----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:50:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 18.241801280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.304149599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.401372090000001 Atomic positions (fractional): *1 F 0.17978566541278 0.96956434044333 0.17286664643514 18.998 2 F 0.82021433458722 0.03043565955667 0.67286664643514 18.998 3 F 0.67978566541278 0.53043565955667 0.17286664643514 18.998 4 F 0.32021433458722 0.46956434044333 0.67286664643514 18.998 *5 F 0.07536845623584 0.05273645060595 0.46574000549851 18.998 6 F 0.92463154376416 0.94726354939405 0.96574000549851 18.998 7 F 0.57536845623584 0.44726354939405 0.46574000549851 18.998 8 F 0.42463154376416 0.55273645060595 0.96574000549851 18.998 *9 F 0.20951783651772 0.48187988926810 0.14847675139741 18.998 10 F 0.79048216348228 0.51812011073190 0.64847675139741 18.998 11 F 0.70951783651772 0.01812011073190 0.14847675139741 18.998 12 F 0.29048216348228 0.98187988926810 0.64847675139741 18.998 *13 F 0.43145412685628 0.83017661173359 0.75000019685596 18.998 14 F 0.56854587314372 0.16982338826641 0.25000019685596 18.998 15 F 0.93145412685628 0.66982338826641 0.75000019685596 18.998 16 F 0.06854587314372 0.33017661173359 0.25000019685596 18.998 *17 F 0.31116693975984 0.81120828403679 0.10268129758095 18.998 *18 F 0.05766856280213 0.81135993909969 0.03833746885328 18.998 19 F 0.68883306024016 0.18879171596321 0.60268129758095 18.998 20 F 0.18883306024016 0.31120828403679 0.60268129758095 18.998 *21 F 0.46177278679369 0.03775067394061 0.99365985086095 18.998 22 F 0.53822721320631 0.96224932605939 0.49365985086095 18.998 23 F 0.96177278679369 0.46224932605939 0.99365985086095 18.998 24 F 0.03822721320631 0.53775067394061 0.49365985086095 18.998 *25 F 0.21003379000308 0.50395437910866 0.84113325645922 18.998 26 F 0.78996620999693 0.49604562089134 0.34113325645922 18.998 27 F 0.71003379000307 0.99604562089134 0.84113325645922 18.998 28 F 0.28996620999693 0.00395437910866 0.34113325645922 18.998 *29 F 0.18300286211364 0.69644952752579 0.39079380984592 18.998 30 F 0.81699713788636 0.30355047247422 0.89079380984592 18.998 31 F 0.68300286211364 0.80355047247421 0.39079380984592 18.998 32 F 0.31699713788636 0.19644952752579 0.89079380984592 18.998 *33 F 0.18985330632711 0.03026944813017 0.82634667790947 18.998 34 F 0.81014669367289 0.96973055186983 0.32634667790947 18.998 35 F 0.68985330632711 0.46973055186983 0.82634667790947 18.998 36 F 0.31014669367289 0.53026944813017 0.32634667790947 18.998 *37 F 0.06041114895027 0.52385402257144 0.81605223764080 18.998 38 F 0.93958885104973 0.47614597742856 0.31605223764080 18.998 39 F 0.56041114895027 0.97614597742856 0.81605223764080 18.998 40 F 0.43958885104973 0.02385402257144 0.31605223764080 18.998 *41 F 0.46381607097210 0.49074716555566 0.29611369140412 18.998 42 F 0.53618392902790 0.50925283444434 0.79611369140412 18.998 43 F 0.96381607097210 0.00925283444434 0.29611369140412 18.998 44 F 0.03618392902790 0.99074716555566 0.79611369140412 18.998 45 F 0.44233143719787 0.31135993909969 0.53833746885328 18.998 46 F 0.55766856280213 0.68864006090031 0.03833746885328 18.998 47 F 0.94233143719787 0.18864006090031 0.53833746885328 18.998 48 F 0.81116693975984 0.68879171596321 0.10268129758095 18.998 *49 Na 0.31315945613335 0.75525972576913 0.86834829331927 22.990 50 Na 0.68684054386665 0.24474027423087 0.36834829331927 22.990 51 Na 0.81315945613335 0.74474027423087 0.86834829331927 22.990 52 Na 0.18684054386665 0.25525972576913 0.36834829331927 22.990 *53 Na 0.43323648042445 0.26259354154342 0.77284100976930 22.990 54 Na 0.56676351957555 0.73740645845658 0.27284100976930 22.990 55 Na 0.93323648042445 0.23740645845658 0.77284100976930 22.990 56 Na 0.06676351957555 0.76259354154342 0.27284100976930 22.990 *57 Al 0.99404487397657 0.73768979987447 0.89832409955032 26.982 58 Al 0.00595512602343 0.26231020012554 0.39832409955032 26.982 59 Al 0.49404487397657 0.76231020012553 0.89832409955032 26.982 60 Al 0.50595512602343 0.23768979987447 0.39832409955032 26.982 *61 Al 0.25393116730632 0.25152019076848 0.74215211757674 26.982 62 Al 0.74606883269368 0.74847980923152 0.24215211757674 26.982 63 Al 0.75393116730632 0.24847980923152 0.74215211757674 26.982 64 Al 0.24606883269368 0.75152019076848 0.24215211757674 26.982 *65 Sr 0.13398184821805 0.75257177360213 0.63996051526096 87.620 66 Sr 0.86601815178195 0.24742822639787 0.13996051526096 87.620 67 Sr 0.63398184821805 0.74742822639787 0.63996051526096 87.620 68 Sr 0.36601815178195 0.25257177360213 0.13996051526096 87.620 *69 Sr 0.38513967871917 0.75286618123862 0.50237213378169 87.620 70 Sr 0.61486032128083 0.24713381876138 0.00237213378169 87.620 71 Sr 0.88513967871917 0.74713381876138 0.50237213378169 87.620 72 Sr 0.11486032128083 0.25286618123862 0.00237213378169 87.620 -------------------------------- unit cell --------------------------------- Lattice vectors: a 18.241801280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.304149599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.401372090000001 Atomic positions (fractional): *1 F 0.17978566541278 0.96956434044333 0.17286664643514 18.998 > 1 2 F 0.82021433458722 0.03043565955667 0.67286664643514 18.998 > 2 3 F 0.67978566541278 0.53043565955667 0.17286664643514 18.998 > 3 4 F 0.32021433458722 0.46956434044333 0.67286664643514 18.998 > 4 *5 F 0.07536845623584 0.05273645060595 0.46574000549851 18.998 > 5 6 F 0.92463154376416 0.94726354939405 0.96574000549851 18.998 > 6 7 F 0.57536845623584 0.44726354939405 0.46574000549851 18.998 > 7 8 F 0.42463154376416 0.55273645060595 0.96574000549851 18.998 > 8 *9 F 0.20951783651772 0.48187988926810 0.14847675139741 18.998 > 9 10 F 0.79048216348228 0.51812011073190 0.64847675139741 18.998 > 10 11 F 0.70951783651772 0.01812011073190 0.14847675139741 18.998 > 11 12 F 0.29048216348228 0.98187988926810 0.64847675139741 18.998 > 12 *13 F 0.43145412685628 0.83017661173359 0.75000019685596 18.998 > 13 14 F 0.56854587314372 0.16982338826641 0.25000019685596 18.998 > 14 15 F 0.93145412685628 0.66982338826641 0.75000019685596 18.998 > 15 16 F 0.06854587314372 0.33017661173359 0.25000019685596 18.998 > 16 *17 F 0.31116693975984 0.81120828403679 0.10268129758095 18.998 > 17 *18 F 0.05766856280213 0.81135993909969 0.03833746885328 18.998 > 18 19 F 0.68883306024016 0.18879171596321 0.60268129758095 18.998 > 19 20 F 0.18883306024016 0.31120828403679 0.60268129758095 18.998 > 20 *21 F 0.46177278679369 0.03775067394061 0.99365985086095 18.998 > 21 22 F 0.53822721320631 0.96224932605939 0.49365985086095 18.998 > 22 23 F 0.96177278679369 0.46224932605939 0.99365985086095 18.998 > 23 24 F 0.03822721320631 0.53775067394061 0.49365985086095 18.998 > 24 *25 F 0.21003379000308 0.50395437910866 0.84113325645922 18.998 > 25 26 F 0.78996620999693 0.49604562089134 0.34113325645922 18.998 > 26 27 F 0.71003379000307 0.99604562089134 0.84113325645922 18.998 > 27 28 F 0.28996620999693 0.00395437910866 0.34113325645922 18.998 > 28 *29 F 0.18300286211364 0.69644952752579 0.39079380984592 18.998 > 29 30 F 0.81699713788636 0.30355047247422 0.89079380984592 18.998 > 30 31 F 0.68300286211364 0.80355047247421 0.39079380984592 18.998 > 31 32 F 0.31699713788636 0.19644952752579 0.89079380984592 18.998 > 32 *33 F 0.18985330632711 0.03026944813017 0.82634667790947 18.998 > 33 34 F 0.81014669367289 0.96973055186983 0.32634667790947 18.998 > 34 35 F 0.68985330632711 0.46973055186983 0.82634667790947 18.998 > 35 36 F 0.31014669367289 0.53026944813017 0.32634667790947 18.998 > 36 *37 F 0.06041114895027 0.52385402257144 0.81605223764080 18.998 > 37 38 F 0.93958885104973 0.47614597742856 0.31605223764080 18.998 > 38 39 F 0.56041114895027 0.97614597742856 0.81605223764080 18.998 > 39 40 F 0.43958885104973 0.02385402257144 0.31605223764080 18.998 > 40 *41 F 0.46381607097210 0.49074716555566 0.29611369140412 18.998 > 41 42 F 0.53618392902790 0.50925283444434 0.79611369140412 18.998 > 42 43 F 0.96381607097210 0.00925283444434 0.29611369140412 18.998 > 43 44 F 0.03618392902790 0.99074716555566 0.79611369140412 18.998 > 44 45 F 0.44233143719787 0.31135993909969 0.53833746885328 18.998 > 45 46 F 0.55766856280213 0.68864006090031 0.03833746885328 18.998 > 46 47 F 0.94233143719787 0.18864006090031 0.53833746885328 18.998 > 47 48 F 0.81116693975984 0.68879171596321 0.10268129758095 18.998 > 48 *49 Na 0.31315945613335 0.75525972576913 0.86834829331927 22.990 > 49 50 Na 0.68684054386665 0.24474027423087 0.36834829331927 22.990 > 50 51 Na 0.81315945613335 0.74474027423087 0.86834829331927 22.990 > 51 52 Na 0.18684054386665 0.25525972576913 0.36834829331927 22.990 > 52 *53 Na 0.43323648042445 0.26259354154342 0.77284100976930 22.990 > 53 54 Na 0.56676351957555 0.73740645845658 0.27284100976930 22.990 > 54 55 Na 0.93323648042445 0.23740645845658 0.77284100976930 22.990 > 55 56 Na 0.06676351957555 0.76259354154342 0.27284100976930 22.990 > 56 *57 Al 0.99404487397657 0.73768979987447 0.89832409955032 26.982 > 57 58 Al 0.00595512602343 0.26231020012554 0.39832409955032 26.982 > 58 59 Al 0.49404487397657 0.76231020012553 0.89832409955032 26.982 > 59 60 Al 0.50595512602343 0.23768979987447 0.39832409955032 26.982 > 60 *61 Al 0.25393116730632 0.25152019076848 0.74215211757674 26.982 > 61 62 Al 0.74606883269368 0.74847980923152 0.24215211757674 26.982 > 62 63 Al 0.75393116730632 0.24847980923152 0.74215211757674 26.982 > 63 64 Al 0.24606883269368 0.75152019076848 0.24215211757674 26.982 > 64 *65 Sr 0.13398184821805 0.75257177360213 0.63996051526096 87.620 > 65 66 Sr 0.86601815178195 0.24742822639787 0.13996051526096 87.620 > 66 67 Sr 0.63398184821805 0.74742822639787 0.63996051526096 87.620 > 67 68 Sr 0.36601815178195 0.25257177360213 0.13996051526096 87.620 > 68 *69 Sr 0.38513967871917 0.75286618123862 0.50237213378169 87.620 > 69 70 Sr 0.61486032128083 0.24713381876138 0.00237213378169 87.620 > 70 71 Sr 0.88513967871917 0.74713381876138 0.50237213378169 87.620 > 71 72 Sr 0.11486032128083 0.25286618123862 0.00237213378169 87.620 > 72 -------------------------------- super cell -------------------------------- Lattice vectors: a 18.241801280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.608299199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.401372090000001 Atomic positions (fractional): *1 F 0.17978566541278 0.48478217022167 0.17286664643514 18.998 > 1 2 F 0.17978566541278 0.98478217022167 0.17286664643514 18.998 > 1 3 F 0.82021433458722 0.01521782977833 0.67286664643514 18.998 > 2 4 F 0.82021433458722 0.51521782977833 0.67286664643514 18.998 > 2 5 F 0.67978566541278 0.26521782977833 0.17286664643514 18.998 > 3 6 F 0.67978566541278 0.76521782977833 0.17286664643514 18.998 > 3 7 F 0.32021433458722 0.23478217022167 0.67286664643514 18.998 > 4 8 F 0.32021433458722 0.73478217022167 0.67286664643514 18.998 > 4 *9 F 0.07536845623584 0.02636822530298 0.46574000549851 18.998 > 5 10 F 0.07536845623584 0.52636822530298 0.46574000549851 18.998 > 5 11 F 0.92463154376416 0.47363177469702 0.96574000549851 18.998 > 6 12 F 0.92463154376416 0.97363177469702 0.96574000549851 18.998 > 6 13 F 0.57536845623584 0.22363177469702 0.46574000549851 18.998 > 7 14 F 0.57536845623584 0.72363177469702 0.46574000549851 18.998 > 7 15 F 0.42463154376416 0.27636822530298 0.96574000549851 18.998 > 8 16 F 0.42463154376416 0.77636822530298 0.96574000549851 18.998 > 8 *17 F 0.20951783651772 0.24093994463405 0.14847675139741 18.998 > 9 18 F 0.20951783651772 0.74093994463405 0.14847675139741 18.998 > 9 19 F 0.79048216348228 0.25906005536595 0.64847675139741 18.998 > 10 20 F 0.79048216348228 0.75906005536595 0.64847675139741 18.998 > 10 21 F 0.70951783651772 0.00906005536595 0.14847675139741 18.998 > 11 22 F 0.70951783651772 0.50906005536595 0.14847675139741 18.998 > 11 23 F 0.29048216348228 0.49093994463405 0.64847675139741 18.998 > 12 24 F 0.29048216348228 0.99093994463405 0.64847675139741 18.998 > 12 *25 F 0.43145412685628 0.41508830586680 0.75000019685596 18.998 > 13 26 F 0.43145412685628 0.91508830586680 0.75000019685596 18.998 > 13 27 F 0.56854587314372 0.08491169413320 0.25000019685596 18.998 > 14 28 F 0.56854587314372 0.58491169413320 0.25000019685596 18.998 > 14 29 F 0.93145412685628 0.33491169413320 0.75000019685596 18.998 > 15 30 F 0.93145412685628 0.83491169413320 0.75000019685596 18.998 > 15 31 F 0.06854587314372 0.16508830586680 0.25000019685596 18.998 > 16 32 F 0.06854587314372 0.66508830586680 0.25000019685596 18.998 > 16 *33 F 0.31116693975984 0.40560414201840 0.10268129758095 18.998 > 17 34 F 0.31116693975984 0.90560414201840 0.10268129758095 18.998 > 17 *35 F 0.05766856280213 0.40567996954984 0.03833746885328 18.998 > 18 36 F 0.05766856280213 0.90567996954984 0.03833746885328 18.998 > 18 37 F 0.68883306024016 0.09439585798160 0.60268129758095 18.998 > 19 38 F 0.68883306024016 0.59439585798160 0.60268129758095 18.998 > 19 39 F 0.18883306024016 0.15560414201840 0.60268129758095 18.998 > 20 40 F 0.18883306024016 0.65560414201840 0.60268129758095 18.998 > 20 *41 F 0.46177278679369 0.01887533697031 0.99365985086095 18.998 > 21 42 F 0.46177278679369 0.51887533697031 0.99365985086095 18.998 > 21 43 F 0.53822721320631 0.48112466302969 0.49365985086095 18.998 > 22 44 F 0.53822721320631 0.98112466302969 0.49365985086095 18.998 > 22 45 F 0.96177278679369 0.23112466302969 0.99365985086095 18.998 > 23 46 F 0.96177278679369 0.73112466302969 0.99365985086095 18.998 > 23 47 F 0.03822721320631 0.26887533697031 0.49365985086095 18.998 > 24 48 F 0.03822721320631 0.76887533697031 0.49365985086095 18.998 > 24 *49 F 0.21003379000308 0.25197718955433 0.84113325645922 18.998 > 25 50 F 0.21003379000308 0.75197718955433 0.84113325645922 18.998 > 25 51 F 0.78996620999693 0.24802281044567 0.34113325645922 18.998 > 26 52 F 0.78996620999693 0.74802281044567 0.34113325645922 18.998 > 26 53 F 0.71003379000307 0.49802281044567 0.84113325645922 18.998 > 27 54 F 0.71003379000307 0.99802281044567 0.84113325645922 18.998 > 27 55 F 0.28996620999693 0.00197718955433 0.34113325645922 18.998 > 28 56 F 0.28996620999693 0.50197718955433 0.34113325645922 18.998 > 28 *57 F 0.18300286211364 0.34822476376289 0.39079380984592 18.998 > 29 58 F 0.18300286211364 0.84822476376289 0.39079380984592 18.998 > 29 59 F 0.81699713788636 0.15177523623711 0.89079380984592 18.998 > 30 60 F 0.81699713788636 0.65177523623711 0.89079380984592 18.998 > 30 61 F 0.68300286211364 0.40177523623711 0.39079380984592 18.998 > 31 62 F 0.68300286211364 0.90177523623711 0.39079380984592 18.998 > 31 63 F 0.31699713788636 0.09822476376289 0.89079380984592 18.998 > 32 64 F 0.31699713788636 0.59822476376289 0.89079380984592 18.998 > 32 *65 F 0.18985330632711 0.01513472406509 0.82634667790947 18.998 > 33 66 F 0.18985330632711 0.51513472406509 0.82634667790947 18.998 > 33 67 F 0.81014669367289 0.48486527593491 0.32634667790947 18.998 > 34 68 F 0.81014669367289 0.98486527593491 0.32634667790947 18.998 > 34 69 F 0.68985330632711 0.23486527593491 0.82634667790947 18.998 > 35 70 F 0.68985330632711 0.73486527593491 0.82634667790947 18.998 > 35 71 F 0.31014669367289 0.26513472406509 