.531 1.401 4.556) 8.913 10.678 ( 1.933 -0.477 -2.082) 2.881 10.727 ( 6.092 -1.150 -0.111) 6.200 10.748 ( 6.054 -2.365 -3.957) 7.609 10.873 ( 6.237 3.020 -3.170) 7.620 10.906 ( 8.783 0.272 -1.727) 8.955 11.017 ( 3.639 -0.200 0.044) 3.645 11.031 ( 0.236 0.990 0.400) 1.094 11.114 ( 1.782 -1.448 -0.825) 2.440 11.129 ( 2.947 -0.436 -1.942) 3.556 11.215 ( -1.172 3.543 -0.262) 3.741 11.268 ( 0.107 2.141 -1.454) 2.590 11.297 ( 0.076 -4.338 -2.214) 4.871 11.311 ( -0.989 -1.653 -1.027) 2.183 11.482 ( -2.286 2.363 -1.147) 3.482 11.513 ( -0.744 2.116 -2.406) 3.289 11.523 ( -4.550 -1.546 0.788) 4.870 11.585 ( -3.353 -3.735 -1.830) 5.342 11.674 ( -10.796 -0.932 0.889) 10.873 11.684 ( -8.785 -0.196 0.717) 8.816 11.758 ( -7.210 -0.122 -0.830) 7.259 11.770 ( -11.450 -0.760 -0.619) 11.491 11.956 ( -3.972 0.505 5.719) 6.981 11.992 ( -2.589 -0.682 5.956) 6.530 12.085 ( -4.790 0.108 1.229) 4.946 12.138 ( -0.772 -1.471 0.971) 1.925 12.182 ( -7.674 6.589 4.183) 10.945 12.244 ( -2.090 3.351 1.320) 4.164 12.294 ( -13.835 -3.162 4.085) 14.768 12.369 ( -2.580 -7.506 2.638) 8.364 12.477 ( -6.799 3.258 7.655) 10.744 12.539 ( -5.453 -2.624 8.643) 10.551 12.630 ( -5.326 2.751 1.330) 6.140 12.678 ( -5.979 -1.749 0.241) 6.234 12.757 ( -1.224 4.500 1.344) 4.853 12.801 ( 4.290 1.783 3.397) 5.755 12.861 ( 2.885 1.599 4.318) 5.434 12.932 ( -0.831 -4.716 -0.069) 4.789 12.980 ( -2.689 1.926 -0.487) 3.344 13.013 ( -3.007 -1.155 2.823) 4.283 13.161 ( 4.772 4.893 -2.726) 7.359 13.243 ( 1.038 -2.807 1.635) 3.410 13.248 ( -1.620 1.347 6.823) 7.141 13.311 ( -2.203 -5.861 2.114) 6.608 13.521 ( -0.154 2.714 -5.392) 6.038 13.561 ( -0.245 -0.468 -4.025) 4.060 13.706 ( 0.135 1.781 2.187) 2.824 13.736 ( -0.052 0.320 2.065) 2.090 13.791 ( -2.431 0.099 0.191) 2.441 13.852 ( -4.477 -3.500 -1.363) 5.844 14.072 ( 5.574 1.668 4.295) 7.232 14.115 ( 4.596 -1.762 4.962) 6.989 14.292 ( 4.437 3.063 -1.918) 5.723 14.353 ( 4.357 -3.431 3.228) 6.416 14.375 ( 4.200 1.492 1.229) 4.623 14.410 ( 5.593 -0.595 -3.114) 6.429 14.556 ( 3.071 10.812 -4.304) 12.036 14.800 ( 0.606 -14.640 -10.528) 18.042 15.302 ( -1.830 4.201 -0.428) 4.602 15.333 ( -2.194 3.746 -0.738) 4.403 15.437 ( -2.542 -2.340 -3.341) 4.806 15.473 ( -3.930 -3.577 -3.606) 6.422 15.677 ( -5.486 1.795 1.966) 6.098 15.700 ( -5.808 -0.740 1.181) 5.973 15.719 ( -5.571 1.308 -0.416) 5.738 15.743 ( -5.482 -1.201 -0.582) 5.642 16.413 ( -0.333 1.184 0.805) 1.470 16.434 ( -0.360 -0.658 0.997) 1.248 16.525 ( 1.258 2.059 -4.550) 5.150 16.562 ( 0.676 -1.603 -5.160) 5.445 16.828 ( -7.041 2.661 4.756) 8.904 16.893 ( -7.351 -3.951 2.259) 8.646 16.992 ( -7.853 1.008 -3.288) 8.573 17.013 ( -8.143 -1.021 -2.672) 8.631 20.054 ( 8.696 0.202 1.635) 8.850 20.056 ( 8.673 0.126 1.654) 8.831 20.155 ( 10.812 2.079 -3.961) 11.701 20.202 ( 10.829 -2.676 -6.463) 12.892 20.720 ( -1.767 3.351 4.399) 5.806 20.801 ( -3.770 -3.996 2.980) 6.250 20.873 ( -2.452 -1.497 -1.786) 3.382 20.892 ( -3.400 -1.945 -0.891) 4.017 21.980 ( -1.399 9.157 1.047) 9.322 22.014 ( -1.708 3.077 -0.696) 3.587 22.044 ( -2.629 -1.489 1.705) 3.469 22.118 ( -1.631 -3.394 -0.770) 3.843 22.235 ( -1.327 1.661 -1.099) 2.393 22.261 ( -2.280 0.114 -1.158) 2.560 22.338 ( 0.103 -0.725 -3.278) 3.358 22.368 ( 0.854 -2.655 -3.521) 4.492 22.581 ( 4.224 5.136 1.362) 6.787 22.668 ( 3.664 -1.698 2.324) 4.659 22.708 ( 6.729 -0.021 0.390) 6.740 22.729 ( 1.840 -2.845 -1.517) 3.712 22.771 ( 2.286 1.084 -0.477) 2.574 22.777 ( 4.293 0.974 -0.528) 4.433 22.831 ( 3.990 2.009 -3.374) 5.598 22.964 ( -2.196 -8.927 -10.008) 13.590 23.425 ( -2.720 6.039 1.329) 6.756 23.531 ( -3.401 -4.430 1.439) 5.768 23.606 ( -6.723 6.950 -7.723) 12.375 23.720 ( -6.628 -5.052 -7.872) 11.464 24.064 ( -5.536 1.800 4.626) 7.436 24.101 ( -4.304 -2.073 3.067) 5.677 24.158 ( -4.556 0.728 0.663) 4.661 24.166 ( -4.601 -0.208 -0.077) 4.606 24.655 ( -0.859 1.516 1.287) 2.166 24.689 ( -0.871 -2.065 1.549) 2.724 24.727 ( -0.216 0.564 -1.591) 1.702 24.740 ( -0.262 -0.637 0.167) 0.708 24.912 ( 0.621 2.067 2.026) 2.960 24.971 ( -1.772 -2.713 5.005) 5.962 25.057 ( -0.939 4.846 -3.652) 6.140 25.159 ( -2.002 -2.682 -0.480) 3.381 25.262 ( -10.849 2.593 5.712) 12.532 25.337 ( -9.274 -4.382 0.650) 10.278 25.457 ( -8.265 0.756 -3.256) 8.916 25.467 ( -8.305 -0.395 -2.725) 8.750 25.756 ( -9.487 0.714 8.959) 13.069 25.790 ( -11.263 -2.899 9.698) 15.143 25.999 ( -11.936 6.595 -4.405) 14.330 26.100 ( -12.180 -4.276 -5.925) 14.204 ======================= Grid point 66 (29/40) ======================= q-point: ( 0.33 0.33 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.964 ( 20.914 -0.468 10.925) 23.600 2.048 ( 20.312 -8.014 18.034) 28.320 2.541 ( 10.982 19.742 -11.478) 25.340 2.743 ( 15.657 0.895 10.331) 18.780 2.924 ( 17.074 2.671 8.464) 19.243 2.942 ( 3.401 0.083 4.890) 5.957 3.042 ( 12.855 -7.113 4.884) 15.482 3.141 ( 5.621 -11.980 -1.815) 13.357 3.255 ( 11.391 4.573 -8.278) 14.805 3.339 ( -0.019 -6.291 -5.990) 8.686 3.369 ( 6.618 3.804 -6.604) 10.093 3.488 ( 4.977 -8.355 -7.525) 12.296 3.680 ( 1.997 6.522 1.926) 7.087 3.739 ( 1.504 1.627 0.159) 2.221 3.830 ( 0.997 4.685 -4.243) 6.399 3.836 ( -1.967 3.653 -3.993) 5.758 3.982 ( 5.300 -0.341 0.155) 5.313 4.053 ( 3.741 -0.356 0.159) 3.762 4.118 ( 3.990 -7.391 -1.049) 8.465 4.149 ( 8.365 -6.230 -1.300) 10.511 4.361 ( -10.077 3.493 6.709) 12.600 4.395 ( -11.363 2.152 4.597) 12.445 4.467 ( 5.199 2.972 1.312) 6.130 4.529 ( 5.370 -4.919 1.890) 7.524 4.561 ( 5.160 2.965 -3.144) 6.730 4.633 ( -1.254 -0.856 -0.046) 1.519 4.728 ( 1.163 6.436 -2.545) 7.018 4.813 ( 1.013 -0.342 -0.409) 1.145 4.849 ( 0.940 -0.773 3.235) 3.456 4.883 ( 1.090 3.157 6.309) 7.139 4.959 ( 3.425 -6.995 3.561) 8.564 5.009 ( -2.940 -1.498 4.216) 5.353 5.016 ( 5.826 -0.952 -2.239) 6.314 5.069 ( 4.229 6.461 3.342) 8.414 5.136 ( 4.137 -6.621 -3.626) 8.608 5.176 ( 0.463 1.479 8.513) 8.653 5.194 ( 10.099 -3.425 -2.656) 10.989 5.215 ( 4.651 -1.721 0.851) 5.031 5.350 ( -3.467 6.482 -3.276) 8.047 5.440 ( -5.102 -2.914 -2.234) 6.286 5.543 ( 4.664 5.412 10.028) 12.313 5.632 ( 9.558 -3.357 6.874) 12.242 5.741 ( 6.156 7.277 2.917) 9.968 5.796 ( -0.789 7.237 3.330) 8.005 5.858 ( -1.352 -4.996 7.154) 8.830 5.990 ( -0.453 -5.513 2.606) 6.114 6.029 ( 0.158 0.457 -0.956) 1.072 6.053 ( -1.677 -1.666 3.074) 3.878 6.094 ( -0.466 -0.043 2.791) 2.830 6.157 ( -0.081 -3.611 -0.379) 3.632 6.235 ( 1.808 7.579 -5.311) 9.430 6.365 ( -3.956 -4.950 1.667) 6.553 6.400 ( -0.661 7.637 2.015) 7.926 6.468 ( -3.417 1.336 0.338) 3.685 6.492 ( -3.659 -1.769 5.231) 6.624 6.541 ( 1.415 -3.503 -1.812) 4.190 6.569 ( -2.900 -1.948 -1.670) 3.873 6.606 ( -0.472 -1.731 -0.084) 1.796 6.698 ( 0.719 0.246 -9.300) 9.331 6.788 ( 6.588 -4.043 -10.555) 13.083 6.886 ( -2.465 4.595 -1.057) 5.321 6.962 ( -5.904 -3.002 -6.344) 9.172 6.995 ( 8.061 4.287 -6.700) 11.325 7.059 ( 1.224 1.914 -0.261) 2.286 7.108 ( 1.203 -4.894 -9.644) 10.881 7.122 ( 2.656 -2.710 1.112) 3.954 7.189 ( -0.080 4.105 -3.530) 5.415 7.267 ( 4.493 0.692 -3.861) 5.964 7.326 ( -0.746 -3.423 -2.318) 4.201 7.375 ( 3.514 7.070 -0.586) 7.917 7.397 ( 1.106 -5.365 -3.080) 6.285 7.484 ( 1.803 0.743 -7.840) 8.079 7.530 ( -2.899 -0.870 -4.510) 5.431 7.564 ( -2.497 -2.941 -1.261) 4.059 7.617 ( 1.807 -1.022 -1.338) 2.470 7.713 ( 0.495 -6.389 -4.798) 8.006 7.760 ( 0.059 2.527 0.448) 2.567 7.812 ( -2.559 -2.139 2.882) 4.408 8.063 ( 3.557 13.978 1.405) 14.492 8.104 ( 6.894 4.635 -6.092) 10.302 8.145 ( 2.573 8.788 -6.515) 11.238 8.193 ( -0.809 0.881 -1.328) 1.787 8.213 ( -1.231 -1.599 -1.135) 2.315 8.350 ( -0.457 8.627 -2.158) 8.904 8.367 ( 7.082 -6.399 -0.622) 9.565 8.397 ( -7.402 -5.810 1.021) 9.465 8.504 ( 5.414 -7.306 -0.484) 9.106 8.607 ( -2.011 -6.543 0.539) 6.866 8.748 ( 6.916 -1.222 2.851) 7.580 8.822 ( 16.249 7.847 -0.975) 18.071 8.836 ( 5.346 -7.211 3.852) 9.768 8.929 ( 13.818 -4.357 -3.282) 14.856 9.031 ( 4.062 4.401 -4.907) 7.743 9.057 ( 4.521 5.080 -2.821) 7.362 9.146 ( 4.607 -6.500 -2.261) 8.281 9.165 ( 6.836 -6.721 -6.181) 11.407 9.335 ( 0.639 4.848 0.938) 4.979 9.393 ( 0.539 0.366 1.397) 1.541 9.432 ( -7.005 2.844 5.776) 9.514 9.485 ( -7.007 -0.414 3.568) 7.874 9.499 ( -4.337 -0.062 1.789) 4.692 9.520 ( -4.565 -2.741 1.629) 5.568 9.616 ( -4.136 2.853 2.024) 5.416 9.633 ( -4.520 2.284 0.520) 5.090 9.715 ( -0.354 4.853 3.210) 5.830 9.722 ( 0.607 4.665 0.396) 4.721 9.777 ( 5.016 -2.109 -0.824) 5.503 9.893 ( -4.131 -8.643 0.152) 9.581 9.997 ( 6.388 1.142 -0.203) 6.493 10.035 ( -0.520 3.037 -0.265) 3.093 10.067 ( 2.134 -3.666 0.352) 4.256 10.129 ( 2.346 -4.091 5.142) 6.977 10.304 ( 0.124 6.424 5.492) 8.453 10.352 ( 1.880 0.140 5.146) 5.481 10.470 ( -2.149 4.933 -1.599) 5.613 10.564 ( 1.051 -4.108 -4.691) 6.324 10.741 ( 2.140 1.515 0.349) 2.645 10.755 ( 2.070 -0.579 0.550) 2.219 10.780 ( 4.742 1.355 0.334) 4.944 10.794 ( 7.592 -1.551 -1.785) 7.952 10.837 ( 1.946 0.600 0.434) 2.082 10.905 ( 4.686 -3.680 -3.002) 6.672 10.925 ( -12.651 2.625 1.587) 13.017 10.986 ( -1.718 -1.514 -2.452) 3.355 11.014 ( -3.106 -2.263 -4.909) 6.234 11.055 ( 0.913 -2.786 -2.134) 3.626 11.108 ( -5.261 6.474 -1.034) 8.406 11.191 ( 1.946 3.123 0.174) 3.684 11.209 ( -0.353 0.066 -1.679) 1.717 11.253 ( 2.097 -0.767 1.137) 2.505 11.271 ( -1.043 0.204 1.431) 1.782 11.296 ( -4.323 -2.338 1.899) 5.269 11.313 ( -8.850 -0.422 1.174) 8.938 11.364 ( 0.322 -3.333 1.068) 3.515 11.458 ( -1.306 0.093 -2.324) 2.667 11.468 ( -6.410 2.503 0.144) 6.883 11.503 ( -3.481 -1.725 0.546) 3.923 11.521 ( -3.794 -3.235 -4.116) 6.465 11.570 ( -4.099 1.913 -1.766) 4.856 11.603 ( -6.294 -0.615 -3.303) 7.134 11.882 ( -4.005 1.328 7.703) 8.783 11.926 ( -4.970 -0.940 4.671) 6.885 12.007 ( -2.864 -0.314 1.435) 3.219 12.047 ( -4.055 -2.264 2.880) 5.465 12.069 ( -2.569 3.923 8.491) 9.700 12.136 ( -3.981 -3.499 7.126) 8.881 12.200 ( -2.482 3.844 4.485) 6.407 12.306 ( -3.029 -5.396 6.068) 8.667 12.376 ( -1.404 5.991 2.770) 6.748 12.465 ( -2.412 -0.228 3.658) 4.388 12.517 ( -4.998 1.336 -3.239) 6.103 12.553 ( -5.339 -1.433 1.851) 5.830 12.695 ( -4.228 4.873 6.877) 9.430 12.773 ( -6.101 -1.644 8.127) 10.294 12.808 ( -2.639 1.288 8.788) 9.266 12.920 ( -3.408 3.283 -1.870) 5.088 12.926 ( -0.852 -6.131 4.897) 7.893 13.006 ( -0.242 -4.961 -3.778) 6.241 13.176 ( -1.642 4.137 -1.554) 4.714 13.225 ( -6.843 -0.457 -2.835) 7.421 13.342 ( 8.810 -0.595 0.549) 8.847 13.354 ( 5.837 -1.534 5.411) 8.106 13.511 ( -0.502 2.340 -4.565) 5.155 13.565 ( 1.318 -2.741 -4.295) 5.263 13.690 ( -0.787 1.740 2.736) 3.337 13.723 ( -1.605 -2.092 1.524) 3.045 13.754 ( -0.262 2.846 0.036) 2.858 13.792 ( -1.894 -0.621 -1.727) 2.637 14.197 ( 6.229 1.763 5.424) 8.445 14.236 ( 6.511 -2.241 2.089) 7.195 14.382 ( 2.955 0.328 3.181) 4.354 14.412 ( 1.922 -2.938 3.484) 4.946 14.480 ( 5.128 4.848 -5.891) 9.193 14.533 ( 5.913 -0.251 -7.679) 9.695 14.615 ( 2.303 7.236 -6.777) 10.178 14.795 ( -1.059 -10.540 -11.720) 15.798 15.278 ( -0.220 3.536 0.903) 3.656 15.314 ( 0.315 1.932 0.182) 1.966 15.382 ( -2.350 -2.227 -1.330) 3.500 15.407 ( -2.317 -3.081 -1.442) 4.116 15.554 ( -5.802 1.521 1.977) 6.315 15.570 ( -6.209 -0.402 1.737) 6.460 15.599 ( -5.742 1.195 -0.481) 5.884 15.621 ( -5.964 -1.034 -0.924) 6.124 16.403 ( -0.317 1.364 1.603) 2.128 16.426 ( -0.184 -0.850 1.703) 1.912 16.529 ( -0.434 0.877 -3.267) 3.411 16.545 ( -1.821 -0.663 -2.052) 2.822 16.673 ( -7.232 2.401 2.795) 8.117 16.727 ( -7.820 -2.997 -0.263) 8.379 16.819 ( -8.317 0.614 -3.498) 9.044 16.831 ( -8.868 -0.569 -3.105) 9.413 20.241 ( 9.040 0.197 1.909) 9.241 20.243 ( 8.958 0.093 2.524) 9.307 20.361 ( 8.781 1.654 -4.180) 9.864 20.395 ( 7.810 -1.824 -5.326) 9.627 20.668 ( -3.269 2.077 3.614) 5.297 20.713 ( -4.661 -2.268 2.399) 5.712 20.804 ( -4.187 -0.906 -2.387) 4.904 20.806 ( -4.900 -0.685 -1.701) 5.232 21.946 ( -1.585 7.311 1.138) 7.567 21.977 ( -1.459 1.542 -0.287) 2.142 21.988 ( -2.575 -0.221 1.597) 3.038 22.060 ( -3.418 -3.525 -1.820) 5.237 22.188 ( -2.907 1.085 -0.204) 3.110 22.200 ( -2.687 1.009 0.188) 2.876 22.284 ( -4.322 -1.654 -2.118) 5.089 22.315 ( -5.090 -3.332 -2.605) 6.618 22.702 ( 6.308 1.728 0.157) 6.543 22.750 ( 4.648 -2.647 1.518) 5.561 22.765 ( 3.116 1.945 -3.034) 4.764 22.829 ( 3.616 -3.939 -2.016) 5.715 22.878 ( 6.067 0.375 2.231) 6.475 22.889 ( 6.065 -0.879 1.349) 6.275 22.960 ( 6.976 2.443 -1.998) 7.657 23.000 ( 3.934 -1.936 -4.269) 6.120 23.396 ( 0.885 4.866 -0.748) 5.002 23.460 ( -2.173 1.993 -2.062) 3.598 23.512 ( -1.401 0.092 -3.905) 4.150 23.591 ( -4.792 -4.641 -5.976) 8.957 23.914 ( -8.845 2.366 4.062) 10.016 23.960 ( -9.070 -2.416 3.101) 9.885 24.018 ( -9.477 0.522 -1.111) 9.556 24.025 ( -8.738 -0.196 -0.806) 8.777 24.638 ( -0.607 1.166 1.853) 2.272 24.665 ( -1.262 -1.563 2.166) 2.954 24.694 ( -2.540 0.873 -0.162) 2.691 24.709 ( -2.699 -0.626 0.994) 2.943 24.925 ( 0.887 0.662 2.345) 2.593 24.942 ( -0.583 -0.618 4.030) 4.118 25.034 ( -1.658 3.103 -2.317) 4.212 25.098 ( -3.181 -2.857 -1.420) 4.506 25.163 ( 0.822 2.268 3.468) 4.225 25.219 ( -2.278 -4.189 0.266) 4.776 25.338 ( -2.691 0.408 -3.639) 4.544 25.339 ( -2.007 0.568 -4.353) 4.827 25.558 ( -9.454 0.047 6.851) 11.675 25.571 ( -9.912 -1.124 8.356) 13.012 25.748 ( -11.864 5.575 -3.057) 13.460 25.836 ( -12.747 -3.847 -4.945) 14.203 ======================= Grid point 67 (30/40) ======================= q-point: ( 0.44 0.33 0.33) 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 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 82 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.429 ( 23.023 0.120 6.415) 23.901 2.501 ( 22.519 -6.218 12.649) 26.567 2.793 ( 9.778 10.770 -6.079) 15.765 2.853 ( -13.967 0.366 6.048) 15.224 2.956 ( -7.912 -1.293 1.722) 8.199 3.068 ( 3.817 -3.502 -3.336) 6.161 3.115 ( -5.850 3.971 -3.099) 7.720 3.215 ( 2.985 -5.333 -2.119) 6.469 3.368 ( 7.662 4.645 -0.652) 8.984 3.431 ( 4.059 -1.311 -3.638) 5.606 3.493 ( 1.327 1.369 0.493) 1.969 3.539 ( 1.955 -5.019 0.879) 5.457 3.671 ( -0.123 7.672 -6.127) 9.820 3.705 ( 2.655 3.805 -7.114) 8.494 3.796 ( 2.873 -1.841 -6.981) 7.770 3.835 ( 1.599 -6.318 -5.409) 8.469 3.932 ( -5.472 4.228 2.875) 7.489 4.037 ( -4.063 -0.088 5.477) 6.820 4.075 ( -9.958 -2.290 1.678) 10.355 4.131 ( -9.755 -2.124 2.761) 10.359 4.252 ( 4.850 3.313 -4.418) 7.349 4.311 ( -0.600 -3.386 -0.498) 3.474 4.431 ( -2.940 -4.875 -5.990) 8.264 4.492 ( -6.222 -8.174 -3.203) 10.760 4.642 ( 1.482 3.782 2.565) 4.804 4.678 ( 4.967 2.308 2.604) 6.065 4.758 ( -4.550 -1.784 4.291) 6.504 4.779 ( -3.197 -4.964 3.666) 6.950 4.893 ( 5.846 1.039 5.681) 8.218 4.896 ( 6.784 0.795 1.963) 7.107 5.033 ( -2.963 -0.484 2.716) 4.048 5.063 ( -1.728 -0.424 4.323) 4.675 5.096 ( 6.223 7.127 3.231) 9.998 5.166 ( 7.118 -0.945 2.643) 7.651 5.224 ( -3.001 6.945 -1.588) 7.730 5.237 ( -2.221 4.995 2.914) 6.195 5.334 ( 15.366 1.085 4.476) 16.041 5.385 ( 11.833 -1.495 5.818) 13.271 5.540 ( 3.286 -2.518 1.395) 4.369 5.544 ( 9.792 -4.200 -3.452) 11.200 5.617 ( -0.892 5.097 4.522) 6.872 5.688 ( -0.864 4.305 2.155) 4.891 5.752 ( -3.765 -5.108 6.246) 8.904 5.807 ( 2.806 -4.834 0.850) 5.654 5.835 ( 0.264 2.067 -0.321) 2.108 5.893 ( 4.569 -1.875 1.339) 5.118 6.009 ( -5.904 3.489 -4.773) 8.355 6.073 ( -7.393 0.688 -4.233) 8.547 6.135 ( 4.277 2.906 0.913) 5.251 6.189 ( 1.767 -1.323 3.105) 3.810 6.259 ( 2.653 1.466 -1.264) 3.284 6.313 ( -6.051 -0.439 0.655) 6.102 6.380 ( 7.282 -1.518 4.977) 8.950 6.431 ( -0.146 -4.509 2.907) 5.367 6.450 ( 0.116 -0.234 1.107) 1.138 6.520 ( -1.436 -4.648 3.258) 5.855 6.565 ( 3.702 3.432 2.020) 5.437 6.648 ( 3.293 -0.755 0.200) 3.384 6.749 ( -10.074 2.734 -3.558) 11.028 6.781 ( -5.441 0.014 -3.913) 6.702 6.832 ( 3.224 3.342 -6.666) 8.123 6.917 ( -0.059 5.543 -1.028) 5.637 6.931 ( -0.288 -5.082 -8.100) 9.567 7.006 ( -6.748 -1.781 -4.559) 8.336 7.190 ( 3.293 3.298 -0.951) 4.757 7.212 ( 3.224 5.204 -4.252) 7.454 7.222 ( 3.277 -0.616 0.175) 3.339 7.294 ( -3.377 1.989 -3.455) 5.225 7.378 ( 0.109 -4.669 -1.471) 4.897 7.394 ( 5.784 -3.219 -4.659) 8.095 7.464 ( -2.809 2.049 -4.400) 5.608 7.488 ( 2.971 -0.068 0.633) 3.039 7.533 ( 3.745 -5.979 1.938) 7.316 7.559 ( -0.103 -2.277 -6.321) 6.719 7.587 ( -1.494 0.363 2.664) 3.076 7.678 ( -4.174 -4.729 -1.710) 6.535 7.763 ( 4.024 -5.283 -2.863) 7.232 7.787 ( 1.917 -3.600 -6.231) 7.447 7.921 ( -11.881 0.878 -7.045) 13.841 7.974 ( -10.898 -4.461 -5.266) 12.899 8.184 ( 2.110 7.488 -0.306) 7.786 8.208 ( -0.286 10.766 0.294) 10.773 8.291 ( 3.437 2.081 0.922) 4.122 8.309 ( -0.767 7.442 -1.101) 7.562 8.390 ( 4.838 10.812 -0.074) 11.845 8.478 ( -2.818 -2.099 1.751) 3.926 8.648 ( 5.852 -12.718 -6.113) 15.276 8.669 ( 4.989 -11.629 -2.721) 12.944 8.963 ( 10.735 1.271 3.413) 11.336 9.003 ( 8.497 1.099 2.598) 8.953 9.103 ( 3.258 0.569 2.433) 4.106 9.147 ( 8.433 3.254 0.097) 9.040 9.167 ( 4.345 3.474 0.707) 5.608 9.212 ( -2.776 0.116 1.153) 3.008 9.237 ( -0.349 -1.536 2.002) 2.548 9.282 ( -0.884 1.890 5.356) 5.748 9.311 ( 7.065 -0.834 -2.828) 7.655 9.325 ( 5.471 -0.836 -1.868) 5.842 9.371 ( -0.058 5.381 0.692) 5.426 9.446 ( -1.785 3.439 -1.449) 4.137 9.459 ( -0.659 1.118 -0.847) 1.550 9.490 ( 4.102 -5.535 -0.789) 6.935 9.533 ( 2.833 -2.613 -2.544) 4.618 9.657 ( -1.132 -7.421 -3.825) 8.425 9.741 ( 7.264 2.064 5.386) 9.276 9.770 ( 2.378 1.504 1.563) 3.218 9.826 ( 6.794 -1.954 -0.129) 7.070 9.888 ( 4.566 -4.045 0.030) 6.100 10.001 ( -0.622 2.307 0.372) 2.418 10.054 ( -1.831 -0.967 2.264) 3.068 10.120 ( -3.754 -1.432 -3.302) 5.201 10.155 ( -3.921 -2.857 -1.078) 4.970 10.244 ( -3.551 6.027 5.113) 8.665 10.315 ( -6.450 -1.169 4.309) 7.844 10.359 ( -13.545 4.572 2.978) 14.603 10.415 ( -10.632 1.224 0.682) 10.724 10.494 ( -6.627 3.766 -0.541) 7.642 10.595 ( -6.998 -0.815 -5.173) 8.741 10.669 ( -12.572 -0.094 -5.441) 13.699 10.696 ( -11.185 -0.624 -5.584) 12.517 10.871 ( 3.188 4.302 0.839) 5.420 10.900 ( 1.844 2.843 1.353) 3.649 10.959 ( 5.614 -3.931 -0.739) 6.893 10.966 ( 3.601 -1.367 -1.155) 4.021 11.019 ( 0.374 -0.848 -1.400) 1.679 11.047 ( 1.400 -0.658 -3.607) 3.924 11.083 ( -1.329 -3.811 -3.523) 5.357 11.115 ( -0.751 -3.566 -4.144) 5.518 11.227 ( 0.216 -1.645 3.416) 3.797 11.253 ( 3.156 -2.426 3.525) 5.317 11.297 ( -2.913 4.214 0.251) 5.129 11.330 ( 5.010 4.037 0.652) 6.467 11.358 ( -1.210 1.404 -1.748) 2.547 11.379 ( -0.489 1.327 -1.481) 2.048 11.408 ( 0.800 0.149 1.402) 1.621 11.448 ( 1.603 -1.938 3.247) 4.108 11.475 ( -0.592 0.762 -0.977) 1.373 11.524 ( 4.494 -4.328 2.034) 6.562 11.562 ( -1.030 1.397 1.500) 2.294 11.597 ( 1.169 -2.521 0.991) 2.951 11.789 ( 0.976 2.231 0.605) 2.509 11.842 ( -0.431 -2.766 1.470) 3.162 11.922 ( -6.491 0.458 -1.578) 6.696 11.961 ( -7.717 -2.817 -3.913) 9.099 12.055 ( 0.898 4.637 13.111) 13.936 12.085 ( 0.160 5.301 9.790) 11.134 12.173 ( 1.562 -3.207 10.018) 10.634 12.247 ( -3.842 -7.522 8.566) 12.029 12.384 ( 1.347 5.725 -0.335) 5.890 12.426 ( -1.946 3.516 -2.862) 4.934 12.445 ( 0.078 1.732 1.395) 2.226 12.481 ( -2.899 -1.324 0.674) 3.258 12.643 ( -0.153 5.157 9.859) 11.128 12.670 ( -3.082 -0.775 8.526) 9.099 12.752 ( -0.997 -3.686 8.432) 9.256 12.814 ( -5.439 -7.604 4.301) 10.291 12.952 ( 3.167 4.913 -3.327) 6.726 13.027 ( 2.065 -1.709 -3.178) 4.157 13.066 ( -6.177 2.242 -4.355) 7.884 13.113 ( -4.338 -1.659 -2.773) 5.409 13.457 ( 3.688 0.777 4.060) 5.540 13.483 ( 3.326 -0.777 0.700) 3.487 13.516 ( 1.275 -0.339 0.236) 1.340 13.569 ( -1.695 -4.706 -1.101) 5.122 13.699 ( 1.413 2.368 0.330) 2.777 13.716 ( 1.136 0.782 -0.330) 1.418 13.739 ( -1.441 1.701 -0.997) 2.442 13.754 ( -1.751 0.533 -1.661) 2.472 14.315 ( 4.650 2.216 5.749) 7.719 14.350 ( 3.241 -0.562 3.168) 4.567 14.400 ( -0.088 -1.887 4.375) 4.766 14.428 ( -0.805 -3.758 1.920) 4.296 14.576 ( 3.764 6.011 -7.954) 10.657 14.619 ( 0.294 6.322 -7.347) 9.697 14.665 ( 4.282 -2.793 -10.280) 11.481 14.751 ( -3.291 -6.447 -11.434) 13.533 15.300 ( 2.252 2.102 1.732) 3.534 15.337 ( 1.265 -1.152 0.960) 1.962 15.353 ( -0.874 0.232 0.286) 0.948 15.368 ( -1.577 -2.142 0.255) 2.672 15.465 ( -2.307 1.018 1.212) 2.798 15.470 ( -2.243 0.765 0.792) 2.499 15.496 ( -3.577 0.404 -0.361) 3.618 15.512 ( -4.077 -0.862 -0.762) 4.237 16.417 ( 2.023 1.237 2.681) 3.579 16.439 ( 1.725 -1.010 2.394) 3.119 16.486 ( -3.838 0.671 2.841) 4.822 16.500 ( -3.460 -0.774 2.241) 4.195 16.586 ( 0.667 1.824 -3.133) 3.686 16.621 ( -1.144 -1.808 -4.005) 4.540 16.668 ( -6.362 0.227 -3.591) 7.309 16.672 ( -5.319 -0.240 -3.906) 6.604 20.414 ( 7.286 0.288 2.490) 7.705 20.417 ( 7.563 0.006 1.930) 7.806 20.500 ( 2.428 0.564 -1.050) 2.705 20.512 ( 1.350 -0.574 -0.993) 1.771 20.603 ( -0.676 1.303 0.659) 1.609 20.630 ( -1.140 -1.413 -0.780) 1.976 20.692 ( -5.892 0.254 -2.328) 6.341 20.703 ( -5.258 -0.971 -2.845) 6.057 21.926 ( -0.145 4.672 1.277) 4.846 21.942 ( -1.632 2.052 1.391) 2.967 21.964 ( 0.420 -0.089 -0.485) 0.648 21.996 ( -2.492 -1.937 -1.102) 3.343 22.155 ( 0.211 0.216 -0.251) 0.393 22.167 ( -0.051 -0.897 -0.600) 1.081 22.196 ( -3.457 -1.739 -1.177) 4.044 22.210 ( -4.122 -2.181 -1.446) 4.882 22.817 ( 4.597 0.337 0.309) 4.619 22.834 ( 3.290 -1.181 1.122) 3.671 22.846 ( 2.836 1.369 -0.639) 3.214 22.884 ( -0.309 -2.858 -0.745) 2.970 22.969 ( 4.101 0.553 -0.017) 4.138 22.976 ( 2.944 -0.023 0.441) 2.977 23.030 ( -1.825 1.785 -2.351) 3.471 23.044 ( -0.453 0.020 -2.063) 2.112 23.489 ( 7.618 2.849 -0.415) 8.144 23.520 ( 7.964 1.084 -1.229) 8.131 23.556 ( 5.052 -0.927 -2.061) 5.535 23.581 ( 4.024 -2.449 -2.874) 5.518 23.719 ( -8.407 1.882 1.114) 8.687 23.755 ( -9.590 -1.842 0.875) 9.805 23.787 ( -11.558 1.078 -1.877) 11.759 23.809 ( -11.149 -1.181 -2.083) 11.403 24.634 ( 0.309 0.483 2.183) 2.257 24.644 ( -0.477 -0.532 2.241) 2.352 24.651 ( -1.221 0.235 1.401) 1.873 24.656 ( -1.888 -0.163 1.946) 2.716 24.950 ( 1.289 0.420 0.788) 1.568 24.960 ( 2.435 -0.683 -0.262) 2.543 24.990 ( -2.301 1.750 -1.372) 3.199 25.027 ( -3.719 -2.058 -2.321) 4.843 25.234 ( 5.471 0.089 4.090) 6.832 25.241 ( 4.163 -0.821 2.879) 5.128 25.355 ( 1.357 1.194 -0.402) 1.852 25.364 ( -4.114 -0.256 2.913) 5.047 25.387 ( -5.266 0.534 4.197) 6.755 25.409 ( 3.146 -0.760 -2.253) 3.944 25.523 ( -9.329 3.605 -2.511) 10.311 25.588 ( -10.736 -3.073 -4.040) 11.876 ======================= Grid point 81 (31/40) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 20 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 0.000 -27.330) 27.330 1.916 ( 0.000 0.000 27.330) 27.330 2.108 ( 0.000 0.000 -33.928) 33.928 2.108 ( 0.000 0.000 33.928) 33.928 2.300 ( 0.000 0.000 -5.057) 5.057 2.300 ( 0.000 0.000 5.057) 5.057 2.396 ( 0.000 0.000 -5.015) 5.015 2.396 ( 0.000 0.000 5.015) 5.015 2.790 ( 0.000 0.000 -7.366) 7.366 2.790 ( 0.000 0.000 7.366) 7.366 2.844 ( 0.000 0.000 -3.928) 3.928 2.844 ( 0.000 0.000 3.928) 3.928 3.053 ( 0.000 0.000 -30.184) 30.184 3.053 ( 0.000 0.000 30.184) 30.184 3.158 ( 0.000 0.000 -5.633) 5.633 3.158 ( 0.000 0.000 5.633) 5.633 3.361 ( 0.000 0.000 -4.504) 4.504 3.361 ( 0.000 0.000 4.504) 4.504 3.647 ( 0.000 0.000 -2.157) 2.157 3.647 ( 0.000 0.000 2.157) 2.157 4.296 ( 0.000 0.000 -19.188) 19.188 4.296 ( 0.000 0.000 19.188) 19.188 4.416 ( 0.000 0.000 -13.390) 13.390 4.416 ( 0.000 0.000 13.390) 13.390 4.605 ( 0.000 0.000 -4.197) 4.197 4.605 ( 0.000 0.000 4.197) 4.197 4.747 ( 0.000 0.000 -0.782) 0.782 4.747 ( 0.000 0.000 0.782) 0.782 4.949 ( 0.000 0.000 -0.085) 0.085 4.949 ( 0.000 0.000 0.085) 0.085 5.007 ( 0.000 0.000 -2.229) 2.229 5.007 ( 0.000 0.000 2.229) 2.229 5.119 ( 0.000 0.000 -4.312) 4.312 5.119 ( 0.000 0.000 4.312) 4.312 5.392 ( 0.000 0.000 -1.324) 1.324 5.392 ( 0.000 0.000 1.324) 1.324 5.529 ( 0.000 0.000 -0.604) 0.604 5.529 ( 0.000 0.000 0.604) 0.604 5.567 ( 0.000 0.000 -7.026) 7.026 5.567 ( 0.000 0.000 7.026) 7.026 5.613 ( 0.000 0.000 -0.856) 0.856 5.613 ( 0.000 0.000 0.856) 0.856 5.712 ( 0.000 0.000 -4.910) 4.910 5.712 ( 0.000 0.000 4.910) 4.910 5.835 ( 0.000 0.000 -5.995) 5.995 5.835 ( 0.000 0.000 5.995) 5.995 5.917 ( 0.000 0.000 -0.486) 0.486 5.917 ( 0.000 0.000 0.486) 0.486 6.081 ( 0.000 0.000 -0.482) 0.482 6.081 ( 0.000 0.000 0.482) 0.482 6.179 ( 0.000 0.000 -3.871) 3.871 6.179 ( 0.000 0.000 3.871) 3.871 6.382 ( 0.000 0.000 -5.387) 5.387 6.382 ( 0.000 0.000 5.387) 5.387 6.530 ( 0.000 0.000 -13.416) 13.416 6.530 ( 0.000 0.000 13.416) 13.416 6.630 ( 0.000 0.000 -2.062) 2.062 6.630 ( 0.000 0.000 2.062) 2.062 6.754 ( 0.000 0.000 -8.236) 8.236 6.754 ( 0.000 0.000 8.236) 8.236 6.958 ( 0.000 0.000 -0.758) 0.758 6.958 ( 0.000 0.000 0.758) 0.758 7.120 ( 0.000 0.000 -14.747) 14.747 7.120 ( 0.000 0.000 14.747) 14.747 7.146 ( 0.000 0.000 -1.633) 1.633 7.146 ( 0.000 0.000 1.633) 1.633 7.236 ( 0.000 0.000 -5.491) 5.491 7.236 ( 0.000 0.000 5.491) 5.491 7.270 ( 0.000 0.000 -2.403) 2.403 7.270 ( 0.000 0.000 2.403) 2.403 7.325 ( 0.000 0.000 -1.860) 1.860 7.325 ( 0.000 0.000 1.860) 1.860 7.509 ( 0.000 0.000 -0.887) 0.887 7.509 ( 0.000 0.000 0.887) 0.887 7.552 ( 0.000 0.000 -0.301) 0.301 7.552 ( 0.000 0.000 0.301) 0.301 7.752 ( 0.000 0.000 -2.047) 2.047 7.752 ( 0.000 0.000 2.047) 2.047 7.797 ( 0.000 0.000 -1.553) 1.553 7.797 ( 0.000 0.000 1.553) 1.553 8.143 ( 0.000 0.000 -8.561) 8.561 8.143 ( 0.000 0.000 8.561) 8.561 8.254 ( 0.000 0.000 -2.362) 2.362 8.254 ( 0.000 0.000 2.362) 2.362 8.405 ( 0.000 0.000 -1.721) 1.721 8.405 ( 0.000 0.000 1.721) 1.721 8.416 ( 0.000 0.000 -4.167) 4.167 8.416 ( 0.000 0.000 4.167) 4.167 8.513 ( 0.000 0.000 -7.633) 7.633 8.513 ( 0.000 0.000 7.633) 7.633 8.881 ( 0.000 0.000 -5.576) 5.576 8.881 ( 0.000 0.000 5.576) 5.576 8.938 ( 0.000 0.000 -6.475) 6.475 8.938 ( 0.000 0.000 6.475) 6.475 8.946 ( 0.000 0.000 -2.358) 2.358 8.946 ( 0.000 0.000 2.358) 2.358 9.416 ( 0.000 0.000 -6.751) 6.751 9.416 ( 0.000 0.000 6.751) 6.751 9.521 ( 0.000 0.000 -0.985) 0.985 9.521 ( 0.000 0.000 0.985) 0.985 9.592 ( 0.000 0.000 -1.737) 1.737 9.592 ( 0.000 0.000 1.737) 1.737 9.782 ( 0.000 0.000 -12.849) 12.849 9.782 ( 0.000 0.000 12.849) 12.849 9.808 ( 0.000 0.000 -3.402) 3.402 9.808 ( 0.000 0.000 3.402) 3.402 9.921 ( 0.000 0.000 -0.217) 0.217 9.921 ( 0.000 0.000 0.217) 0.217 10.140 ( 0.000 0.000 -2.425) 2.425 10.140 ( 0.000 0.000 2.425) 2.425 10.194 ( 0.000 0.000 -7.724) 7.724 10.194 ( 0.000 0.000 7.724) 7.724 10.263 ( 0.000 0.000 -0.108) 0.108 10.263 ( 0.000 0.000 0.108) 0.108 10.273 ( 0.000 0.000 -6.934) 6.934 10.273 ( 0.000 0.000 6.934) 6.934 10.475 ( 0.000 0.000 -5.253) 5.253 10.475 ( 0.000 0.000 5.253) 5.253 10.528 ( 0.000 0.000 -7.059) 7.059 10.528 ( 0.000 0.000 7.059) 7.059 10.629 ( 0.000 0.000 -1.329) 1.329 10.629 ( 0.000 0.000 1.329) 1.329 10.724 ( 0.000 0.000 -6.881) 6.881 10.724 ( 0.000 0.000 6.881) 6.881 11.025 ( 0.000 0.000 -4.470) 4.470 11.025 ( 0.000 0.000 4.470) 4.470 11.102 ( 0.000 0.000 -3.190) 3.190 11.102 ( 0.000 0.000 3.190) 3.190 11.255 ( 0.000 0.000 -10.533) 10.533 11.255 ( 0.000 0.000 10.533) 10.533 11.350 ( 0.000 0.000 -6.017) 6.017 11.350 ( 0.000 0.000 6.017) 6.017 11.364 ( 0.000 0.000 -3.561) 3.561 11.364 ( 0.000 0.000 3.561) 3.561 11.678 ( 0.000 0.000 -4.311) 4.311 11.678 ( 0.000 0.000 4.311) 4.311 11.740 ( 0.000 0.000 -4.788) 4.788 11.740 ( 0.000 0.000 4.788) 4.788 11.837 ( 0.000 0.000 -3.280) 3.280 11.837 ( 0.000 0.000 3.280) 3.280 11.991 ( 0.000 0.000 -4.479) 4.479 11.991 ( 0.000 0.000 4.479) 4.479 12.143 ( 0.000 0.000 -1.783) 1.783 12.143 ( 0.000 0.000 1.783) 1.783 12.180 ( 0.000 0.000 -0.920) 0.920 12.180 ( 0.000 0.000 0.920) 0.920 12.379 ( 0.000 0.000 -3.610) 3.610 12.379 ( 0.000 0.000 3.610) 3.610 12.742 ( 0.000 0.000 -1.932) 1.932 12.742 ( 0.000 0.000 1.932) 1.932 12.802 ( 0.000 0.000 -2.961) 2.961 12.802 ( 0.000 0.000 2.961) 2.961 12.845 ( 0.000 0.000 -0.642) 0.642 12.845 ( 0.000 0.000 0.642) 0.642 12.863 ( 0.000 0.000 -0.050) 0.050 12.863 ( 0.000 0.000 0.050) 0.050 13.109 ( 0.000 0.000 -4.836) 4.836 13.109 ( 0.000 0.000 4.836) 4.836 13.288 ( 0.000 0.000 -2.134) 2.134 13.288 ( 0.000 0.000 2.134) 2.134 13.386 ( 0.000 0.000 -1.841) 1.841 13.386 ( 0.000 0.000 1.841) 1.841 13.511 ( 0.000 0.000 -0.107) 0.107 13.511 ( 0.000 0.000 0.107) 0.107 13.825 ( 0.000 0.000 -1.794) 1.794 13.825 ( 0.000 0.000 1.794) 1.794 13.906 ( 0.000 0.000 -3.840) 3.840 13.906 ( 0.000 0.000 3.840) 3.840 13.993 ( 0.000 0.000 -3.182) 3.182 13.993 ( 0.000 0.000 3.182) 3.182 14.117 ( 0.000 0.000 -8.764) 8.764 14.117 ( 0.000 0.000 8.764) 8.764 14.457 ( 0.000 0.000 -0.007) 0.007 14.457 ( 0.000 0.000 0.007) 0.007 14.681 ( 0.000 0.000 -14.616) 14.616 14.681 ( 0.000 0.000 14.616) 14.616 15.283 ( 0.000 0.000 -0.024) 0.024 15.283 ( 0.000 0.000 0.024) 0.024 15.513 ( 0.000 0.000 -3.479) 3.479 15.513 ( 0.000 0.000 3.479) 3.479 15.818 ( 0.000 0.000 -1.670) 1.670 15.818 ( 0.000 0.000 