0.32634667790947 18.998 > 36 72 F 0.31014669367289 0.76513472406509 0.32634667790947 18.998 > 36 *73 F 0.06041114895027 0.26192701128572 0.81605223764080 18.998 > 37 74 F 0.06041114895027 0.76192701128572 0.81605223764080 18.998 > 37 75 F 0.93958885104973 0.23807298871428 0.31605223764080 18.998 > 38 76 F 0.93958885104973 0.73807298871428 0.31605223764080 18.998 > 38 77 F 0.56041114895027 0.48807298871428 0.81605223764080 18.998 > 39 78 F 0.56041114895027 0.98807298871428 0.81605223764080 18.998 > 39 79 F 0.43958885104973 0.01192701128572 0.31605223764080 18.998 > 40 80 F 0.43958885104973 0.51192701128572 0.31605223764080 18.998 > 40 *81 F 0.46381607097210 0.24537358277783 0.29611369140412 18.998 > 41 82 F 0.46381607097210 0.74537358277783 0.29611369140412 18.998 > 41 83 F 0.53618392902790 0.25462641722217 0.79611369140412 18.998 > 42 84 F 0.53618392902790 0.75462641722217 0.79611369140412 18.998 > 42 85 F 0.96381607097210 0.00462641722217 0.29611369140412 18.998 > 43 86 F 0.96381607097210 0.50462641722217 0.29611369140412 18.998 > 43 87 F 0.03618392902790 0.49537358277783 0.79611369140412 18.998 > 44 88 F 0.03618392902790 0.99537358277783 0.79611369140412 18.998 > 44 89 F 0.44233143719787 0.15567996954985 0.53833746885328 18.998 > 45 90 F 0.44233143719787 0.65567996954984 0.53833746885328 18.998 > 45 91 F 0.55766856280213 0.34432003045016 0.03833746885328 18.998 > 46 92 F 0.55766856280213 0.84432003045016 0.03833746885328 18.998 > 46 93 F 0.94233143719787 0.09432003045015 0.53833746885328 18.998 > 47 94 F 0.94233143719787 0.59432003045016 0.53833746885328 18.998 > 47 95 F 0.81116693975984 0.34439585798160 0.10268129758095 18.998 > 48 96 F 0.81116693975984 0.84439585798160 0.10268129758095 18.998 > 48 *97 Na 0.31315945613335 0.37762986288457 0.86834829331927 22.990 > 49 98 Na 0.31315945613335 0.87762986288457 0.86834829331927 22.990 > 49 99 Na 0.68684054386665 0.12237013711543 0.36834829331927 22.990 > 50 100 Na 0.68684054386665 0.62237013711543 0.36834829331927 22.990 > 50 101 Na 0.81315945613335 0.37237013711543 0.86834829331927 22.990 > 51 102 Na 0.81315945613335 0.87237013711543 0.86834829331927 22.990 > 51 103 Na 0.18684054386665 0.12762986288457 0.36834829331927 22.990 > 52 104 Na 0.18684054386665 0.62762986288457 0.36834829331927 22.990 > 52 *105 Na 0.43323648042445 0.13129677077171 0.77284100976930 22.990 > 53 106 Na 0.43323648042445 0.63129677077171 0.77284100976930 22.990 > 53 107 Na 0.56676351957555 0.36870322922829 0.27284100976930 22.990 > 54 108 Na 0.56676351957555 0.86870322922829 0.27284100976930 22.990 > 54 109 Na 0.93323648042445 0.11870322922829 0.77284100976930 22.990 > 55 110 Na 0.93323648042445 0.61870322922829 0.77284100976930 22.990 > 55 111 Na 0.06676351957555 0.38129677077171 0.27284100976930 22.990 > 56 112 Na 0.06676351957555 0.88129677077171 0.27284100976930 22.990 > 56 *113 Al 0.99404487397657 0.36884489993723 0.89832409955032 26.982 > 57 114 Al 0.99404487397657 0.86884489993723 0.89832409955032 26.982 > 57 115 Al 0.00595512602343 0.13115510006277 0.39832409955032 26.982 > 58 116 Al 0.00595512602343 0.63115510006277 0.39832409955032 26.982 > 58 117 Al 0.49404487397657 0.38115510006277 0.89832409955032 26.982 > 59 118 Al 0.49404487397657 0.88115510006277 0.89832409955032 26.982 > 59 119 Al 0.50595512602343 0.11884489993723 0.39832409955032 26.982 > 60 120 Al 0.50595512602343 0.61884489993723 0.39832409955032 26.982 > 60 *121 Al 0.25393116730632 0.12576009538424 0.74215211757674 26.982 > 61 122 Al 0.25393116730632 0.62576009538424 0.74215211757674 26.982 > 61 123 Al 0.74606883269368 0.37423990461576 0.24215211757674 26.982 > 62 124 Al 0.74606883269368 0.87423990461576 0.24215211757674 26.982 > 62 125 Al 0.75393116730632 0.12423990461576 0.74215211757674 26.982 > 63 126 Al 0.75393116730632 0.62423990461576 0.74215211757674 26.982 > 63 127 Al 0.24606883269368 0.37576009538424 0.24215211757674 26.982 > 64 128 Al 0.24606883269368 0.87576009538424 0.24215211757674 26.982 > 64 *129 Sr 0.13398184821805 0.37628588680107 0.63996051526096 87.620 > 65 130 Sr 0.13398184821805 0.87628588680107 0.63996051526096 87.620 > 65 131 Sr 0.86601815178195 0.12371411319893 0.13996051526096 87.620 > 66 132 Sr 0.86601815178195 0.62371411319893 0.13996051526096 87.620 > 66 133 Sr 0.63398184821805 0.37371411319893 0.63996051526096 87.620 > 67 134 Sr 0.63398184821805 0.87371411319893 0.63996051526096 87.620 > 67 135 Sr 0.36601815178195 0.12628588680107 0.13996051526096 87.620 > 68 136 Sr 0.36601815178195 0.62628588680107 0.13996051526096 87.620 > 68 *137 Sr 0.38513967871917 0.37643309061931 0.50237213378169 87.620 > 69 138 Sr 0.38513967871917 0.87643309061931 0.50237213378169 87.620 > 69 139 Sr 0.61486032128083 0.12356690938069 0.00237213378169 87.620 > 70 140 Sr 0.61486032128083 0.62356690938069 0.00237213378169 87.620 > 70 141 Sr 0.88513967871917 0.37356690938069 0.50237213378169 87.620 > 71 142 Sr 0.88513967871917 0.87356690938069 0.50237213378169 87.620 > 71 143 Sr 0.11486032128083 0.12643309061931 0.00237213378169 87.620 > 72 144 Sr 0.11486032128083 0.62643309061931 0.00237213378169 87.620 > 72 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0822468 0.0000000 0.0000000 0.0000000 2.0942501 0.0000000 0.0000000 0.0000000 2.1031097 -------------------------- Born effective charges -------------------------- 1 F -1.0808528 0.2462214 -0.1853165 0.2530882 -1.0800785 0.2178440 -0.2044361 0.2226024 -0.9724655 2 F -1.0808528 0.2462214 0.1853165 0.2530882 -1.0800785 -0.2178440 0.2044361 -0.2226024 -0.9724655 3 F -1.0808528 -0.2462214 -0.1853165 -0.2530882 -1.0800785 -0.2178440 -0.2044361 -0.2226024 -0.9724655 4 F -1.0808528 -0.2462214 0.1853165 -0.2530882 -1.0800785 0.2178440 0.2044361 0.2226024 -0.9724655 5 F -1.0781473 0.2378930 -0.1751606 0.2469942 -1.0750449 0.2160761 -0.1947449 0.2135269 -0.9681158 6 F -1.0781473 0.2378930 0.1751606 0.2469942 -1.0750449 -0.2160761 0.1947449 -0.2135269 -0.9681158 7 F -1.0781473 -0.2378930 -0.1751606 -0.2469942 -1.0750449 -0.2160761 -0.1947449 -0.2135269 -0.9681158 8 F -1.0781473 -0.2378930 0.1751606 -0.2469942 -1.0750449 0.2160761 0.1947449 0.2135269 -0.9681158 9 F -1.0672345 -0.1882832 -0.1729384 -0.2108918 -1.1355663 -0.2445026 -0.1835300 -0.2406248 -0.9916962 10 F -1.0672345 -0.1882832 0.1729384 -0.2108918 -1.1355663 0.2445026 0.1835300 0.2406248 -0.9916962 11 F -1.0672345 0.1882832 -0.1729384 0.2108918 -1.1355663 0.2445026 -0.1835300 0.2406248 -0.9916962 12 F -1.0672345 0.1882832 0.1729384 0.2108918 -1.1355663 -0.2445026 0.1835300 -0.2406248 -0.9916962 13 F -1.0325125 0.0304970 -0.3054629 0.0244950 -0.8564694 0.0212315 -0.2890979 0.0256183 -1.2954169 14 F -1.0325125 0.0304970 0.3054629 0.0244950 -0.8564694 -0.0212315 0.2890979 -0.0256183 -1.2954169 15 F -1.0325125 -0.0304970 -0.3054629 -0.0244950 -0.8564694 -0.0212315 -0.2890979 -0.0256183 -1.2954169 16 F -1.0325125 -0.0304970 0.3054629 -0.0244950 -0.8564694 0.0212315 0.2890979 0.0256183 -1.2954169 17 F -0.9578979 -0.1233292 0.1783483 -0.1329980 -1.0727442 0.0386053 0.1718933 0.0237027 -1.0166995 18 F -0.9546794 -0.1419585 -0.1808725 -0.1284203 -1.0758177 -0.0532527 -0.1743833 -0.0354597 -1.0214406 19 F -0.9578979 -0.1233292 -0.1783483 -0.1329980 -1.0727442 -0.0386053 -0.1718933 -0.0237027 -1.0166995 20 F -0.9578979 0.1233292 -0.1783483 0.1329980 -1.0727442 0.0386053 -0.1718933 0.0237027 -1.0166995 21 F -1.0757262 0.1782029 0.1747544 0.1916155 -1.1351581 -0.2455028 0.1849255 -0.2498646 -0.9973773 22 F -1.0757262 0.1782029 -0.1747544 0.1916155 -1.1351581 0.2455028 -0.1849255 0.2498646 -0.9973773 23 F -1.0757262 -0.1782029 0.1747544 -0.1916155 -1.1351581 0.2455028 0.1849255 0.2498646 -0.9973773 24 F -1.0757262 -0.1782029 -0.1747544 -0.1916155 -1.1351581 -0.2455028 -0.1849255 -0.2498646 -0.9973773 25 F -1.0230008 0.0955600 0.0904308 0.0742970 -1.0645429 0.0138709 0.0918639 0.0127233 -0.9937467 26 F -1.0230008 0.0955600 -0.0904308 0.0742970 -1.0645429 -0.0138709 -0.0918639 -0.0127233 -0.9937467 27 F -1.0230008 -0.0955600 0.0904308 -0.0742970 -1.0645429 -0.0138709 0.0918639 -0.0127233 -0.9937467 28 F -1.0230008 -0.0955600 -0.0904308 -0.0742970 -1.0645429 0.0138709 -0.0918639 0.0127233 -0.9937467 29 F -1.0383413 -0.0194719 0.3048694 -0.0243598 -0.8509508 0.0276033 0.2951128 0.0270273 -1.2884601 30 F -1.0383413 -0.0194719 -0.3048694 -0.0243598 -0.8509508 -0.0276033 -0.2951128 -0.0270273 -1.2884601 31 F -1.0383413 0.0194719 0.3048694 0.0243598 -0.8509508 -0.0276033 0.2951128 -0.0270273 -1.2884601 32 F -1.0383413 0.0194719 -0.3048694 0.0243598 -0.8509508 0.0276033 -0.2951128 0.0270273 -1.2884601 33 F -1.0890747 -0.1482522 0.1689254 -0.1372121 -1.0753447 -0.1344023 0.1611512 -0.1347125 -1.0647519 34 F -1.0890747 -0.1482522 -0.1689254 -0.1372121 -1.0753447 0.1344023 -0.1611512 0.1347125 -1.0647519 35 F -1.0890747 0.1482522 0.1689254 0.1372121 -1.0753447 0.1344023 0.1611512 0.1347125 -1.0647519 36 F -1.0890747 0.1482522 -0.1689254 0.1372121 -1.0753447 -0.1344023 -0.1611512 -0.1347125 -1.0647519 37 F -1.0918308 0.1512669 0.1614724 0.1404230 -1.0636343 0.1483187 0.1521228 0.1569902 -1.0711762 38 F -1.0918308 0.1512669 -0.1614724 0.1404230 -1.0636343 -0.1483187 -0.1521228 -0.1569902 -1.0711762 39 F -1.0918308 -0.1512669 0.1614724 -0.1404230 -1.0636343 -0.1483187 0.1521228 -0.1569902 -1.0711762 40 F -1.0918308 -0.1512669 -0.1614724 -0.1404230 -1.0636343 0.1483187 -0.1521228 0.1569902 -1.0711762 41 F -1.0245780 0.0777680 -0.1089287 0.0600053 -1.0577339 -0.0068708 -0.1093854 0.0060896 -0.9931325 42 F -1.0245780 0.0777680 0.1089287 0.0600053 -1.0577339 0.0068708 0.1093854 -0.0060896 -0.9931325 43 F -1.0245780 -0.0777680 -0.1089287 -0.0600053 -1.0577339 0.0068708 -0.1093854 -0.0060896 -0.9931325 44 F -1.0245780 -0.0777680 0.1089287 -0.0600053 -1.0577339 -0.0068708 0.1093854 0.0060896 -0.9931325 45 F -0.9546794 0.1419585 0.1808725 0.1284203 -1.0758177 -0.0532527 0.1743833 -0.0354597 -1.0214406 46 F -0.9546794 0.1419585 -0.1808725 0.1284203 -1.0758177 0.0532527 -0.1743833 0.0354597 -1.0214406 47 F -0.9546794 -0.1419585 0.1808725 -0.1284203 -1.0758177 0.0532527 0.1743833 0.0354597 -1.0214406 48 F -0.9578979 0.1233292 0.1783483 0.1329980 -1.0727442 -0.0386053 0.1718933 -0.0237027 -1.0166995 49 Na 1.0807255 -0.0065220 0.0250485 -0.0078960 1.0863653 0.0085550 0.0224042 0.0101516 1.0674247 50 Na 1.0807255 -0.0065220 -0.0250485 -0.0078960 1.0863653 -0.0085550 -0.0224042 -0.0101516 1.0674247 51 Na 1.0807255 0.0065220 0.0250485 0.0078960 1.0863653 -0.0085550 0.0224042 -0.0101516 1.0674247 52 Na 1.0807255 0.0065220 -0.0250485 0.0078960 1.0863653 0.0085550 -0.0224042 0.0101516 1.0674247 53 Na 1.0800735 -0.0039423 0.0223967 -0.0051290 1.0814394 -0.0114246 0.0182080 -0.0063288 1.0651854 54 Na 1.0800735 -0.0039423 -0.0223967 -0.0051290 1.0814394 0.0114246 -0.0182080 0.0063288 1.0651854 55 Na 1.0800735 0.0039423 0.0223967 0.0051290 1.0814394 0.0114246 0.0182080 0.0063288 1.0651854 56 Na 1.0800735 0.0039423 -0.0223967 0.0051290 1.0814394 -0.0114246 -0.0182080 -0.0063288 1.0651854 57 Al 2.8308876 0.0193640 -0.0166196 -0.0148192 2.7474927 0.0310308 0.0089562 0.0120870 2.6713991 58 Al 2.8308876 0.0193640 0.0166196 -0.0148192 2.7474927 -0.0310308 -0.0089562 -0.0120870 2.6713991 59 Al 2.8308876 -0.0193640 -0.0166196 0.0148192 2.7474927 -0.0310308 0.0089562 -0.0120870 2.6713991 60 Al 2.8308876 -0.0193640 0.0166196 0.0148192 2.7474927 0.0310308 -0.0089562 0.0120870 2.6713991 61 Al 2.8339467 -0.0123402 -0.0169204 -0.0012373 2.7518770 -0.0251641 0.0112339 -0.0254924 2.6534906 62 Al 2.8339467 -0.0123402 0.0169204 -0.0012373 2.7518770 0.0251641 -0.0112339 0.0254924 2.6534906 63 Al 2.8339467 0.0123402 -0.0169204 0.0012373 2.7518770 0.0251641 0.0112339 0.0254924 2.6534906 64 Al 2.8339467 0.0123402 0.0169204 0.0012373 2.7518770 -0.0251641 -0.0112339 -0.0254924 2.6534906 65 Sr 2.3370292 -0.0225108 0.0359714 0.0171326 2.4417155 0.0093105 0.0299165 0.0100988 2.6037160 66 Sr 2.3370292 -0.0225108 -0.0359714 0.0171326 2.4417155 -0.0093105 -0.0299165 -0.0100988 2.6037160 67 Sr 2.3370292 0.0225108 0.0359714 -0.0171326 2.4417155 -0.0093105 0.0299165 -0.0100988 2.6037160 68 Sr 2.3370292 0.0225108 -0.0359714 -0.0171326 2.4417155 0.0093105 -0.0299165 0.0100988 2.6037160 69 Sr 2.3512137 0.0119777 -0.0365042 -0.0041592 2.4341959 -0.0483825 -0.0315018 -0.0278152 2.6132635 70 Sr 2.3512137 0.0119777 0.0365042 -0.0041592 2.4341959 0.0483825 0.0315018 0.0278152 2.6132635 71 Sr 2.3512137 -0.0119777 -0.0365042 0.0041592 2.4341959 0.0483825 -0.0315018 0.0278152 2.6132635 72 Sr 2.3512137 -0.0119777 0.0365042 0.0041592 2.4341959 -0.0483825 0.0315018 -0.0278152 2.6132635 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 234 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 67 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 236 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 68 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 152 (1) Compute compressed projector. (1) Use standard solver. (1) 116 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 110 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 110), data: (2592, 146) @ (146, 110) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 214), data: True |-- (250, 218), data: True |-- (2592, 2556), data: False |-- (2592, 116), data: (2592, 152) @ (152, 116) |-- (592, 560), data: False |-- (592, 38), data: (592, 70) @ (70, 38) |-- (92, 68), data: True |-- (250, 218), data: True |-- (250, 236), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 31), data: (500, 67) @ (67, 31) |-- (250, 214), data: True |-- (250, 219), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 560), data: False |-- (592, 30), data: (592, 62) @ (62, 30) |-- (92, 78), data: True |-- (250, 218), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 2160 - Time: 3.994 Solver_block: 200 / 2160 - Time: 3.469 Solver_block: 300 / 2160 - Time: 3.472 Solver_block: 400 / 2160 - Time: 3.477 Solver_block: 500 / 2160 - Time: 3.468 Solver_block: 600 / 2160 - Time: 3.468 Solver_block: 700 / 2160 - Time: 3.475 Solver_block: 800 / 2160 - Time: 3.471 Solver_block: 900 / 2160 - Time: 3.473 Solver_block: 1000 / 2160 - Time: 3.472 Solver_block: 1100 / 2160 - Time: 3.472 Solver_block: 1200 / 2160 - Time: 3.468 Solver_block: 1300 / 2160 - Time: 3.470 Solver_block: 1400 / 2160 - Time: 3.474 Solver_block: 1500 / 2160 - Time: 3.476 Solver_block: 1600 / 2160 - Time: 3.466 Solver_block: 1700 / 2160 - Time: 3.468 Solver_block: 1800 / 2160 - Time: 3.471 Solver_block: 1900 / 2160 - Time: 3.471 Solver_block: 2000 / 2160 - Time: 3.460 Solver_block: 2100 / 2160 - Time: 3.482 Solver_block: 2160 / 2160 - Time: 2.216 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 78.097 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zx) -0.00000000 (zx) Permutation basis: 432/432 Permutation basis: 46872/46872 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 11826 Number of blocks in projector: 11826 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: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 220 eigenvectors found. (2) Block: 500 / 500 (2) 224 eigenvectors found. (2) Complementary block size: 56 (2) Compute compressed projector. (2) Use standard solver. (2) 26 eigenvectors found. (1) 470 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 230 eigenvectors found. (2) Complementary block size: 42 (2) Compute compressed projector. (2) Use standard solver. (2) 20 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 234 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 78 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 154 (1) Compute compressed projector. (1) Use standard solver. (1) 118 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 67 (2) Compute compressed projector. (2) Use standard solver. (2) 31 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 216 eigenvectors found. (2) Block: 500 / 500 (2) 218 eigenvectors found. (2) Complementary block size: 66 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 466 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 222 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 52 (2) Compute compressed projector. (2) Use standard solver. (2) 24 eigenvectors found. (1) 472 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 478 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 236 eigenvectors found. (2) Block: 500 / 592 (2) 218 eigenvectors found. (2) Block: 592 / 592 (2) 68 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 38 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 152 (1) Compute compressed projector. (1) Use standard solver. (1) 116 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 2592 Use submatrix version of eigh solver. (1) Block: 500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 68 (2) Compute compressed projector. (2) Use standard solver. (2) 32 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1000 / 2592 (2) Block: 250 / 500 (2) 214 eigenvectors found. (2) Block: 500 / 500 (2) 216 eigenvectors found. (2) Complementary block size: 70 (2) Compute compressed projector. (2) Use standard solver. (2) 34 eigenvectors found. (1) 464 eigenvectors found. (1) Block: 1500 / 2592 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 220 eigenvectors found. (2) Complementary block size: 62 (2) Compute compressed projector. (2) Use standard solver. (2) 30 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 2000 / 2592 (2) Block: 250 / 500 (2) 226 eigenvectors found. (2) Block: 500 / 500 (2) 228 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 2592 / 2592 (2) Block: 250 / 592 (2) 232 eigenvectors found. (2) Block: 500 / 592 (2) 236 eigenvectors found. (2) Block: 592 / 592 (2) 84 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 574 eigenvectors found. (1) Complementary block size: 146 (1) Compute compressed projector. (1) Use standard solver. (1) 110 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 1350 Use submatrix version of eigh solver. (1) Block: 500 / 1350 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1350 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1350 / 1350 (1) 340 eigenvectors found. (1) Complementary block size: 43 (1) Compute compressed projector. (1) Use standard solver. (1) 25 eigenvectors found. Tree of FC basis block matrices: - (11826, 11664), data: False |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (1350, 1332), data: False |-- (1350, 25), data: (1350, 43) @ (43, 25) |-- (350, 340), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (500, 482), data: False |-- (500, 17), data: (500, 35) @ (35, 17) |-- (250, 233), data: True |-- (250, 232), data: True |-- (2592, 2556), data: False |-- (2592, 110), data: (2592, 146) @ (146, 110) |-- (592, 574), data: False |-- (592, 22), data: (592, 40) @ (40, 22) |-- (92, 84), data: True |-- (250, 236), data: True |-- (250, 232), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 228), data: True |-- (250, 226), data: True |-- (500, 468), data: False |-- (500, 30), data: (500, 62) @ (62, 30) |-- (250, 220), data: True |-- (250, 218), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 216), data: True |-- (250, 214), data: True |-- (500, 464), data: False |-- (500, 32), data: (500, 68) @ (68, 32) |-- (250, 214), data: True |-- (250, 218), data: True |-- (2592, 2556), data: False |-- (2592, 116), data: (2592, 152) @ (152, 116) |-- (592, 560), data: False |-- (592, 38), data: (592, 70) @ (70, 38) |-- (92, 68), data: True |-- (250, 218), data: True |-- (250, 236), data: True |-- (500, 478), data: False |-- (500, 18), data: (500, 40) @ (40, 18) |-- (250, 232), data: True |-- (250, 228), data: True |-- (500, 472), data: False |-- (500, 24), data: (500, 52) @ (52, 24) |-- (250, 226), data: True |-- (250, 222), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 31), data: (500, 67) @ (67, 31) |-- (250, 214), data: True |-- (250, 219), data: True |-- (2592, 2556), data: False |-- (2592, 118), data: (2592, 154) @ (154, 118) |-- (592, 560), data: False |-- (592, 30), data: (592, 62) @ (62, 30) |-- (92, 78), data: True |-- (250, 218), data: True |-- (250, 234), data: True |-- (500, 478), data: False |-- (500, 20), data: (500, 42) @ (42, 20) |-- (250, 230), data: True |-- (250, 228), data: True |-- (500, 470), data: False |-- (500, 26), data: (500, 56) @ (56, 26) |-- (250, 224), data: True |-- (250, 220), data: True |-- (500, 466), data: False |-- (500, 32), data: (500, 66) @ (66, 32) |-- (250, 218), data: True |-- (250, 216), data: True |-- (500, 464), data: False |-- (500, 34), data: (500, 70) @ (70, 34) |-- (250, 214), data: True |-- (250, 216), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zx) -0.00000000 (zx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 00:54:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:54:08]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 18.241801280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.304149599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.401372090000001 Atomic positions (fractional): 1 F 0.17978566541278 0.96956434044333 0.17286664643514 18.998 2 F 0.82021433458722 0.03043565955667 0.67286664643514 18.998 3 F 0.67978566541278 0.53043565955667 0.17286664643514 18.998 4 F 0.32021433458722 0.46956434044333 0.67286664643514 18.998 5 F 0.07536845623584 0.05273645060595 0.46574000549851 18.998 6 F 0.92463154376416 0.94726354939405 0.96574000549851 18.998 7 F 0.57536845623584 0.44726354939405 0.46574000549851 18.998 8 F 0.42463154376416 0.55273645060595 0.96574000549851 18.998 9 F 0.20951783651772 0.48187988926810 0.14847675139741 18.998 10 F 0.79048216348228 0.51812011073190 0.64847675139741 18.998 11 F 0.70951783651772 0.01812011073190 0.14847675139741 18.998 12 F 0.29048216348228 0.98187988926810 0.64847675139741 18.998 13 F 0.43145412685628 0.83017661173359 0.75000019685596 18.998 14 F 0.56854587314372 0.16982338826641 0.25000019685596 18.998 15 F 0.93145412685628 0.66982338826641 0.75000019685596 18.998 16 F 0.06854587314372 0.33017661173359 0.25000019685596 18.998 17 F 0.31116693975984 0.81120828403679 0.10268129758095 18.998 18 F 0.05766856280213 0.81135993909969 0.03833746885328 18.998 19 F 0.68883306024016 0.18879171596321 0.60268129758095 18.998 20 F 0.18883306024016 0.31120828403679 0.60268129758095 18.998 21 F 0.46177278679369 0.03775067394061 0.99365985086095 18.998 22 F 0.53822721320631 0.96224932605939 0.49365985086095 18.998 23 F 0.96177278679369 0.46224932605939 0.99365985086095 18.998 24 F 0.03822721320631 0.53775067394061 0.49365985086095 18.998 25 F 0.21003379000308 0.50395437910866 0.84113325645922 18.998 26 F 0.78996620999693 0.49604562089134 0.34113325645922 18.998 27 F 0.71003379000307 0.99604562089134 0.84113325645922 18.998 28 F 0.28996620999693 0.00395437910866 0.34113325645922 18.998 29 F 0.18300286211364 0.69644952752579 0.39079380984592 18.998 30 F 0.81699713788636 0.30355047247422 0.89079380984592 18.998 31 F 0.68300286211364 0.80355047247421 0.39079380984592 18.998 32 F 0.31699713788636 0.19644952752579 0.89079380984592 18.998 33 F 0.18985330632711 0.03026944813017 0.82634667790947 18.998 34 F 0.81014669367289 0.96973055186983 0.32634667790947 18.998 35 F 0.68985330632711 0.46973055186983 0.82634667790947 18.998 36 F 0.31014669367289 0.53026944813017 0.32634667790947 18.998 37 F 0.06041114895027 0.52385402257144 0.81605223764080 18.998 38 F 0.93958885104973 0.47614597742856 0.31605223764080 18.998 39 F 0.56041114895027 0.97614597742856 0.81605223764080 18.998 40 F 0.43958885104973 0.02385402257144 0.31605223764080 18.998 41 F 0.46381607097210 0.49074716555566 0.29611369140412 18.998 42 F 0.53618392902790 0.50925283444434 0.79611369140412 18.998 43 F 0.96381607097210 0.00925283444434 0.29611369140412 18.998 44 F 0.03618392902790 0.99074716555566 0.79611369140412 18.998 45 F 0.44233143719787 0.31135993909969 0.53833746885328 18.998 46 F 0.55766856280213 0.68864006090031 0.03833746885328 18.998 47 F 0.94233143719787 0.18864006090031 0.53833746885328 18.998 48 F 0.81116693975984 0.68879171596321 0.10268129758095 18.998 49 Na 0.31315945613335 0.75525972576913 0.86834829331927 22.990 50 Na 0.68684054386665 0.24474027423087 0.36834829331927 22.990 51 Na 0.81315945613335 0.74474027423087 0.86834829331927 22.990 52 Na 0.18684054386665 0.25525972576913 0.36834829331927 22.990 53 Na 0.43323648042445 0.26259354154342 0.77284100976930 22.990 54 Na 0.56676351957555 0.73740645845658 0.27284100976930 22.990 55 Na 0.93323648042445 0.23740645845658 0.77284100976930 22.990 56 Na 0.06676351957555 0.76259354154342 0.27284100976930 22.990 57 Al 0.99404487397657 0.73768979987447 0.89832409955032 26.982 58 Al 0.00595512602343 0.26231020012554 0.39832409955032 26.982 59 Al 0.49404487397657 0.76231020012553 0.89832409955032 26.982 60 Al 0.50595512602343 0.23768979987447 0.39832409955032 26.982 61 Al 0.25393116730632 0.25152019076848 0.74215211757674 26.982 62 Al 0.74606883269368 0.74847980923152 0.24215211757674 26.982 63 Al 0.75393116730632 0.24847980923152 0.74215211757674 26.982 64 Al 0.24606883269368 0.75152019076848 0.24215211757674 26.982 65 Sr 0.13398184821805 0.75257177360213 0.63996051526096 87.620 66 Sr 0.86601815178195 0.24742822639787 0.13996051526096 87.620 67 Sr 0.63398184821805 0.74742822639787 0.63996051526096 87.620 68 Sr 0.36601815178195 0.25257177360213 0.13996051526096 87.620 69 Sr 0.38513967871917 0.75286618123862 0.50237213378169 87.620 70 Sr 0.61486032128083 0.24713381876138 0.00237213378169 87.620 71 Sr 0.88513967871917 0.74713381876138 0.50237213378169 87.620 72 Sr 0.11486032128083 0.25286618123862 0.00237213378169 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.241801280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.608299199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.401372090000001 Atomic positions (fractional): 1 F 0.17978566541278 0.48478217022167 0.17286664643514 18.998 > 1 2 F 0.17978566541278 0.98478217022167 0.17286664643514 18.998 > 1 3 F 0.82021433458722 0.01521782977833 0.67286664643514 18.998 > 3 4 F 0.82021433458722 0.51521782977833 0.67286664643514 18.998 > 3 5 F 0.67978566541278 0.26521782977833 0.17286664643514 18.998 > 5 6 F 0.67978566541278 0.76521782977833 0.17286664643514 18.998 > 5 7 F 0.32021433458722 0.23478217022167 0.67286664643514 18.998 > 7 8 F 0.32021433458722 0.73478217022167 0.67286664643514 18.998 > 7 9 F 0.07536845623584 0.02636822530298 0.46574000549851 18.998 > 9 10 F 0.07536845623584 0.52636822530298 0.46574000549851 18.998 > 9 11 F 0.92463154376416 0.47363177469702 0.96574000549851 18.998 > 11 12 F 0.92463154376416 0.97363177469702 0.96574000549851 18.998 > 11 13 F 0.57536845623584 0.22363177469702 0.46574000549851 18.998 > 13 14 F 0.57536845623584 0.72363177469702 0.46574000549851 18.998 > 13 15 F 0.42463154376416 0.27636822530298 0.96574000549851 18.998 > 15 16 F 0.42463154376416 0.77636822530298 0.96574000549851 18.998 > 15 17 F 0.20951783651772 0.24093994463405 0.14847675139741 18.998 > 17 18 F 0.20951783651772 0.74093994463405 0.14847675139741 18.998 > 17 19 F 0.79048216348228 0.25906005536595 0.64847675139741 18.998 > 19 20 F 0.79048216348228 0.75906005536595 0.64847675139741 18.998 > 19 21 F 0.70951783651772 0.00906005536595 0.14847675139741 18.998 > 21 22 F 0.70951783651772 0.50906005536595 0.14847675139741 18.998 > 21 23 F 0.29048216348228 0.49093994463405 0.64847675139741 18.998 > 23 24 F 0.29048216348228 0.99093994463405 0.64847675139741 18.998 > 23 25 F 0.43145412685628 0.41508830586680 0.75000019685596 18.998 > 25 26 F 0.43145412685628 0.91508830586680 0.75000019685596 18.998 > 25 27 F 0.56854587314372 0.08491169413320 0.25000019685596 18.998 > 27 28 F 0.56854587314372 0.58491169413320 0.25000019685596 18.998 > 27 29 F 0.93145412685628 0.33491169413320 0.75000019685596 18.998 > 29 30 F 0.93145412685628 0.83491169413320 0.75000019685596 18.998 > 29 31 F 0.06854587314372 0.16508830586680 0.25000019685596 18.998 > 31 32 F 0.06854587314372 0.66508830586680 0.25000019685596 18.998 > 31 33 F 0.31116693975984 0.40560414201840 0.10268129758095 18.998 > 33 34 F 0.31116693975984 0.90560414201840 0.10268129758095 18.998 > 33 35 F 0.05766856280213 0.40567996954984 0.03833746885328 18.998 > 35 36 F 0.05766856280213 0.90567996954984 0.03833746885328 18.998 > 35 37 F 0.68883306024016 0.09439585798160 0.60268129758095 18.998 > 37 38 F 0.68883306024016 0.59439585798160 0.60268129758095 18.998 > 37 39 F 0.18883306024016 0.15560414201840 0.60268129758095 18.998 > 39 40 F 0.18883306024016 0.65560414201840 0.60268129758095 18.998 > 39 41 F 0.46177278679369 0.01887533697031 0.99365985086095 18.998 > 41 42 F 0.46177278679369 0.51887533697031 0.99365985086095 18.998 > 41 43 F 0.53822721320631 0.48112466302969 0.49365985086095 18.998 > 43 44 F 0.53822721320631 0.98112466302969 0.49365985086095 18.998 > 43 45 F 0.96177278679369 0.23112466302969 0.99365985086095 18.998 > 45 46 F 0.96177278679369 0.73112466302969 0.99365985086095 18.998 > 45 47 F 0.03822721320631 0.26887533697031 0.49365985086095 18.998 > 47 48 F 0.03822721320631 0.76887533697031 0.49365985086095 18.998 > 47 49 F 0.21003379000308 0.25197718955433 0.84113325645922 18.998 > 49 50 F 0.21003379000308 0.75197718955433 0.84113325645922 18.998 > 49 51 F 0.78996620999693 0.24802281044567 0.34113325645922 18.998 > 51 52 F 0.78996620999693 0.74802281044567 0.34113325645922 18.998 > 51 53 F 0.71003379000307 0.49802281044567 0.84113325645922 18.998 > 53 54 F 0.71003379000307 0.99802281044567 0.84113325645922 18.998 > 53 55 F 0.28996620999693 0.00197718955433 0.34113325645922 18.998 > 55 56 F 0.28996620999693 0.50197718955433 0.34113325645922 18.998 > 55 57 F 0.18300286211364 0.34822476376289 0.39079380984592 18.998 > 57 58 F 0.18300286211364 0.84822476376289 0.39079380984592 18.998 > 57 59 F 0.81699713788636 0.15177523623711 0.89079380984592 18.998 > 59 60 F 0.81699713788636 0.65177523623711 0.89079380984592 18.998 > 59 61 F 0.68300286211364 0.40177523623711 0.39079380984592 18.998 > 61 62 F 0.68300286211364 0.90177523623711 0.39079380984592 18.998 > 61 63 F 0.31699713788636 0.09822476376289 0.89079380984592 18.998 > 63 64 F 0.31699713788636 0.59822476376289 0.89079380984592 18.998 > 63 65 F 0.18985330632711 0.01513472406509 0.82634667790947 18.998 > 65 66 F 0.18985330632711 0.51513472406509 0.82634667790947 18.998 > 65 67 F 0.81014669367289 0.48486527593491 0.32634667790947 18.998 > 67 68 F 0.81014669367289 