1.670) 1.670 15.863 ( 0.000 0.000 -1.733) 1.733 15.863 ( 0.000 0.000 1.733) 1.733 16.393 ( 0.000 0.000 -0.913) 0.913 16.393 ( 0.000 0.000 0.913) 0.913 16.438 ( 0.000 0.000 -0.176) 0.176 16.438 ( 0.000 0.000 0.176) 0.176 17.081 ( 0.000 0.000 -5.176) 5.176 17.081 ( 0.000 0.000 5.176) 5.176 17.167 ( 0.000 0.000 -3.018) 3.018 17.167 ( 0.000 0.000 3.018) 3.018 19.833 ( 0.000 0.000 -0.409) 0.409 19.833 ( 0.000 0.000 0.409) 0.409 19.837 ( 0.000 0.000 -0.474) 0.474 19.837 ( 0.000 0.000 0.474) 0.474 20.793 ( 0.000 0.000 -4.535) 4.535 20.793 ( 0.000 0.000 4.535) 4.535 21.063 ( 0.000 0.000 -3.488) 3.488 21.063 ( 0.000 0.000 3.488) 3.488 21.890 ( 0.000 0.000 -3.543) 3.543 21.890 ( 0.000 0.000 3.543) 3.543 22.128 ( 0.000 0.000 -4.656) 4.656 22.128 ( 0.000 0.000 4.656) 4.656 22.210 ( 0.000 0.000 -1.919) 1.919 22.210 ( 0.000 0.000 1.919) 1.919 22.260 ( 0.000 0.000 -0.189) 0.189 22.260 ( 0.000 0.000 0.189) 0.189 22.503 ( 0.000 0.000 -2.709) 2.709 22.503 ( 0.000 0.000 2.709) 2.709 22.603 ( 0.000 0.000 -1.390) 1.390 22.603 ( 0.000 0.000 1.390) 1.390 22.675 ( 0.000 0.000 -0.042) 0.042 22.675 ( 0.000 0.000 0.042) 0.042 23.083 ( 0.000 0.000 -6.957) 6.957 23.083 ( 0.000 0.000 6.957) 6.957 23.547 ( 0.000 0.000 -8.519) 8.519 23.547 ( 0.000 0.000 8.519) 8.519 23.758 ( 0.000 0.000 -6.953) 6.953 23.758 ( 0.000 0.000 6.953) 6.953 24.212 ( 0.000 0.000 -2.341) 2.341 24.212 ( 0.000 0.000 2.341) 2.341 24.235 ( 0.000 0.000 -1.143) 1.143 24.235 ( 0.000 0.000 1.143) 1.143 24.660 ( 0.000 0.000 -0.266) 0.266 24.660 ( 0.000 0.000 0.266) 0.266 24.750 ( 0.000 0.000 -1.454) 1.454 24.750 ( 0.000 0.000 1.454) 1.454 24.878 ( 0.000 0.000 -2.674) 2.674 24.878 ( 0.000 0.000 2.674) 2.674 25.223 ( 0.000 0.000 -2.046) 2.046 25.223 ( 0.000 0.000 2.046) 2.046 25.657 ( 0.000 0.000 -1.441) 1.441 25.657 ( 0.000 0.000 1.441) 1.441 25.700 ( 0.000 0.000 -0.972) 0.972 25.700 ( 0.000 0.000 0.972) 0.972 26.107 ( 0.000 0.000 -5.991) 5.991 26.107 ( 0.000 0.000 5.991) 5.991 26.362 ( 0.000 0.000 -4.042) 4.042 26.362 ( 0.000 0.000 4.042) 4.042 ======================= Grid point 83 (32/40) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.930 ( -8.970 0.000 -12.014) 14.993 1.930 ( -8.970 0.000 12.014) 14.993 2.195 ( 22.321 0.000 -17.697) 28.485 2.195 ( 22.321 0.000 17.697) 28.485 2.315 ( 5.180 0.000 -20.507) 21.151 2.315 ( 5.180 0.000 20.507) 21.151 2.656 ( 15.383 0.000 -0.675) 15.398 2.656 ( 15.383 0.000 0.675) 15.398 2.866 ( 3.905 0.000 -2.073) 4.421 2.866 ( 3.905 0.000 2.073) 4.421 2.983 ( 13.544 0.000 -4.775) 14.361 2.983 ( 13.544 0.000 4.775) 14.361 3.158 ( 10.103 0.000 -29.904) 31.565 3.158 ( 10.103 0.000 29.904) 31.565 3.354 ( 16.559 0.000 -3.401) 16.905 3.354 ( 16.559 0.000 3.401) 16.905 3.418 ( 7.644 0.000 -2.718) 8.113 3.418 ( 7.644 0.000 2.718) 8.113 3.790 ( 13.420 0.000 -1.838) 13.545 3.790 ( 13.420 0.000 1.838) 13.545 4.233 ( -1.108 0.000 -6.183) 6.281 4.233 ( -1.108 0.000 6.183) 6.281 4.373 ( -3.444 0.000 -5.373) 6.382 4.373 ( -3.444 0.000 5.373) 6.382 4.698 ( -2.206 0.000 -1.513) 2.675 4.698 ( -2.206 0.000 1.513) 2.675 4.864 ( 10.837 0.000 -0.906) 10.874 4.864 ( 10.837 0.000 0.906) 10.874 4.953 ( 2.732 0.000 -4.817) 5.537 4.953 ( 2.732 0.000 4.817) 5.537 5.053 ( -4.985 0.000 -3.949) 6.360 5.053 ( -4.985 0.000 3.949) 6.360 5.111 ( 7.575 0.000 -6.071) 9.707 5.111 ( 7.575 0.000 6.071) 9.707 5.328 ( -7.062 0.000 -10.157) 12.371 5.328 ( -7.062 0.000 10.157) 12.371 5.431 ( -4.921 0.000 -1.583) 5.169 5.431 ( -4.921 0.000 1.583) 5.169 5.509 ( -12.263 0.000 -1.161) 12.318 5.509 ( -12.263 0.000 1.161) 12.318 5.577 ( -0.714 0.000 -2.676) 2.770 5.577 ( -0.714 0.000 2.676) 2.770 5.682 ( 2.103 0.000 -1.720) 2.717 5.682 ( 2.103 0.000 1.720) 2.717 5.812 ( -1.386 0.000 -6.000) 6.158 5.812 ( -1.386 0.000 6.000) 6.158 5.935 ( 1.364 0.000 -2.888) 3.194 5.935 ( 1.364 0.000 2.888) 3.194 6.078 ( -0.137 0.000 -1.653) 1.659 6.078 ( -0.137 0.000 1.653) 1.659 6.253 ( 6.648 0.000 -0.253) 6.653 6.253 ( 6.648 0.000 0.253) 6.653 6.422 ( 3.006 0.000 -1.602) 3.406 6.422 ( 3.006 0.000 1.602) 3.406 6.546 ( -1.104 0.000 -0.281) 1.139 6.546 ( -1.104 0.000 0.281) 1.139 6.628 ( 1.333 0.000 -2.054) 2.449 6.628 ( 1.333 0.000 2.054) 2.449 6.713 ( -2.324 0.000 -0.970) 2.518 6.713 ( -2.324 0.000 0.970) 2.518 6.904 ( -4.017 0.000 -1.794) 4.400 6.904 ( -4.017 0.000 1.794) 4.400 7.068 ( -4.662 0.000 -12.096) 12.963 7.068 ( -4.662 0.000 12.096) 12.963 7.099 ( -3.791 0.000 -3.315) 5.036 7.099 ( -3.791 0.000 3.315) 5.036 7.167 ( -4.405 0.000 -2.513) 5.072 7.167 ( -4.405 0.000 2.513) 5.072 7.265 ( -1.793 0.000 -4.241) 4.604 7.265 ( -1.793 0.000 4.241) 4.604 7.399 ( 3.017 0.000 -3.242) 4.428 7.399 ( 3.017 0.000 3.242) 4.428 7.514 ( 1.340 0.000 -1.443) 1.969 7.514 ( 1.340 0.000 1.443) 1.969 7.617 ( 6.518 0.000 -2.710) 7.059 7.617 ( 6.518 0.000 2.710) 7.059 7.667 ( -4.185 0.000 -0.023) 4.185 7.667 ( -4.185 0.000 0.023) 4.185 7.803 ( 1.868 0.000 -0.332) 1.897 7.803 ( 1.868 0.000 0.332) 1.897 8.160 ( -5.895 0.000 -2.653) 6.464 8.160 ( -5.895 0.000 2.653) 6.464 8.215 ( 3.779 0.000 -7.944) 8.797 8.215 ( 3.779 0.000 7.944) 8.797 8.357 ( -3.236 0.000 -0.956) 3.374 8.357 ( -3.236 0.000 0.956) 3.374 8.513 ( 7.300 0.000 -1.091) 7.381 8.513 ( 7.300 0.000 1.091) 7.381 8.561 ( 3.833 0.000 -6.585) 7.619 8.561 ( 3.833 0.000 6.585) 7.619 8.850 ( -0.966 0.000 -1.792) 2.036 8.850 ( -0.966 0.000 1.792) 2.036 9.019 ( 4.515 0.000 -6.342) 7.784 9.019 ( 4.515 0.000 6.342) 7.784 9.105 ( 7.986 0.000 -1.980) 8.228 9.105 ( 7.986 0.000 1.980) 8.228 9.340 ( -3.037 0.000 -6.068) 6.786 9.340 ( -3.037 0.000 6.068) 6.786 9.421 ( -7.250 0.000 -3.352) 7.987 9.421 ( -7.250 0.000 3.352) 7.987 9.572 ( 0.220 0.000 -3.391) 3.398 9.572 ( 0.220 0.000 3.391) 3.398 9.751 ( -2.774 0.000 -11.063) 11.405 9.751 ( -2.774 0.000 11.063) 11.405 9.833 ( 0.314 0.000 -3.317) 3.332 9.833 ( 0.314 0.000 3.317) 3.332 9.938 ( -1.954 0.000 -2.349) 3.055 9.938 ( -1.954 0.000 2.349) 3.055 10.001 ( -5.053 0.000 -7.462) 9.012 10.001 ( -5.053 0.000 7.462) 9.012 10.241 ( 1.702 0.000 -3.603) 3.984 10.241 ( 1.702 0.000 3.603) 3.984 10.269 ( 1.665 0.000 -4.535) 4.830 10.269 ( 1.665 0.000 4.535) 4.830 10.420 ( 9.899 0.000 -3.691) 10.565 10.420 ( 9.899 0.000 3.691) 10.565 10.491 ( 0.886 0.000 -0.598) 1.069 10.491 ( 0.886 0.000 0.598) 1.069 10.527 ( 1.050 0.000 -6.939) 7.018 10.527 ( 1.050 0.000 6.939) 7.018 10.671 ( 0.579 0.000 -0.109) 0.589 10.671 ( 0.579 0.000 0.109) 0.589 10.706 ( 3.558 0.000 -4.852) 6.017 10.706 ( 3.558 0.000 4.852) 6.017 11.018 ( -0.119 0.000 -3.708) 3.710 11.018 ( -0.119 0.000 3.708) 3.710 11.130 ( 1.694 0.000 -2.297) 2.854 11.130 ( 1.694 0.000 2.297) 2.854 11.201 ( -2.792 0.000 -3.942) 4.831 11.201 ( -2.792 0.000 3.942) 4.831 11.333 ( -1.238 0.000 -1.624) 2.042 11.333 ( -1.238 0.000 1.624) 2.042 11.408 ( 2.755 0.000 -2.667) 3.834 11.408 ( 2.755 0.000 2.667) 3.834 11.624 ( -1.286 0.000 -3.617) 3.839 11.624 ( -1.286 0.000 3.617) 3.839 11.784 ( -2.639 0.000 -5.738) 6.315 11.784 ( -2.639 0.000 5.738) 6.315 11.889 ( 4.364 0.000 -1.360) 4.571 11.889 ( 4.364 0.000 1.360) 4.571 12.026 ( -0.730 0.000 -6.736) 6.776 12.026 ( -0.730 0.000 6.736) 6.776 12.139 ( -0.914 0.000 -2.737) 2.885 12.139 ( -0.914 0.000 2.737) 2.885 12.215 ( 3.777 0.000 -1.033) 3.916 12.215 ( 3.777 0.000 1.033) 3.916 12.494 ( 9.109 0.000 -2.499) 9.445 12.494 ( 9.109 0.000 2.499) 9.445 12.694 ( -6.686 0.000 -0.101) 6.687 12.694 ( -6.686 0.000 0.101) 6.687 12.737 ( -4.809 0.000 -1.602) 5.069 12.737 ( -4.809 0.000 1.602) 5.069 12.778 ( -5.304 0.000 -0.279) 5.311 12.778 ( -5.304 0.000 0.279) 5.311 12.822 ( -0.828 0.000 -3.608) 3.702 12.822 ( -0.828 0.000 3.608) 3.702 13.066 ( -3.802 0.000 -2.780) 4.709 13.066 ( -3.802 0.000 2.780) 4.709 13.290 ( -1.762 0.000 -2.255) 2.862 13.290 ( -1.762 0.000 2.255) 2.862 13.341 ( -1.587 0.000 -5.012) 5.257 13.341 ( -1.587 0.000 5.012) 5.257 13.513 ( 0.394 0.000 -1.597) 1.645 13.513 ( 0.394 0.000 1.597) 1.645 13.743 ( -3.097 0.000 -0.926) 3.233 13.743 ( -3.097 0.000 0.926) 3.233 13.972 ( -2.190 0.000 -4.416) 4.929 13.972 ( -2.190 0.000 4.416) 4.929 14.008 ( 3.701 0.000 -5.055) 6.265 14.008 ( 3.701 0.000 5.055) 6.265 14.183 ( 5.246 0.000 -8.024) 9.587 14.183 ( 5.246 0.000 8.024) 9.587 14.382 ( -3.214 0.000 -0.744) 3.299 14.382 ( -3.214 0.000 0.744) 3.299 14.687 ( -0.341 0.000 -16.148) 16.152 14.687 ( -0.341 0.000 16.148) 16.152 15.271 ( -0.987 0.000 -0.016) 0.987 15.271 ( -0.987 0.000 0.016) 0.987 15.503 ( -1.034 0.000 -2.570) 2.771 15.503 ( -1.034 0.000 2.570) 2.771 15.780 ( -3.453 0.000 -1.311) 3.694 15.780 ( -3.453 0.000 1.311) 3.694 15.831 ( -3.246 0.000 -1.621) 3.628 15.831 ( -3.246 0.000 1.621) 3.628 16.410 ( 1.090 0.000 -1.194) 1.617 16.410 ( 1.090 0.000 1.194) 1.617 16.465 ( 2.142 0.000 -1.276) 2.493 16.465 ( 2.142 0.000 1.276) 2.493 17.032 ( -4.620 0.000 -5.102) 6.883 17.032 ( -4.620 0.000 5.102) 6.883 17.115 ( -4.911 0.000 -2.891) 5.699 17.115 ( -4.911 0.000 2.891) 5.699 19.904 ( 6.576 0.000 -0.357) 6.586 19.904 ( 6.576 0.000 0.357) 6.586 19.929 ( 7.873 0.000 -0.932) 7.928 19.929 ( 7.873 0.000 0.932) 7.928 20.788 ( -0.533 0.000 -4.324) 4.357 20.788 ( -0.533 0.000 4.324) 4.357 21.021 ( -3.718 0.000 -2.260) 4.351 21.021 ( -3.718 0.000 2.260) 4.351 21.909 ( 1.378 0.000 -3.968) 4.201 21.909 ( 1.378 0.000 3.968) 4.201 22.154 ( 0.183 0.000 -2.457) 2.463 22.154 ( 0.183 0.000 2.457) 2.463 22.202 ( 0.210 0.000 -1.771) 1.784 22.202 ( 0.210 0.000 1.771) 1.784 22.298 ( 3.810 0.000 -0.531) 3.847 22.298 ( 3.810 0.000 0.531) 3.847 22.505 ( 0.529 0.000 -2.340) 2.399 22.505 ( 0.529 0.000 2.340) 2.399 22.641 ( 3.754 0.000 -2.015) 4.261 22.641 ( 3.754 0.000 2.015) 4.261 22.689 ( 1.686 0.000 -0.779) 1.857 22.689 ( 1.686 0.000 0.779) 1.857 23.032 ( -4.630 0.000 -6.058) 7.625 23.032 ( -4.630 0.000 6.058) 7.625 23.495 ( -4.344 0.000 -6.826) 8.091 23.495 ( -4.344 0.000 6.826) 8.091 23.731 ( -2.786 0.000 -6.554) 7.122 23.731 ( -2.786 0.000 6.554) 7.122 24.201 ( -1.365 0.000 -1.936) 2.369 24.201 ( -1.365 0.000 1.936) 2.369 24.211 ( -2.177 0.000 -1.929) 2.909 24.211 ( -2.177 0.000 1.929) 2.909 24.669 ( 0.628 0.000 -1.149) 1.309 24.669 ( 0.628 0.000 1.149) 1.309 24.752 ( 0.027 0.000 -1.080) 1.080 24.752 ( 0.027 0.000 1.080) 1.080 24.883 ( 0.628 0.000 -1.681) 1.795 24.883 ( 0.628 0.000 1.681) 1.795 25.208 ( -1.336 0.000 -1.929) 2.347 25.208 ( -1.336 0.000 1.929) 2.347 25.547 ( -9.872 0.000 -0.403) 9.880 25.547 ( -9.872 0.000 0.403) 9.880 25.619 ( -7.403 0.000 -0.918) 7.460 25.619 ( -7.403 0.000 0.918) 7.460 26.035 ( -6.528 0.000 -5.284) 8.399 26.035 ( -6.528 0.000 5.284) 8.399 26.245 ( -10.133 0.000 -6.390) 11.980 26.245 ( -10.133 0.000 6.390) 11.980 ======================= Grid point 85 (33/40) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 4.300 0.000 -4.703) 6.373 1.874 ( 4.300 0.000 4.703) 6.373 2.424 ( 8.045 0.000 -27.915) 29.051 2.424 ( 8.045 0.000 27.915) 29.051 2.712 ( 20.974 0.000 -16.301) 26.564 2.712 ( 20.974 0.000 16.301) 26.564 2.947 ( 10.252 0.000 -0.218) 10.254 2.947 ( 10.252 0.000 0.218) 10.254 2.968 ( 8.610 0.000 -13.003) 15.595 2.968 ( 8.610 0.000 13.003) 15.595 3.278 ( 13.564 0.000 -2.763) 13.842 3.278 ( 13.564 0.000 2.763) 13.842 3.510 ( 22.884 0.000 -19.676) 30.179 3.510 ( 22.884 0.000 19.676) 30.179 3.631 ( 9.869 0.000 -0.978) 9.918 3.631 ( 9.869 0.000 0.978) 9.918 3.740 ( 16.401 0.000 -1.483) 16.468 3.740 ( 16.401 0.000 1.483) 16.468 4.111 ( 12.330 0.000 -1.101) 12.379 4.111 ( 12.330 0.000 1.101) 12.379 4.242 ( 0.516 0.000 -3.369) 3.408 4.242 ( 0.516 0.000 3.369) 3.408 4.354 ( 3.859 0.000 -2.171) 4.428 4.354 ( 3.859 0.000 2.171) 4.428 4.683 ( 2.324 0.000 -0.596) 2.399 4.683 ( 2.324 0.000 0.596) 2.399 4.815 ( -5.777 0.000 -5.197) 7.770 4.815 ( -5.777 0.000 5.197) 7.770 4.860 ( -5.753 0.000 -0.571) 5.782 4.860 ( -5.753 0.000 0.571) 5.782 5.088 ( -4.501 0.000 -0.602) 4.541 5.088 ( -4.501 0.000 0.602) 4.541 5.151 ( -7.034 0.000 -0.021) 7.034 5.151 ( -7.034 0.000 0.021) 7.034 5.179 ( -15.110 0.000 -2.655) 15.342 5.179 ( -15.110 0.000 2.655) 15.342 5.278 ( 1.851 0.000 -4.077) 4.477 5.278 ( 1.851 0.000 4.077) 4.477 5.437 ( 5.108 0.000 -0.882) 5.183 5.437 ( 5.108 0.000 0.882) 5.183 5.593 ( 1.190 0.000 -4.158) 4.324 5.593 ( 1.190 0.000 4.158) 4.324 5.757 ( 1.902 0.000 -1.713) 2.560 5.757 ( 1.902 0.000 1.713) 2.560 5.786 ( 7.480 0.000 -1.442) 7.618 5.786 ( 7.480 0.000 1.442) 7.618 6.019 ( 3.191 0.000 -0.110) 3.193 6.019 ( 3.191 0.000 0.110) 3.193 6.064 ( -1.036 0.000 -2.280) 2.504 6.064 ( -1.036 0.000 2.280) 2.504 6.387 ( 3.321 0.000 -0.412) 3.347 6.387 ( 3.321 0.000 0.412) 3.347 6.477 ( 2.341 0.000 -2.372) 3.333 6.477 ( 2.341 0.000 2.372) 3.333 6.502 ( -3.811 0.000 -7.389) 8.314 6.502 ( -3.811 0.000 7.389) 8.314 6.600 ( 2.074 0.000 -4.045) 4.546 6.600 ( 2.074 0.000 4.045) 4.546 6.773 ( -10.181 0.000 -4.120) 10.983 6.773 ( -10.181 0.000 4.120) 10.983 6.812 ( 7.840 0.000 -0.058) 7.840 6.812 ( 7.840 0.000 0.058) 7.840 6.901 ( -5.525 0.000 -5.807) 8.016 6.901 ( -5.525 0.000 5.807) 8.016 7.075 ( 0.755 0.000 -4.576) 4.638 7.075 ( 0.755 0.000 4.576) 4.638 7.121 ( 1.813 0.000 -0.471) 1.873 7.121 ( 1.813 0.000 0.471) 1.873 7.249 ( -0.280 0.000 -3.643) 3.653 7.249 ( -0.280 0.000 3.643) 3.653 7.403 ( -0.247 0.000 -3.566) 3.574 7.403 ( -0.247 0.000 3.566) 3.574 7.579 ( -1.422 0.000 -8.305) 8.426 7.579 ( -1.422 0.000 8.305) 8.426 7.659 ( 6.752 0.000 -2.350) 7.149 7.659 ( 6.752 0.000 2.350) 7.149 7.785 ( 7.877 0.000 -1.699) 8.058 7.785 ( 7.877 0.000 1.699) 8.058 7.851 ( 1.223 0.000 -1.641) 2.046 7.851 ( 1.223 0.000 1.641) 2.046 8.014 ( -4.929 0.000 -6.528) 8.180 8.014 ( -4.929 0.000 6.528) 8.180 8.262 ( -0.939 0.000 -3.828) 3.942 8.262 ( -0.939 0.000 3.828) 3.942 8.361 ( 5.354 0.000 -1.670) 5.608 8.361 ( 5.354 0.000 1.670) 5.608 8.624 ( 4.159 0.000 -3.085) 5.178 8.624 ( 4.159 0.000 3.085) 5.178 8.731 ( 10.285 0.000 -1.902) 10.459 8.731 ( 10.285 0.000 1.902) 10.459 8.808 ( -4.546 0.000 -2.401) 5.141 8.808 ( -4.546 0.000 2.401) 5.141 8.945 ( -7.628 0.000 -2.083) 7.907 8.945 ( -7.628 0.000 2.083) 7.907 9.136 ( 0.100 0.000 -6.995) 6.996 9.136 ( 0.100 0.000 6.995) 6.996 9.273 ( -3.510 0.000 -3.596) 5.025 9.273 ( -3.510 0.000 3.596) 5.025 9.504 ( 9.381 0.000 -5.692) 10.973 9.504 ( 9.381 0.000 5.692) 10.973 9.634 ( -0.012 0.000 -5.890) 5.890 