0.98486527593491 0.32634667790947 18.998 > 67 69 F 0.68985330632711 0.23486527593491 0.82634667790947 18.998 > 69 70 F 0.68985330632711 0.73486527593491 0.82634667790947 18.998 > 69 71 F 0.31014669367289 0.26513472406509 0.32634667790947 18.998 > 71 72 F 0.31014669367289 0.76513472406509 0.32634667790947 18.998 > 71 73 F 0.06041114895027 0.26192701128572 0.81605223764080 18.998 > 73 74 F 0.06041114895027 0.76192701128572 0.81605223764080 18.998 > 73 75 F 0.93958885104973 0.23807298871428 0.31605223764080 18.998 > 75 76 F 0.93958885104973 0.73807298871428 0.31605223764080 18.998 > 75 77 F 0.56041114895027 0.48807298871428 0.81605223764080 18.998 > 77 78 F 0.56041114895027 0.98807298871428 0.81605223764080 18.998 > 77 79 F 0.43958885104973 0.01192701128572 0.31605223764080 18.998 > 79 80 F 0.43958885104973 0.51192701128572 0.31605223764080 18.998 > 79 81 F 0.46381607097210 0.24537358277783 0.29611369140412 18.998 > 81 82 F 0.46381607097210 0.74537358277783 0.29611369140412 18.998 > 81 83 F 0.53618392902790 0.25462641722217 0.79611369140412 18.998 > 83 84 F 0.53618392902790 0.75462641722217 0.79611369140412 18.998 > 83 85 F 0.96381607097210 0.00462641722217 0.29611369140412 18.998 > 85 86 F 0.96381607097210 0.50462641722217 0.29611369140412 18.998 > 85 87 F 0.03618392902790 0.49537358277783 0.79611369140412 18.998 > 87 88 F 0.03618392902790 0.99537358277783 0.79611369140412 18.998 > 87 89 F 0.44233143719787 0.15567996954985 0.53833746885328 18.998 > 89 90 F 0.44233143719787 0.65567996954984 0.53833746885328 18.998 > 89 91 F 0.55766856280213 0.34432003045016 0.03833746885328 18.998 > 91 92 F 0.55766856280213 0.84432003045016 0.03833746885328 18.998 > 91 93 F 0.94233143719787 0.09432003045015 0.53833746885328 18.998 > 93 94 F 0.94233143719787 0.59432003045016 0.53833746885328 18.998 > 93 95 F 0.81116693975984 0.34439585798160 0.10268129758095 18.998 > 95 96 F 0.81116693975984 0.84439585798160 0.10268129758095 18.998 > 95 97 Na 0.31315945613335 0.37762986288457 0.86834829331927 22.990 > 97 98 Na 0.31315945613335 0.87762986288457 0.86834829331927 22.990 > 97 99 Na 0.68684054386665 0.12237013711543 0.36834829331927 22.990 > 99 100 Na 0.68684054386665 0.62237013711543 0.36834829331927 22.990 > 99 101 Na 0.81315945613335 0.37237013711543 0.86834829331927 22.990 > 101 102 Na 0.81315945613335 0.87237013711543 0.86834829331927 22.990 > 101 103 Na 0.18684054386665 0.12762986288457 0.36834829331927 22.990 > 103 104 Na 0.18684054386665 0.62762986288457 0.36834829331927 22.990 > 103 105 Na 0.43323648042445 0.13129677077171 0.77284100976930 22.990 > 105 106 Na 0.43323648042445 0.63129677077171 0.77284100976930 22.990 > 105 107 Na 0.56676351957555 0.36870322922829 0.27284100976930 22.990 > 107 108 Na 0.56676351957555 0.86870322922829 0.27284100976930 22.990 > 107 109 Na 0.93323648042445 0.11870322922829 0.77284100976930 22.990 > 109 110 Na 0.93323648042445 0.61870322922829 0.77284100976930 22.990 > 109 111 Na 0.06676351957555 0.38129677077171 0.27284100976930 22.990 > 111 112 Na 0.06676351957555 0.88129677077171 0.27284100976930 22.990 > 111 113 Al 0.99404487397657 0.36884489993723 0.89832409955032 26.982 > 113 114 Al 0.99404487397657 0.86884489993723 0.89832409955032 26.982 > 113 115 Al 0.00595512602343 0.13115510006277 0.39832409955032 26.982 > 115 116 Al 0.00595512602343 0.63115510006277 0.39832409955032 26.982 > 115 117 Al 0.49404487397657 0.38115510006277 0.89832409955032 26.982 > 117 118 Al 0.49404487397657 0.88115510006277 0.89832409955032 26.982 > 117 119 Al 0.50595512602343 0.11884489993723 0.39832409955032 26.982 > 119 120 Al 0.50595512602343 0.61884489993723 0.39832409955032 26.982 > 119 121 Al 0.25393116730632 0.12576009538424 0.74215211757674 26.982 > 121 122 Al 0.25393116730632 0.62576009538424 0.74215211757674 26.982 > 121 123 Al 0.74606883269368 0.37423990461576 0.24215211757674 26.982 > 123 124 Al 0.74606883269368 0.87423990461576 0.24215211757674 26.982 > 123 125 Al 0.75393116730632 0.12423990461576 0.74215211757674 26.982 > 125 126 Al 0.75393116730632 0.62423990461576 0.74215211757674 26.982 > 125 127 Al 0.24606883269368 0.37576009538424 0.24215211757674 26.982 > 127 128 Al 0.24606883269368 0.87576009538424 0.24215211757674 26.982 > 127 129 Sr 0.13398184821805 0.37628588680107 0.63996051526096 87.620 > 129 130 Sr 0.13398184821805 0.87628588680107 0.63996051526096 87.620 > 129 131 Sr 0.86601815178195 0.12371411319893 0.13996051526096 87.620 > 131 132 Sr 0.86601815178195 0.62371411319893 0.13996051526096 87.620 > 131 133 Sr 0.63398184821805 0.37371411319893 0.63996051526096 87.620 > 133 134 Sr 0.63398184821805 0.87371411319893 0.63996051526096 87.620 > 133 135 Sr 0.36601815178195 0.12628588680107 0.13996051526096 87.620 > 135 136 Sr 0.36601815178195 0.62628588680107 0.13996051526096 87.620 > 135 137 Sr 0.38513967871917 0.37643309061931 0.50237213378169 87.620 > 137 138 Sr 0.38513967871917 0.87643309061931 0.50237213378169 87.620 > 137 139 Sr 0.61486032128083 0.12356690938069 0.00237213378169 87.620 > 139 140 Sr 0.61486032128083 0.62356690938069 0.00237213378169 87.620 > 139 141 Sr 0.88513967871917 0.37356690938069 0.50237213378169 87.620 > 141 142 Sr 0.88513967871917 0.87356690938069 0.50237213378169 87.620 > 141 143 Sr 0.11486032128083 0.12643309061931 0.00237213378169 87.620 > 143 144 Sr 0.11486032128083 0.62643309061931 0.00237213378169 87.620 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.0822468 0.0000000 0.0000000 0.0000000 2.0942501 0.0000000 0.0000000 0.0000000 2.1031097 -------------------------- Born effective charges -------------------------- 1 F -1.0808528 0.2462214 -0.1853165 0.2530882 -1.0800785 0.2178440 -0.2044361 0.2226024 -0.9724655 2 F -1.0808528 0.2462214 0.1853165 0.2530882 -1.0800785 -0.2178440 0.2044361 -0.2226024 -0.9724655 3 F -1.0808528 -0.2462214 -0.1853165 -0.2530882 -1.0800785 -0.2178440 -0.2044361 -0.2226024 -0.9724655 4 F -1.0808528 -0.2462214 0.1853165 -0.2530882 -1.0800785 0.2178440 0.2044361 0.2226024 -0.9724655 5 F -1.0781473 0.2378930 -0.1751606 0.2469942 -1.0750449 0.2160761 -0.1947449 0.2135269 -0.9681158 6 F -1.0781473 0.2378930 0.1751606 0.2469942 -1.0750449 -0.2160761 0.1947449 -0.2135269 -0.9681158 7 F -1.0781473 -0.2378930 -0.1751606 -0.2469942 -1.0750449 -0.2160761 -0.1947449 -0.2135269 -0.9681158 8 F -1.0781473 -0.2378930 0.1751606 -0.2469942 -1.0750449 0.2160761 0.1947449 0.2135269 -0.9681158 9 F -1.0672345 -0.1882832 -0.1729384 -0.2108918 -1.1355663 -0.2445026 -0.1835300 -0.2406248 -0.9916962 10 F -1.0672345 -0.1882832 0.1729384 -0.2108918 -1.1355663 0.2445026 0.1835300 0.2406248 -0.9916962 11 F -1.0672345 0.1882832 -0.1729384 0.2108918 -1.1355663 0.2445026 -0.1835300 0.2406248 -0.9916962 12 F -1.0672345 0.1882832 0.1729384 0.2108918 -1.1355663 -0.2445026 0.1835300 -0.2406248 -0.9916962 13 F -1.0325125 0.0304970 -0.3054629 0.0244950 -0.8564694 0.0212315 -0.2890979 0.0256183 -1.2954169 14 F -1.0325125 0.0304970 0.3054629 0.0244950 -0.8564694 -0.0212315 0.2890979 -0.0256183 -1.2954169 15 F -1.0325125 -0.0304970 -0.3054629 -0.0244950 -0.8564694 -0.0212315 -0.2890979 -0.0256183 -1.2954169 16 F -1.0325125 -0.0304970 0.3054629 -0.0244950 -0.8564694 0.0212315 0.2890979 0.0256183 -1.2954169 17 F -0.9578979 -0.1233292 0.1783483 -0.1329980 -1.0727442 0.0386053 0.1718933 0.0237027 -1.0166995 18 F -0.9546794 -0.1419585 -0.1808725 -0.1284203 -1.0758177 -0.0532527 -0.1743833 -0.0354597 -1.0214406 19 F -0.9578979 -0.1233292 -0.1783483 -0.1329980 -1.0727442 -0.0386053 -0.1718933 -0.0237027 -1.0166995 20 F -0.9578979 0.1233292 -0.1783483 0.1329980 -1.0727442 0.0386053 -0.1718933 0.0237027 -1.0166995 21 F -1.0757262 0.1782029 0.1747544 0.1916155 -1.1351581 -0.2455028 0.1849255 -0.2498646 -0.9973773 22 F -1.0757262 0.1782029 -0.1747544 0.1916155 -1.1351581 0.2455028 -0.1849255 0.2498646 -0.9973773 23 F -1.0757262 -0.1782029 0.1747544 -0.1916155 -1.1351581 0.2455028 0.1849255 0.2498646 -0.9973773 24 F -1.0757262 -0.1782029 -0.1747544 -0.1916155 -1.1351581 -0.2455028 -0.1849255 -0.2498646 -0.9973773 25 F -1.0230008 0.0955600 0.0904308 0.0742970 -1.0645429 0.0138709 0.0918639 0.0127233 -0.9937467 26 F -1.0230008 0.0955600 -0.0904308 0.0742970 -1.0645429 -0.0138709 -0.0918639 -0.0127233 -0.9937467 27 F -1.0230008 -0.0955600 0.0904308 -0.0742970 -1.0645429 -0.0138709 0.0918639 -0.0127233 -0.9937467 28 F -1.0230008 -0.0955600 -0.0904308 -0.0742970 -1.0645429 0.0138709 -0.0918639 0.0127233 -0.9937467 29 F -1.0383413 -0.0194719 0.3048694 -0.0243598 -0.8509508 0.0276033 0.2951128 0.0270273 -1.2884601 30 F -1.0383413 -0.0194719 -0.3048694 -0.0243598 -0.8509508 -0.0276033 -0.2951128 -0.0270273 -1.2884601 31 F -1.0383413 0.0194719 0.3048694 0.0243598 -0.8509508 -0.0276033 0.2951128 -0.0270273 -1.2884601 32 F -1.0383413 0.0194719 -0.3048694 0.0243598 -0.8509508 0.0276033 -0.2951128 0.0270273 -1.2884601 33 F -1.0890747 -0.1482522 0.1689254 -0.1372121 -1.0753447 -0.1344023 0.1611512 -0.1347125 -1.0647519 34 F -1.0890747 -0.1482522 -0.1689254 -0.1372121 -1.0753447 0.1344023 -0.1611512 0.1347125 -1.0647519 35 F -1.0890747 0.1482522 0.1689254 0.1372121 -1.0753447 0.1344023 0.1611512 0.1347125 -1.0647519 36 F -1.0890747 0.1482522 -0.1689254 0.1372121 -1.0753447 -0.1344023 -0.1611512 -0.1347125 -1.0647519 37 F -1.0918308 0.1512669 0.1614724 0.1404230 -1.0636343 0.1483187 0.1521228 0.1569902 -1.0711762 38 F -1.0918308 0.1512669 -0.1614724 0.1404230 -1.0636343 -0.1483187 -0.1521228 -0.1569902 -1.0711762 39 F -1.0918308 -0.1512669 0.1614724 -0.1404230 -1.0636343 -0.1483187 0.1521228 -0.1569902 -1.0711762 40 F -1.0918308 -0.1512669 -0.1614724 -0.1404230 -1.0636343 0.1483187 -0.1521228 0.1569902 -1.0711762 41 F -1.0245780 0.0777680 -0.1089287 0.0600053 -1.0577339 -0.0068708 -0.1093854 0.0060896 -0.9931325 42 F -1.0245780 0.0777680 0.1089287 0.0600053 -1.0577339 0.0068708 0.1093854 -0.0060896 -0.9931325 43 F -1.0245780 -0.0777680 -0.1089287 -0.0600053 -1.0577339 0.0068708 -0.1093854 -0.0060896 -0.9931325 44 F -1.0245780 -0.0777680 0.1089287 -0.0600053 -1.0577339 -0.0068708 0.1093854 0.0060896 -0.9931325 45 F -0.9546794 0.1419585 0.1808725 0.1284203 -1.0758177 -0.0532527 0.1743833 -0.0354597 -1.0214406 46 F -0.9546794 0.1419585 -0.1808725 0.1284203 -1.0758177 0.0532527 -0.1743833 0.0354597 -1.0214406 47 F -0.9546794 -0.1419585 0.1808725 -0.1284203 -1.0758177 0.0532527 0.1743833 0.0354597 -1.0214406 48 F -0.9578979 0.1233292 0.1783483 0.1329980 -1.0727442 -0.0386053 0.1718933 -0.0237027 -1.0166995 49 Na 1.0807255 -0.0065220 0.0250485 -0.0078960 1.0863653 0.0085550 0.0224042 0.0101516 1.0674247 50 Na 1.0807255 -0.0065220 -0.0250485 -0.0078960 1.0863653 -0.0085550 -0.0224042 -0.0101516 1.0674247 51 Na 1.0807255 0.0065220 0.0250485 0.0078960 1.0863653 -0.0085550 0.0224042 -0.0101516 1.0674247 52 Na 1.0807255 0.0065220 -0.0250485 0.0078960 1.0863653 0.0085550 -0.0224042 0.0101516 1.0674247 53 Na 1.0800735 -0.0039423 0.0223967 -0.0051290 1.0814394 -0.0114246 0.0182080 -0.0063288 1.0651854 54 Na 1.0800735 -0.0039423 -0.0223967 -0.0051290 1.0814394 0.0114246 -0.0182080 0.0063288 1.0651854 55 Na 1.0800735 0.0039423 0.0223967 0.0051290 1.0814394 0.0114246 0.0182080 0.0063288 1.0651854 56 Na 1.0800735 0.0039423 -0.0223967 0.0051290 1.0814394 -0.0114246 -0.0182080 -0.0063288 1.0651854 57 Al 2.8308876 0.0193640 -0.0166196 -0.0148192 2.7474927 0.0310308 0.0089562 0.0120870 2.6713991 58 Al 2.8308876 0.0193640 0.0166196 -0.0148192 2.7474927 -0.0310308 -0.0089562 -0.0120870 2.6713991 59 Al 2.8308876 -0.0193640 -0.0166196 0.0148192 2.7474927 -0.0310308 0.0089562 -0.0120870 2.6713991 60 Al 2.8308876 -0.0193640 0.0166196 0.0148192 2.7474927 0.0310308 -0.0089562 0.0120870 2.6713991 61 Al 2.8339467 -0.0123402 -0.0169204 -0.0012373 2.7518770 -0.0251641 0.0112339 -0.0254924 2.6534906 62 Al 2.8339467 -0.0123402 0.0169204 -0.0012373 2.7518770 0.0251641 -0.0112339 0.0254924 2.6534906 63 Al 2.8339467 0.0123402 -0.0169204 0.0012373 2.7518770 0.0251641 0.0112339 0.0254924 2.6534906 64 Al 2.8339467 0.0123402 0.0169204 0.0012373 2.7518770 -0.0251641 -0.0112339 -0.0254924 2.6534906 65 Sr 2.3370292 -0.0225108 0.0359714 0.0171326 2.4417155 0.0093105 0.0299165 0.0100988 2.6037160 66 Sr 2.3370292 -0.0225108 -0.0359714 0.0171326 2.4417155 -0.0093105 -0.0299165 -0.0100988 2.6037160 67 Sr 2.3370292 0.0225108 0.0359714 -0.0171326 2.4417155 -0.0093105 0.0299165 -0.0100988 2.6037160 68 Sr 2.3370292 0.0225108 -0.0359714 -0.0171326 2.4417155 0.0093105 -0.0299165 0.0100988 2.6037160 69 Sr 2.3512137 0.0119777 -0.0365042 -0.0041592 2.4341959 -0.0483825 -0.0315018 -0.0278152 2.6132635 70 Sr 2.3512137 0.0119777 0.0365042 -0.0041592 2.4341959 0.0483825 0.0315018 0.0278152 2.6132635 71 Sr 2.3512137 -0.0119777 -0.0365042 0.0041592 2.4341959 0.0483825 -0.0315018 0.0278152 2.6132635 72 Sr 2.3512137 -0.0119777 0.0365042 0.0041592 2.4341959 -0.0483825 0.0315018 -0.0278152 2.6132635 ---------------------------------------------------------------------------- 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[ 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[ 35, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, 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[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 121, 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[ 129, 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[ 137, 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 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:56:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:56:14]------------------------- 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 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 18.241801280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.304149599999999 0.000000000000000 c 0.000000000000000 0.000000000000000 9.401372090000001 Atomic positions (fractional): 1 F 0.17978566541278 0.96956434044333 0.17286664643514 18.998 2 F 0.82021433458722 0.03043565955667 0.67286664643514 18.998 3 F 0.67978566541278 0.53043565955667 0.17286664643514 18.998 4 F 0.32021433458722 0.46956434044333 0.67286664643514 18.998 5 F 0.07536845623584 0.05273645060595 0.46574000549851 18.998 6 F 0.92463154376416 0.94726354939405 0.96574000549851 18.998 7 F 0.57536845623584 0.44726354939405 0.46574000549851 18.998 8 F 0.42463154376416 0.55273645060595 0.96574000549851 18.998 9 F 0.20951783651772 0.48187988926810 0.14847675139741 18.998 10 F 0.79048216348228 0.51812011073190 0.64847675139741 18.998 11 F 0.70951783651772 0.01812011073190 0.14847675139741 18.998 12 F 0.29048216348228 0.98187988926810 0.64847675139741 18.998 13 F 0.43145412685628 0.83017661173359 0.75000019685596 18.998 14 F 0.56854587314372 0.16982338826641 0.25000019685596 18.998 15 F 0.93145412685628 0.66982338826641 0.75000019685596 18.998 16 F 0.06854587314372 0.33017661173359 0.25000019685596 18.998 17 F 0.31116693975984 0.81120828403679 0.10268129758095 18.998 18 F 0.05766856280213 0.81135993909969 0.03833746885328 18.998 19 F 0.68883306024016 0.18879171596321 0.60268129758095 18.998 20 F 0.18883306024016 0.31120828403679 0.60268129758095 18.998 21 F 0.46177278679369 0.03775067394061 0.99365985086095 18.998 22 F 0.53822721320631 0.96224932605939 0.49365985086095 18.998 23 F 0.96177278679369 0.46224932605939 0.99365985086095 18.998 24 F 0.03822721320631 0.53775067394061 0.49365985086095 18.998 25 F 0.21003379000308 0.50395437910866 0.84113325645922 18.998 26 F 0.78996620999693 0.49604562089134 0.34113325645922 18.998 27 F 0.71003379000307 0.99604562089134 0.84113325645922 18.998 28 F 0.28996620999693 0.00395437910866 0.34113325645922 18.998 29 F 0.18300286211364 0.69644952752579 0.39079380984592 18.998 30 F 0.81699713788636 0.30355047247422 0.89079380984592 18.998 31 F 0.68300286211364 0.80355047247421 0.39079380984592 18.998 32 F 0.31699713788636 0.19644952752579 0.89079380984592 18.998 33 F 0.18985330632711 0.03026944813017 0.82634667790947 18.998 34 F 0.81014669367289 0.96973055186983 0.32634667790947 18.998 35 F 0.68985330632711 0.46973055186983 0.82634667790947 18.998 36 F 0.31014669367289 0.53026944813017 0.32634667790947 18.998 37 F 0.06041114895027 0.52385402257144 0.81605223764080 18.998 38 F 0.93958885104973 0.47614597742856 0.31605223764080 18.998 39 F 0.56041114895027 0.97614597742856 0.81605223764080 18.998 40 F 0.43958885104973 0.02385402257144 0.31605223764080 18.998 41 F 0.46381607097210 0.49074716555566 0.29611369140412 18.998 42 F 0.53618392902790 0.50925283444434 0.79611369140412 18.998 43 F 0.96381607097210 0.00925283444434 0.29611369140412 18.998 44 F 0.03618392902790 0.99074716555566 0.79611369140412 18.998 45 F 0.44233143719787 0.31135993909969 0.53833746885328 18.998 46 F 0.55766856280213 0.68864006090031 0.03833746885328 18.998 47 F 0.94233143719787 0.18864006090031 0.53833746885328 18.998 48 F 0.81116693975984 0.68879171596321 0.10268129758095 18.998 49 Na 0.31315945613335 0.75525972576913 0.86834829331927 22.990 50 Na 0.68684054386665 0.24474027423087 0.36834829331927 22.990 51 Na 0.81315945613335 0.74474027423087 0.86834829331927 22.990 52 Na 0.18684054386665 0.25525972576913 0.36834829331927 22.990 53 Na 0.43323648042445 0.26259354154342 0.77284100976930 22.990 54 Na 0.56676351957555 0.73740645845658 0.27284100976930 22.990 55 Na 0.93323648042445 0.23740645845658 0.77284100976930 22.990 56 Na 0.06676351957555 0.76259354154342 0.27284100976930 22.990 57 Al 0.99404487397657 0.73768979987447 0.89832409955032 26.982 58 Al 0.00595512602343 0.26231020012554 0.39832409955032 26.982 59 Al 0.49404487397657 0.76231020012553 0.89832409955032 26.982 60 Al 0.50595512602343 0.23768979987447 0.39832409955032 26.982 61 Al 0.25393116730632 0.25152019076848 0.74215211757674 26.982 62 Al 0.74606883269368 0.74847980923152 0.24215211757674 26.982 63 Al 0.75393116730632 0.24847980923152 0.74215211757674 26.982 64 Al 0.24606883269368 0.75152019076848 0.24215211757674 26.982 65 Sr 0.13398184821805 0.75257177360213 0.63996051526096 87.620 66 Sr 0.86601815178195 0.24742822639787 0.13996051526096 87.620 67 Sr 0.63398184821805 0.74742822639787 0.63996051526096 87.620 68 Sr 0.36601815178195 0.25257177360213 0.13996051526096 87.620 69 Sr 0.38513967871917 0.75286618123862 0.50237213378169 87.620 70 Sr 0.61486032128083 0.24713381876138 0.00237213378169 87.620 71 Sr 0.88513967871917 0.74713381876138 0.50237213378169 87.620 72 Sr 0.11486032128083 0.25286618123862 0.00237213378169 87.620 -------------------------------- supercell --------------------------------- Lattice vectors: a 18.241801280000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.608299199999998 0.000000000000000 c 0.000000000000000 0.000000000000000 9.401372090000001 Atomic positions (fractional): 1 F 0.17978566541278 0.48478217022167 0.17286664643514 18.998 > 1 2 F 0.17978566541278 0.98478217022167 0.17286664643514 18.998 > 1 3 F 0.82021433458722 0.01521782977833 0.67286664643514 18.998 > 3 4 F 0.82021433458722 0.51521782977833 0.67286664643514 18.998 > 3 5 F 0.67978566541278 0.26521782977833 0.17286664643514 18.998 > 5 6 F 0.67978566541278 0.76521782977833 0.17286664643514 18.998 > 5 7 F 0.32021433458722 0.23478217022167 0.67286664643514 18.998 > 7 8 F 0.32021433458722 0.73478217022167 0.67286664643514 18.998 > 7 9 F 0.07536845623584 0.02636822530298 0.46574000549851 18.998 > 9 10 F 0.07536845623584 0.52636822530298 0.46574000549851 18.998 > 9 11 F 0.92463154376416 0.47363177469702 0.96574000549851 18.998 > 11 12 F 0.92463154376416 0.97363177469702 0.96574000549851 18.998 > 11 13 F 0.57536845623584 0.22363177469702 0.46574000549851 18.998 > 13 14 F 0.57536845623584 0.72363177469702 0.46574000549851 18.998 > 13 15 F 0.42463154376416 0.27636822530298 0.96574000549851 18.998 > 15 16 F 0.42463154376416 0.77636822530298 0.96574000549851 18.998 > 15 17 F 0.20951783651772 0.24093994463405 0.14847675139741 18.998 > 17 18 F 0.20951783651772 0.74093994463405 0.14847675139741 18.998 > 17 19 F 0.79048216348228 0.25906005536595 0.64847675139741 18.998 > 19 20 F 0.79048216348228 0.75906005536595 0.64847675139741 18.998 > 19 21 F 0.70951783651772 0.00906005536595 0.14847675139741 18.998 > 21 22 F 0.70951783651772 0.50906005536595 0.14847675139741 18.998 > 21 23 F 0.29048216348228 0.49093994463405 0.64847675139741 18.998 > 23 24 F 0.29048216348228 0.99093994463405 0.64847675139741 18.998 > 23 25 F 0.43145412685628 0.41508830586680 0.75000019685596 18.998 > 25 26 F 0.43145412685628 0.91508830586680 0.75000019685596 18.998 > 25 27 F 0.56854587314372 0.08491169413320 0.25000019685596 18.998 > 27 28 F 0.56854587314372 0.58491169413320 0.25000019685596 18.998 > 27 29 F 0.93145412685628 0.33491169413320 0.75000019685596 18.998 > 29 30 F 0.93145412685628 0.83491169413320 0.75000019685596 18.998 > 29 31 F 0.06854587314372 0.16508830586680 0.25000019685596 18.998 > 31 32 F 0.06854587314372 0.66508830586680 0.25000019685596 18.998 > 31 33 F 0.31116693975984 0.40560414201840 0.10268129758095 18.998 > 33 34 F 0.31116693975984 0.90560414201840 0.10268129758095 18.998 > 33 35 F 0.05766856280213 0.40567996954984 0.03833746885328 18.998 > 35 36 F 0.05766856280213 0.90567996954984 0.03833746885328 18.998 > 35 37 F 0.68883306024016 0.09439585798160 0.60268129758095 18.998 > 37 38 F 0.68883306024016 0.59439585798160 0.60268129758095 18.998 > 37 39 F 0.18883306024016 0.15560414201840 0.60268129758095 18.998 > 39 40 F 0.18883306024016 0.65560414201840 0.60268129758095 18.998 > 39 41 F 0.46177278679369 0.01887533697031 0.99365985086095 18.998 > 41 42 F 0.46177278679369 0.51887533697031 0.99365985086095 18.998 > 41 43 F 0.53822721320631 0.48112466302969 0.49365985086095 18.998 > 43 44 F 0.53822721320631 0.98112466302969 0.49365985086095 18.998 > 43 45 F 0.96177278679369 0.23112466302969 0.99365985086095 18.998 > 45 46 F 0.96177278679369 0.73112466302969 0.99365985086095 18.998 > 45 47 F 0.03822721320631 0.26887533697031 0.49365985086095 18.998 > 47 48 F 0.03822721320631 0.76887533697031 0.49365985086095 18.998 > 47 49 F 0.21003379000308 0.25197718955433 0.84113325645922 18.998 > 49 50 F 0.21003379000308 0.75197718955433 0.84113325645922 18.998 > 49 51 F 0.78996620999693 0.24802281044567 0.34113325645922 18.998 > 51 52 F 0.78996620999693 0.74802281044567 0.34113325645922 18.998 > 51 53 F 0.71003379000307 0.49802281044567 0.84113325645922 18.998 > 53 54 F 0.71003379000307 0.99802281044567 0.84113325645922 18.998 > 53 55 F 0.28996620999693 0.00197718955433 0.34113325645922 18.998 > 55 56 F 0.28996620999693 0.50197718955433 0.34113325645922 18.998 > 55 57 F 0.18300286211364 0.34822476376289 0.39079380984592 18.998 > 57 58 F 0.18300286211364 0.84822476376289 0.39079380984592 18.998 > 57 59 F 0.81699713788636 0.15177523623711 0.89079380984592 18.998 > 59 60 F 0.81699713788636 0.65177523623711 0.89079380984592 18.998 > 59 61 F 0.68300286211364 0.40177523623711 0.39079380984592 18.998 > 61 62 F 0.68300286211364 0.90177523623711 0.39079380984592 18.998 > 61 63 F 0.31699713788636 0.09822476376289 0.89079380984592 18.998 > 63 64 F 0.31699713788636 0.59822476376289 0.89079380984592 18.998 > 63 65 F 0.18985330632711 0.01513472406509 0.82634667790947 18.998 > 65 66 F 0.18985330632711 0.51513472406509 0.82634667790947 18.998 > 65 67 F 0.81014669367289 0.48486527593491 0.32634667790947 18.998 > 67 68 F 0.81014669367289 0.98486527593491 0.32634667790947 18.998 > 67 69 F 0.68985330632711 0.23486527593491 0.82634667790947 18.998 > 69 70 F 0.68985330632711 0.73486527593491 0.82634667790947 18.998 > 69 71 F 0.31014669367289 0.26513472406509 0.32634667790947 18.998 > 71 72 F 0.31014669367289 0.76513472406509 0.32634667790947 18.998 > 71 73 F 0.06041114895027 0.26192701128572 0.81605223764080 18.998 > 73 74 F 0.06041114895027 0.76192701128572 0.81605223764080 18.998 > 73 75 F 0.93958885104973 0.23807298871428 0.31605223764080 18.998 > 75 76 F 0.93958885104973 0.73807298871428 0.31605223764080 18.998 > 75 77 F 0.56041114895027 0.48807298871428 0.81605223764080 18.998 > 77 78 F 0.56041114895027 0.98807298871428 0.81605223764080 18.998 > 77 79 F 0.43958885104973 0.01192701128572 0.31605223764080 18.998 > 79 80 F 0.43958885104973 0.51192701128572 0.31605223764080 18.998 > 79 81 F 0.46381607097210 0.24537358277783 0.29611369140412 18.998 > 81 82 F 0.46381607097210 0.74537358277783 0.29611369140412 18.998 > 81 83 F 0.53618392902790 0.25462641722217 0.79611369140412 18.998 > 83 84 F 0.53618392902790 0.75462641722217 0.79611369140412 18.998 > 83 85 F 0.96381607097210 0.00462641722217 0.29611369140412 18.998 > 85 86 F 0.96381607097210 0.50462641722217 0.29611369140412 18.998 > 85 87 F 0.03618392902790 0.49537358277783 0.79611369140412 18.998 > 87 88 F 0.03618392902790 0.99537358277783 0.79611369140412 18.998 > 87 89 F 0.44233143719787 0.15567996954985 0.53833746885328 18.998 > 89 90 F 0.44233143719787 0.65567996954984 0.53833746885328 18.998 > 89 91 F 0.55766856280213 0.34432003045016 0.03833746885328 18.998 > 91 92 F 0.55766856280213 0.84432003045016 0.03833746885328 18.998 > 91 93 F 0.94233143719787 0.09432003045015 0.53833746885328 18.998 > 93 94 F 0.94233143719787 0.59432003045016 0.53833746885328 18.998 > 93 95 F 0.81116693975984 0.34439585798160 0.10268129758095 18.998 > 95 96 F 0.81116693975984 0.84439585798160 0.10268129758095 18.998 > 95 97 Na 0.31315945613335 0.37762986288457 0.86834829331927 22.990 > 97 98 Na 0.31315945613335 0.87762986288457 0.86834829331927 22.990 > 97 99 Na 0.68684054386665 0.12237013711543 0.36834829331927 22.990 > 99 100 Na 0.68684054386665 0.62237013711543 0.36834829331927 22.990 > 99 101 Na 0.81315945613335 0.37237013711543 0.86834829331927 22.990 > 101 102 Na 0.81315945613335 0.87237013711543 0.86834829331927 22.990 > 101 103 Na 0.18684054386665 0.12762986288457 0.36834829331927 22.990 > 103 104 Na 0.18684054386665 0.62762986288457 0.36834829331927 22.990 > 103 105 Na 0.43323648042445 0.13129677077171 0.77284100976930 22.990 > 105 106 Na 0.43323648042445 0.63129677077171 0.77284100976930 22.990 > 105 107 Na 0.56676351957555 0.36870322922829 0.27284100976930 22.990 > 107 108 Na 0.56676351957555 0.86870322922829 0.27284100976930 22.990 > 107 109 Na 0.93323648042445 0.11870322922829 0.77284100976930 22.990 > 109 110 Na 0.93323648042445 0.61870322922829 0.77284100976930 22.990 > 109 111 Na 0.06676351957555 0.38129677077171 0.27284100976930 22.990 > 111 112 Na 0.06676351957555 0.88129677077171 0.27284100976930 22.990 > 111 113 Al 0.99404487397657 0.36884489993723 0.89832409955032 26.982 > 113 114 Al 0.99404487397657 0.86884489993723 0.89832409955032 26.982 > 113 115 Al 0.00595512602343 0.13115510006277 0.39832409955032 26.982 > 115 116 Al 0.00595512602343 0.63115510006277 0.39832409955032 26.982 > 115 117 Al 0.49404487397657 0.38115510006277 0.89832409955032 26.982 > 117 118 Al 0.49404487397657 0.88115510006277 0.89832409955032 26.982 > 117 119 Al 0.50595512602343 0.11884489993723 0.39832409955032 26.982 > 119 120 Al 0.50595512602343 0.61884489993723 0.39832409955032 26.982 > 119 121 Al 0.25393116730632 0.12576009538424 0.74215211757674 26.982 > 121 122 Al 0.25393116730632 0.62576009538424 0.74215211757674 26.982 > 121 123 Al 0.74606883269368 0.37423990461576 0.24215211757674 26.982 > 123 124 Al 0.74606883269368 0.87423990461576 0.24215211757674 26.982 > 123 125 Al 0.75393116730632 0.12423990461576 0.74215211757674 26.982 > 125 126 Al 0.75393116730632 0.62423990461576 0.74215211757674 26.982 > 125 127 Al 0.24606883269368 0.37576009538424 0.24215211757674 26.982 > 127 128 Al 0.24606883269368 0.87576009538424 0.24215211757674 26.982 > 127 129 Sr 0.13398184821805 0.37628588680107 0.63996051526096 87.620 > 129 130 Sr 0.13398184821805 0.87628588680107 0.63996051526096 87.620 > 129 131 Sr 0.86601815178195 0.12371411319893 0.13996051526096 87.620 > 131 132 Sr 0.86601815178195 0.62371411319893 0.13996051526096 87.620 > 131 133 Sr 0.63398184821805 0.37371411319893 0.63996051526096 87.620 > 133 134 Sr 0.63398184821805 0.87371411319893 0.63996051526096 87.620 > 133 135 Sr 0.36601815178195 0.12628588680107 0.13996051526096 87.620 > 135 136 Sr 0.36601815178195 0.62628588680107 0.13996051526096 87.620 > 135 137 Sr 0.38513967871917 0.37643309061931 0.50237213378169 87.620 > 137 138 Sr 0.38513967871917 0.87643309061931 0.50237213378169 87.620 > 137 139 Sr 0.61486032128083 0.12356690938069 0.00237213378169 87.620 > 139 140 Sr 0.61486032128083 0.62356690938069 0.00237213378169 87.620 > 139 141 Sr 0.88513967871917 0.37356690938069 0.50237213378169 87.620 > 141 142 Sr 0.88513967871917 0.87356690938069 0.50237213378169 87.620 > 141 143 Sr 0.11486032128083 0.12643309061931 0.00237213378169 87.620 > 143 144 Sr 0.11486032128083 0.62643309061931 0.00237213378169 87.620 > 143 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.0822468 0.0000000 0.0000000 0.0000000 2.0942501 0.0000000 0.0000000 0.0000000 2.1031097 -------------------------- Born effective charges -------------------------- 1 F -1.0808528 0.2462214 -0.1853165 0.2530882 -1.0800785 0.2178440 -0.2044361 0.2226024 -0.9724655 2 F -1.0808528 0.2462214 0.1853165 0.2530882 -1.0800785 -0.2178440 0.2044361 -0.2226024 -0.9724655 3 F -1.0808528 -0.2462214 -0.1853165 -0.2530882 -1.0800785 -0.2178440 -0.2044361 -0.2226024 -0.9724655 4 F -1.0808528 -0.2462214 0.1853165 -0.2530882 -1.0800785 0.2178440 0.2044361 0.2226024 -0.9724655 5 F -1.0781473 0.2378930 -0.1751606 0.2469942 -1.0750449 0.2160761 -0.1947449 0.2135269 -0.9681158 6 F -1.0781473 0.2378930 0.1751606 0.2469942 -1.0750449 -0.2160761 0.1947449 -0.2135269 -0.9681158 7 F -1.0781473 -0.2378930 -0.1751606 -0.2469942 -1.0750449 -0.2160761 -0.1947449 -0.2135269 -0.9681158 8 F -1.0781473 -0.2378930 0.1751606 -0.2469942 -1.0750449 0.2160761 0.1947449 0.2135269 -0.9681158 9 F -1.0672345 -0.1882832 -0.1729384 -0.2108918 -1.1355663 -0.2445026 -0.1835300 -0.2406248 -0.9916962 10 F -1.0672345 -0.1882832 0.1729384 -0.2108918 -1.1355663 0.2445026 0.1835300 0.2406248 -0.9916962 11 F -1.0672345 0.1882832 -0.1729384 0.2108918 -1.1355663 0.2445026 -0.1835300 0.2406248 -0.9916962 12 F -1.0672345 0.1882832 0.1729384 0.2108918 -1.1355663 -0.2445026 0.1835300 -0.2406248 -0.9916962 13 F -1.0325125 0.0304970 -0.3054629 0.0244950 -0.8564694 0.0212315 -0.2890979 0.0256183 -1.2954169 14 F -1.0325125 0.0304970 0.3054629 0.0244950 -0.8564694 -0.0212315 0.2890979 -0.0256183 -1.2954169 15 F -1.0325125 -0.0304970 -0.3054629 -0.0244950 -0.8564694 -0.0212315 -0.2890979 -0.0256183 -1.2954169 16 