9.634 ( -0.012 0.000 5.890) 5.890 9.716 ( 3.360 0.000 -7.406) 8.133 9.716 ( 3.360 0.000 7.406) 8.133 9.774 ( -6.163 0.000 -1.662) 6.383 9.774 ( -6.163 0.000 1.662) 6.383 9.787 ( -6.844 0.000 -1.264) 6.960 9.787 ( -6.844 0.000 1.264) 6.960 9.966 ( -2.159 0.000 -8.362) 8.636 9.966 ( -2.159 0.000 8.362) 8.636 10.252 ( -0.933 0.000 -1.612) 1.863 10.252 ( -0.933 0.000 1.612) 1.863 10.323 ( 3.179 0.000 -10.134) 10.621 10.323 ( 3.179 0.000 10.134) 10.621 10.474 ( -1.362 0.000 -1.264) 1.858 10.474 ( -1.362 0.000 1.264) 1.858 10.601 ( 5.611 0.000 -4.379) 7.118 10.601 ( 5.611 0.000 4.379) 7.118 10.658 ( 9.581 0.000 -0.785) 9.613 10.658 ( 9.581 0.000 0.785) 9.613 10.721 ( 8.491 0.000 -1.445) 8.613 10.721 ( 8.491 0.000 1.445) 8.613 10.854 ( 7.704 0.000 -1.992) 7.958 10.854 ( 7.704 0.000 1.992) 7.958 11.035 ( 1.481 0.000 -0.540) 1.577 11.035 ( 1.481 0.000 0.540) 1.577 11.099 ( -2.335 0.000 -1.630) 2.848 11.099 ( -2.335 0.000 1.630) 2.848 11.223 ( 1.457 0.000 -3.263) 3.574 11.223 ( 1.457 0.000 3.263) 3.574 11.306 ( -0.364 0.000 -0.385) 0.530 11.306 ( -0.364 0.000 0.385) 0.530 11.460 ( 1.929 0.000 -1.478) 2.430 11.460 ( 1.929 0.000 1.478) 2.430 11.578 ( -4.511 0.000 -0.767) 4.576 11.578 ( -4.511 0.000 0.767) 4.576 11.683 ( -6.985 0.000 -1.528) 7.151 11.683 ( -6.985 0.000 1.528) 7.151 11.788 ( -15.517 0.000 -1.546) 15.593 11.788 ( -15.517 0.000 1.546) 15.593 12.007 ( -0.348 0.000 -0.661) 0.747 12.007 ( -0.348 0.000 0.661) 0.747 12.106 ( 0.358 0.000 -2.559) 2.584 12.106 ( 0.358 0.000 2.559) 2.584 12.216 ( -7.158 0.000 -2.645) 7.631 12.216 ( -7.158 0.000 2.645) 7.631 12.431 ( -5.881 0.000 -4.598) 7.465 12.431 ( -5.881 0.000 4.598) 7.465 12.558 ( -9.341 0.000 -4.886) 10.542 12.558 ( -9.341 0.000 4.886) 10.542 12.665 ( -5.074 0.000 -2.713) 5.754 12.665 ( -5.074 0.000 2.713) 5.754 12.809 ( -1.402 0.000 -3.724) 3.979 12.809 ( -1.402 0.000 3.724) 3.979 12.860 ( 10.666 0.000 -2.799) 11.027 12.860 ( 10.666 0.000 2.799) 11.027 13.017 ( 1.474 0.000 -2.070) 2.541 13.017 ( 1.474 0.000 2.070) 2.541 13.192 ( -5.184 0.000 -8.570) 10.016 13.192 ( -5.184 0.000 8.570) 10.016 13.378 ( 2.757 0.000 -2.519) 3.735 13.378 ( 2.757 0.000 2.519) 3.735 13.488 ( -3.296 0.000 -0.385) 3.319 13.488 ( -3.296 0.000 0.385) 3.319 13.730 ( 0.928 0.000 -1.409) 1.687 13.730 ( 0.928 0.000 1.409) 1.687 13.828 ( -7.384 0.000 -2.089) 7.674 13.828 ( -7.384 0.000 2.089) 7.674 14.127 ( 6.699 0.000 -5.087) 8.412 14.127 ( 6.699 0.000 5.087) 8.412 14.281 ( 3.943 0.000 -8.645) 9.502 14.281 ( 3.943 0.000 8.645) 9.502 14.396 ( 3.459 0.000 -1.141) 3.642 14.396 ( 3.459 0.000 1.141) 3.642 14.667 ( -1.262 0.000 -15.695) 15.746 14.667 ( -1.262 0.000 15.695) 15.746 15.253 ( -0.487 0.000 -0.349) 0.599 15.253 ( -0.487 0.000 0.349) 0.599 15.470 ( -2.133 0.000 -0.656) 2.231 15.470 ( -2.133 0.000 0.656) 2.231 15.686 ( -5.339 0.000 -1.206) 5.473 15.686 ( -5.339 0.000 1.206) 5.473 15.733 ( -5.857 0.000 -1.574) 6.065 15.733 ( -5.857 0.000 1.574) 6.065 16.423 ( 0.196 0.000 -1.544) 1.557 16.423 ( 0.196 0.000 1.544) 1.557 16.501 ( 0.952 0.000 -2.470) 2.647 16.501 ( 0.952 0.000 2.470) 2.647 16.900 ( -7.666 0.000 -4.872) 9.083 16.900 ( -7.666 0.000 4.872) 9.083 16.972 ( -8.582 0.000 -2.766) 9.016 16.972 ( -8.582 0.000 2.766) 9.016 20.078 ( 9.498 0.000 -1.118) 9.564 20.078 ( 9.498 0.000 1.118) 9.564 20.122 ( 9.928 0.000 -3.368) 10.484 20.122 ( 9.928 0.000 3.368) 10.484 20.766 ( -1.700 0.000 -3.690) 4.063 20.766 ( -1.700 0.000 3.690) 4.063 20.924 ( -5.416 0.000 -0.586) 5.447 20.924 ( -5.416 0.000 0.586) 5.447 21.926 ( 0.027 0.000 -3.826) 3.826 21.926 ( 0.027 0.000 3.826) 3.826 22.109 ( -3.446 0.000 -2.288) 4.136 22.109 ( -3.446 0.000 2.288) 4.136 22.211 ( -0.660 0.000 -0.988) 1.188 22.211 ( -0.660 0.000 0.988) 1.188 22.358 ( 0.626 0.000 -1.081) 1.249 22.358 ( 0.626 0.000 1.081) 1.249 22.569 ( 5.670 0.000 -3.375) 6.598 22.569 ( 5.670 0.000 3.375) 6.598 22.747 ( 6.086 0.000 -1.695) 6.318 22.747 ( 6.086 0.000 1.695) 6.318 22.767 ( 6.075 0.000 -0.499) 6.096 22.767 ( 6.075 0.000 0.499) 6.096 22.922 ( -4.538 0.000 -4.797) 6.603 22.922 ( -4.538 0.000 4.797) 6.603 23.400 ( -4.215 0.000 -3.605) 5.546 23.400 ( -4.215 0.000 3.605) 5.546 23.646 ( -5.060 0.000 -5.103) 7.186 23.646 ( -5.060 0.000 5.103) 7.186 24.127 ( -5.581 0.000 -2.826) 6.256 24.127 ( -5.581 0.000 2.826) 6.256 24.154 ( -4.217 0.000 -0.395) 4.236 24.154 ( -4.217 0.000 0.395) 4.236 24.674 ( -0.359 0.000 -2.367) 2.394 24.674 ( -0.359 0.000 2.367) 2.394 24.746 ( -0.781 0.000 -1.137) 1.379 24.746 ( -0.781 0.000 1.137) 1.379 24.908 ( 1.706 0.000 -0.012) 1.706 24.908 ( 1.706 0.000 0.012) 1.706 25.177 ( -1.504 0.000 -0.538) 1.598 25.177 ( -1.504 0.000 0.538) 1.598 25.308 ( -11.152 0.000 -1.379) 11.237 25.308 ( -11.152 0.000 1.379) 11.237 25.429 ( -9.650 0.000 -1.479) 9.762 25.429 ( -9.650 0.000 1.479) 9.762 25.859 ( -9.934 0.000 -3.881) 10.665 25.859 ( -9.934 0.000 3.881) 10.665 26.000 ( -12.496 0.000 -8.659) 15.203 26.000 ( -12.496 0.000 8.659) 15.203 ======================= Grid point 87 (34/40) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 16.168 0.000 -1.276) 16.218 2.095 ( 16.168 0.000 1.276) 16.218 2.631 ( 11.856 0.000 -21.132) 24.231 2.631 ( 11.856 0.000 21.132) 24.231 3.037 ( 11.255 0.000 -2.657) 11.564 3.037 ( 11.255 0.000 2.657) 11.564 3.137 ( 9.023 0.000 -6.661) 11.215 3.137 ( 9.023 0.000 6.661) 11.215 3.191 ( 9.408 0.000 -7.671) 12.139 3.191 ( 9.408 0.000 7.671) 12.139 3.485 ( 0.689 0.000 -0.759) 1.026 3.485 ( 0.689 0.000 0.759) 1.026 3.633 ( -2.202 0.000 -3.697) 4.303 3.633 ( -2.202 0.000 3.697) 4.303 3.745 ( -4.294 0.000 -1.315) 4.491 3.745 ( -4.294 0.000 1.315) 4.491 4.081 ( 14.661 0.000 -2.126) 14.815 4.081 ( 14.661 0.000 2.126) 14.815 4.224 ( -5.264 0.000 -1.220) 5.404 4.224 ( -5.264 0.000 1.220) 5.404 4.319 ( 12.014 0.000 -5.423) 13.181 4.319 ( 12.014 0.000 5.423) 13.181 4.477 ( -13.915 0.000 -5.217) 14.861 4.477 ( -13.915 0.000 5.217) 14.861 4.587 ( 15.852 0.000 -4.877) 16.585 4.587 ( 15.852 0.000 4.877) 16.585 4.758 ( -5.656 0.000 -2.065) 6.022 4.758 ( -5.656 0.000 2.065) 6.022 4.895 ( -5.011 0.000 -1.177) 5.148 4.895 ( -5.011 0.000 1.177) 5.148 5.002 ( 0.609 0.000 -4.602) 4.642 5.002 ( 0.609 0.000 4.602) 4.642 5.074 ( 7.761 0.000 -4.522) 8.982 5.074 ( 7.761 0.000 4.522) 8.982 5.157 ( 18.544 0.000 -4.020) 18.974 5.157 ( 18.544 0.000 4.020) 18.974 5.267 ( -2.625 0.000 -2.393) 3.552 5.267 ( -2.625 0.000 2.393) 3.552 5.344 ( -9.580 0.000 -8.103) 12.547 5.344 ( -9.580 0.000 8.103) 12.547 5.661 ( -6.798 0.000 -6.284) 9.258 5.661 ( -6.798 0.000 6.284) 9.258 5.773 ( 9.369 0.000 -6.388) 11.339 5.773 ( 9.369 0.000 6.388) 11.339 6.005 ( 4.113 0.000 -2.688) 4.913 6.005 ( 4.113 0.000 2.688) 4.913 6.045 ( -0.273 0.000 -3.211) 3.222 6.045 ( -0.273 0.000 3.211) 3.222 6.133 ( 8.296 0.000 -9.272) 12.442 6.133 ( 8.296 0.000 9.272) 12.442 6.312 ( -5.774 0.000 -1.822) 6.055 6.312 ( -5.774 0.000 1.822) 6.055 6.428 ( -2.636 0.000 -5.097) 5.739 6.428 ( -2.636 0.000 5.097) 5.739 6.520 ( -5.159 0.000 -4.322) 6.730 6.520 ( -5.159 0.000 4.322) 6.730 6.581 ( 1.667 0.000 -5.194) 5.455 6.581 ( 1.667 0.000 5.194) 5.455 6.678 ( 2.857 0.000 -7.036) 7.594 6.678 ( 2.857 0.000 7.036) 7.594 6.868 ( 0.582 0.000 -2.051) 2.132 6.868 ( 0.582 0.000 2.051) 2.132 6.996 ( -3.640 0.000 -2.511) 4.422 6.996 ( -3.640 0.000 2.511) 4.422 7.049 ( 7.284 0.000 -1.696) 7.479 7.049 ( 7.284 0.000 1.696) 7.479 7.233 ( 3.567 0.000 -0.066) 3.567 7.233 ( 3.567 0.000 0.066) 3.567 7.288 ( 6.473 0.000 -4.516) 7.893 7.288 ( 6.473 0.000 4.516) 7.893 7.338 ( -3.720 0.000 -2.084) 4.264 7.338 ( -3.720 0.000 2.084) 4.264 7.608 ( 2.471 0.000 -1.192) 2.743 7.608 ( 2.471 0.000 1.192) 2.743 7.734 ( -5.738 0.000 -2.407) 6.222 7.734 ( -5.738 0.000 2.407) 6.222 7.793 ( 2.141 0.000 -1.405) 2.561 7.793 ( 2.141 0.000 1.405) 2.561 7.896 ( 2.471 0.000 -2.011) 3.186 7.896 ( 2.471 0.000 2.011) 3.186 8.097 ( 4.101 0.000 -3.327) 5.281 8.097 ( 4.101 0.000 3.327) 5.281 8.212 ( 1.953 0.000 -0.042) 1.954 8.212 ( 1.953 0.000 0.042) 1.954 8.458 ( -4.471 0.000 -1.704) 4.784 8.458 ( -4.471 0.000 1.704) 4.784 8.693 ( 7.621 0.000 -2.727) 8.095 8.693 ( 7.621 0.000 2.727) 8.095 8.799 ( 7.526 0.000 -0.489) 7.541 8.799 ( 7.526 0.000 0.489) 7.541 8.806 ( -0.330 0.000 -5.368) 5.378 8.806 ( -0.330 0.000 5.368) 5.378 9.004 ( 13.269 0.000 -0.370) 13.274 9.004 ( 13.269 0.000 0.370) 13.274 9.225 ( 7.792 0.000 -2.541) 8.196 9.225 ( 7.792 0.000 2.541) 8.196 9.258 ( 0.736 0.000 -3.737) 3.809 9.258 ( 0.736 0.000 3.737) 3.809 9.523 ( -8.944 0.000 -0.821) 8.982 9.523 ( -8.944 0.000 0.821) 8.982 9.539 ( -3.773 0.000 -3.488) 5.139 9.539 ( -3.773 0.000 3.488) 5.139 9.622 ( -5.422 0.000 -0.520) 5.446 9.622 ( -5.422 0.000 0.520) 5.446 9.730 ( -2.850 0.000 -3.501) 4.514 9.730 ( -2.850 0.000 3.501) 4.514 9.791 ( 3.764 0.000 -7.299) 8.212 9.791 ( 3.764 0.000 7.299) 8.212 10.018 ( 6.382 0.000 -1.898) 6.658 10.018 ( 6.382 0.000 1.898) 6.658 10.202 ( -3.186 0.000 -2.112) 3.823 10.202 ( -3.186 0.000 2.112) 3.823 10.373 ( -2.739 0.000 -9.031) 9.437 10.373 ( -2.739 0.000 9.031) 9.437 10.425 ( 0.493 0.000 -2.274) 2.327 10.425 ( 0.493 0.000 2.274) 2.327 10.727 ( 4.670 0.000 -1.624) 4.944 10.727 ( 4.670 0.000 1.624) 4.944 10.819 ( 2.519 0.000 -0.762) 2.632 10.819 ( 2.519 0.000 0.762) 2.632 10.893 ( 2.371 0.000 -4.090) 4.727 10.893 ( 2.371 0.000 4.090) 4.727 10.955 ( -6.359 0.000 -4.228) 7.636 10.955 ( -6.359 0.000 4.228) 7.636 11.010 ( 1.048 0.000 -0.693) 1.257 11.010 ( 1.048 0.000 0.693) 1.257 11.068 ( 0.543 0.000 -0.921) 1.070 11.068 ( 0.543 0.000 0.921) 1.070 11.233 ( 2.118 0.000 -0.405) 2.156 11.233 ( 2.118 0.000 0.405) 2.156 11.330 ( -3.525 0.000 -1.405) 3.794 11.330 ( -3.525 0.000 1.405) 3.794 11.362 ( -8.686 0.000 -3.739) 9.457 11.362 ( -8.686 0.000 3.739) 9.457 11.456 ( -4.847 0.000 -1.161) 4.984 11.456 ( -4.847 0.000 1.161) 4.984 11.504 ( -4.183 0.000 -2.789) 5.027 11.504 ( -4.183 0.000 2.789) 5.027 11.559 ( -0.761 0.000 -1.925) 2.070 11.559 ( -0.761 0.000 1.925) 2.070 11.999 ( -4.084 0.000 -3.634) 5.467 11.999 ( -4.084 0.000 3.634) 5.467 12.015 ( -5.801 0.000 -5.372) 7.907 12.015 ( -5.801 0.000 5.372) 7.907 12.152 ( 2.803 0.000 -4.794) 5.553 12.152 ( 2.803 0.000 4.794) 5.553 12.347 ( -8.136 0.000 -7.645) 11.165 12.347 ( -8.136 0.000 7.645) 11.165 12.388 ( -1.831 0.000 -6.678) 6.925 12.388 ( -1.831 0.000 6.678) 6.925 12.561 ( -4.532 0.000 -2.717) 5.284 12.561 ( -4.532 0.000 2.717) 5.284 12.765 ( -2.261 0.000 -2.516) 3.382 12.765 ( -2.261 0.000 2.516) 3.382 12.929 ( -0.871 0.000 -7.318) 7.369 12.929 ( -0.871 0.000 7.318) 7.369 13.031 ( -4.826 0.000 -8.343) 9.638 13.031 ( -4.826 0.000 8.343) 9.638 13.144 ( -2.188 0.000 -0.821) 2.337 13.144 ( -2.188 0.000 0.821) 2.337 13.385 ( 2.765 0.000 -6.196) 6.785 13.385 ( 2.765 0.000 6.196) 6.785 13.503 ( 4.084 0.000 -5.827) 7.116 13.503 ( 4.084 0.000 5.827) 7.116 13.722 ( -2.301 0.000 -2.790) 3.617 13.722 ( -2.301 0.000 2.790) 3.617 13.742 ( -1.266 0.000 -1.125) 1.694 13.742 ( -1.266 0.000 1.125) 1.694 14.275 ( 7.278 0.000 -3.716) 8.172 14.275 ( 7.278 0.000 3.716) 8.172 14.372 ( 5.063 0.000 -10.046) 11.249 14.372 ( 5.063 0.000 10.046) 11.249 14.467 ( 2.477 0.000 -1.455) 2.872 14.467 ( 2.477 0.000 1.455) 2.872 14.636 ( -1.947 0.000 -13.509) 13.648 14.636 ( -1.947 0.000 13.509) 13.648 15.261 ( 1.422 0.000 -1.094) 1.794 15.261 ( 1.422 0.000 1.094) 1.794 15.423 ( -2.136 0.000 -0.829) 2.292 15.423 ( -2.136 0.000 0.829) 2.292 15.569 ( -5.637 0.000 -1.551) 5.847 15.569 ( -5.637 0.000 1.551) 5.847 15.604 ( -6.137 0.000 -1.599) 6.342 15.604 ( -6.137 0.000 1.599) 6.342 16.428 ( 0.658 0.000 -2.254) 2.348 16.428 ( 0.658 0.000 2.254) 2.348 16.504 ( -0.300 0.000 -2.316) 2.336 16.504 ( -0.300 0.000 2.316) 2.336 16.733 ( -7.929 0.000 -4.488) 9.111 16.733 ( -7.929 0.000 4.488) 9.111 16.779 ( -9.519 0.000 -2.841) 9.934 16.779 ( -9.519 0.000 2.841) 9.934 20.275 ( 9.180 0.000 -1.717) 9.339 20.275 ( 9.180 0.000 1.717) 9.339 20.320 ( 8.866 0.000 -3.483) 9.526 20.320 ( 8.866 0.000 3.483) 9.526 20.712 ( -3.536 0.000 -2.631) 4.407 20.712 ( -3.536 0.000 2.631) 4.407 20.802 ( -6.220 0.000 -0.006) 6.220 20.802 ( -6.220 0.000 0.006) 6.220 21.918 ( -0.435 0.000 -2.919) 2.951 21.918 ( -0.435 0.000 2.919) 2.951 22.031 ( -3.840 0.000 -2.573) 4.623 22.031 ( -3.840 0.000 2.573) 4.623 22.175 ( -1.877 0.000 -0.441) 1.928 22.175 ( -1.877 0.000 0.441) 1.928 22.321 ( -4.060 0.000 -1.108) 4.209 22.321 ( -4.060 0.000 1.108) 4.209 22.693 ( 6.056 0.000 -1.192) 6.172 22.693 ( 6.056 0.000 1.192) 6.172 22.845 ( 2.490 0.000 -2.137) 3.281 22.845 ( 2.490 0.000 2.137) 3.281 22.913 ( 7.072 0.000 -0.690) 7.106 22.913 ( 7.072 0.000 0.690) 7.106 22.927 ( 4.312 0.000 -3.156) 5.343 22.927 ( 4.312 0.000 3.156) 5.343 23.352 ( 0.826 0.000 -1.511) 1.722 23.352 ( 0.826 0.000 1.511) 1.722 23.549 ( -3.192 0.000 -2.771) 4.227 23.549 ( -3.192 0.000 2.771) 4.227 23.967 ( -9.863 0.000 -3.436) 10.444 23.967 ( -9.863 0.000 3.436) 10.444 24.014 ( -9.366 0.000 -0.752) 9.396 24.014 ( -9.366 0.000 0.752) 9.396 24.659 ( -0.718 0.000 -1.691) 1.837 24.659 ( -0.718 0.000 1.691) 1.837 24.716 ( -2.013 0.000 -1.164) 2.325 24.716 ( -2.013 0.000 1.164) 2.325 24.943 ( 1.303 0.000 -0.689) 1.474 24.943 ( 1.303 0.000 0.689) 1.474 25.086 ( -6.179 0.000 -4.323) 7.541 25.086 ( -6.179 0.000 4.323) 7.541 25.218 ( 2.238 0.000 -5.017) 5.494 25.218 ( 2.238 0.000 5.017) 5.494 25.279 ( -3.566 0.000 -2.175) 4.177 25.279 ( -3.566 0.000 2.175) 4.177 25.643 ( -10.444 0.000 -3.187) 10.919 25.643 ( -10.444 0.000 3.187) 10.919 25.745 ( -11.907 0.000 -7.991) 14.340 25.745 ( -11.907 0.000 7.991) 14.340 ======================= Grid point 89 (35/40) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.505 ( 22.497 0.000 -0.829) 22.512 2.505 ( 22.497 0.000 0.829) 22.512 2.895 ( 9.914 0.000 -11.682) 15.322 2.895 ( 9.914 0.000 11.682) 15.322 2.992 ( -16.608 0.000 -0.181) 16.609 2.992 ( -16.608 0.000 0.181) 16.609 3.189 ( -10.849 0.000 -6.999) 12.911 3.189 ( -10.849 0.000 6.999) 12.911 3.282 ( 12.372 0.000 -1.281) 12.438 3.282 ( 12.372 0.000 1.281) 12.438 3.530 ( -8.066 0.000 -2.358) 8.404 3.530 ( -8.066 0.000 2.358) 8.404 3.609 ( 13.753 0.000 -5.517) 14.819 3.609 ( 13.753 0.000 5.517) 14.819 3.799 ( 10.550 0.000 -7.775) 13.106 3.799 ( 10.550 0.000 7.775) 13.106 3.993 ( -14.953 