F -1.0325125 -0.0304970 0.3054629 -0.0244950 -0.8564694 0.0212315 0.2890979 0.0256183 -1.2954169 17 F -0.9578979 -0.1233292 0.1783483 -0.1329980 -1.0727442 0.0386053 0.1718933 0.0237027 -1.0166995 18 F -0.9546794 -0.1419585 -0.1808725 -0.1284203 -1.0758177 -0.0532527 -0.1743833 -0.0354597 -1.0214406 19 F -0.9578979 -0.1233292 -0.1783483 -0.1329980 -1.0727442 -0.0386053 -0.1718933 -0.0237027 -1.0166995 20 F -0.9578979 0.1233292 -0.1783483 0.1329980 -1.0727442 0.0386053 -0.1718933 0.0237027 -1.0166995 21 F -1.0757262 0.1782029 0.1747544 0.1916155 -1.1351581 -0.2455028 0.1849255 -0.2498646 -0.9973773 22 F -1.0757262 0.1782029 -0.1747544 0.1916155 -1.1351581 0.2455028 -0.1849255 0.2498646 -0.9973773 23 F -1.0757262 -0.1782029 0.1747544 -0.1916155 -1.1351581 0.2455028 0.1849255 0.2498646 -0.9973773 24 F -1.0757262 -0.1782029 -0.1747544 -0.1916155 -1.1351581 -0.2455028 -0.1849255 -0.2498646 -0.9973773 25 F -1.0230008 0.0955600 0.0904308 0.0742970 -1.0645429 0.0138709 0.0918639 0.0127233 -0.9937467 26 F -1.0230008 0.0955600 -0.0904308 0.0742970 -1.0645429 -0.0138709 -0.0918639 -0.0127233 -0.9937467 27 F -1.0230008 -0.0955600 0.0904308 -0.0742970 -1.0645429 -0.0138709 0.0918639 -0.0127233 -0.9937467 28 F -1.0230008 -0.0955600 -0.0904308 -0.0742970 -1.0645429 0.0138709 -0.0918639 0.0127233 -0.9937467 29 F -1.0383413 -0.0194719 0.3048694 -0.0243598 -0.8509508 0.0276033 0.2951128 0.0270273 -1.2884601 30 F -1.0383413 -0.0194719 -0.3048694 -0.0243598 -0.8509508 -0.0276033 -0.2951128 -0.0270273 -1.2884601 31 F -1.0383413 0.0194719 0.3048694 0.0243598 -0.8509508 -0.0276033 0.2951128 -0.0270273 -1.2884601 32 F -1.0383413 0.0194719 -0.3048694 0.0243598 -0.8509508 0.0276033 -0.2951128 0.0270273 -1.2884601 33 F -1.0890747 -0.1482522 0.1689254 -0.1372121 -1.0753447 -0.1344023 0.1611512 -0.1347125 -1.0647519 34 F -1.0890747 -0.1482522 -0.1689254 -0.1372121 -1.0753447 0.1344023 -0.1611512 0.1347125 -1.0647519 35 F -1.0890747 0.1482522 0.1689254 0.1372121 -1.0753447 0.1344023 0.1611512 0.1347125 -1.0647519 36 F -1.0890747 0.1482522 -0.1689254 0.1372121 -1.0753447 -0.1344023 -0.1611512 -0.1347125 -1.0647519 37 F -1.0918308 0.1512669 0.1614724 0.1404230 -1.0636343 0.1483187 0.1521228 0.1569902 -1.0711762 38 F -1.0918308 0.1512669 -0.1614724 0.1404230 -1.0636343 -0.1483187 -0.1521228 -0.1569902 -1.0711762 39 F -1.0918308 -0.1512669 0.1614724 -0.1404230 -1.0636343 -0.1483187 0.1521228 -0.1569902 -1.0711762 40 F -1.0918308 -0.1512669 -0.1614724 -0.1404230 -1.0636343 0.1483187 -0.1521228 0.1569902 -1.0711762 41 F -1.0245780 0.0777680 -0.1089287 0.0600053 -1.0577339 -0.0068708 -0.1093854 0.0060896 -0.9931325 42 F -1.0245780 0.0777680 0.1089287 0.0600053 -1.0577339 0.0068708 0.1093854 -0.0060896 -0.9931325 43 F -1.0245780 -0.0777680 -0.1089287 -0.0600053 -1.0577339 0.0068708 -0.1093854 -0.0060896 -0.9931325 44 F -1.0245780 -0.0777680 0.1089287 -0.0600053 -1.0577339 -0.0068708 0.1093854 0.0060896 -0.9931325 45 F -0.9546794 0.1419585 0.1808725 0.1284203 -1.0758177 -0.0532527 0.1743833 -0.0354597 -1.0214406 46 F -0.9546794 0.1419585 -0.1808725 0.1284203 -1.0758177 0.0532527 -0.1743833 0.0354597 -1.0214406 47 F -0.9546794 -0.1419585 0.1808725 -0.1284203 -1.0758177 0.0532527 0.1743833 0.0354597 -1.0214406 48 F -0.9578979 0.1233292 0.1783483 0.1329980 -1.0727442 -0.0386053 0.1718933 -0.0237027 -1.0166995 49 Na 1.0807255 -0.0065220 0.0250485 -0.0078960 1.0863653 0.0085550 0.0224042 0.0101516 1.0674247 50 Na 1.0807255 -0.0065220 -0.0250485 -0.0078960 1.0863653 -0.0085550 -0.0224042 -0.0101516 1.0674247 51 Na 1.0807255 0.0065220 0.0250485 0.0078960 1.0863653 -0.0085550 0.0224042 -0.0101516 1.0674247 52 Na 1.0807255 0.0065220 -0.0250485 0.0078960 1.0863653 0.0085550 -0.0224042 0.0101516 1.0674247 53 Na 1.0800735 -0.0039423 0.0223967 -0.0051290 1.0814394 -0.0114246 0.0182080 -0.0063288 1.0651854 54 Na 1.0800735 -0.0039423 -0.0223967 -0.0051290 1.0814394 0.0114246 -0.0182080 0.0063288 1.0651854 55 Na 1.0800735 0.0039423 0.0223967 0.0051290 1.0814394 0.0114246 0.0182080 0.0063288 1.0651854 56 Na 1.0800735 0.0039423 -0.0223967 0.0051290 1.0814394 -0.0114246 -0.0182080 -0.0063288 1.0651854 57 Al 2.8308876 0.0193640 -0.0166196 -0.0148192 2.7474927 0.0310308 0.0089562 0.0120870 2.6713991 58 Al 2.8308876 0.0193640 0.0166196 -0.0148192 2.7474927 -0.0310308 -0.0089562 -0.0120870 2.6713991 59 Al 2.8308876 -0.0193640 -0.0166196 0.0148192 2.7474927 -0.0310308 0.0089562 -0.0120870 2.6713991 60 Al 2.8308876 -0.0193640 0.0166196 0.0148192 2.7474927 0.0310308 -0.0089562 0.0120870 2.6713991 61 Al 2.8339467 -0.0123402 -0.0169204 -0.0012373 2.7518770 -0.0251641 0.0112339 -0.0254924 2.6534906 62 Al 2.8339467 -0.0123402 0.0169204 -0.0012373 2.7518770 0.0251641 -0.0112339 0.0254924 2.6534906 63 Al 2.8339467 0.0123402 -0.0169204 0.0012373 2.7518770 0.0251641 0.0112339 0.0254924 2.6534906 64 Al 2.8339467 0.0123402 0.0169204 0.0012373 2.7518770 -0.0251641 -0.0112339 -0.0254924 2.6534906 65 Sr 2.3370292 -0.0225108 0.0359714 0.0171326 2.4417155 0.0093105 0.0299165 0.0100988 2.6037160 66 Sr 2.3370292 -0.0225108 -0.0359714 0.0171326 2.4417155 -0.0093105 -0.0299165 -0.0100988 2.6037160 67 Sr 2.3370292 0.0225108 0.0359714 -0.0171326 2.4417155 -0.0093105 0.0299165 -0.0100988 2.6037160 68 Sr 2.3370292 0.0225108 -0.0359714 -0.0171326 2.4417155 0.0093105 -0.0299165 0.0100988 2.6037160 69 Sr 2.3512137 0.0119777 -0.0365042 -0.0041592 2.4341959 -0.0483825 -0.0315018 -0.0278152 2.6132635 70 Sr 2.3512137 0.0119777 0.0365042 -0.0041592 2.4341959 0.0483825 0.0315018 0.0278152 2.6132635 71 Sr 2.3512137 -0.0119777 -0.0365042 0.0041592 2.4341959 0.0483825 -0.0315018 0.0278152 2.6132635 72 Sr 2.3512137 -0.0119777 0.0365042 0.0041592 2.4341959 -0.0483825 0.0315018 -0.0278152 2.6132635 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (zzz) -0.00000000 (zzz) -0.00000000 (zzz) Max drift of fc2: -0.00000000 (zx) -0.00000000 (zx) --------------------------- 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 ... [ 3 9 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 291, Lambda: 0.06 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/30) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 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 1.141 ( 0.000 0.000 0.000) 0.000 1.231 ( 0.000 0.000 0.000) 0.000 1.299 ( 0.000 0.000 0.000) 0.000 1.526 ( 0.000 0.000 0.000) 0.000 1.567 ( 0.000 0.000 0.000) 0.000 1.783 ( 0.000 0.000 -0.000) 0.000 1.907 ( 0.000 0.000 0.000) 0.000 1.951 ( 0.000 0.000 0.000) 0.000 2.062 ( 0.000 0.000 -0.000) 0.000 2.161 ( 0.000 0.000 0.000) 0.000 2.213 ( 0.000 0.000 -0.000) 0.000 2.284 ( 0.000 0.000 -0.000) 0.000 2.285 ( 0.000 0.000 -0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.376 ( 0.000 0.000 0.000) 0.000 2.397 ( 0.000 0.000 0.000) 0.000 2.522 ( 0.000 0.000 -0.000) 0.000 2.522 ( 0.000 0.000 0.000) 0.000 2.640 ( 0.000 0.000 -0.000) 0.000 2.690 ( 0.000 0.000 0.000) 0.000 2.691 ( 0.000 0.000 -0.000) 0.000 2.706 ( 0.000 0.000 0.000) 0.000 2.822 ( 0.000 0.000 -0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 -0.000) 0.000 2.919 ( 0.000 0.000 -0.000) 0.000 2.948 ( 0.000 0.000 0.000) 0.000 3.121 ( 0.000 0.000 -0.000) 0.000 3.123 ( 0.000 0.000 0.000) 0.000 3.134 ( 0.000 0.000 0.000) 0.000 3.174 ( 0.000 0.000 0.000) 0.000 3.214 ( 0.000 0.000 -0.000) 0.000 3.218 ( 0.000 0.000 -0.000) 0.000 3.230 ( 0.000 0.000 0.000) 0.000 3.326 ( 0.000 0.000 -0.000) 0.000 3.354 ( 0.000 0.000 -0.000) 0.000 3.424 ( 0.000 0.000 -0.000) 0.000 3.489 ( 0.000 0.000 0.000) 0.000 3.557 ( 0.000 0.000 0.000) 0.000 3.601 ( 0.000 0.000 -0.000) 0.000 3.668 ( 0.000 0.000 0.000) 0.000 3.720 ( 0.000 0.000 0.000) 0.000 3.804 ( 0.000 0.000 0.000) 0.000 3.858 ( 0.000 0.000 0.000) 0.000 3.902 ( 0.000 0.000 0.000) 0.000 3.914 ( 0.000 0.000 -0.000) 0.000 3.955 ( 0.000 0.000 0.000) 0.000 4.008 ( 0.000 0.000 -0.000) 0.000 4.052 ( 0.000 0.000 0.000) 0.000 4.093 ( 0.000 0.000 0.000) 0.000 4.129 ( 0.000 0.000 0.000) 0.000 4.168 ( 0.000 0.000 -0.000) 0.000 4.343 ( 0.000 0.000 0.000) 0.000 4.373 ( 0.000 0.000 -0.000) 0.000 4.386 ( 0.000 0.000 0.000) 0.000 4.553 ( 0.000 0.000 0.000) 0.000 4.568 ( 0.000 0.000 0.000) 0.000 4.570 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 4.930 ( 0.000 0.000 -0.000) 0.000 4.943 ( 0.000 0.000 0.000) 0.000 4.980 ( 0.000 0.000 -0.000) 0.000 5.007 ( 0.000 0.000 0.000) 0.000 5.010 ( 0.000 0.000 0.000) 0.000 5.012 ( 0.000 0.000 0.000) 0.000 5.084 ( 0.000 0.000 -0.000) 0.000 5.122 ( 0.000 0.000 -0.000) 0.000 5.170 ( 0.000 0.000 -0.000) 0.000 5.175 ( 0.000 0.000 -0.000) 0.000 5.293 ( 0.000 0.000 0.000) 0.000 5.309 ( 0.000 0.000 -0.000) 0.000 5.319 ( 0.000 0.000 -0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.358 ( 0.000 0.000 -0.000) 0.000 5.612 ( 0.000 0.000 0.000) 0.000 5.724 ( 0.000 0.000 0.000) 0.000 5.841 ( 0.000 0.000 0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.929 ( 0.000 0.000 0.000) 0.000 5.980 ( 0.000 0.000 0.000) 0.000 6.045 ( 0.000 0.000 -0.000) 0.000 6.049 ( 0.000 0.000 -0.000) 0.000 6.222 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 -0.000) 0.000 6.254 ( 0.000 0.000 0.000) 0.000 6.255 ( 0.000 0.000 0.000) 0.000 6.360 ( 0.000 0.000 0.000) 0.000 6.376 ( 0.000 0.000 -0.000) 0.000 6.444 ( 0.000 0.000 0.000) 0.000 6.479 ( 0.000 0.000 0.000) 0.000 6.531 ( 0.000 0.000 0.000) 0.000 6.544 ( 0.000 0.000 0.000) 0.000 6.598 ( 0.000 0.000 0.000) 0.000 6.626 ( 0.000 0.000 0.000) 0.000 6.645 ( 0.000 0.000 0.000) 0.000 6.772 ( 0.000 0.000 0.000) 0.000 6.845 ( 0.000 0.000 0.000) 0.000 6.863 ( 0.000 0.000 -0.000) 0.000 6.922 ( 0.000 0.000 -0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.012 ( 0.000 0.000 0.000) 0.000 7.021 ( 0.000 0.000 -0.000) 0.000 7.086 ( 0.000 0.000 -0.000) 0.000 7.163 ( 0.000 0.000 -0.000) 0.000 7.221 ( 0.000 0.000 -0.000) 0.000 7.233 ( 0.000 0.000 0.000) 0.000 7.279 ( 0.000 0.000 -0.000) 0.000 7.282 ( 0.000 0.000 -0.000) 0.000 7.341 ( 0.000 0.000 0.000) 0.000 7.370 ( 0.000 0.000 0.000) 0.000 7.441 ( 0.000 0.000 0.000) 0.000 7.452 ( 0.000 0.000 0.000) 0.000 7.453 ( 0.000 0.000 0.000) 0.000 7.471 ( 0.000 0.000 -0.000) 0.000 7.488 ( 0.000 0.000 0.000) 0.000 7.520 ( 0.000 0.000 0.000) 0.000 7.596 ( 0.000 0.000 0.000) 0.000 8.975 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.173 ( 0.000 0.000 0.000) 0.000 9.219 ( 0.000 0.000 0.000) 0.000 9.236 ( 0.000 0.000 0.000) 0.000 9.278 ( 0.000 0.000 0.000) 0.000 9.379 ( 0.000 0.000 -0.000) 0.000 9.394 ( 0.000 0.000 -0.000) 0.000 9.575 ( 0.000 0.000 -0.000) 0.000 9.622 ( 0.000 0.000 0.000) 0.000 9.691 ( 0.000 0.000 0.000) 0.000 9.747 ( 0.000 0.000 0.000) 0.000 9.771 ( 0.000 0.000 -0.000) 0.000 9.838 ( 0.000 0.000 0.000) 0.000 9.840 ( 0.000 0.000 0.000) 0.000 9.903 ( 0.000 0.000 0.000) 0.000 10.166 ( 0.000 0.000 -0.000) 0.000 10.214 ( 0.000 0.000 0.000) 0.000 10.256 ( 0.000 0.000 -0.000) 0.000 10.257 ( 0.000 0.000 0.000) 0.000 10.317 ( 0.000 0.000 0.000) 0.000 10.338 ( 0.000 0.000 -0.000) 0.000 10.371 ( 0.000 0.000 0.000) 0.000 10.441 ( 0.000 0.000 0.000) 0.000 11.111 ( 0.000 0.000 -0.000) 0.000 11.180 ( 0.000 0.000 -0.000) 0.000 11.232 ( 0.000 0.000 -0.000) 0.000 11.273 ( 0.000 0.000 0.000) 0.000 11.280 ( 0.000 0.000 -0.000) 0.000 11.281 ( 0.000 0.000 0.000) 0.000 11.326 ( 0.000 0.000 0.000) 0.000 11.373 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 -0.000) 0.000 11.539 ( 0.000 0.000 -0.000) 0.000 11.561 ( 0.000 0.000 -0.000) 0.000 11.617 ( 0.000 0.000 -0.000) 0.000 11.719 ( 0.000 0.000 0.000) 0.000 11.724 ( 0.000 0.000 0.000) 0.000 11.731 ( 0.000 0.000 -0.000) 0.000 11.734 ( 0.000 0.000 0.000) 0.000 11.746 ( 0.000 0.000 0.000) 0.000 11.799 ( 0.000 0.000 0.000) 0.000 11.852 ( 0.000 0.000 0.000) 0.000 11.872 ( 0.000 0.000 0.000) 0.000 11.893 ( 0.000 0.000 0.000) 0.000 11.932 ( 0.000 0.000 0.000) 0.000 11.950 ( 0.000 0.000 0.000) 0.000 12.055 ( 0.000 0.000 0.000) 0.000 12.070 ( 0.000 0.000 -0.000) 0.000 12.105 ( 0.000 0.000 0.000) 0.000 12.114 ( 0.000 0.000 0.000) 0.000 12.148 ( 0.000 0.000 0.000) 0.000 12.152 ( 0.000 0.000 0.000) 0.000 12.192 ( 0.000 0.000 -0.000) 0.000 12.265 ( 0.000 0.000 0.000) 0.000 12.270 ( 0.000 0.000 -0.000) 0.000 12.303 ( 0.000 0.000 0.000) 0.000 12.348 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 -0.000) 0.000 12.617 ( 0.000 0.000 0.000) 0.000 12.697 ( 0.000 0.000 0.000) 0.000 13.080 ( 0.000 0.000 -0.000) 0.000 13.109 ( 0.000 0.000 0.000) 0.000 13.155 ( 0.000 0.000 -0.000) 0.000 16.103 ( 0.000 0.000 0.000) 0.000 16.114 ( 0.000 0.000 0.000) 0.000 16.170 ( 0.000 0.000 0.000) 0.000 16.220 ( 0.000 0.000 -0.000) 0.000 16.225 ( 0.000 0.000 0.000) 0.000 16.262 ( 0.000 0.000 0.000) 0.000 16.280 ( 0.000 0.000 -0.000) 0.000 16.301 ( 0.000 0.000 -0.000) 0.000 17.267 ( 0.000 0.000 0.000) 0.000 17.297 ( 0.000 0.000 -0.000) 0.000 17.395 ( 0.000 0.000 0.000) 0.000 17.446 ( 0.000 0.000 0.000) 0.000 17.467 ( 0.000 0.000 0.000) 0.000 17.471 ( 0.000 0.000 -0.000) 0.000 17.562 ( 0.000 0.000 0.000) 0.000 17.640 ( 0.000 0.000 0.000) 0.000 17.657 ( 0.000 0.000 0.000) 0.000 17.668 ( 0.000 0.000 0.000) 0.000 17.681 ( 0.000 0.000 0.000) 0.000 17.730 ( 0.000 0.000 -0.000) 0.000 17.780 ( 0.000 0.000 0.000) 0.000 17.910 ( 0.000 0.000 0.000) 0.000 17.969 ( 0.000 0.000 0.000) 0.000 18.010 ( 0.000 0.000 0.000) 0.000 18.102 ( 0.000 0.000 -0.000) 0.000 18.272 ( 0.000 0.000 0.000) 0.000 19.033 ( 0.000 0.000 0.000) 0.000 19.090 ( 0.000 0.000 0.000) 0.000 19.413 ( 0.000 0.000 -0.000) 0.000 20.110 ( 0.000 0.000 -0.000) 0.000 20.196 ( 0.000 0.000 0.000) 0.000 20.290 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 1 (2/30) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.434 ( 23.139 0.000 0.000) 23.139 0.509 ( 27.278 0.000 0.000) 27.278 0.771 ( 12.502 0.000 0.000) 12.502 0.914 ( 10.019 0.000 0.000) 10.019 0.984 ( -24.193 0.000 0.000) 24.193 1.438 ( -14.064 0.000 0.000) 14.064 1.456 ( 10.560 0.000 0.000) 10.560 1.665 ( -12.153 0.000 0.000) 12.153 1.802 ( 4.715 0.000 0.000) 4.715 1.883 ( -3.276 0.000 0.000) 3.276 1.910 ( 6.254 0.000 0.000) 6.254 2.069 ( -0.433 0.000 0.000) 0.433 2.081 ( -3.049 0.000 0.000) 3.049 2.103 ( -8.776 0.000 0.000) 8.776 2.258 ( -0.846 0.000 0.000) 0.846 2.320 ( 0.908 0.000 0.000) 0.908 2.322 ( -7.301 0.000 0.000) 7.301 2.337 ( 1.241 0.000 0.000) 1.241 2.466 ( 4.606 0.000 0.000) 4.606 2.499 ( 3.432 0.000 0.000) 3.432 2.565 ( 1.705 0.000 0.000) 1.705 2.612 ( -3.512 0.000 0.000) 3.512 2.669 ( -0.363 0.000 0.000) 0.363 2.736 ( -7.833 0.000 0.000) 7.833 2.765 ( 3.583 0.000 0.000) 3.583 2.782 ( 2.923 0.000 0.000) 2.923 2.860 ( -0.209 0.000 0.000) 0.209 2.861 ( -0.577 0.000 0.000) 0.577 2.894 ( 1.274 0.000 0.000) 1.274 2.933 ( -3.171 0.000 0.000) 3.171 3.091 ( 0.462 0.000 0.000) 0.462 3.127 ( -1.425 0.000 0.000) 1.425 3.151 ( -3.240 0.000 0.000) 3.240 3.152 ( -1.228 0.000 0.000) 1.228 3.195 ( 2.133 0.000 0.000) 2.133 3.231 ( -0.807 0.000 0.000) 0.807 3.345 ( 3.963 0.000 0.000) 3.963 3.390 ( 6.405 0.000 0.000) 6.405 3.440 ( 0.668 0.000 0.000) 0.668 3.490 ( -7.666 0.000 0.000) 7.666 3.518 ( 7.076 0.000 0.000) 7.076 3.626 ( 7.436 0.000 0.000) 7.436 3.636 ( -4.906 0.000 0.000) 4.906 3.651 ( 5.691 0.000 0.000) 5.691 3.738 ( 3.797 0.000 0.000) 3.797 3.758 ( -3.988 0.000 0.000) 3.988 3.802 ( -2.605 0.000 0.000) 2.605 3.906 ( 4.268 0.000 0.000) 4.268 3.907 ( -6.726 