0.000 -5.386) 15.893 3.993 ( -14.953 0.000 5.386) 15.893 4.099 ( -14.218 0.000 -2.454) 14.428 4.099 ( -14.218 0.000 2.454) 14.428 4.352 ( 6.145 0.000 -10.818) 12.442 4.352 ( 6.145 0.000 10.818) 12.442 4.441 ( -1.644 0.000 -3.437) 3.810 4.441 ( -1.644 0.000 3.437) 3.810 4.712 ( 7.022 0.000 -6.968) 9.893 4.712 ( 7.022 0.000 6.968) 9.893 4.895 ( -3.477 0.000 -3.815) 5.162 4.895 ( -3.476 0.000 3.815) 5.162 4.910 ( 7.780 0.000 -1.567) 7.936 4.910 ( 7.780 0.000 1.566) 7.936 4.969 ( 1.633 0.000 -3.118) 3.520 4.969 ( 1.633 0.000 3.118) 3.520 5.137 ( -6.765 0.000 -1.641) 6.961 5.137 ( -6.765 0.000 1.641) 6.961 5.164 ( -4.901 0.000 -0.638) 4.942 5.164 ( -4.901 0.000 0.638) 4.942 5.445 ( 18.513 0.000 -5.873) 19.422 5.445 ( 18.513 0.000 5.873) 19.422 5.562 ( 18.274 0.000 -8.932) 20.340 5.562 ( 18.274 0.000 8.932) 20.340 5.630 ( 5.286 0.000 -3.666) 6.433 5.630 ( 5.286 0.000 3.666) 6.433 5.843 ( -5.452 0.000 -3.185) 6.315 5.843 ( -5.452 0.000 3.185) 6.314 5.897 ( -10.618 0.000 -1.227) 10.689 5.897 ( -10.618 0.000 1.227) 10.689 5.961 ( -11.410 0.000 -3.488) 11.931 5.961 ( -11.410 0.000 3.488) 11.931 6.173 ( 5.015 0.000 -6.377) 8.113 6.173 ( 5.015 0.000 6.377) 8.113 6.261 ( -3.989 0.000 -2.011) 4.467 6.261 ( -3.989 0.000 2.011) 4.467 6.481 ( 7.163 0.000 -1.093) 7.246 6.481 ( 7.163 0.000 1.093) 7.246 6.592 ( 8.222 0.000 -0.338) 8.229 6.592 ( 8.222 0.000 0.338) 8.229 6.623 ( 0.963 0.000 -6.477) 6.548 6.623 ( 0.963 0.000 6.477) 6.548 6.715 ( -11.515 0.000 -4.755) 12.458 6.715 ( -11.515 0.000 4.755) 12.458 6.735 ( 4.649 0.000 -6.655) 8.118 6.735 ( 4.649 0.000 6.655) 8.118 6.909 ( -6.917 0.000 -0.390) 6.928 6.909 ( -6.917 0.000 0.390) 6.928 7.172 ( 4.514 0.000 -1.520) 4.763 7.172 ( 4.514 0.000 1.520) 4.763 7.258 ( -3.394 0.000 -0.526) 3.435 7.258 ( -3.394 0.000 0.526) 3.435 7.349 ( 8.829 0.000 -1.552) 8.964 7.349 ( 8.829 0.000 1.552) 8.964 7.476 ( 7.980 0.000 -2.776) 8.449 7.476 ( 7.980 0.000 2.776) 8.449 7.530 ( -7.445 0.000 -0.910) 7.501 7.530 ( -7.445 0.000 0.910) 7.501 7.636 ( -7.010 0.000 -5.276) 8.774 7.636 ( -7.010 0.000 5.276) 8.774 7.865 ( 5.433 0.000 -5.027) 7.402 7.865 ( 5.433 0.000 5.027) 7.402 7.928 ( 3.971 0.000 -5.845) 7.066 7.928 ( 3.971 0.000 5.845) 7.066 8.084 ( -4.232 0.000 -3.253) 5.338 8.084 ( -4.232 0.000 3.253) 5.338 8.123 ( -9.374 0.000 -0.879) 9.415 8.123 ( -9.374 0.000 0.879) 9.415 8.548 ( 10.651 0.000 -10.219) 14.761 8.548 ( 10.651 0.000 10.219) 14.761 8.682 ( -3.283 0.000 -7.971) 8.620 8.682 ( -3.283 0.000 7.971) 8.620 8.985 ( 9.499 0.000 -2.060) 9.720 8.985 ( 9.499 0.000 2.060) 9.720 9.054 ( 12.164 0.000 -3.264) 12.595 9.054 ( 12.164 0.000 3.264) 12.595 9.189 ( -7.145 0.000 -0.576) 7.168 9.189 ( -7.144 0.000 0.576) 7.168 9.265 ( 1.446 0.000 -0.893) 1.700 9.265 ( 1.447 0.000 0.893) 1.700 9.311 ( -2.686 0.000 -0.515) 2.735 9.311 ( -2.686 0.000 0.515) 2.735 9.392 ( 0.345 0.000 -0.262) 0.433 9.392 ( 0.345 0.000 0.262) 0.433 9.554 ( 9.074 0.000 -5.557) 10.640 9.554 ( 9.074 0.000 5.557) 10.640 9.626 ( 7.813 0.000 -3.396) 8.519 9.626 ( 7.813 0.000 3.396) 8.519 9.763 ( 9.210 0.000 -4.941) 10.452 9.763 ( 9.210 0.000 4.941) 10.452 9.876 ( 2.156 0.000 -7.295) 7.607 9.876 ( 2.156 0.000 7.295) 7.607 10.032 ( -4.284 0.000 -0.607) 4.327 10.032 ( -4.284 0.000 0.607) 4.327 10.123 ( -8.165 0.000 -1.483) 8.299 10.123 ( -8.165 0.000 1.483) 8.299 10.267 ( -4.157 0.000 -6.334) 7.577 10.267 ( -4.157 0.000 6.334) 7.577 10.389 ( -13.675 0.000 -4.910) 14.530 10.389 ( -13.675 0.000 4.910) 14.530 10.519 ( -4.526 0.000 -9.390) 10.424 10.519 ( -4.526 0.000 9.390) 10.424 10.620 ( -14.253 0.000 -4.617) 14.982 10.620 ( -14.253 0.000 4.617) 14.982 10.901 ( 3.206 0.000 -3.325) 4.619 10.901 ( 3.206 0.000 3.325) 4.619 10.935 ( 0.121 0.000 -3.901) 3.902 10.935 ( 0.121 0.000 3.901) 3.902 11.040 ( 4.852 0.000 -2.404) 5.415 11.040 ( 4.852 0.000 2.404) 5.415 11.136 ( -0.180 0.000 -0.454) 0.488 11.136 ( -0.180 0.000 0.454) 0.488 11.232 ( 1.295 0.000 -0.675) 1.460 11.232 ( 1.295 0.000 0.675) 1.460 11.292 ( -2.561 0.000 -0.866) 2.703 11.292 ( -2.560 0.000 0.866) 2.703 11.364 ( 1.777 0.000 -3.001) 3.487 11.364 ( 1.777 0.000 3.001) 3.487 11.415 ( -0.166 0.000 -2.697) 2.702 11.415 ( -0.166 0.000 2.697) 2.702 11.522 ( 6.067 0.000 -4.008) 7.271 11.522 ( 6.067 0.000 4.008) 7.271 11.604 ( 1.644 0.000 -2.295) 2.823 11.604 ( 1.644 0.000 2.295) 2.823 11.853 ( -3.574 0.000 -4.020) 5.379 11.853 ( -3.574 0.000 4.020) 5.379 11.927 ( -7.173 0.000 -0.863) 7.225 11.927 ( -7.173 0.000 0.863) 7.225 12.194 ( 1.981 0.000 -8.487) 8.716 12.194 ( 1.981 0.000 8.487) 8.716 12.249 ( -2.555 0.000 -10.041) 10.361 12.249 ( -2.555 0.000 10.041) 10.361 12.390 ( 2.981 0.000 -3.618) 4.687 12.390 ( 2.981 0.000 3.618) 4.687 12.479 ( -4.139 0.000 -2.082) 4.633 12.479 ( -4.139 0.000 2.082) 4.633 12.748 ( 1.624 0.000 -5.588) 5.819 12.748 ( 1.624 0.000 5.588) 5.819 12.840 ( -6.450 0.000 -8.920) 11.007 12.840 ( -6.450 0.000 8.920) 11.007 12.982 ( 1.133 0.000 -7.069) 7.159 12.982 ( 1.133 0.000 7.069) 7.159 13.047 ( -4.732 0.000 -6.321) 7.896 13.047 ( -4.732 0.000 6.321) 7.896 13.499 ( 5.470 0.000 -2.349) 5.953 13.499 ( 5.470 0.000 2.349) 5.953 13.562 ( 0.236 0.000 -5.243) 5.248 13.562 ( 0.236 0.000 5.243) 5.248 13.687 ( -0.354 0.000 -2.041) 2.072 13.687 ( -0.354 0.000 2.041) 2.072 13.711 ( -1.764 0.000 -1.388) 2.245 13.711 ( -1.764 0.000 1.388) 2.245 14.409 ( 5.164 0.000 -2.519) 5.746 14.409 ( 5.164 0.000 2.519) 5.746 14.470 ( 1.199 0.000 -7.726) 7.818 14.470 ( 1.199 0.000 7.726) 7.818 14.493 ( 2.726 0.000 -4.468) 5.234 14.493 ( 2.726 0.000 4.468) 5.234 14.579 ( -3.636 0.000 -11.344) 11.912 14.579 ( -3.636 0.000 11.344) 11.912 15.313 ( 3.447 0.000 -1.715) 3.850 15.313 ( 3.447 0.000 1.715) 3.850 15.382 ( -2.408 0.000 -1.577) 2.879 15.382 ( -2.408 0.000 1.577) 2.879 15.475 ( -2.319 0.000 -1.759) 2.910 15.475 ( -2.319 0.000 1.759) 2.910 15.497 ( -3.728 0.000 -1.533) 4.031 15.497 ( -3.728 0.000 1.533) 4.031 16.465 ( 3.016 0.000 -2.885) 4.173 16.465 ( 3.016 0.000 2.885) 4.173 16.505 ( 0.354 0.000 -0.987) 1.049 16.505 ( 0.354 0.000 0.987) 1.049 16.594 ( -4.886 0.000 -3.337) 5.917 16.594 ( -4.886 0.000 3.337) 5.917 16.606 ( -6.065 0.000 -1.278) 6.198 16.606 ( -6.065 0.000 1.278) 6.198 20.447 ( 7.032 0.000 -0.837) 7.082 20.447 ( 7.032 0.000 0.837) 7.082 20.481 ( 5.859 0.000 -1.752) 6.115 20.481 ( 5.859 0.000 1.752) 6.115 20.626 ( -3.914 0.000 -1.374) 4.148 20.626 ( -3.914 0.000 1.374) 4.148 20.670 ( -6.242 0.000 -0.685) 6.279 20.670 ( -6.242 0.000 0.685) 6.279 21.920 ( 0.900 0.000 -2.407) 2.570 21.920 ( 0.900 0.000 2.407) 2.570 21.959 ( -2.821 0.000 -2.369) 3.684 21.959 ( -2.821 0.000 2.369) 3.684 22.164 ( 1.131 0.000 -0.601) 1.281 22.164 ( 1.131 0.000 0.601) 1.281 22.223 ( -4.382 0.000 -0.052) 4.382 22.223 ( -4.382 0.000 0.052) 4.382 22.817 ( 5.622 0.000 -0.349) 5.633 22.817 ( 5.622 0.000 0.349) 5.633 22.895 ( -0.055 0.000 -2.385) 2.385 22.895 ( -0.055 0.000 2.385) 2.385 22.962 ( 1.539 0.000 -1.103) 1.893 22.962 ( 1.539 0.000 1.103) 1.893 23.004 ( 0.053 0.000 -1.951) 1.952 23.004 ( 0.053 0.000 1.951) 1.952 23.470 ( 9.734 0.000 -1.252) 9.814 23.470 ( 9.734 0.000 1.252) 9.814 23.566 ( 4.916 0.000 -0.982) 5.013 23.566 ( 4.916 0.000 0.982) 5.013 23.736 ( -11.091 0.000 -2.310) 11.329 23.736 ( -11.091 0.000 2.310) 11.329 23.789 ( -11.213 0.000 -1.200) 11.277 23.789 ( -11.213 0.000 1.200) 11.277 24.655 ( 0.384 0.000 -0.464) 0.602 24.655 ( 0.384 0.000 0.464) 0.602 24.675 ( -1.591 0.000 -0.293) 1.618 24.675 ( -1.591 0.000 0.293) 1.618 24.960 ( 0.800 0.000 -0.243) 0.836 24.960 ( 0.800 0.000 0.243) 0.836 24.995 ( -2.829 0.000 -2.772) 3.961 24.995 ( -2.829 0.000 2.772) 3.961 25.291 ( 4.388 0.000 -2.408) 5.005 25.291 ( 4.388 0.000 2.408) 5.005 25.320 ( 6.460 0.000 -4.544) 7.898 25.320 ( 6.460 0.000 4.544) 7.898 25.444 ( -7.994 0.000 -3.157) 8.594 25.444 ( -7.994 0.000 3.157) 8.594 25.514 ( -10.106 0.000 -6.387) 11.955 25.514 ( -10.106 0.000 6.387) 11.955 ======================= Grid point 99 (36/40) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.993 ( 0.000 7.515 -22.779) 23.987 1.993 ( 0.000 7.515 22.779) 23.987 2.077 ( 0.000 -2.062 -27.491) 27.568 2.077 ( 0.000 -2.062 27.491) 27.568 2.212 ( 0.000 -5.233 -28.608) 29.082 2.212 ( 0.000 -5.233 28.608) 29.082 2.271 ( 0.000 -10.567 -26.294) 28.338 2.271 ( 0.000 -10.567 26.294) 28.338 2.879 ( 0.000 8.959 -7.610) 11.755 2.879 ( 0.000 8.959 7.610) 11.755 2.961 ( 0.000 5.933 -4.085) 7.203 2.961 ( 0.000 5.933 4.085) 7.203 3.120 ( 0.000 -1.122 -5.831) 5.938 3.120 ( 0.000 -1.122 5.831) 5.938 3.172 ( 0.000 3.615 -12.912) 13.409 3.172 ( 0.000 3.615 12.912) 13.409 3.348 ( 0.000 4.133 -14.433) 15.013 3.348 ( 0.000 4.133 14.433) 15.013 3.541 ( 0.000 -11.155 -9.219) 14.471 3.541 ( 0.000 -11.155 9.219) 14.471 4.306 ( 0.000 1.457 -16.725) 16.788 4.306 ( 0.000 1.457 16.725) 16.788 4.359 ( 0.000 -4.378 -11.785) 12.572 4.359 ( 0.000 -4.378 11.785) 12.572 4.677 ( 0.000 6.098 -6.727) 9.079 4.677 ( 0.000 6.098 6.727) 9.079 4.743 ( 0.000 -0.865 -5.327) 5.397 4.743 ( 0.000 -0.865 5.327) 5.397 4.923 ( 0.000 -1.516 -1.738) 2.307 4.923 ( 0.000 -1.516 1.738) 2.307 4.960 ( 0.000 -5.289 -4.031) 6.650 4.960 ( 0.000 -5.289 4.031) 6.650 5.185 ( 0.000 8.884 -6.254) 10.864 5.185 ( 0.000 8.884 6.254) 10.864 5.370 ( 0.000 -8.662 -5.419) 10.218 5.370 ( 0.000 -8.662 5.419) 10.218 5.529 ( 0.000 4.829 -8.327) 9.626 5.529 ( 0.000 4.829 8.327) 9.626 5.570 ( 0.000 0.081 -7.282) 7.282 5.570 ( 0.000 0.081 7.282) 7.282 5.612 ( 0.000 0.985 -3.226) 3.373 5.612 ( 0.000 0.985 3.226) 3.373 5.687 ( 0.000 -4.169 -2.349) 4.785 5.687 ( 0.000 -4.169 2.349) 4.785 5.810 ( 0.000 -0.989 -2.166) 2.381 5.810 ( 0.000 -0.989 2.166) 2.381 5.841 ( 0.000 -4.301 -2.556) 5.003 5.841 ( 0.000 -4.301 2.556) 5.003 6.140 ( 0.000 4.737 -2.983) 5.598 6.140 ( 0.000 4.737 2.983) 5.598 6.186 ( 0.000 -0.393 -1.887) 1.927 6.186 ( 0.000 -0.393 1.887) 1.927 6.534 ( 0.000 9.491 -12.855) 15.979 6.534 ( 0.000 9.491 12.855) 15.979 6.556 ( 0.000 2.437 -11.736) 11.987 6.556 ( 0.000 2.437 11.736) 11.987 6.643 ( 0.000 2.470 -1.379) 2.829 6.643 ( 0.000 2.470 1.379) 2.829 6.728 ( 0.000 -3.389 -7.200) 7.958 6.728 ( 0.000 -3.389 7.200) 7.958 6.979 ( 0.000 3.314 -3.391) 4.742 6.979 ( 0.000 3.314 3.391) 4.742 7.094 ( 0.000 -6.769 -3.121) 7.454 7.094 ( 0.000 -6.769 3.121) 7.454 7.168 ( 0.000 3.418 -11.365) 11.867 7.168 ( 0.000 3.418 11.365) 11.867 7.195 ( 0.000 -2.840 -3.312) 4.363 7.195 ( 0.000 -2.840 3.312) 4.363 7.211 ( 0.000 -2.146 -5.278) 5.698 7.211 ( 0.000 -2.146 5.278) 5.698 7.277 ( 0.000 -4.793 -7.411) 8.826 7.277 ( 0.000 -4.793 7.411) 8.826 7.514 ( 0.000 1.089 -6.366) 6.459 7.514 ( 0.000 1.089 6.366) 6.459 7.542 ( 0.000 -1.402 -3.599) 3.862 7.542 ( 0.000 -1.402 3.599) 3.862 7.767 ( 0.000 1.436 -2.396) 2.793 7.767 ( 0.000 1.436 2.396) 2.793 7.789 ( 0.000 -0.854 -2.069) 2.238 7.789 ( 0.000 -0.854 2.069) 2.238 8.198 ( 0.000 3.891 -8.427) 9.282 8.198 ( 0.000 3.891 8.427) 9.282 8.241 ( 0.000 -1.364 -5.401) 5.570 8.241 ( 0.000 -1.364 5.401) 5.570 8.401 ( 0.000 -0.251 -6.317) 6.322 8.401 ( 0.000 -0.251 6.317) 6.322 8.406 ( 0.000 -0.168 -3.774) 3.778 8.406 ( 0.000 -0.168 3.774) 3.778 8.602 ( 0.000 8.930 -7.258) 11.508 8.602 ( 0.000 8.930 7.258) 11.508 8.791 ( 0.000 -10.433 -6.177) 12.125 8.791 ( 0.000 -10.433 6.177) 12.125 8.924 ( 0.000 -0.173 -7.116) 7.118 8.924 ( 0.000 -0.173 7.116) 7.118 8.931 ( 0.000 -0.612 -6.449) 6.478 8.931 ( 0.000 -0.612 6.449) 6.478 9.430 ( 0.000 2.512 -4.412) 5.077 9.430 ( 0.000 2.512 4.412) 5.077 9.489 ( 0.000 -3.232 -1.196) 3.446 9.489 ( 0.000 -3.232 1.196) 3.446 9.698 ( 0.000 7.977 -6.948) 10.579 9.698 ( 0.000 7.977 6.948) 10.579 9.773 ( 0.000 -1.345 -10.647) 10.732 9.773 ( 0.000 -1.345 10.647) 10.732 9.825 ( 0.000 2.604 -4.523) 5.220 9.825 ( 0.000 2.604 4.523) 5.220 9.901 ( 0.000 -3.372 -2.877) 4.433 9.901 ( 0.000 -3.372 2.877) 4.433 10.142 ( 0.000 0.478 -1.920) 1.978 10.142 ( 0.000 0.478 1.920) 1.978 10.181 ( 0.000 -4.355 -4.553) 6.300 10.181 ( 0.000 -4.355 4.553) 6.300 10.226 ( 0.000 2.018 -8.371) 8.611 10.226 ( 0.000 2.018 8.371) 8.611 10.263 ( 0.000 -1.343 -6.592) 6.728 10.263 ( 0.000 -1.343 6.592) 6.728 10.503 ( 0.000 1.009 -7.212) 7.282 10.503 ( 0.000 1.009 7.212) 7.282 10.515 ( 0.000 -0.929 -8.007) 8.060 10.515 ( 0.000 -0.929 8.007) 8.060 10.660 ( 0.000 3.432 -3.584) 4.962 10.660 ( 0.000 3.432 3.584) 4.962 10.712 ( 0.000 -1.712 -6.358) 6.584 10.712 ( 0.000 -1.712 6.358) 6.584 11.041 ( 0.000 1.476 -4.658) 4.887 11.041 ( 0.000 1.476 4.658) 4.887 11.076 ( 0.000 -2.320 -4.137) 4.743 11.076 ( 0.000 -2.320 4.137) 4.743 11.283 ( 0.000 3.200 -8.711) 9.280 11.283 ( 0.000 3.200 8.711) 9.280 11.335 ( 0.000 -1.881 -5.647) 5.952 11.335 ( 0.000 -1.881 5.647) 5.952 11.395 ( 0.000 3.758 -3.985) 5.477 11.395 ( 0.000 3.758 3.985) 5.477 11.518 ( 0.000 -10.156 -1.227) 10.230 11.518 ( 0.000 -10.156 1.227) 10.230 11.772 ( 0.000 3.651 -5.515) 6.614 11.772 ( 0.000 3.651 5.515) 6.614 11.864 ( 0.000 -5.906 -5.974) 8.401 11.864 ( 0.000 -5.906 5.974) 8.401 12.022 ( 0.000 8.891 -3.256) 9.469 12.022 ( 0.000 8.891 3.256) 9.469 12.143 ( 0.000 -4.315 -1.637) 4.615 12.143 ( 0.000 -4.315 1.637) 4.615 12.250 ( 0.000 7.714 -4.403) 8.882 12.250 ( 0.000 7.714 4.403) 8.882 12.353 ( 0.000 -3.436 -3.635) 5.001 12.353 ( 0.000 -3.436 3.635) 5.001 12.721 ( 0.000 -0.530 -0.650) 0.839 12.721 ( 0.000 -0.530 0.650) 0.839 12.752 ( 0.000 -3.590 -4.025) 5.394 12.752 ( 0.000 -3.590 4.025) 5.394 12.878 ( 0.000 1.795 -2.138) 2.792 12.878 ( 0.000 1.795 2.138) 2.792 12.884 ( 0.000 0.962 -2.791) 2.952 12.884 ( 0.000 0.962 2.791) 2.952 13.157 ( 0.000 4.858 -1.640) 5.127 13.157 ( 0.000 4.858 1.640) 5.127 13.244 ( 0.000 -4.274 -1.926) 4.688 13.244 ( 0.000 -4.274 1.926) 4.688 13.420 ( 0.000 3.880 -3.761) 5.403 13.420 ( 0.000 3.880 3.761) 5.403 13.494 ( 0.000 -2.908 -2.367) 3.749 13.494 ( 0.000 -2.908 2.367) 3.749 13.823 ( 0.000 0.156 -1.897) 1.904 13.823 ( 0.000 0.156 1.897) 1.904 13.851 ( 0.000 -3.390 -2.462) 4.190 13.851 ( 0.000 -3.390 2.462) 4.190 14.039 ( 0.000 3.434 -6.026) 6.935 14.039 ( 0.000 3.434 6.026) 6.935 14.094 ( 0.000 -2.480 -8.042) 8.415 14.094 ( 0.000 -2.480 8.042) 8.415 14.492 ( 0.000 3.990 -4.141) 5.750 14.492 ( 0.000 3.990 4.141) 5.750 14.595 ( 0.000 -7.135 -9.612) 11.971 14.595 ( 0.000 -7.135 9.612) 11.971 