0.000 0.000) 6.726 3.964 ( -2.341 0.000 0.000) 2.341 4.066 ( 2.002 0.000 0.000) 2.002 4.108 ( -2.040 0.000 0.000) 2.040 4.123 ( 15.567 0.000 0.000) 15.567 4.202 ( 6.806 0.000 0.000) 6.806 4.286 ( -5.088 0.000 0.000) 5.088 4.348 ( 0.332 0.000 0.000) 0.332 4.377 ( -0.832 0.000 0.000) 0.832 4.461 ( -9.195 0.000 0.000) 9.195 4.546 ( 3.956 0.000 0.000) 3.956 4.575 ( 0.520 0.000 0.000) 0.520 4.661 ( 1.995 0.000 0.000) 1.995 4.784 ( -9.319 0.000 0.000) 9.319 4.816 ( -5.779 0.000 0.000) 5.779 4.845 ( -6.352 0.000 0.000) 6.352 5.034 ( 2.831 0.000 0.000) 2.831 5.044 ( 0.717 0.000 0.000) 0.717 5.090 ( 1.553 0.000 0.000) 1.553 5.113 ( 3.593 0.000 0.000) 3.593 5.120 ( -0.459 0.000 0.000) 0.459 5.156 ( -1.498 0.000 0.000) 1.498 5.208 ( 3.509 0.000 0.000) 3.509 5.275 ( -3.155 0.000 0.000) 3.155 5.294 ( -1.212 0.000 0.000) 1.212 5.295 ( -1.274 0.000 0.000) 1.274 5.327 ( 0.837 0.000 0.000) 0.837 5.347 ( -0.460 0.000 0.000) 0.460 5.695 ( 4.234 0.000 0.000) 4.234 5.726 ( -0.062 0.000 0.000) 0.062 5.855 ( 1.492 0.000 0.000) 1.492 5.888 ( -1.180 0.000 0.000) 1.180 5.935 ( 0.495 0.000 0.000) 0.495 5.937 ( -0.247 0.000 0.000) 0.247 6.027 ( 2.539 0.000 0.000) 2.539 6.053 ( -0.052 0.000 0.000) 0.052 6.207 ( -0.690 0.000 0.000) 0.690 6.214 ( -1.245 0.000 0.000) 1.245 6.229 ( 0.800 0.000 0.000) 0.800 6.248 ( -0.816 0.000 0.000) 0.816 6.310 ( 3.608 0.000 0.000) 3.608 6.368 ( -1.815 0.000 0.000) 1.815 6.454 ( 1.269 0.000 0.000) 1.269 6.468 ( -0.297 0.000 0.000) 0.297 6.504 ( -1.998 0.000 0.000) 1.998 6.511 ( -2.581 0.000 0.000) 2.581 6.609 ( 1.098 0.000 0.000) 1.098 6.626 ( -0.321 0.000 0.000) 0.321 6.658 ( 1.284 0.000 0.000) 1.284 6.696 ( -2.642 0.000 0.000) 2.642 6.803 ( 1.800 0.000 0.000) 1.800 6.861 ( -3.853 0.000 0.000) 3.853 6.887 ( 2.866 0.000 0.000) 2.866 6.930 ( -1.440 0.000 0.000) 1.440 7.030 ( 3.094 0.000 0.000) 3.094 7.046 ( 1.775 0.000 0.000) 1.775 7.084 ( -0.127 0.000 0.000) 0.127 7.107 ( -1.926 0.000 0.000) 1.926 7.184 ( 2.217 0.000 0.000) 2.217 7.239 ( -3.225 0.000 0.000) 3.225 7.259 ( 3.063 0.000 0.000) 3.063 7.299 ( 1.317 0.000 0.000) 1.317 7.332 ( -2.559 0.000 0.000) 2.559 7.338 ( -0.663 0.000 0.000) 0.663 7.416 ( -0.124 0.000 0.000) 0.124 7.430 ( -1.946 0.000 0.000) 1.946 7.456 ( 1.755 0.000 0.000) 1.755 7.472 ( 0.282 0.000 0.000) 0.282 7.500 ( 1.589 0.000 0.000) 1.589 7.532 ( -0.453 0.000 0.000) 0.453 7.576 ( -0.883 0.000 0.000) 0.883 7.583 ( -0.648 0.000 0.000) 0.648 8.981 ( 0.592 0.000 0.000) 0.592 8.997 ( -1.123 0.000 0.000) 1.123 9.154 ( 0.411 0.000 0.000) 0.411 9.189 ( -2.616 0.000 0.000) 2.616 9.295 ( 0.895 0.000 0.000) 0.895 9.300 ( 1.914 0.000 0.000) 1.914 9.375 ( 3.910 0.000 0.000) 3.910 9.474 ( 6.151 0.000 0.000) 6.151 9.492 ( -6.636 0.000 0.000) 6.636 9.595 ( -6.106 0.000 0.000) 6.106 9.686 ( 2.371 0.000 0.000) 2.371 9.729 ( -1.864 0.000 0.000) 1.864 9.794 ( 1.905 0.000 0.000) 1.905 9.825 ( -1.294 0.000 0.000) 1.294 9.871 ( 2.114 0.000 0.000) 2.114 9.897 ( -0.756 0.000 0.000) 0.756 10.193 ( 2.729 0.000 0.000) 2.729 10.224 ( 0.708 0.000 0.000) 0.708 10.237 ( -1.107 0.000 0.000) 1.107 10.256 ( -2.938 0.000 0.000) 2.938 10.288 ( 0.758 0.000 0.000) 0.758 10.317 ( -1.809 0.000 0.000) 1.809 10.411 ( 2.458 0.000 0.000) 2.458 10.440 ( -0.566 0.000 0.000) 0.566 11.134 ( 2.466 0.000 0.000) 2.466 11.185 ( -0.761 0.000 0.000) 0.761 11.200 ( -1.472 0.000 0.000) 1.472 11.233 ( -3.008 0.000 0.000) 3.008 11.272 ( 1.899 0.000 0.000) 1.899 11.316 ( -2.207 0.000 0.000) 2.207 11.336 ( 2.559 0.000 0.000) 2.559 11.365 ( -0.580 0.000 0.000) 0.580 11.502 ( 0.885 0.000 0.000) 0.885 11.559 ( -4.339 0.000 0.000) 4.339 11.615 ( 3.592 0.000 0.000) 3.592 11.651 ( 5.606 0.000 0.000) 5.606 11.687 ( -3.783 0.000 0.000) 3.783 11.723 ( -1.742 0.000 0.000) 1.742 11.751 ( 1.300 0.000 0.000) 1.300 11.765 ( 0.670 0.000 0.000) 0.670 11.777 ( 0.730 0.000 0.000) 0.730 11.802 ( -1.958 0.000 0.000) 1.958 11.882 ( -1.899 0.000 0.000) 1.899 11.882 ( -1.222 0.000 0.000) 1.222 11.946 ( 1.399 0.000 0.000) 1.399 11.946 ( 1.583 0.000 0.000) 1.583 12.067 ( -0.251 0.000 0.000) 0.251 12.067 ( -0.085 0.000 0.000) 0.085 12.101 ( 1.396 0.000 0.000) 1.396 12.130 ( 0.047 0.000 0.000) 0.047 12.137 ( 0.695 0.000 0.000) 0.695 12.170 ( 0.104 0.000 0.000) 0.104 12.173 ( 0.148 0.000 0.000) 0.148 12.186 ( -1.725 0.000 0.000) 1.725 12.273 ( 0.761 0.000 0.000) 0.761 12.283 ( -0.245 0.000 0.000) 0.245 12.343 ( 4.714 0.000 0.000) 4.714 12.379 ( 3.429 0.000 0.000) 3.429 12.426 ( -3.456 0.000 0.000) 3.456 12.495 ( -8.801 0.000 0.000) 8.801 12.864 ( 9.882 0.000 0.000) 9.882 13.026 ( -7.429 0.000 0.000) 7.429 13.107 ( 2.612 0.000 0.000) 2.612 13.151 ( -1.522 0.000 0.000) 1.522 16.106 ( 0.286 0.000 0.000) 0.286 16.112 ( -0.278 0.000 0.000) 0.278 16.179 ( 0.954 0.000 0.000) 0.954 16.202 ( -1.507 0.000 0.000) 1.507 16.243 ( 0.884 0.000 0.000) 0.884 16.264 ( -1.312 0.000 0.000) 1.312 16.283 ( 1.157 0.000 0.000) 1.157 16.299 ( -0.471 0.000 0.000) 0.471 17.274 ( 0.877 0.000 0.000) 0.877 17.291 ( -0.663 0.000 0.000) 0.663 17.404 ( 0.921 0.000 0.000) 0.921 17.428 ( -1.553 0.000 0.000) 1.553 17.474 ( 0.162 0.000 0.000) 0.162 17.474 ( 0.158 0.000 0.000) 0.158 17.658 ( 1.766 0.000 0.000) 1.766 17.669 ( 3.295 0.000 0.000) 3.295 17.684 ( -0.227 0.000 0.000) 0.227 17.701 ( 0.838 0.000 0.000) 0.838 17.710 ( -1.427 0.000 0.000) 1.427 17.786 ( -8.760 0.000 0.000) 8.760 17.849 ( 7.726 0.000 0.000) 7.726 17.966 ( 1.015 0.000 0.000) 1.015 17.997 ( -1.320 0.000 0.000) 1.320 18.010 ( -7.536 0.000 0.000) 7.536 18.488 ( 16.757 0.000 0.000) 16.757 18.794 ( -16.015 0.000 0.000) 16.015 19.255 ( 8.211 0.000 0.000) 8.211 19.366 ( -3.893 0.000 0.000) 3.893 20.111 ( 0.119 0.000 0.000) 0.119 20.114 ( -0.131 0.000 0.000) 0.131 20.291 ( 0.140 0.000 0.000) 0.140 20.294 ( -0.155 0.000 0.000) 0.155 ======================= Grid point 3 (3/30) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.507 ( 0.000 23.955 0.000) 23.955 0.625 ( 0.000 29.753 0.000) 29.753 1.101 ( 0.000 47.430 0.000) 47.430 1.397 ( 0.000 10.591 0.000) 10.591 1.422 ( 0.000 12.358 0.000) 12.358 1.446 ( 0.000 23.359 0.000) 23.359 1.641 ( 0.000 7.114 0.000) 7.114 1.670 ( 0.000 8.565 0.000) 8.565 1.881 ( 0.000 -1.608 0.000) 1.608 1.890 ( 0.000 8.884 0.000) 8.884 1.916 ( 0.000 -0.492 0.000) 0.492 2.118 ( 0.000 4.319 0.000) 4.319 2.138 ( 0.000 -2.817 0.000) 2.817 2.197 ( 0.000 -8.150 0.000) 8.150 2.300 ( 0.000 -2.473 0.000) 2.473 2.384 ( 0.000 6.526 0.000) 6.526 2.451 ( 0.000 5.208 0.000) 5.208 2.456 ( 0.000 3.670 0.000) 3.670 2.508 ( 0.000 8.063 0.000) 8.063 2.572 ( 0.000 10.091 0.000) 10.091 2.592 ( 0.000 1.143 0.000) 1.143 2.696 ( 0.000 5.333 0.000) 5.333 2.702 ( 0.000 2.369 0.000) 2.369 2.754 ( 0.000 5.624 0.000) 5.624 2.812 ( 0.000 4.202 0.000) 4.202 2.823 ( 0.000 6.116 0.000) 6.116 2.875 ( 0.000 0.795 0.000) 0.795 2.942 ( 0.000 2.968 0.000) 2.968 2.946 ( 0.000 3.727 0.000) 3.727 3.031 ( 0.000 2.920 0.000) 2.920 3.130 ( 0.000 4.691 0.000) 4.691 3.142 ( 0.000 -1.991 0.000) 1.991 3.182 ( 0.000 4.931 0.000) 4.931 3.191 ( 0.000 6.185 0.000) 6.185 3.215 ( 0.000 0.985 0.000) 0.985 3.254 ( 0.000 2.506 0.000) 2.506 3.314 ( 0.000 5.055 0.000) 5.055 3.357 ( 0.000 2.252 0.000) 2.252 3.453 ( 0.000 5.560 0.000) 5.560 3.460 ( 0.000 -2.034 0.000) 2.034 3.626 ( 0.000 4.297 0.000) 4.297 3.635 ( 0.000 5.373 0.000) 5.373 3.671 ( 0.000 5.435 0.000) 5.435 3.691 ( 0.000 -0.023 0.000) 0.023 3.716 ( 0.000 2.113 0.000) 2.113 3.823 ( 0.000 -3.958 0.000) 3.958 3.864 ( 0.000 1.001 0.000) 1.001 3.913 ( 0.000 -0.250 0.000) 0.250 3.926 ( 0.000 3.431 0.000) 3.431 4.003 ( 0.000 3.576 0.000) 3.576 4.049 ( 0.000 4.688 0.000) 4.688 4.065 ( 0.000 3.104 0.000) 3.104 4.127 ( 0.000 1.977 0.000) 1.977 4.212 ( 0.000 -1.261 0.000) 1.261 4.274 ( 0.000 -1.632 0.000) 1.632 4.321 ( 0.000 -1.247 0.000) 1.247 4.359 ( 0.000 -1.852 0.000) 1.852 4.389 ( 0.000 1.913 0.000) 1.913 4.467 ( 0.000 -5.775 0.000) 5.775 4.557 ( 0.000 -2.398 0.000) 2.398 4.745 ( 0.000 -7.573 0.000) 7.573 4.752 ( 0.000 4.562 0.000) 4.562 4.842 ( 0.000 -7.522 0.000) 7.522 4.891 ( 0.000 -3.847 0.000) 3.847 4.943 ( 0.000 -1.962 0.000) 1.962 4.968 ( 0.000 -2.942 0.000) 2.942 5.005 ( 0.000 -3.747 0.000) 3.747 5.010 ( 0.000 -3.881 0.000) 3.881 5.112 ( 0.000 0.231 0.000) 0.231 5.129 ( 0.000 0.679 0.000) 0.679 5.172 ( 0.000 0.851 0.000) 0.851 5.223 ( 0.000 0.037 0.000) 0.037 5.283 ( 0.000 1.283 0.000) 1.283 5.305 ( 0.000 1.376 0.000) 1.376 5.335 ( 0.000 2.498 0.000) 2.498 5.388 ( 0.000 3.947 0.000) 3.947 5.415 ( 0.000 2.802 0.000) 2.802 5.548 ( 0.000 -5.782 0.000) 5.782 5.745 ( 0.000 -7.234 0.000) 7.234 5.812 ( 0.000 -3.508 0.000) 3.508 5.941 ( 0.000 -2.975 0.000) 2.975 5.992 ( 0.000 0.343 0.000) 0.343 6.016 ( 0.000 1.919 0.000) 1.919 6.023 ( 0.000 -2.741 0.000) 2.741 6.122 ( 0.000 0.020 0.000) 0.020 6.174 ( 0.000 -4.413 0.000) 4.413 6.190 ( 0.000 -2.615 0.000) 2.615 6.247 ( 0.000 -3.184 0.000) 3.184 6.272 ( 0.000 0.993 0.000) 0.993 6.277 ( 0.000 -6.003 0.000) 6.003 6.374 ( 0.000 0.102 0.000) 0.102 6.414 ( 0.000 -5.005 0.000) 5.005 6.424 ( 0.000 -1.940 0.000) 1.940 6.469 ( 0.000 -4.424 0.000) 4.424 6.568 ( 0.000 0.853 0.000) 0.853 6.598 ( 0.000 -0.686 0.000) 0.686 6.615 ( 0.000 -0.052 0.000) 0.052 6.786 ( 0.000 0.755 0.000) 0.755 6.792 ( 0.000 -3.642 0.000) 3.642 6.870 ( 0.000 0.144 0.000) 0.144 6.896 ( 0.000 -3.644 0.000) 3.644 6.938 ( 0.000 2.033 0.000) 2.033 6.952 ( 0.000 -0.939 0.000) 0.939 6.964 ( 0.000 -2.951 0.000) 2.951 7.072 ( 0.000 -0.786 0.000) 0.786 7.116 ( 0.000 2.262 0.000) 2.262 7.156 ( 0.000 -1.966 0.000) 1.966 7.204 ( 0.000 -4.081 0.000) 4.081 7.265 ( 0.000 4.011 0.000) 4.011 7.328 ( 0.000 -0.257 0.000) 0.257 7.362 ( 0.000 0.454 0.000) 0.454 7.408 ( 0.000 3.222 0.000) 3.222 7.427 ( 0.000 2.906 0.000) 2.906 7.478 ( 0.000 2.331 0.000) 2.331 7.486 ( 0.000 1.921 0.000) 1.921 7.521 ( 0.000 4.340 0.000) 4.340 7.525 ( 0.000 6.767 0.000) 6.767 7.580 ( 0.000 8.637 0.000) 8.637 7.722 ( 0.000 9.780 0.000) 9.780 8.224 ( 0.000 -5.743 0.000) 5.743 9.004 ( 0.000 1.883 0.000) 1.883 9.035 ( 0.000 2.591 0.000) 2.591 9.172 ( 0.000 -1.007 0.000) 1.007 9.243 ( 0.000 1.722 0.000) 1.722 9.272 ( 0.000 3.631 0.000) 3.631 9.327 ( 0.000 3.322 0.000) 3.322 9.395 ( 0.000 1.906 0.000) 1.906 9.410 ( 0.000 0.579 0.000) 0.579 9.571 ( 0.000 -1.367 0.000) 1.367 9.612 ( 0.000 -1.917 0.000) 1.917 9.700 ( 0.000 0.907 0.000) 0.907 9.713 ( 0.000 -2.085 0.000) 2.085 9.756 ( 0.000 -3.943 0.000) 3.943 9.809 ( 0.000 -1.821 0.000) 1.821 9.815 ( 0.000 -0.120 0.000) 0.120 9.893 ( 0.000 -0.791 0.000) 0.791 10.141 ( 0.000 -2.404 0.000) 2.404 10.154 ( 0.000 -4.900 0.000) 4.900 10.220 ( 0.000 -3.191 0.000) 3.191 10.228 ( 0.000 -4.715 0.000) 4.715 10.259 ( 0.000 -5.843 0.000) 5.843 10.286 ( 0.000 -4.081 0.000) 4.081 10.302 ( 0.000 -5.650 0.000) 5.650 10.394 ( 0.000 -4.577 0.000) 4.577 11.141 ( 0.000 1.859 0.000) 1.859 11.179 ( 0.000 1.186 0.000) 1.186 11.210 ( 0.000 -2.374 0.000) 2.374 11.243 ( 0.000 -0.046 0.000) 0.046 11.280 ( 0.000 1.502 0.000) 1.502 11.290 ( 0.000 -3.446 0.000) 3.446 11.367 ( 0.000 5.937 0.000) 5.937 11.454 ( 0.000 6.624 0.000) 6.624 11.517 ( 0.000 -2.690 0.000) 2.690 11.529 ( 0.000 -1.907 0.000) 1.907 11.609 ( 0.000 -2.387 0.000) 2.387 11.624 ( 0.000 1.770 0.000) 1.770 11.645 ( 0.000 -0.396 0.000) 0.396 11.681 ( 0.000 0.424 0.000) 0.424 11.730 ( 0.000 -3.877 0.000) 3.877 11.764 ( 0.000 1.445 0.000) 1.445 11.801 ( 0.000 -1.393 0.000) 1.393 11.808 ( 0.000 8.401 0.000) 8.401 11.902 ( 0.000 2.522 0.000) 2.522 11.904 ( 0.000 -6.045 0.000) 6.045 11.989 ( 0.000 1.979 0.000) 1.979 11.995 ( 0.000 3.767 0.000) 3.767 12.026 ( 0.000 4.163 0.000) 4.163 12.103 ( 0.000 3.955 0.000) 3.955 12.112 ( 0.000 2.327 0.000) 2.327 12.167 ( 0.000 0.742 0.000) 0.742 12.175 ( 0.000 6.641 0.000) 6.641 12.229 ( 0.000 8.447 0.000) 8.447 12.247 ( 0.000 0.571 0.000) 0.571 12.280 ( 0.000 5.463 0.000) 5.463 12.303 ( 0.000 3.508 0.000) 3.508 12.326 ( 0.000 1.032 0.000) 1.032 12.342 ( 0.000 5.627 0.000) 5.627 12.416 ( 0.000 -0.727 0.000) 0.727 12.493 ( 0.000 5.703 0.000) 5.703 12.633 ( 0.000 0.631 0.000) 0.631 12.655 ( 0.000 -3.342 0.000) 3.342 13.074 ( 0.000 -0.030 0.000) 0.030 13.077 ( 0.000 -2.222 0.000) 2.222 13.125 ( 0.000 -2.595 0.000) 2.595 16.097 ( 0.000 -0.508 0.000) 0.508 16.099 ( 0.000 -1.378 0.000) 1.378 16.188 ( 0.000 -0.774 0.000) 0.774 16.205 ( 0.000 -1.437 0.000) 1.437 16.222 ( 0.000 -0.350 0.000) 0.350 16.249 ( 0.000 -1.091 0.000) 1.091 16.258 ( 0.000 -2.073 0.000) 2.073 16.283 ( 0.000 -1.656 0.000) 1.656 17.252 ( 0.000 -1.607 0.000) 1.607 17.287 ( 0.000 -1.569 0.000) 1.569 17.407 ( 0.000 -1.399 0.000) 1.399 17.452 ( 0.000 0.659 0.000) 0.659 17.537 ( 0.000 0.354 0.000) 0.354 17.598 ( 0.000 7.532 0.000) 7.532 17.640 ( 0.000 -0.266 0.000) 0.266 17.650 ( 0.000 -0.534 0.000) 0.534 17.726 ( 0.000 5.211 0.000) 5.211 17.731 ( 0.000 6.758 0.000) 6.758 17.807 ( 0.000 9.339 0.000) 9.339 17.920 ( 0.000 11.327 0.000) 11.327 17.966 ( 0.000 0.339 0.000) 0.339 18.038 ( 0.000 9.254 0.000) 9.254 18.067 ( 0.000 -2.345 0.000) 2.345 18.099 ( 0.000 7.431 0.000) 7.431 18.256 ( 0.000 0.672 0.000) 0.672 18.920 ( 0.000 -10.051 0.000) 10.051 18.986 ( 0.000 -9.788 0.000) 9.788 19.319 ( 0.000 -8.103 0.000) 8.103 19.958 ( 0.000 -11.464 0.000) 11.464 20.024 ( 0.000 -3.233 0.000) 3.233 20.038 ( 0.000 -14.569 0.000) 14.569 20.113 ( 0.000 -15.105 0.000) 15.105 ======================= Grid point 4 (4/30) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.795 ( 16.263 22.312 0.000) 27.610 0.854 ( 25.828 16.265 0.000) 30.523 1.138 ( -18.914 14.354 0.000) 23.744 1.178 ( -1.646 31.487 0.000) 31.530 1.265 ( 0.474 28.529 0.000) 28.533 1.537 ( -8.538 9.647 0.000) 12.883 1.589 ( 1.146 6.589 0.000) 6.688 1.708 ( -10.527 -0.471 0.000) 10.537 1.810 ( 6.050 6.520 0.000) 8.894 1.906 ( -2.417 5.218 0.000) 5.751 1.992 ( 9.016 6.875 0.000) 11.338 2.111 ( -1.990 -0.382 0.000) 2.027 2.122 ( 0.184 1.896 0.000) 1.905 2.150 ( -2.066 3.845 0.000) 4.365 2.274 ( -0.745 0.674 0.000) 1.004 2.332 ( -4.749 7.553 0.000) 8.922 2.404 ( -2.556 2.376 0.000) 3.490 2.430 ( -4.589 7.691 0.000) 8.956 2.536 ( 4.321 4.528 0.000) 6.259 2.584 ( 3.800 4.591 0.000) 5.960 2.621 ( 1.235 7.417 0.000) 7.519 2.670 ( -0.240 4.533 0.000) 4.539 2.701 ( 1.044 2.077 0.000) 2.325 2.776 ( 1.552 2.020 0.000) 2.547 2.797 ( -1.626 5.293 0.000) 5.537 2.829 ( -8.144 1.789 0.000) 8.338 2.923 ( 1.944 5.528 0.000) 5.860 2.931 ( -0.497 7.017 0.000) 7.034 2.954 ( 4.486 2.583 0.000) 5.176 3.023 ( -0.807 4.940 0.000) 5.006 3.070 ( -3.611 0.392 0.000) 3.632 3.089 ( -3.743 1.271 0.000) 3.952 3.133 ( 1.557 2.560 0.000) 2.997 3.205 ( -3.070 3.974 0.000) 5.022 3.233 ( -0.505 2.616 0.000) 2.664 3.248 ( -0.990 2.147 0.000) 2.364 3.330 ( 3.653 3.040 0.000) 4.752 3.429 ( 7.047 -1.048 0.000) 7.125 3.443 ( -0.048 0.911 0.000) 0.912 3.507 ( -3.547 0.352 0.000) 3.564 3.596 ( 4.549 7.556 0.000) 8.820 3.641 ( -1.242 5.297 0.000) 5.440 3.679 ( 3.798 2.847 0.000) 4.746 3.709 ( -0.196 0.662 0.000) 0.691 3.758 ( 0.506 5.790 0.000) 5.812 3.835 ( -2.561 2.976 0.000) 3.927 3.875 ( 2.079 4.583 0.000) 5.032 3.931 ( -4.245 3.070 0.000) 5.239 3.961 ( 4.817 3.007 0.000) 5.678 4.005 ( 1.336 1.469 0.000) 1.985 4.062 ( 5.642 -2.438 0.000) 6.146 4.102 ( 1.896 0.054 0.000) 1.897 4.118 ( -1.462 0.889 0.000) 1.711 4.186 ( -3.822 0.893 0.000) 3.925 4.257 ( 0.528 -5.345 0.000) 5.371 4.289 ( -0.768 -1.352 