15.366 ( 0.000 7.112 -3.125) 7.768 15.366 ( 0.000 7.112 3.125) 7.768 15.474 ( 0.000 -4.409 -4.216) 6.101 15.474 ( 0.000 -4.409 4.216) 6.101 15.829 ( 0.000 1.137 -1.646) 2.001 15.829 ( 0.000 1.137 1.646) 2.001 15.852 ( 0.000 -1.177 -1.648) 2.025 15.852 ( 0.000 -1.177 1.648) 2.025 16.405 ( 0.000 1.188 -0.751) 1.405 16.405 ( 0.000 1.188 0.751) 1.405 16.427 ( 0.000 -1.099 -0.419) 1.176 16.427 ( 0.000 -1.099 0.419) 1.176 17.100 ( 0.000 1.999 -4.967) 5.354 17.100 ( 0.000 1.999 4.967) 5.354 17.142 ( 0.000 -2.422 -3.939) 4.624 17.142 ( 0.000 -2.422 3.939) 4.624 19.834 ( 0.000 0.084 -0.410) 0.418 19.834 ( 0.000 0.084 0.410) 0.418 19.836 ( 0.000 -0.111 -0.440) 0.453 19.836 ( 0.000 -0.111 0.440) 0.453 20.836 ( 0.000 4.907 -3.998) 6.330 20.836 ( 0.000 4.907 3.998) 6.330 20.961 ( 0.000 -8.531 -0.955) 8.584 20.961 ( 0.000 -8.531 0.955) 8.584 21.995 ( 0.000 8.090 -1.888) 8.307 21.995 ( 0.000 8.090 1.888) 8.307 22.098 ( 0.000 -3.476 -4.551) 5.726 22.098 ( 0.000 -3.476 4.551) 5.726 22.225 ( 0.000 1.365 -1.495) 2.024 22.225 ( 0.000 1.365 1.495) 2.024 22.249 ( 0.000 -1.152 -0.655) 1.326 22.249 ( 0.000 -1.152 0.655) 1.326 22.558 ( 0.000 4.203 -1.483) 4.457 22.558 ( 0.000 4.203 1.483) 4.457 22.597 ( 0.000 -0.779 -1.331) 1.542 22.597 ( 0.000 -0.779 1.331) 1.542 22.725 ( 0.000 7.408 -2.237) 7.738 22.725 ( 0.000 7.408 2.237) 7.738 22.937 ( 0.000 -13.442 -6.335) 14.860 22.937 ( 0.000 -13.442 6.335) 14.860 23.625 ( 0.000 6.451 -8.046) 10.313 23.625 ( 0.000 6.451 8.046) 10.313 23.723 ( 0.000 -4.003 -7.244) 8.276 23.723 ( 0.000 -4.003 7.244) 8.276 24.217 ( 0.000 0.548 -2.226) 2.292 24.217 ( 0.000 0.548 2.226) 2.292 24.229 ( 0.000 -0.648 -1.739) 1.856 24.229 ( 0.000 -0.648 1.739) 1.856 24.671 ( 0.000 1.248 -0.752) 1.458 24.671 ( 0.000 1.248 0.752) 1.458 24.707 ( 0.000 -2.854 -1.683) 3.313 24.707 ( 0.000 -2.854 1.683) 3.313 24.978 ( 0.000 8.799 -5.801) 10.539 24.978 ( 0.000 8.799 5.801) 10.539 25.139 ( 0.000 -8.306 -5.867) 10.169 25.139 ( 0.000 -8.306 5.867) 10.169 25.672 ( 0.000 1.329 -1.806) 2.243 25.672 ( 0.000 1.329 1.806) 2.243 25.693 ( 0.000 -0.833 -1.273) 1.522 25.693 ( 0.000 -0.833 1.273) 1.522 26.174 ( 0.000 6.721 -6.626) 9.438 26.174 ( 0.000 6.721 6.626) 9.438 26.300 ( 0.000 -6.343 -5.459) 8.368 26.300 ( 0.000 -6.343 5.459) 8.368 ======================= Grid point 101 (37/40) ======================= q-point: ( 0.11 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.959 ( -3.972 4.353 -21.903) 22.682 1.959 ( -3.972 4.353 21.903) 22.682 2.097 ( 5.871 -10.063 -24.856) 27.451 2.097 ( 5.871 -10.063 24.856) 27.451 2.357 ( 16.625 7.509 -25.897) 31.677 2.357 ( 16.625 7.509 25.897) 31.677 2.537 ( 16.834 -11.052 -18.398) 27.277 2.537 ( 16.834 -11.052 18.398) 27.277 2.945 ( 6.134 9.416 -1.867) 11.392 2.945 ( 6.134 9.416 1.867) 11.392 3.086 ( 9.351 0.709 -1.330) 9.472 3.086 ( 9.351 0.709 1.330) 9.472 3.273 ( 12.809 4.061 -5.904) 14.677 3.273 ( 12.809 4.061 5.904) 14.677 3.332 ( 13.201 7.933 -12.005) 19.527 3.332 ( 13.201 7.933 12.005) 19.527 3.413 ( 9.239 0.287 -5.893) 10.962 3.413 ( 9.239 0.287 5.893) 10.962 3.642 ( 10.545 -14.762 -7.086) 19.476 3.642 ( 10.545 -14.762 7.086) 19.476 4.272 ( 0.584 3.858 -6.224) 7.346 4.272 ( 0.584 3.858 6.224) 7.346 4.344 ( -0.385 -3.399 -5.725) 6.669 4.344 ( -0.385 -3.399 5.725) 6.669 4.731 ( -2.857 3.781 -3.797) 6.073 4.731 ( -2.857 3.781 3.797) 6.073 4.819 ( -0.544 -4.981 -3.698) 6.227 4.819 ( -0.544 -4.981 3.698) 6.227 4.936 ( 8.477 1.482 -6.416) 10.735 4.936 ( 8.477 1.482 6.416) 10.735 5.005 ( 3.826 -4.529 -4.697) 7.564 5.005 ( 3.826 -4.529 4.697) 7.564 5.209 ( 0.767 7.017 -5.766) 9.115 5.209 ( 0.767 7.017 5.766) 9.115 5.305 ( -7.818 -3.169 -7.119) 11.038 5.305 ( -7.818 -3.169 7.119) 11.038 5.452 ( -2.482 3.263 -4.618) 6.175 5.452 ( -2.482 3.263 4.618) 6.175 5.510 ( -5.935 -1.604 -5.687) 8.375 5.510 ( -5.935 -1.604 5.687) 8.375 5.604 ( -3.592 3.826 -1.748) 5.532 5.604 ( -3.592 3.826 1.748) 5.532 5.678 ( -0.143 -1.855 -2.588) 3.187 5.678 ( -0.143 -1.855 2.588) 3.187 5.789 ( 1.072 -0.659 -5.443) 5.587 5.789 ( 1.072 -0.659 5.443) 5.587 5.857 ( 3.460 -7.651 -3.398) 9.058 5.857 ( 3.460 -7.651 3.398) 9.058 6.107 ( -1.861 6.549 -2.252) 7.172 6.107 ( -1.861 6.549 2.252) 7.172 6.221 ( 2.089 -4.671 -2.666) 5.770 6.221 ( 2.089 -4.671 2.666) 5.770 6.515 ( 0.254 5.978 -3.532) 6.948 6.515 ( 0.254 5.978 3.532) 6.948 6.561 ( -0.806 0.866 -4.655) 4.803 6.561 ( -0.806 0.866 4.655) 4.803 6.671 ( -2.247 2.105 -3.191) 4.434 6.671 ( -2.247 2.105 3.191) 4.434 6.712 ( 1.411 -1.059 -2.237) 2.849 6.712 ( 1.411 -1.059 2.237) 2.849 6.924 ( -3.719 5.210 -2.825) 6.996 6.924 ( -3.719 5.210 2.825) 6.996 7.036 ( -5.220 -3.556 -0.041) 6.316 7.036 ( -5.220 -3.556 0.041) 6.316 7.098 ( -4.981 0.840 -4.051) 6.475 7.098 ( -4.981 0.840 4.051) 6.475 7.158 ( -2.045 -3.525 -1.341) 4.290 7.158 ( -2.045 -3.525 1.341) 4.290 7.268 ( 2.251 2.905 -2.703) 4.562 7.268 ( 2.251 2.905 2.703) 4.562 7.368 ( 8.283 -6.785 -0.975) 10.751 7.368 ( 8.283 -6.785 0.975) 10.751 7.483 ( -3.220 3.091 -5.161) 6.823 7.483 ( -3.220 3.091 5.161) 6.823 7.572 ( 1.977 -5.001 -4.103) 6.764 7.572 ( 1.977 -5.001 4.103) 6.764 7.719 ( -0.842 4.012 -2.063) 4.589 7.719 ( -0.842 4.012 2.063) 4.589 7.779 ( 0.766 -2.457 -2.008) 3.264 7.779 ( 0.766 -2.457 2.008) 3.264 8.204 ( -2.508 3.143 -4.222) 5.831 8.204 ( -2.508 3.143 4.222) 5.831 8.229 ( 1.727 0.564 -6.381) 6.635 8.229 ( 1.727 0.564 6.381) 6.635 8.373 ( -2.311 2.430 -3.034) 4.523 8.373 ( -2.311 2.430 3.034) 4.523 8.445 ( 1.998 -4.408 -2.846) 5.615 8.445 ( 1.998 -4.408 2.846) 5.615 8.645 ( 4.536 5.995 -4.592) 8.809 8.645 ( 4.536 5.995 4.592) 8.809 8.767 ( 0.332 -7.583 -4.659) 8.906 8.767 ( 0.332 -7.583 4.659) 8.906 9.025 ( 4.564 1.882 -5.747) 7.576 9.025 ( 4.564 1.882 5.747) 7.576 9.078 ( 7.593 -3.149 -5.466) 9.871 9.078 ( 7.593 -3.149 5.466) 9.871 9.359 ( -2.436 2.552 -5.181) 6.268 9.359 ( -2.436 2.552 5.181) 6.268 9.409 ( -4.093 -2.164 -3.725) 5.942 9.409 ( -4.093 -2.164 3.725) 5.942 9.655 ( -2.968 7.016 -6.328) 9.904 9.655 ( -2.968 7.016 6.328) 9.904 9.739 ( -3.211 -2.021 -8.698) 9.489 9.739 ( -3.211 -2.021 8.698) 9.489 9.850 ( 0.113 2.172 -3.873) 4.442 9.850 ( 0.113 2.172 3.873) 4.442 9.907 ( -1.847 -3.258 -3.453) 5.094 9.907 ( -1.847 -3.258 3.453) 5.094 10.045 ( -3.819 4.393 -5.897) 8.286 10.045 ( -3.819 4.393 5.897) 8.286 10.147 ( -1.315 -6.859 -5.956) 9.178 10.147 ( -1.315 -6.859 5.956) 9.178 10.304 ( 5.349 2.604 -4.263) 7.319 10.304 ( 5.349 2.604 4.263) 7.319 10.366 ( 6.760 -4.167 -2.447) 8.309 10.366 ( 6.760 -4.167 2.447) 8.309 10.532 ( 2.634 2.914 -0.056) 3.929 10.532 ( 2.634 2.914 0.056) 3.929 10.558 ( 1.759 0.972 -3.595) 4.118 10.558 ( 1.759 0.972 3.595) 4.118 10.678 ( 2.095 1.077 -3.419) 4.152 10.678 ( 2.095 1.077 3.419) 4.152 10.700 ( 2.242 -0.763 -5.712) 6.183 10.700 ( 2.242 -0.763 5.712) 6.183 11.035 ( -0.310 1.912 -3.968) 4.416 11.035 ( -0.310 1.912 3.968) 4.416 11.085 ( 0.355 -3.541 -2.980) 4.642 11.085 ( 0.355 -3.541 2.980) 4.642 11.238 ( -1.946 3.492 -3.097) 5.057 11.238 ( -1.946 3.492 3.097) 5.057 11.301 ( -1.440 -3.013 -1.535) 3.675 11.301 ( -1.440 -3.013 1.535) 3.675 11.448 ( 2.792 4.011 -0.753) 4.944 11.448 ( 2.792 4.011 0.753) 4.944 11.555 ( 1.976 -7.556 -1.361) 7.927 11.555 ( 1.976 -7.556 1.361) 7.927 11.764 ( -1.098 4.527 -3.441) 5.792 11.764 ( -1.098 4.527 3.441) 5.792 11.892 ( -1.192 -8.294 -5.049) 9.783 11.892 ( -1.192 -8.294 5.049) 9.783 12.038 ( 1.190 8.064 -1.689) 8.324 12.038 ( 1.190 8.064 1.689) 8.324 12.154 ( 0.062 -4.545 -1.597) 4.818 12.154 ( 0.062 -4.545 1.597) 4.818 12.281 ( 1.449 9.142 -2.887) 9.696 12.281 ( 1.449 9.142 2.887) 9.696 12.432 ( 4.624 -6.726 -3.417) 8.849 12.432 ( 4.624 -6.726 3.417) 8.849 12.703 ( -2.618 1.624 -0.389) 3.106 12.703 ( -2.618 1.624 0.389) 3.106 12.737 ( -1.532 -1.560 -1.293) 2.541 12.737 ( -1.532 -1.560 1.293) 2.541 12.797 ( -5.105 2.237 -2.260) 6.014 12.797 ( -5.105 2.237 2.260) 6.014 12.822 ( -2.973 -0.442 -3.508) 4.619 12.822 ( -2.973 -0.442 3.508) 4.619 13.111 ( -3.627 4.918 -1.432) 6.276 13.111 ( -3.627 4.918 1.432) 6.276 13.213 ( -2.510 -5.852 -1.393) 6.518 13.213 ( -2.510 -5.852 1.393) 6.518 13.409 ( -1.088 5.085 -4.423) 6.827 13.409 ( -1.088 5.085 4.423) 6.827 13.489 ( -0.616 -3.111 -3.297) 4.575 13.489 ( -0.616 -3.111 3.297) 4.575 13.766 ( -2.201 2.932 -2.001) 4.177 13.766 ( -2.201 2.932 2.001) 4.177 13.855 ( -1.150 -6.994 -3.725) 8.007 13.855 ( -1.150 -6.994 3.725) 8.007 14.093 ( 3.390 4.428 -5.215) 7.636 14.093 ( 3.390 4.428 5.215) 7.636 14.155 ( 4.665 -2.722 -6.645) 8.564 14.155 ( 4.665 -2.722 6.645) 8.564 14.446 ( -2.139 6.591 -5.740) 8.998 14.446 ( -2.139 6.591 5.740) 8.998 14.590 ( -0.616 -8.725 -11.635) 14.556 14.590 ( -0.616 -8.725 11.635) 14.556 15.347 ( -1.555 6.766 -2.291) 7.310 15.347 ( -1.555 6.766 2.291) 7.310 15.457 ( -1.515 -4.893 -3.173) 6.026 15.457 ( -1.515 -4.893 3.173) 6.026 15.795 ( -3.174 1.448 -1.400) 3.759 15.795 ( -3.174 1.448 1.400) 3.759 15.820 ( -3.125 -1.133 -1.421) 3.615 15.820 ( -3.125 -1.133 1.421) 3.615 16.424 ( 1.370 1.477 -1.342) 2.421 16.424 ( 1.370 1.477 1.342) 2.421 16.452 ( 1.896 -1.360 -1.373) 2.707 16.452 ( 1.896 -1.360 1.373) 2.707 17.050 ( -4.643 1.974 -4.846) 6.995 17.050 ( -4.643 1.974 4.846) 6.995 17.092 ( -4.780 -2.318 -3.780) 6.520 17.092 ( -4.780 -2.318 3.780) 6.520 19.910 ( 6.892 0.608 -0.154) 6.920 19.910 ( 6.892 0.608 0.154) 6.920 19.922 ( 7.542 -0.668 -0.568) 7.593 19.922 ( 7.542 -0.668 0.568) 7.593 20.826 ( -0.927 4.387 -3.811) 5.884 20.826 ( -0.927 4.387 3.811) 5.884 20.936 ( -2.288 -7.295 -1.163) 7.734 20.936 ( -2.288 -7.295 1.163) 7.734 22.006 ( 0.527 7.892 -0.776) 7.947 22.006 ( 0.527 7.892 0.776) 7.947 22.114 ( 0.266 -4.094 -3.299) 5.264 22.114 ( 0.266 -4.094 3.299) 5.264 22.228 ( 0.706 2.314 -1.836) 3.037 22.228 ( 0.706 2.314 1.836) 3.037 22.272 ( 2.417 -2.422 -1.004) 3.566 22.272 ( 2.417 -2.422 1.004) 3.566 22.575 ( 1.526 5.930 -1.922) 6.418 22.575 ( 1.526 5.930 1.922) 6.418 22.633 ( 3.476 -1.123 -2.060) 4.193 22.633 ( 3.476 -1.123 2.060) 4.193 22.720 ( 0.195 4.944 -1.060) 5.060 22.720 ( 0.195 4.944 1.060) 5.060 22.895 ( -3.545 -12.289 -5.613) 13.968 22.895 ( -3.545 -12.289 5.613) 13.968 23.580 ( -3.987 7.097 -7.035) 10.759 23.580 ( -3.987 7.097 7.035) 10.759 23.689 ( -3.194 -4.600 -6.705) 8.737 23.689 ( -3.194 -4.600 6.705) 8.737 24.203 ( -1.553 0.222 -2.044) 2.577 24.203 ( -1.553 0.222 2.044) 2.577 24.208 ( -1.956 -0.308 -2.075) 2.869 24.208 ( -1.956 -0.308 2.075) 2.869 24.680 ( 0.720 1.302 -1.224) 1.926 24.680 ( 0.720 1.302 1.224) 1.926 24.715 ( 0.625 -2.597 -1.594) 3.111 24.715 ( 0.625 -2.597 1.594) 3.111 24.972 ( -0.467 8.059 -5.245) 9.627 24.972 ( -0.467 8.059 5.245) 9.627 25.124 ( -1.365 -8.084 -5.794) 10.039 25.124 ( -1.365 -8.084 5.794) 10.039 25.574 ( -8.881 2.229 -2.024) 9.378 25.574 ( -8.881 2.229 2.024) 9.378 25.607 ( -7.800 -1.349 -1.313) 8.024 25.607 ( -7.800 -1.349 1.313) 8.024 26.090 ( -7.468 5.532 -6.694) 11.454 26.090 ( -7.468 5.532 6.694) 11.454 26.194 ( -9.249 -5.226 -6.956) 12.698 26.194 ( -9.249 -5.226 6.956) 12.698 ======================= Grid point 103 (38/40) ======================= q-point: ( 0.22 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( 6.745 11.845 -19.595) 23.870 1.984 ( 6.745 11.845 19.595) 23.870 2.246 ( 9.163 -15.806 -27.463) 32.985 2.246 ( 9.163 -15.806 27.463) 32.985 2.757 ( 18.857 4.864 -14.418) 24.231 2.757 ( 18.857 4.864 14.418) 24.231 2.866 ( 14.411 -6.583 -10.921) 19.243 2.866 ( 14.411 -6.583 10.921) 19.243 3.084 ( 6.366 10.249 -3.538) 12.574 3.084 ( 6.366 10.249 3.538) 12.574 3.264 ( 6.987 -6.592 -1.423) 9.711 3.264 ( 6.987 -6.592 1.423) 9.711 3.600 ( 16.516 4.961 -4.754) 17.888 3.600 ( 16.516 4.961 4.754) 17.888 3.662 ( 16.245 9.242 -8.267) 20.437 3.662 ( 16.245 9.242 8.267) 20.437 3.698 ( 15.234 -1.845 -0.876) 15.370 3.698 ( 15.234 -1.845 0.876) 15.370 3.945 ( 14.382 -15.645 -2.827) 21.439 3.945 ( 14.382 -15.645 2.827) 21.439 4.326 ( 3.333 8.956 -0.641) 9.578 4.326 ( 3.333 8.956 0.641) 9.578 4.426 ( 7.632 0.870 -4.780) 9.047 4.426 ( 7.632 0.870 4.780) 9.047 4.651 ( -0.213 -1.203 -0.519) 1.328 4.651 ( -0.213 -1.203 0.519) 1.328 4.708 ( -3.931 -6.520 -4.019) 8.609 4.708 ( -3.931 -6.520 4.019) 8.609 4.935 ( -9.865 4.675 -3.242) 11.388 4.935 ( -9.865 4.675 3.242) 11.388 5.020 ( -8.041 -4.942 -3.801) 10.176 5.020 ( -8.041 -4.942 3.801) 10.176 5.154 ( -4.701 1.485 -0.495) 4.954 5.154 ( -4.701 1.485 0.495) 4.954 5.197 ( -2.905 -2.724 -2.249) 4.574 5.197 ( -2.905 -2.724 2.249) 4.574 5.337 ( -5.515 8.790 -5.451) 11.721 5.337 ( -5.515 8.790 5.451) 11.721 5.495 ( -3.547 -7.035 -5.958) 9.878 5.495 ( -3.547 -7.035 5.958) 9.878 5.548 ( 5.329 7.609 -5.737) 10.919 5.548 ( 5.329 7.609 5.737) 10.919 5.693 ( 4.423 -6.484 -7.398) 10.786 5.693 ( 4.423 -6.484 7.398) 10.786 5.873 ( 6.394 7.059 -1.762) 9.686 5.873 ( 6.394 7.059 1.762) 9.686 5.997 ( 5.814 -5.970 -2.759) 8.778 5.997 ( 5.814 -5.970 2.759) 8.778 6.099 ( 0.940 7.535 -2.222) 7.912 6.099 ( 0.940 7.535 2.222) 7.912 6.260 ( 1.589 -9.134 -1.072) 9.333 6.260 ( 1.589 -9.134 1.072) 9.333 6.510 ( -4.943 1.877 -1.047) 5.390 6.510 ( -4.943 1.877 1.047) 5.390 6.554 ( 1.510 -0.689 -2.847) 3.295 6.554 ( 1.510 -0.689 2.847) 3.295 6.603 ( 0.747 3.652 -1.287) 3.944 6.603 ( 0.747 3.652 1.287) 3.944 6.671 ( -5.842 -5.404 -1.662) 8.130 6.671 ( -5.842 -5.404 1.662) 8.130 6.867 ( -1.825 2.573 -4.219) 5.268 6.867 ( -1.825 2.573 4.219) 5.268 6.941 ( -2.955 -3.854 -4.625) 6.707 6.941 ( -2.955 -3.854 4.625) 6.707 7.039 ( 2.373 7.492 -5.681) 9.697 7.039 ( 2.373 7.492 5.681) 9.697 7.166 ( 2.042 -2.530 -4.923) 5.900 7.166 ( 2.042 -2.530 4.923) 5.900 7.317 ( 2.044 7.217 -3.152) 8.136 7.317 ( 2.044 7.217 3.152) 8.136 7.407 ( -3.185 0.066 -3.675) 4.864 7.407 ( -3.185 0.066 3.675) 4.864 7.525 ( 4.760 -3.092 -2.101) 6.052 7.525 ( 4.760 -3.092 2.101) 6.052 7.591 ( -0.102 -7.719 -5.819) 9.667 7.591 ( -0.102 -7.719 5.819) 9.667 7.774 ( 5.403 3.784 -5.797) 8.781 7.774 ( 5.403 3.784 5.797) 8.781 7.851 ( 5.833 -3.237 -3.732) 7.644 7.851 ( 5.833 -3.237 3.732) 7.644 8.146 ( -2.304 11.198 -5.087) 12.513 8.146 ( -2.304 11.198 5.087) 12.513 8.258 ( 0.980 -1.028 -2.179) 2.601 8.258 ( 0.980 -1.028 2.179) 2.601 8.367 ( 2.679 1.398 -2.345) 3.825 8.367 ( 2.679 1.398 2.345) 3.825 8.494 ( 3.771 -11.266 -2.829) 12.213 8.494 ( 3.771 -11.266 2.829) 12.213 8.752 ( 3.261 1.515 -7.415) 8.240 8.752 ( 3.261 1.515 7.415) 8.240 8.790 ( 0.107 -2.476 -6.766) 7.206 8.790 ( 0.107 -2.476 6.766) 7.206 8.956 ( -4.812 4.287 -7.428) 9.834 8.956 ( -4.812 4.287 7.428) 9.834 9.063 ( -3.605 -6.373 -6.222) 9.608 9.063 ( -3.605 -6.373 6.222) 9.608 9.396 ( 0.634 9.004 -4.161) 9.939 9.396 ( 0.634 9.004 4.161) 9.939 9.505 ( 7.487 -2.258 -5.413) 9.511 9.505 ( 7.487 -2.258 5.413) 9.511 9.639 ( 0.350 1.997 -7.621) 7.886 9.639 ( 0.350 1.997 7.621) 7.886 9.693 ( 2.382 -2.510 -8.067) 8.777 9.693 ( 2.382 -2.510 8.067) 8.777 9.771 ( -6.455 0.129 -3.142) 7.180 9.771 ( -6.455 0.129 3.142) 7.180 9.785 ( -6.970 -0.961 -1.853) 7.275 9.785 ( -6.970 -0.961 1.853) 7.275 10.017 ( -1.199 5.815 -8.076) 10.023 10.017 ( -1.199 5.815 8.076) 10.023 10.146 ( 0.043 -7.942 -6.199) 10.075 10.146 ( 0.043 -7.942 6.199) 10.075 10.400 ( 2.838 5.305 -4.511) 7.520 10.400 ( 2.838 5.305 4.511) 7.520 10.471 ( 1.561 -1.871 -3.385) 4.171 10.471 ( 1.561 -1.871 3.385) 4.171 10.603 ( 5.055 0.468 -2.826) 5.810 10.603 ( 5.055 0.468 2.826) 5.810 10.627 ( 7.483 -1.980 -3.146) 8.355 10.627 ( 7.483 -1.980 3.146) 8.355 10.769 ( 6.941 3.637 -2.465) 8.215 10.769 ( 6.941 3.637 2.465) 8.215 10.824 ( 6.591 -2.599 -3.619) 7.956 10.824 ( 6.591 -2.599 3.619) 7.956 11.048 ( 1.891 1.744 -2.115) 3.330 11.048 ( 1.891 1.744 2.115) 3.330 11.089 ( 0.937 -2.017 -1.674) 2.784 11.089 ( 0.937 -2.017 1.674) 2.784 11.238 ( 0.741 2.459 -2.106) 3.321 11.238 ( 0.741 2.459 2.106) 3.321 11.291 ( 0.486 -2.314 -1.136) 2.623 11.291 ( 0.486 -2.314 1.136) 2.623 11.476 ( -0.820 2.555 -0.953) 2.848 11.476 ( -0.820 2.555 0.953) 2.848 11.547 ( -3.463 -4.279 -1.882) 5.817 11.547 ( -3.463 -4.279 1.882) 5.817 11.689 ( -6.944 2.524 -1.097) 7.469 11.689 ( -6.944 2.524 1.097) 7.469 11.753 ( -12.745 -3.559 -0.841) 13.259 11.753 ( -12.745 -3.559 0.841) 13.259 12.032 ( -1.952 3.641 -1.839) 4.522 12.032 ( -1.952 3.641 1.839) 4.522 12.118 ( -3.515 -4.230 -2.494) 6.039 12.118 ( -3.515 -4.230 2.494) 6.039 12.237 ( -4.669 6.967 -1.532) 8.526 12.237 ( -4.669 6.967 1.532) 8.526 12.376 ( -5.650 -6.631 -2.444) 9.047 12.376 ( -5.650 -6.631 2.444) 9.047 12.591 ( -7.604 3.302 -4.676) 9.518 12.591 ( -7.604 3.302 4.676) 9.518 12.641 ( -5.554 -1.973 -3.462) 6.836 12.641 ( -5.554 -1.973 3.462) 6.836 12.827 ( 1.137 2.236 -3.435) 4.254 12.827 ( 1.137 2.236 3.435) 4.254 12.872 ( 6.307 -1.368 -1.513) 6.629 12.872 ( 6.307 -1.368 1.513) 6.629 13.062 ( 0.068 5.613 -3.330) 6.527 13.062 ( 0.068 5.613 3.330) 6.527 13.160 ( -2.282 -3.979 -6.420) 7.891 13.160 ( -2.282 -3.979 6.420) 7.891 13.392 ( -0.040 2.000 -4.550) 4.970 13.392 ( -0.040 2.000 4.550) 4.970 13.448 ( -2.811 -3.688 -5.748) 7.385 13.448 ( -2.811 -3.688 5.748) 7.385 13.754 ( 0.233 2.341 -1.824) 2.977 13.754 ( 0.233 2.341 1.824) 2.977 13.800 ( -3.374 -2.534 -2.652) 4.984 13.800 ( -3.374 -2.534 2.652) 4.984 14.175 ( 5.160 4.405 -6.669) 9.514 14.175 ( 5.160 4.405 6.669) 9.514 14.248 ( 4.388 -3.355 -7.760) 9.525 14.248 ( 4.388 -3.355 7.760) 9.525 14.452 ( 2.139 5.822 -5.477) 8.274 14.452 ( 2.139 5.822 5.477) 8.274 14.582 ( 0.000 -7.872 -11.859) 14.234 14.582 ( 0.000 -7.872 11.859) 14.234 15.315 ( -1.331 5.799 -1.390) 6.110 15.315 ( -1.331 5.799 1.390) 6.110 15.418 ( -2.071 -5.138 -1.629) 5.775 15.418 ( -2.071 -5.138 1.629) 5.775 15.704 ( -5.387 1.502 -1.115) 5.703 15.704 ( -5.387 1.502 1.115) 5.703 15.726 ( -5.682 -0.829 -1.265) 5.880 15.726 ( -5.682 -0.829 1.265) 5.880 16.444 ( 0.386 2.080 -2.024) 2.928 16.444 ( 0.386 2.080 2.024) 2.928 16.483 ( 0.760 -1.927 -2.423) 3.188 16.483 ( 0.760 -1.927 2.423) 3.188 16.917 ( -7.829 1.761 -4.557) 9.228 16.917 ( -7.829 1.761 4.557) 9.228 16.953 ( -8.286 -1.921 -3.527) 9.207 16.953 ( -8.286 -1.921 3.527) 9.207 20.089 ( 9.627 1.124 -1.657) 9.833 20.089 ( 9.627 1.124 1.657) 9.833 20.111 ( 9.844 -1.155 -2.783) 10.295 20.111 ( 9.844 -1.155 2.783) 10.295 20.794 ( -2.246 3.183 -3.227) 5.059 20.794 ( -2.246 3.183 3.227) 5.059 20.870 ( -3.952 -4.803 -1.330) 6.360 20.870 ( -3.952 -4.803 1.330) 6.360 21.998 ( -1.286 6.220 -0.915) 6.417 21.998 ( -1.286 6.220 0.915) 6.417 22.084 ( -2.711 -3.015 -2.416) 4.720 22.084 ( -2.711 -3.015 2.416) 4.720 22.241 ( -0.578 3.423 -1.266) 3.695 22.241 ( -0.578 3.423 1.266) 3.695 22.316 ( 0.476 -4.147 -1.390) 4.400 22.316 ( 0.476 -4.147 1.390) 4.400 22.624 ( 3.437 5.716 -3.470) 7.518 22.624 ( 3.437 5.716 3.470) 7.518 22.724 ( 4.101 -3.466 -1.631) 5.612 22.724 ( 4.101 -3.466 1.631) 5.612 22.777 ( 5.697 1.300 -0.621) 5.876 22.777 ( 5.697 1.300 0.621) 5.876 22.837 ( 0.137 -6.305 -3.388) 7.159 22.837 ( 0.137 -6.305 3.388) 7.159 23.482 ( -4.830 7.233 -4.774) 9.921 23.482 ( -4.830 7.233 4.774) 9.921 23.599 ( -5.091 -5.107 -5.075) 8.818 23.599 ( -5.091 -5.107 5.075) 8.818 24.134 ( -5.201 0.682 -2.333) 5.741 24.134 ( -5.201 0.682 2.333) 5.741 24.147 ( -4.524 -0.684 -1.246) 4.742 24.147 ( -4.524 -0.684 1.246) 4.742 24.688 ( -0.206 1.529 -2.188) 2.677 24.688 ( -0.206 1.529 2.188) 2.677 24.722 ( -0.243 -2.049 -1.730) 2.693 24.722 ( -0.243 -2.049 1.730) 2.693 24.966 ( 0.117 5.858 -3.631) 6.893 24.966 ( 0.117 5.858 3.631) 6.893 25.089 ( -1.855 -7.303 -5.293) 9.208 25.089 ( -1.855 -7.303 5.293) 9.208 25.360 ( -9.875 3.627 -3.527) 11.095 25.360 ( -9.875 3.627 3.527) 11.095 25.410 ( -9.671 -2.005 -2.128) 10.103 25.410 ( -9.671 -2.005 2.128) 10.103 25.896 ( -10.566 3.771 -6.178) 12.807 25.896 ( -10.566 3.771 6.178) 12.807 25.967 ( -11.843 -3.465 -8.188) 14.809 25.967 ( -11.843 -3.465 8.188) 14.809 ======================= Grid point 105 (39/40) ======================= q-point: ( 0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.222 ( 15.487 13.089 -14.898) 25.162 2.222 ( 15.487 13.089 14.898) 25.162 2.484 ( 13.599 -14.164 -21.510) 29.124 2.484 ( 13.599 -14.164 21.510) 29.124 3.082 ( 9.642 4.236 -3.793) 11.194 3.082 ( 9.642 4.235 3.793) 11.194 3.151 ( 12.112 -1.902 -3.669) 12.797 3.151 ( 12.112 -1.902 3.669) 12.797 3.206 ( 6.703 4.310 -9.559) 12.445 3.206 ( 6.703 4.310 9.559) 12.445 3.340 ( 0.948 -10.061 -7.232) 12.427 3.340 ( 0.948 -10.061 7.232) 12.427 3.737 ( -2.612 6.343 -3.976) 7.929 3.737 ( -2.612 6.343 3.976) 7.929 3.782 ( -4.469 2.104 -2.581) 5.573 3.782 ( -4.469 2.104 2.581) 5.573 4.028 ( 12.107 -1.517 -4.039) 12.853 4.028 ( 12.107 -1.517 4.039) 12.853 4.113 ( 2.402 -8.860 -1.747) 9.345 4.113 ( 2.402 -8.860 1.748) 9.345 4.420 ( 1.842 7.877 -0.992) 8.150 4.420 ( 1.842 7.877 0.992) 8.150 4.544 ( -3.025 -2.063 -3.321) 4.943 4.544 ( -3.025 -2.063 3.321) 4.943 4.579 ( -1.432 5.630 -5.067) 7.709 4.579 ( -1.432 5.630 5.067) 7.709 4.732 ( -3.069 -5.274 -5.877) 8.472 4.732 ( -3.069 -5.274 5.877) 8.472 4.896 ( 8.369 3.698 -2.302) 9.435 4.896 ( 8.369 3.698 2.302) 9.435 5.010 ( 10.566 -6.103 -3.796) 12.779 5.010 ( 10.566 -6.103 3.796) 12.779 5.052 ( 2.181 4.397 -3.851) 6.238 5.052 ( 2.181 4.397 3.851) 6.238 5.145 ( 5.281 -3.511 -3.178) 7.093 5.145 ( 5.281 -3.511 3.178) 7.093 5.277 ( -2.479 4.450 -4.087) 6.531 5.277 ( -2.479 4.450 4.087) 6.531 5.356 ( -5.491 -1.959 -7.451) 9.461 5.356 ( -5.491 -1.959 7.451) 9.461 5.705 ( 2.020 4.890 -4.447) 6.912 5.705 ( 2.020 4.890 4.447) 6.912 5.784 ( 4.380 -1.349 -5.747) 7.350 5.784 ( 4.380 -1.349 5.747) 7.350 5.966 ( 0.252 -0.149 -5.046) 5.054 5.966 ( 0.252 -0.149 5.046) 5.054 6.052 ( -0.739 -0.376 -2.459) 2.595 6.052 ( -0.739 -0.376 2.459) 2.595 6.132 ( 2.783 0.136 -0.436) 2.820 6.132 ( 2.783 0.136 0.436) 2.820 6.267 ( 1.171 -7.032 -7.985) 10.704 6.267 ( 1.171 -7.032 7.985) 10.704 6.442 ( 1.528 4.873 -3.260) 6.059 6.442 ( 1.528 4.873 3.260) 6.059 6.526 ( -7.130 2.673 -3.549) 8.401 6.526 ( -7.130 2.673 3.549) 8.401 6.595 ( -0.061 -1.742 -3.663) 4.056 6.595 ( -0.061 -1.742 3.663) 4.056 6.649 ( 2.251 -3.462 -3.219) 5.236 6.649 ( 2.251 -3.462 3.219) 5.236 6.879 ( 1.767 1.687 -3.522) 4.286 6.879 ( 1.767 1.687 3.522) 4.286 6.928 ( 0.435 -3.083 -5.352) 6.191 6.928 ( 0.435 -3.083 5.352) 6.191 7.125 ( 4.224 4.615 -2.513) 6.742 7.125 ( 4.224 4.615 2.513) 6.742 7.207 ( 1.566 -3.720 -1.616) 4.348 7.207 ( 1.566 -3.720 1.616) 4.348 7.347 ( -0.659 3.735 -3.033) 4.856 7.347 ( -0.659 3.735 3.033) 4.856 7.364 ( 2.643 3.958 -0.751) 4.819 7.364 ( 2.643 3.958 0.751) 4.819 7.548 ( -2.007 -4.481 -3.371) 5.956 7.548 ( -2.007 -4.481 3.371) 5.956 7.584 ( -0.349 -6.423 -6.175) 8.917 7.584 ( -0.349 -6.423 6.175) 8.917 7.888 ( 3.245 3.979 -9.769) 11.036 7.888 ( 3.245 3.979 9.769) 11.036 7.951 ( 0.112 -0.875 -10.581) 10.618 7.951 ( 0.112 -0.875 10.581) 10.618 8.171 ( 2.971 9.336 -1.821) 9.965 8.171 ( 2.971 9.336 1.821) 9.965 8.266 ( 4.739 4.111 -5.927) 8.630 8.266 ( 4.739 4.111 5.927) 8.630 8.389 ( -5.964 -2.837 -1.854) 6.859 8.389 ( -5.964 -2.837 1.854) 6.859 8.554 ( 2.111 -13.178 -4.447) 14.067 8.554 ( 2.111 -13.178 4.447) 14.067 8.807 ( 11.814 5.289 -3.894) 13.517 8.807 ( 11.814 5.289 3.894) 13.517 8.902 ( 10.944 -0.238 -5.679) 12.332 8.902 ( 10.944 -0.238 5.679) 12.332 8.988 ( 6.253 1.921 -5.629) 8.630 8.988 ( 6.253 1.921 5.629) 8.630 9.098 ( 5.633 -7.482 -1.828) 9.542 9.098 ( 5.633 -7.482 1.828) 9.542 9.371 ( -1.366 7.254 -2.665) 7.848 9.371 ( -1.366 7.254 2.665) 7.848 9.481 ( -5.161 -4.474 -2.069) 7.136 9.481 ( -5.161 -4.474 2.069) 7.136 9.574 ( -7.327 2.460 -3.416) 8.450 9.574 ( -7.327 2.460 3.416) 8.450 9.610 ( -7.037 -1.250 -2.129) 7.458 9.610 ( -7.037 -1.250 2.129) 7.458 9.751 ( 1.570 3.153 -2.916) 4.572 9.751 ( 1.570 3.153 2.916) 4.572 9.817 ( 3.139 -1.316 -4.319) 5.500 9.817 ( 3.139 -1.316 4.319) 5.500 10.015 ( 2.228 3.302 -1.762) 4.356 10.015 ( 2.228 3.302 1.762) 4.356 10.128 ( -0.399 -6.898 -4.542) 8.269 10.128 ( -0.399 -6.898 4.542) 8.269 10.422 ( -1.614 4.491 -5.273) 7.112 10.422 ( -1.614 4.491 5.273) 7.112 10.463 ( -0.870 1.124 -5.543) 5.722 10.463 ( -0.870 1.124 5.543) 5.722 10.734 ( 5.629 1.908 -0.610) 5.975 10.734 ( 5.629 1.908 0.610) 5.975 10.804 ( 6.511 -3.720 -1.110) 7.581 10.804 ( 6.511 -3.720 1.110) 7.581 10.874 ( -0.251 -0.110 -3.163) 3.175 10.874 ( -0.251 -0.110 3.163) 3.175 10.909 ( 0.590 -3.232 -4.585) 5.640 10.909 ( 0.590 -3.232 4.585) 5.640 11.031 ( -8.036 5.128 -4.917) 10.727 11.031 ( -8.036 5.128 4.917) 10.727 11.110 ( -3.390 -1.645 -5.418) 6.599 11.110 ( -3.390 -1.645 5.418) 6.599 11.240 ( 1.936 2.740 -2.703) 4.308 11.240 ( 1.936 2.740 2.703) 4.308 11.305 ( -1.901 -3.435 -1.741) 4.294 11.305 ( -1.901 -3.435 1.741) 4.294 11.365 ( -3.214 2.244 -3.857) 5.500 11.365 ( -3.214 2.244 3.857) 5.500 11.432 ( -3.139 -4.812 -4.089) 7.052 11.432 ( -3.139 -4.812 4.089) 7.052 11.509 ( -5.690 2.979 -1.466) 6.588 11.509 ( -5.690 2.979 1.466) 6.588 11.553 ( -3.371 -1.462 -1.561) 3.992 11.553 ( -3.371 -1.462 1.561) 3.992 11.990 ( -3.221 -0.230 -2.931) 4.362 11.990 ( -3.221 -0.230 2.931) 4.362 12.002 ( -6.218 -1.335 -4.224) 7.634 12.002 ( -6.218 -1.335 4.224) 7.634 12.199 ( 0.880 5.469 -4.644) 7.229 12.199 ( 0.880 5.469 4.644) 7.229 12.315 ( -1.214 -6.301 -6.878) 9.407 12.315 ( -1.214 -6.301 6.878) 9.407 12.431 ( -6.633 6.313 -4.353) 10.139 12.431 ( -6.633 6.313 4.353) 10.139 12.527 ( -5.027 -3.834 -3.532) 7.242 12.527 ( -5.027 -3.834 3.532) 7.242 12.809 ( -1.840 5.015 -5.297) 7.523 12.809 ( -1.840 5.015 5.297) 7.523 12.917 ( -1.044 -5.237 -4.794) 7.176 12.917 ( -1.044 -5.237 4.794) 7.176 13.028 ( -4.533 3.987 -11.500) 12.989 13.028 ( -4.533 3.987 11.500) 12.989 13.114 ( -4.032 -3.892 -9.537) 11.062 13.114 ( -4.032 -3.892 9.537) 11.062 13.410 ( 3.668 2.770 -5.725) 7.342 13.410 ( 3.668 2.770 5.725) 7.342 13.469 ( 3.791 -3.321 -5.834) 7.710 13.469 ( 3.791 -3.321 5.834) 7.710 13.742 ( -1.675 1.428 -1.779) 2.830 13.742 ( -1.675 1.428 1.779) 2.830 13.751 ( -1.207 0.419 -1.380) 1.881 13.751 ( -1.207 0.419 1.380) 1.881 14.303 ( 6.688 2.793 -6.347) 9.634 14.303 ( 6.688 2.793 6.347) 9.634 14.352 ( 5.595 -2.183 -8.894) 10.732 14.352 ( 5.595 -2.183 8.894) 10.732 14.497 ( 1.535 3.419 -4.770) 6.066 14.497 ( 1.535 3.419 4.770) 6.066 14.580 ( -0.574 -5.228 -10.291) 11.557 14.580 ( -0.574 -5.228 10.291) 11.557 15.302 ( 0.341 4.109 -1.388) 4.351 15.302 ( 0.341 4.109 1.388) 4.351 15.380 ( -1.342 -4.087 -1.122) 4.446 15.380 ( -1.342 -4.087 1.122) 4.446 15.584 ( -5.842 1.170 -1.178) 6.073 15.584 ( -5.842 1.170 1.178) 6.073 15.600 ( -6.071 -0.545 -1.381) 6.250 15.600 ( -6.071 -0.545 1.381) 6.250 16.448 ( 0.394 2.015 -2.351) 3.122 16.448 ( 0.394 2.015 2.351) 3.122 16.486 ( -0.083 -1.911 -2.368) 3.044 16.486 ( -0.083 -1.911 2.368) 3.044 16.744 ( -8.307 1.149 -4.213) 9.385 16.744 ( -8.307 1.149 4.213) 9.385 16.767 ( -9.102 -1.175 -3.404) 9.789 16.767 ( -9.102 -1.175 3.404) 9.789 20.287 ( 9.113 1.146 -2.167) 9.437 20.287 ( 9.113 1.146 2.167) 9.437 20.309 ( 8.956 -1.124 -3.055) 9.530 20.309 ( 8.956 -1.124 3.055) 9.530 20.730 ( -3.991 1.951 -2.225) 4.968 20.730 ( -3.991 1.951 2.225) 4.968 20.774 ( -5.279 -2.634 -0.970) 5.979 20.774 ( -5.279 -2.634 0.970) 5.979 21.966 ( -1.480 4.216 -0.876) 4.553 21.966 ( -1.480 4.216 0.876) 4.553 22.022 ( -2.968 -1.591 -2.048) 3.941 22.022 ( -2.968 -1.591 2.048) 3.941 22.196 ( -2.888 2.939 -0.770) 4.192 22.196 ( -2.888 2.939 0.770) 4.192 22.274 ( -3.999 -4.722 -1.324) 6.328 22.274 ( -3.999 -4.722 1.324) 6.328 22.717 ( 5.305 2.695 -1.633) 6.170 22.717 ( 5.305 2.695 1.633) 6.170 22.786 ( 3.411 -4.751 -2.184) 6.243 22.786 ( 3.411 -4.751 2.184) 6.243 22.923 ( 6.962 0.769 -2.092) 7.310 22.923 ( 6.962 0.769 2.092) 7.310 22.932 ( 5.835 -0.048 -3.202) 6.656 22.932 ( 5.835 -0.048 3.203) 6.656 23.412 ( -0.802 5.578 -2.258) 6.071 23.412 ( -0.802 5.578 2.258) 6.071 23.508 ( -2.600 -4.435 -2.643) 5.781 23.508 ( -2.600 -4.435 2.643) 5.781 23.980 ( -9.731 1.225 -2.866) 10.218 23.980 ( -9.731 1.225 2.866) 10.218 24.003 ( -9.483 -1.159 -1.634) 9.692 24.003 ( -9.483 -1.159 1.634) 9.692 24.673 ( -0.971 1.415 -1.742) 2.445 24.673 ( -0.971 1.415 1.742) 2.445 24.701 ( -1.578 -1.484 -1.508) 2.639 24.701 ( -1.578 -1.484 1.508) 2.639 24.972 ( -0.007 3.065 -2.223) 3.786 24.972 ( -0.007 3.065 2.223) 3.786 25.040 ( -3.091 -4.123 -3.899) 6.462 25.040 ( -3.091 -4.123 3.899) 6.462 25.242 ( -0.481 1.918 -3.718) 4.211 25.242 ( -0.481 1.918 3.718) 4.211 25.270 ( -2.714 -1.081 -2.438) 3.805 25.270 ( -2.714 -1.081 2.438) 3.805 25.671 ( -10.858 2.756 -5.144) 12.326 25.671 ( -10.858 2.756 5.144) 12.326 25.721 ( -11.577 -2.482 -7.283) 13.900 25.721 ( -11.577 -2.482 7.283) 13.900 ======================= Grid point 107 (40/40) ======================= q-point: ( 0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 5.87e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( 19.716 9.448 -10.216) 24.132 2.596 ( 19.716 9.448 10.216) 24.132 2.793 ( 15.235 -11.144 -14.936) 24.071 2.793 ( 15.235 -11.144 14.936) 24.071 2.997 ( -15.237 3.947 -7.825) 17.578 2.997 ( -15.237 3.947 7.825) 17.578 3.104 ( -11.503 -6.906 -8.316) 15.786 3.104 ( -11.503 -6.906 8.316) 15.786 3.410 ( 9.753 9.535 -2.358) 13.842 3.410 ( 9.753 9.535 2.358) 13.842 3.552 ( 9.411 -5.720 -1.413) 11.104 3.552 ( 9.411 -5.720 1.413) 11.103 3.609 ( -1.482 7.356 -1.405) 7.634 3.609 ( -1.482 7.356 1.405) 7.634 3.746 ( 1.515 -6.228 -2.526) 6.889 3.746 ( 1.515 -6.228 2.526) 6.889 4.030 ( -6.029 4.516 -6.594) 10.011 4.030 ( -6.029 4.516 6.594) 10.011 4.114 ( -9.254 -1.239 -1.215) 9.416 4.114 ( -9.254 -1.239 1.215) 9.416 4.284 ( 0.100 -0.823 -6.923) 6.973 4.284 ( 0.100 -0.823 6.923) 6.973 4.397 ( -8.589 -8.481 -6.561) 13.739 4.397 ( -8.589 -8.481 6.561) 13.739 4.672 ( 8.783 3.668 -1.575) 9.648 4.672 ( 8.783 3.668 1.575) 9.648 4.788 ( 2.307 -7.309 -0.981) 7.727 4.788 ( 2.307 -7.309 0.981) 7.727 4.974 ( -0.811 5.189 -1.310) 5.413 4.974 ( -0.811 5.189 1.310) 5.413 5.069 ( -5.987 -3.091 -2.399) 7.152 5.069 ( -5.987 -3.091 2.399) 7.152 5.163 ( 5.817 9.029 -2.600) 11.051 5.163 ( 5.817 9.029 2.600) 11.051 5.247 ( 2.243 3.031 -2.673) 4.622 5.247 ( 2.243 3.032 2.673) 4.622 5.434 ( 14.502 1.039 -5.639) 15.594 5.434 ( 14.502 1.039 5.639) 15.594 5.515 ( 12.247 -5.311 -6.202) 14.720 5.515 ( 12.247 -5.311 6.202) 14.720 5.686 ( 2.275 6.616 -3.524) 7.834 5.686 ( 2.275 6.616 3.524) 7.834 5.812 ( -5.158 -6.212 -3.438) 8.776 5.812 ( -5.158 -6.212 3.438) 8.776 5.891 ( -4.618 3.677 -5.853) 8.313 5.891 ( -4.618 3.677 5.853) 8.313 5.967 ( -4.147 -2.846 -6.238) 8.013 5.967 ( -4.147 -2.846 6.238) 8.013 6.191 ( 0.903 4.190 -4.840) 6.465 6.191 ( 0.902 4.190 4.840) 6.465 6.264 ( -4.519 -1.254 -4.403) 6.433 6.264 ( -4.519 -1.254 4.403) 6.433 6.445 ( 3.723 -1.488 -2.235) 4.590 6.445 ( 3.723 -1.488 2.235) 4.590 6.520 ( -0.157 -7.705 -4.419) 8.884 6.520 ( -0.157 -7.705 4.419) 8.884 6.632 ( 4.654 3.147 -7.292) 9.205 6.632 ( 4.654 3.147 7.292) 9.206 6.680 ( 1.877 -1.139 -5.509) 5.930 6.680 ( 1.877 -1.139 5.509) 5.930 6.832 ( -3.026 5.437 -6.418) 8.939 6.832 ( -3.026 5.437 6.418) 8.939 6.903 ( -4.996 -1.821 -4.069) 6.696 6.903 ( -4.996 -1.821 4.069) 6.696 7.201 ( 4.079 3.024 -1.470) 5.286 7.201 ( 4.079 3.024 1.470) 5.286 7.253 ( 0.324 -1.378 -1.305) 1.926 7.253 ( 0.324 -1.378 1.305) 1.926 7.370 ( 3.484 2.144 -1.115) 4.241 7.370 ( 3.485 2.144 1.115) 4.241 7.439 ( 0.199 -5.355 -3.711) 6.518 7.439 ( 0.199 -5.355 3.711) 6.518 7.522 ( 4.235 3.389 -4.064) 6.778 7.522 ( 4.235 3.389 4.064) 6.778 7.607 ( 2.172 -3.892 -5.499) 7.078 7.607 ( 2.172 -3.892 5.499) 7.078 7.791 ( -9.282 -1.848 -6.016) 11.214 7.791 ( -9.282 -1.848 6.016) 11.214 7.837 ( -8.213 -6.164 -6.906) 12.375 7.837 ( -8.213 -6.164 6.906) 12.375 8.241 ( 2.272 9.644 -3.455) 10.493 8.241 ( 2.272 9.644 3.455) 10.493 8.271 ( -0.651 12.811 -2.891) 13.149 8.271 ( -0.651 12.811 2.891) 13.149 8.472 ( 8.774 -6.103 -8.148) 13.439 8.472 ( 8.774 -6.103 8.148) 13.439 8.576 ( -1.324 -10.937 -5.776) 12.439 8.576 ( -1.324 -10.937 5.776) 12.439 9.040 ( 8.221 5.885 -3.614) 10.737 9.040 ( 8.221 5.885 3.614) 10.737 9.120 ( 8.345 1.329 -2.484) 8.808 9.120 ( 8.346 1.329 2.484) 8.808 9.184 ( 1.873 1.771 -1.759) 3.121 9.184 ( 1.873 1.771 1.759) 3.121 9.255 ( 3.562 -2.707 -0.791) 4.544 9.255 ( 3.562 -2.707 0.791) 4.544 9.361 ( -2.638 5.548 -1.286) 6.277 9.361 ( -2.638 5.548 1.286) 6.277 9.393 ( 3.316 2.641 -1.913) 4.651 9.393 ( 3.316 2.641 1.913) 4.651 9.470 ( 1.571 -5.317 -0.534) 5.570 9.470 ( 1.571 -5.317 0.534) 5.570 9.562 ( 2.580 -8.867 -5.077) 10.539 9.562 ( 2.580 -8.867 5.077) 10.539 9.786 ( 7.578 2.860 -1.819) 8.302 9.786 ( 7.578 2.860 1.819) 8.302 9.854 ( 3.193 -3.909 -3.523) 6.155 9.854 ( 3.193 -3.909 3.523) 6.155 10.023 ( -3.600 4.080 -2.690) 6.070 10.023 ( -3.600 4.080 2.690) 6.070 10.114 ( -7.645 -4.174 -3.928) 9.555 10.114 ( -7.645 -4.174 3.928) 9.555 10.336 ( -3.820 6.227 -3.790) 8.230 10.336 ( -3.820 6.227 3.790) 8.230 10.400 ( -8.510 -0.298 -4.192) 9.491 10.400 ( -8.510 -0.298 4.192) 9.491 10.553 ( -9.314 3.514 -6.760) 12.033 10.553 ( -9.314 3.514 6.760) 12.033 10.613 ( -13.911 -1.943 -3.501) 14.476 10.613 ( -13.911 -1.943 3.501) 14.476 10.909 ( 4.750 1.965 -2.391) 5.669 10.909 ( 4.750 1.965 2.391) 5.669 10.961 ( 1.729 0.912 -1.868) 2.704 10.961 ( 1.729 0.912 1.868) 2.704 10.992 ( 3.079 -2.824 -1.328) 4.384 10.992 ( 3.079 -2.824 1.328) 4.384 11.052 ( -0.565 -5.445 -1.598) 5.703 11.052 ( -0.565 -5.445 1.598) 5.703 11.283 ( 0.794 2.129 -2.538) 3.407 11.283 ( 0.794 2.129 2.538) 3.407 11.317 ( -1.633 1.518 -1.930) 2.949 11.317 ( -1.633 1.518 1.930) 2.949 11.361 ( 1.153 1.074 -3.917) 4.222 11.361 ( 1.153 1.074 3.917) 4.222 11.409 ( -1.267 -1.649 -3.011) 3.659 11.409 ( -1.267 -1.649 3.011) 3.659 11.542 ( 6.674 1.839 -3.482) 7.749 11.542 ( 6.674 1.839 3.482) 7.749 11.577 ( 4.787 -2.058 -1.269) 5.363 11.577 ( 4.787 -2.058 1.269) 5.363 11.852 ( -5.923 0.409 -4.131) 7.233 11.852 ( -5.923 0.409 4.131) 7.233 11.885 ( -7.114 -3.163 -1.966) 8.030 11.885 ( -7.114 -3.163 1.966) 8.030 12.236 ( 2.412 4.103 -4.469) 6.529 12.236 ( 2.412 4.103 4.469) 6.529 12.291 ( -2.373 0.616 -6.267) 6.729 12.291 ( -2.373 0.616 6.267) 6.729 12.375 ( 2.023 1.136 -2.506) 3.415 12.375 ( 2.023 1.136 2.506) 3.415 12.443 ( -3.477 -3.875 -2.931) 5.975 12.443 ( -3.477 -3.875 2.931) 5.975 12.786 ( 0.489 3.931 -5.622) 6.877 12.786 ( 0.489 3.931 5.622) 6.877 12.847 ( -4.797 -1.203 -4.132) 6.445 12.847 ( -4.797 -1.203 4.132) 6.445 12.969 ( 0.039 0.467 -1.000) 1.105 12.969 ( 0.039 0.467 1.000) 1.105 13.015 ( -4.094 -3.192 -6.251) 8.125 13.015 ( -4.094 -3.192 6.251) 8.125 13.503 ( 3.723 0.764 -1.345) 4.031 13.503 ( 3.723 0.764 1.345) 4.031 13.532 ( 1.238 -2.342 -3.034) 4.028 13.532 ( 1.238 -2.342 3.034) 4.028 13.716 ( -0.535 1.848 -1.022) 2.178 13.716 ( -0.535 1.848 1.022) 2.178 13.725 ( -1.185 0.775 -0.946) 1.703 13.725 ( -1.185 0.775 0.946) 1.703 14.428 ( 4.889 1.944 -5.335) 7.493 14.428 ( 4.889 1.944 5.335) 7.493 14.463 ( 4.384 -1.498 -8.218) 9.433 14.463 ( 4.384 -1.498 8.218) 9.433 14.501 ( -0.984 1.750 -3.944) 4.426 14.501 ( -0.984 1.750 3.944) 4.426 14.548 ( -2.635 -2.962 -8.938) 9.778 14.548 ( -2.635 -2.962 8.938) 9.778 15.330 ( 2.150 1.772 -1.404) 3.120 15.330 ( 2.150 1.772 1.404) 3.120 15.364 ( -0.624 -1.749 -0.669) 1.974 15.364 ( -0.624 -1.749 0.669) 1.974 15.483 ( -3.058 0.663 -0.911) 3.259 15.483 ( -3.058 0.663 0.911) 3.259 15.493 ( -3.637 -0.431 -1.222) 3.861 15.493 ( -3.637 -0.431 1.222) 3.861 16.476 ( 2.451 1.111 -2.531) 3.694 16.476 ( 2.451 1.111 2.531) 3.694 16.496 ( 1.156 -0.958 -1.614) 2.204 16.496 ( 1.156 -0.958 1.614) 2.204 16.596 ( -5.337 0.252 -3.005) 6.130 16.596 ( -5.337 0.252 3.005) 6.130 16.603 ( -5.882 -0.373 -1.990) 6.221 16.603 ( -5.882 -0.373 1.990) 6.221 20.456 ( 6.845 0.910 -1.099) 6.992 20.456 ( 6.845 0.910 1.099) 6.992 20.473 ( 6.290 -0.812 -1.563) 6.532 20.473 ( 6.290 -0.812 1.563) 6.532 20.635 ( -4.571 0.973 -0.893) 4.758 20.635 ( -4.571 0.973 0.893) 4.758 20.657 ( -5.687 -1.299 -0.126) 5.835 20.657 ( -5.687 -1.299 0.126) 5.835 21.949 ( 0.067 2.453 -1.102) 2.690 21.949 ( 0.067 2.453 1.102) 2.690 21.970 ( -1.888 0.446 -1.515) 2.462 21.970 ( -1.888 0.446 1.515) 2.462 22.157 ( -0.301 0.079 -0.436) 0.536 22.157 ( -0.301 0.079 0.436) 0.536 22.190 ( -3.297 -3.027 -0.537) 4.508 22.190 ( -3.297 -3.027 0.537) 4.508 22.828 ( 4.754 1.243 -0.799) 4.978 22.828 ( 4.754 1.243 0.799) 4.978 22.862 ( 2.449 -2.466 -1.443) 3.763 22.862 ( 2.449 -2.466 1.443) 3.763 22.987 ( 0.285 1.589 -1.934) 2.519 22.987 ( 0.285 1.589 1.934) 2.519 23.003 ( -0.003 -0.308 -2.055) 2.078 23.003 ( -0.003 -0.308 2.055) 2.078 23.496 ( 8.556 2.612 -1.114) 9.015 23.496 ( 8.556 2.612 1.114) 9.015 23.544 ( 6.223 -2.356 -0.856) 6.709 23.544 ( 6.223 -2.356 0.856) 6.709 23.749 ( -11.335 1.337 -1.981) 11.585 23.749 ( -11.335 1.337 1.981) 11.585 23.776 ( -11.330 -1.362 -1.450) 11.504 23.776 ( -11.330 -1.362 1.450) 11.504 24.661 ( -0.067 0.592 -0.524) 0.794 24.661 ( -0.067 0.592 0.524) 0.794 24.671 ( -1.057 -0.481 -0.423) 1.236 24.671 ( -1.057 -0.481 0.423) 1.236 24.965 ( -0.145 0.632 -0.697) 0.952 24.965 ( -0.145 0.632 0.697) 0.952 24.982 ( -1.943 -1.169 -2.099) 3.091 24.982 ( -1.943 -1.169 2.099) 3.091 25.301 ( 5.207 0.987 -3.414) 6.304 25.301 ( 5.207 0.987 3.414) 6.304 25.317 ( 6.305 -0.537 -4.457) 7.740 25.317 ( 6.305 -0.537 4.457) 7.740 25.461 ( -8.947 1.797 -4.053) 9.985 25.461 ( -8.947 1.797 4.053) 9.985 25.496 ( -9.834 -1.823 -5.736) 11.530 25.496 ( -9.834 -1.823 5.736) 11.530 =================== 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 3/38880 10.0 594.630 1050.958 653.313 0.000 0.000 -0.000 3/38880 20.0 202.186 345.593 369.131 0.000 0.000 0.000 3/38880 30.0 104.597 135.902 169.492 0.000 0.000 0.000 3/38880 40.0 66.891 74.026 95.218 0.000 0.000 0.000 3/38880 50.0 47.127 46.933 60.885 0.000 0.000 0.000 3/38880 60.0 35.154 32.617 42.352 0.000 0.000 0.000 3/38880 70.0 27.312 24.153 31.279 0.000 0.000 0.000 3/38880 80.0 21.916 18.748 24.176 0.000 0.000 0.000 3/38880 90.0 18.067 15.095 19.371 0.000 0.000 0.000 3/38880 100.0 15.237 12.513 15.979 0.000 0.000 0.000 3/38880 110.0 13.102 10.621 13.500 0.000 0.000 0.000 3/38880 120.0 11.453 9.190 11.634 0.000 0.000 0.000 3/38880 130.0 10.151 8.081 10.192 0.000 0.000 0.000 3/38880 140.0 9.105 7.200 9.052 0.000 0.000 0.000 3/38880 150.0 8.249 6.488 8.134 0.000 0.000 0.000 3/38880 160.0 7.539 5.902 7.381 0.000 0.000 0.000 3/38880 170.0 6.941 5.412 6.754 0.000 0.000 0.000 3/38880 180.0 6.432 4.998 6.226 0.000 0.000 0.000 3/38880 190.0 5.994 4.643 5.774 0.000 0.000 0.000 3/38880 200.0 5.613 4.336 5.384 0.000 0.000 0.000 3/38880 210.0 5.280 4.068 5.045 0.000 0.000 0.000 3/38880 220.0 4.985 3.832 4.747 0.000 0.000 0.000 3/38880 230.0 4.722 3.622 4.483 0.000 0.000 0.000 3/38880 240.0 4.487 3.435 4.247 0.000 0.000 0.000 3/38880 250.0 4.276 3.267 4.036 0.000 0.000 0.000 3/38880 260.0 4.084 3.115 3.846 0.000 0.000 0.000 3/38880 270.0 3.910 2.978 3.674 0.000 0.000 0.000 3/38880 280.0 3.751 2.852 3.516 0.000 0.000 0.000 3/38880 290.0 3.605 2.737 3.373 0.000 0.000 0.000 3/38880 300.0 3.470 2.631 3.241 0.000 0.000 0.000 3/38880 310.0 3.346 2.534 3.119 0.000 0.000 0.000 3/38880 320.0 3.230 2.443 3.007 0.000 0.000 0.000 3/38880 330.0 3.123 2.359 2.902 0.000 0.000 0.000 3/38880 340.0 3.023 2.281 2.805 0.000 0.000 0.000 3/38880 350.0 2.929 2.208 2.715 0.000 0.000 0.000 3/38880 360.0 2.842 2.140 2.630 0.000 0.000 0.000 3/38880 370.0 2.759 2.076 2.551 0.000 0.000 0.000 3/38880 380.0 2.682 2.016 2.476 0.000 0.000 0.000 3/38880 390.0 2.609 1.959 2.406 0.000 0.000 0.000 3/38880 400.0 2.540 1.906 2.340 0.000 0.000 0.000 3/38880 410.0 2.475 1.856 2.278 0.000 0.000 0.000 3/38880 420.0 2.413 1.808 2.219 0.000 0.000 0.000 3/38880 430.0 2.354 1.762 2.163 0.000 0.000 0.000 3/38880 440.0 2.298 1.719 2.109 0.000 0.000 0.000 3/38880 450.0 2.245 1.679 2.059 0.000 0.000 0.000 3/38880 460.0 2.194 1.640 2.011 0.000 0.000 0.000 3/38880 470.0 2.146 1.602 1.965 0.000 0.000 0.000 3/38880 480.0 2.099 1.567 1.921 0.000 0.000 0.000 3/38880 490.0 2.055 1.533 1.880 0.000 0.000 0.000 3/38880 500.0 2.013 1.501 1.840 0.000 0.000 0.000 3/38880 510.0 1.972 1.470 1.801 0.000 0.000 0.000 3/38880 520.0 1.933 1.440 1.765 0.000 0.000 0.000 3/38880 530.0 1.896 1.411 1.730 0.000 0.000 0.000 3/38880 540.0 1.860 1.384 1.696 0.000 0.000 0.000 3/38880 550.0 1.825 1.358 1.663 0.000 0.000 0.000 3/38880 560.0 1.792 1.332 1.632 0.000 0.000 0.000 3/38880 570.0 1.760 1.308 1.602 0.000 0.000 0.000 3/38880 580.0 1.729 1.285 1.573 0.000 0.000 0.000 3/38880 590.0 1.699 1.262 1.546 0.000 0.000 0.000 3/38880 600.0 1.670 1.240 1.519 0.000 0.000 0.000 3/38880 610.0 1.642 1.219 1.493 0.000 0.000 0.000 3/38880 620.0 1.615 1.199 1.468 0.000 0.000 0.000 3/38880 630.0 1.589 1.179 1.444 0.000 0.000 0.000 3/38880 640.0 1.564 1.160 1.420 0.000 0.000 0.000 3/38880 650.0 1.540 1.142 1.398 0.000 0.000 0.000 3/38880 660.0 1.516 1.124 1.376 0.000 0.000 0.000 3/38880 670.0 1.493 1.106 1.354 0.000 0.000 0.000 3/38880 680.0 1.471 1.090 1.334 0.000 0.000 0.000 3/38880 690.0 1.450 1.073 1.314 0.000 0.000 0.000 3/38880 700.0 1.429 1.058 1.295 0.000 0.000 0.000 3/38880 710.0 1.408 1.042 1.276 0.000 0.000 0.000 3/38880 720.0 1.389 1.028 1.258 0.000 0.000 0.000 3/38880 730.0 1.369 1.013 1.240 0.000 0.000 0.000 3/38880 740.0 1.351 0.999 1.223 0.000 0.000 0.000 3/38880 750.0 1.333 0.985 1.206 0.000 0.000 0.000 3/38880 760.0 1.315 0.972 1.190 0.000 0.000 0.000 3/38880 770.0 1.298 0.959 1.174 0.000 0.000 0.000 3/38880 780.0 1.281 0.947 1.159 0.000 0.000 0.000 3/38880 790.0 1.265 0.934 1.144 0.000 0.000 0.000 3/38880 800.0 1.249 0.923 1.129 0.000 0.000 0.000 3/38880 810.0 1.233 0.911 1.115 0.000 0.000 0.000 3/38880 820.0 1.218 0.900 1.101 0.000 0.000 0.000 3/38880 830.0 1.203 0.889 1.087 0.000 0.000 0.000 3/38880 840.0 1.189 0.878 1.074 0.000 0.000 0.000 3/38880 850.0 1.175 0.867 1.061 0.000 0.000 0.000 3/38880 860.0 1.161 0.857 1.049 0.000 0.000 0.000 3/38880 870.0 1.148 0.847 1.036 0.000 0.000 0.000 3/38880 880.0 1.135 0.837 1.024 0.000 0.000 0.000 3/38880 890.0 1.122 0.828 1.013 0.000 0.000 0.000 3/38880 900.0 1.109 0.818 1.001 0.000 0.000 0.000 3/38880 910.0 1.097 0.809 0.990 0.000 0.000 0.000 3/38880 920.0 1.085 0.800 0.979 0.000 0.000 0.000 3/38880 930.0 1.073 0.792 0.968 0.000 0.000 0.000 3/38880 940.0 1.062 0.783 0.958 0.000 0.000 0.000 3/38880 950.0 1.051 0.775 0.948 0.000 0.000 0.000 3/38880 960.0 1.040 0.766 0.938 0.000 0.000 0.000 3/38880 970.0 1.029 0.758 0.928 0.000 0.000 0.000 3/38880 980.0 1.018 0.751 0.918 0.000 0.000 0.000 3/38880 990.0 1.008 0.743 0.909 0.000 0.000 0.000 3/38880 1000.0 0.998 0.735 0.900 0.000 0.000 0.000 3/38880 Thermal conductivity related properties were written into "kappa-m936.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:02:12]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|