0.000) 1.555 4.381 ( 0.132 1.082 0.000) 1.090 4.417 ( 5.650 -4.470 0.000) 7.205 4.454 ( -0.924 -1.591 0.000) 1.840 4.553 ( -4.238 -3.423 0.000) 5.447 4.720 ( -2.611 0.403 0.000) 2.642 4.744 ( -2.397 -3.587 0.000) 4.314 4.786 ( -0.602 -0.403 0.000) 0.725 4.847 ( -5.161 -0.136 0.000) 5.162 4.938 ( 1.578 -4.400 0.000) 4.675 4.967 ( -1.656 -5.353 0.000) 5.603 5.054 ( 2.623 -6.405 0.000) 6.922 5.095 ( -1.441 -5.506 0.000) 5.691 5.141 ( 1.940 0.573 0.000) 2.023 5.168 ( -0.818 -0.081 0.000) 0.822 5.207 ( 4.214 -0.541 0.000) 4.248 5.256 ( -1.669 0.408 0.000) 1.718 5.294 ( 5.804 -2.578 0.000) 6.351 5.329 ( -0.256 1.500 0.000) 1.521 5.350 ( 5.130 -0.595 0.000) 5.165 5.373 ( -1.109 3.139 0.000) 3.329 5.410 ( 6.418 -3.587 0.000) 7.353 5.573 ( -3.589 -11.085 0.000) 11.652 5.766 ( 4.041 -4.978 0.000) 6.411 5.828 ( -0.822 -4.275 0.000) 4.353 5.947 ( 1.539 -2.012 0.000) 2.533 5.981 ( -1.222 0.646 0.000) 1.382 6.017 ( 0.676 -0.441 0.000) 0.807 6.029 ( -0.244 -1.523 0.000) 1.543 6.129 ( 0.672 -3.176 0.000) 3.246 6.153 ( -1.771 -3.972 0.000) 4.349 6.207 ( 1.604 -2.452 0.000) 2.930 6.236 ( -1.006 -2.757 0.000) 2.935 6.247 ( -0.187 -0.912 0.000) 0.931 6.273 ( -1.765 -4.392 0.000) 4.733 6.401 ( 2.113 -3.444 0.000) 4.041 6.431 ( 0.493 -2.943 0.000) 2.984 6.448 ( 1.765 -1.843 0.000) 2.552 6.470 ( 0.284 -4.478 0.000) 4.487 6.557 ( -0.262 0.893 0.000) 0.931 6.590 ( -2.373 1.749 0.000) 2.947 6.621 ( 2.508 -2.045 0.000) 3.236 6.690 ( -4.974 -1.726 0.000) 5.265 6.846 ( -1.293 0.091 0.000) 1.296 6.849 ( -0.793 -0.580 0.000) 0.983 6.880 ( 2.723 -0.900 0.000) 2.868 6.929 ( -2.010 0.959 0.000) 2.227 6.956 ( 0.669 -2.269 0.000) 2.365 6.967 ( -0.261 -2.560 0.000) 2.574 7.092 ( 1.282 -0.264 0.000) 1.309 7.112 ( -0.720 0.905 0.000) 1.157 7.182 ( 2.363 -1.380 0.000) 2.736 7.212 ( -0.121 -2.883 0.000) 2.885 7.284 ( 1.274 0.902 0.000) 1.561 7.312 ( -0.877 -0.518 0.000) 1.019 7.356 ( 0.407 1.593 0.000) 1.644 7.387 ( -1.936 2.583 0.000) 3.228 7.440 ( 1.231 3.325 0.000) 3.545 7.466 ( -1.305 2.351 0.000) 2.689 7.496 ( 1.505 2.797 0.000) 3.176 7.519 ( -0.468 3.481 0.000) 3.512 7.582 ( 1.094 8.760 0.000) 8.828 7.584 ( 1.376 6.044 0.000) 6.199 7.744 ( 5.775 11.084 0.000) 12.498 7.976 ( -17.936 8.435 0.000) 19.820 9.009 ( 0.568 2.002 0.000) 2.081 9.025 ( -1.021 2.410 0.000) 2.617 9.166 ( 1.254 1.375 0.000) 1.861 9.215 ( -3.456 2.695 0.000) 4.383 9.315 ( 4.093 2.228 0.000) 4.660 9.353 ( 1.036 2.368 0.000) 2.584 9.378 ( 1.117 0.557 0.000) 1.248 9.465 ( 0.054 -0.519 0.000) 0.522 9.497 ( -1.184 0.094 0.000) 1.187 9.593 ( -5.544 0.310 0.000) 5.553 9.671 ( 1.402 -1.937 0.000) 2.391 9.702 ( -1.424 -2.822 0.000) 3.161 9.780 ( 1.465 -1.956 0.000) 2.444 9.802 ( -0.803 -2.194 0.000) 2.336 9.853 ( 2.609 -0.288 0.000) 2.624 9.886 ( -0.918 -0.530 0.000) 1.060 10.130 ( 0.505 -3.225 0.000) 3.264 10.152 ( -0.860 -4.840 0.000) 4.916 10.210 ( -0.586 -3.414 0.000) 3.464 10.217 ( -1.759 -3.870 0.000) 4.251 10.237 ( 0.677 -4.843 0.000) 4.890 10.259 ( -1.460 -5.243 0.000) 5.443 10.353 ( 2.747 -4.940 0.000) 5.652 10.387 ( -0.936 -4.721 0.000) 4.813 11.154 ( 1.399 1.050 0.000) 1.749 11.185 ( -1.821 -0.980 0.000) 2.068 11.195 ( 1.597 1.171 0.000) 1.981 11.229 ( -1.783 0.014 0.000) 1.783 11.288 ( 1.886 2.627 0.000) 3.234 11.318 ( 2.679 -1.855 0.000) 3.259 11.335 ( -2.778 3.762 0.000) 4.677 11.387 ( -4.591 2.220 0.000) 5.099 11.538 ( 2.004 1.873 0.000) 2.743 11.575 ( -0.040 1.626 0.000) 1.626 11.644 ( 1.021 -2.491 0.000) 2.692 11.660 ( 1.018 -3.490 0.000) 3.635 11.679 ( 2.391 4.073 0.000) 4.722 11.693 ( 1.654 -2.116 0.000) 2.686 11.739 ( 1.811 -2.278 0.000) 2.910 11.763 ( -0.175 -0.031 0.000) 0.178 11.817 ( 1.223 3.175 0.000) 3.403 11.843 ( 0.654 -1.786 0.000) 1.901 11.865 ( 0.968 -0.047 0.000) 0.969 11.894 ( -1.341 4.800 0.000) 4.984 11.974 ( -2.201 1.284 0.000) 2.548 11.989 ( -2.533 1.562 0.000) 2.976 12.038 ( 3.397 0.719 0.000) 3.472 12.095 ( -1.754 -0.467 0.000) 1.815 12.108 ( -0.623 4.998 0.000) 5.037 12.116 ( -0.224 4.434 0.000) 4.440 12.212 ( 1.021 2.257 0.000) 2.477 12.244 ( 0.201 6.815 0.000) 6.818 12.255 ( -1.226 3.678 0.000) 3.877 12.282 ( -0.656 5.620 0.000) 5.658 12.308 ( 1.305 2.839 0.000) 3.125 12.327 ( -0.445 0.946 0.000) 1.046 12.339 ( 3.372 3.322 0.000) 4.733 12.403 ( -0.847 5.299 0.000) 5.367 12.475 ( -1.800 2.938 0.000) 3.446 12.508 ( -5.334 2.780 0.000) 6.015 12.816 ( 9.734 -3.156 0.000) 10.233 12.981 ( -7.842 -3.496 0.000) 8.586 13.103 ( 2.144 0.212 0.000) 2.154 13.134 ( -0.587 -1.100 0.000) 1.247 16.098 ( 0.029 -0.759 0.000) 0.760 16.098 ( -0.052 -1.184 0.000) 1.185 16.185 ( 0.355 -0.048 0.000) 0.358 16.201 ( -1.018 -0.320 0.000) 1.067 16.222 ( 0.757 -1.695 0.000) 1.856 16.243 ( -1.256 -1.923 0.000) 2.297 16.265 ( 1.180 -1.363 0.000) 1.803 16.281 ( -0.423 -1.603 0.000) 1.658 17.256 ( 0.726 -1.885 0.000) 2.020 17.276 ( -1.105 -1.837 0.000) 2.144 17.415 ( 0.608 -0.574 0.000) 0.837 17.429 ( -1.154 0.002 0.000) 1.154 17.562 ( 1.474 4.583 0.000) 4.815 17.587 ( -1.200 7.945 0.000) 8.035 17.672 ( 4.043 0.214 0.000) 4.049 17.704 ( 3.665 0.551 0.000) 3.706 17.735 ( -0.151 5.111 0.000) 5.114 17.762 ( 0.416 5.163 0.000) 5.180 17.796 ( -0.108 6.049 0.000) 6.050 17.839 ( -4.633 5.702 0.000) 7.347 17.895 ( -1.721 6.964 0.000) 7.173 17.949 ( -6.892 -1.261 0.000) 7.006 18.109 ( 3.026 11.791 0.000) 12.173 18.138 ( 0.134 9.716 0.000) 9.717 18.427 ( 14.644 -5.174 0.000) 15.531 18.703 ( -14.634 -8.442 0.000) 16.894 19.150 ( 8.758 -9.805 0.000) 13.147 19.274 ( -4.762 -8.571 0.000) 9.805 19.964 ( 0.617 -11.427 0.000) 11.443 19.982 ( -1.496 -9.657 0.000) 9.772 20.090 ( 1.984 -13.785 0.000) 13.927 20.110 ( -0.475 -14.953 0.000) 14.961 ======================= Grid point 6 (5/30) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.977 ( 0.000 19.907 0.000) 19.907 1.239 ( 0.000 28.437 0.000) 28.437 1.542 ( 0.000 -7.640 0.000) 7.640 1.636 ( 0.000 4.135 0.000) 4.135 1.641 ( 0.000 2.330 0.000) 2.330 1.689 ( 0.000 10.485 0.000) 10.485 1.858 ( 0.000 3.166 0.000) 3.166 1.909 ( 0.000 3.387 0.000) 3.387 1.935 ( 0.000 12.792 0.000) 12.792 2.016 ( 0.000 8.327 0.000) 8.327 2.030 ( 0.000 -5.395 0.000) 5.395 2.107 ( 0.000 4.590 0.000) 4.590 2.188 ( 0.000 -3.100 0.000) 3.100 2.197 ( 0.000 21.313 0.000) 21.313 2.222 ( 0.000 3.958 0.000) 3.958 2.505 ( 0.000 2.889 0.000) 2.889 2.537 ( 0.000 1.885 0.000) 1.885 2.579 ( 0.000 4.263 0.000) 4.263 2.657 ( 0.000 6.250 0.000) 6.250 2.682 ( 0.000 10.466 0.000) 10.466 2.711 ( 0.000 9.848 0.000) 9.848 2.763 ( 0.000 0.552 0.000) 0.552 2.826 ( 0.000 1.470 0.000) 1.470 2.852 ( 0.000 2.445 0.000) 2.445 2.917 ( 0.000 6.989 0.000) 6.989 2.921 ( 0.000 8.721 0.000) 8.721 2.975 ( 0.000 1.067 0.000) 1.067 2.994 ( 0.000 12.438 0.000) 12.438 3.082 ( 0.000 1.287 0.000) 1.287 3.133 ( 0.000 6.487 0.000) 6.487 3.172 ( 0.000 3.177 0.000) 3.177 3.220 ( 0.000 2.964 0.000) 2.964 3.276 ( 0.000 2.403 0.000) 2.403 3.330 ( 0.000 5.063 0.000) 5.063 3.345 ( 0.000 8.317 0.000) 8.317 3.423 ( 0.000 9.257 0.000) 9.257 3.430 ( 0.000 4.626 0.000) 4.626 3.482 ( 0.000 11.141 0.000) 11.141 3.509 ( 0.000 3.688 0.000) 3.688 3.518 ( 0.000 6.906 0.000) 6.906 3.664 ( 0.000 -3.378 0.000) 3.378 3.711 ( 0.000 2.566 0.000) 2.566 3.719 ( 0.000 4.381 0.000) 4.381 3.740 ( 0.000 0.787 0.000) 0.787 3.782 ( 0.000 2.297 0.000) 2.297 3.857 ( 0.000 7.140 0.000) 7.140 3.877 ( 0.000 3.960 0.000) 3.960 3.942 ( 0.000 -2.920 0.000) 2.920 3.992 ( 0.000 0.841 0.000) 0.841 4.027 ( 0.000 0.295 0.000) 0.295 4.090 ( 0.000 2.497 0.000) 2.497 4.158 ( 0.000 6.376 0.000) 6.376 4.187 ( 0.000 3.733 0.000) 3.733 4.246 ( 0.000 7.365 0.000) 7.365 4.293 ( 0.000 -4.514 0.000) 4.514 4.307 ( 0.000 0.659 0.000) 0.659 4.330 ( 0.000 2.612 0.000) 2.612 4.377 ( 0.000 0.203 0.000) 0.203 4.452 ( 0.000 -0.865 0.000) 0.865 4.488 ( 0.000 1.208 0.000) 1.208 4.621 ( 0.000 -1.858 0.000) 1.858 4.704 ( 0.000 -5.200 0.000) 5.200 4.789 ( 0.000 -1.076 0.000) 1.076 4.820 ( 0.000 -3.349 0.000) 3.349 4.849 ( 0.000 -6.600 0.000) 6.600 4.892 ( 0.000 -3.945 0.000) 3.945 4.919 ( 0.000 -4.207 0.000) 4.207 4.953 ( 0.000 -0.105 0.000) 0.105 5.065 ( 0.000 -4.175 0.000) 4.175 5.144 ( 0.000 0.349 0.000) 0.349 5.189 ( 0.000 -2.581 0.000) 2.581 5.203 ( 0.000 1.935 0.000) 1.935 5.303 ( 0.000 0.260 0.000) 0.260 5.352 ( 0.000 3.173 0.000) 3.173 5.396 ( 0.000 -3.452 0.000) 3.452 5.428 ( 0.000 4.708 0.000) 4.708 5.450 ( 0.000 2.726 0.000) 2.726 5.520 ( 0.000 5.955 0.000) 5.955 5.663 ( 0.000 0.115 0.000) 0.115 5.707 ( 0.000 -4.127 0.000) 4.127 5.887 ( 0.000 -0.862 0.000) 0.862 5.955 ( 0.000 -2.325 0.000) 2.325 5.977 ( 0.000 -1.226 0.000) 1.226 6.050 ( 0.000 1.061 0.000) 1.061 6.078 ( 0.000 -3.780 0.000) 3.780 6.126 ( 0.000 -3.041 0.000) 3.041 6.130 ( 0.000 -4.668 0.000) 4.668 6.151 ( 0.000 0.590 0.000) 0.590 6.232 ( 0.000 -3.563 0.000) 3.563 6.284 ( 0.000 -0.325 0.000) 0.325 6.299 ( 0.000 -4.621 0.000) 4.621 6.386 ( 0.000 -1.092 0.000) 1.092 6.409 ( 0.000 -1.401 0.000) 1.401 6.412 ( 0.000 1.476 0.000) 1.476 6.566 ( 0.000 -0.361 0.000) 0.361 6.585 ( 0.000 -0.075 0.000) 0.075 6.626 ( 0.000 0.694 0.000) 0.694 6.725 ( 0.000 -2.963 0.000) 2.963 6.771 ( 0.000 -7.662 0.000) 7.662 6.800 ( 0.000 0.800 0.000) 0.800 6.832 ( 0.000 -3.690 0.000) 3.690 6.935 ( 0.000 -0.838 0.000) 0.838 6.947 ( 0.000 0.175 0.000) 0.175 6.977 ( 0.000 1.207 0.000) 1.207 7.052 ( 0.000 -1.620 0.000) 1.620 7.075 ( 0.000 -5.130 0.000) 5.130 7.121 ( 0.000 -1.778 0.000) 1.778 7.136 ( 0.000 -1.674 0.000) 1.674 7.263 ( 0.000 -1.723 0.000) 1.723 7.310 ( 0.000 -3.670 0.000) 3.670 7.354 ( 0.000 0.415 0.000) 0.415 7.431 ( 0.000 -1.006 0.000) 1.006 7.550 ( 0.000 7.461 0.000) 7.461 7.567 ( 0.000 6.262 0.000) 6.262 7.575 ( 0.000 5.870 0.000) 5.870 7.649 ( 0.000 7.405 0.000) 7.405 7.660 ( 0.000 5.287 0.000) 5.287 7.798 ( 0.000 9.908 0.000) 9.908 7.897 ( 0.000 5.818 0.000) 5.818 8.073 ( 0.000 -7.842 0.000) 7.842 9.024 ( 0.000 0.450 0.000) 0.450 9.106 ( 0.000 3.205 0.000) 3.205 9.148 ( 0.000 -1.379 0.000) 1.379 9.304 ( 0.000 3.600 0.000) 3.600 9.312 ( 0.000 -0.840 0.000) 0.840 9.415 ( 0.000 4.856 0.000) 4.856 9.423 ( 0.000 0.159 0.000) 0.159 9.437 ( 0.000 0.347 0.000) 0.347 9.508 ( 0.000 -2.576 0.000) 2.576 9.554 ( 0.000 -3.403 0.000) 3.403 9.618 ( 0.000 -3.708 0.000) 3.708 9.707 ( 0.000 -1.310 0.000) 1.310 9.714 ( 0.000 0.258 0.000) 0.258 9.800 ( 0.000 0.536 0.000) 0.536 9.818 ( 0.000 -0.607 0.000) 0.607 9.876 ( 0.000 -0.827 0.000) 0.827 10.049 ( 0.000 -4.339 0.000) 4.339 10.070 ( 0.000 -4.087 0.000) 4.087 10.108 ( 0.000 -7.582 0.000) 7.582 10.137 ( 0.000 -2.900 0.000) 2.900 10.139 ( 0.000 -4.251 0.000) 4.251 10.181 ( 0.000 -5.720 0.000) 5.720 10.190 ( 0.000 -3.950 0.000) 3.950 10.279 ( 0.000 -5.519 0.000) 5.519 11.162 ( 0.000 -0.143 0.000) 0.143 11.171 ( 0.000 -0.747 0.000) 0.747 11.219 ( 0.000 1.434 0.000) 1.434 11.232 ( 0.000 -0.889 0.000) 0.889 11.293 ( 0.000 4.967 0.000) 4.967 11.369 ( 0.000 5.635 0.000) 5.635 11.435 ( 0.000 -1.127 0.000) 1.127 11.479 ( 0.000 -1.177 0.000) 1.177 11.516 ( 0.000 0.569 0.000) 0.569 11.572 ( 0.000 0.580 0.000) 0.580 11.592 ( 0.000 5.215 0.000) 5.215 11.595 ( 0.000 -4.396 0.000) 4.396 11.642 ( 0.000 -0.542 0.000) 0.542 11.660 ( 0.000 2.420 0.000) 2.420 11.761 ( 0.000 -1.207 0.000) 1.207 11.761 ( 0.000 -0.807 0.000) 0.807 11.802 ( 0.000 -3.300 0.000) 3.300 11.804 ( 0.000 3.238 0.000) 3.238 11.898 ( 0.000 -1.555 0.000) 1.555 11.977 ( 0.000 5.634 0.000) 5.634 11.990 ( 0.000 -2.594 0.000) 2.594 12.042 ( 0.000 2.864 0.000) 2.864 12.088 ( 0.000 1.194 0.000) 1.194 12.131 ( 0.000 -0.417 0.000) 0.417 12.141 ( 0.000 0.973 0.000) 0.973 12.201 ( 0.000 1.361 0.000) 1.361 12.257 ( 0.000 2.752 0.000) 2.752 12.299 ( 0.000 5.210 0.000) 5.210 12.348 ( 0.000 -1.511 0.000) 1.511 12.385 ( 0.000 4.279 0.000) 4.279 12.401 ( 0.000 4.655 0.000) 4.655 12.416 ( 0.000 2.120 0.000) 2.120 12.499 ( 0.000 12.315 0.000) 12.315 12.527 ( 0.000 11.701 0.000) 11.701 12.605 ( 0.000 -0.419 0.000) 0.419 12.617 ( 0.000 1.411 0.000) 1.411 12.735 ( 0.000 13.927 0.000) 13.927 13.050 ( 0.000 0.012 0.000) 0.012 13.056 ( 0.000 -1.557 0.000) 1.557 13.147 ( 0.000 6.103 0.000) 6.103 16.063 ( 0.000 -1.895 0.000) 1.895 16.084 ( 0.000 -0.704 0.000) 0.704 16.160 ( 0.000 -2.740 0.000) 2.740 16.165 ( 0.000 -1.299 0.000) 1.299 16.198 ( 0.000 -2.554 0.000) 2.554 16.217 ( 0.000 -0.989 0.000) 0.989 16.222 ( 0.000 -1.603 0.000) 1.603 16.241 ( 0.000 -1.908 0.000) 1.908 17.202 ( 0.000 -2.867 0.000) 2.867 17.221 ( 0.000 -4.481 0.000) 4.481 17.360 ( 0.000 -3.052 0.000) 3.052 17.463 ( 0.000 0.107 0.000) 0.107 17.509 ( 0.000 -2.251 0.000) 2.251 17.614 ( 0.000 -0.829 0.000) 0.829 17.642 ( 0.000 0.181 0.000) 0.181 17.796 ( 0.000 5.433 0.000) 5.433 17.809 ( 0.000 1.594 0.000) 1.594 17.843 ( 0.000 1.642 0.000) 1.642 17.960 ( 0.000 -2.815 0.000) 2.815 17.991 ( 0.000 2.524 0.000) 2.524 18.071 ( 0.000 12.713 0.000) 12.713 18.103 ( 0.000 2.890 0.000) 2.890 18.265 ( 0.000 17.277 0.000) 17.277 18.312 ( 0.000 7.524 0.000) 7.524 18.437 ( 0.000 14.992 0.000) 14.992 18.628 ( 0.000 -16.592 0.000) 16.592 18.699 ( 0.000 -16.502 0.000) 16.502 19.148 ( 0.000 -5.370 0.000) 5.370 19.628 ( 0.000 -23.153 0.000) 23.153 19.690 ( 0.000 -11.899 0.000) 11.899 19.757 ( 0.000 -16.834 0.000) 16.834 19.947 ( 0.000 -4.507 0.000) 4.507 ======================= Grid point 7 (6/30) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.159 ( 17.402 12.840 0.000) 21.626 1.303 ( 6.134 23.466 0.000) 24.255 1.482 ( -9.127 11.706 0.000) 14.844 1.563 ( -16.804 4.216 0.000) 17.325 1.575 ( -1.109 -0.307 0.000) 1.151 1.603 ( -6.313 -2.795 0.000) 6.904 1.724 ( 4.733 10.110 0.000) 11.163 1.830 ( -6.348 10.553 0.000) 12.315 1.975 ( 2.601 2.408 0.000) 3.545 2.033 ( -2.991 -1.917 0.000) 3.553 2.148 ( 3.889 3.247 0.000) 5.067 2.163 ( 9.221 8.964 0.000) 12.860 2.192 ( -0.129 1.499 0.000) 1.504 2.242 ( 1.243 14.591 0.000) 14.644 2.303 ( 7.486 5.475 0.000) 9.275 2.454 ( -5.725 3.539 0.000) 6.731 2.587 ( 0.200 4.609 0.000) 4.614 2.613 ( -3.827 6.334 0.000) 7.401 2.645 ( 8.176 5.971 0.000) 10.125 2.657 ( 1.279 5.223 0.000) 5.377 2.715 ( -1.883 7.857 0.000) 8.079 2.764 ( 0.804 5.255 0.000) 5.316 2.797 ( -0.165 3.813 0.000) 3.817 2.833 ( -6.652 2.788 0.000) 7.213 2.863 ( -2.445 3.584 0.000) 4.339 2.880 ( -1.180 8.557 0.000) 8.638 3.000 ( 3.935 4.235 0.000) 5.781 3.040 ( -1.696 1.619 0.000) 2.345 3.092 ( 4.040 4.093 0.000) 5.751 3.127 ( 1.475 6.808 0.000) 6.966 3.173 ( -1.360 6.067 0.000) 6.217 3.218 ( -1.057 7.884 0.000) 7.955 3.259 ( -8.807 5.254 0.000) 10.255 3.264 ( -3.614 5.312 0.000) 6.425 3.294 ( 2.391 3.590 0.000) 4.313 3.406 ( -6.742 6.570 0.000) 9.414 3.431 ( 6.858 3.225 0.000) 7.579 3.476 ( 2.026 9.656 0.000) 9.866 3.515 ( -0.563 7.920 0.000) 7.940 3.530 ( -0.650 3.689 0.000) 3.745 3.704 ( 2.294 -0.161 0.000) 2.300 3.727 ( 1.976 0.690 0.000) 2.093 3.771 ( 2.906 4.793 0.000) 5.605 3.791 ( -0.081 5.512 0.000) 5.512 3.816 ( 4.486 2.188 0.000) 4.991 3.892 ( 3.120 -2.133 0.000) 3.780 3.902 ( -1.623 2.409 0.000) 2.905 3.953 ( 1.189 -0.798 0.000) 1.432 3.982 ( 1.954 -0.870 0.000) 2.139 4.050 ( 2.689 1.933 0.000) 3.312 4.068 ( -2.914 4.022 0.000) 4.967 4.125 ( -1.912 4.202 0.000) 4.616 4.145 ( -2.866 1.304 0.000) 3.148 4.212 ( -4.061 5.014 0.000) 6.452 4.250 ( 0.818 2.007 0.000) 2.167 4.298 ( -3.570 2.433 0.000) 4.320 4.358 ( 4.185 -0.494 0.000) 4.214 4.400 ( 1.113 -0.624 0.000) 1.276 4.461 ( 0.982 3.721 0.000) 3.848 4.502 ( -1.247 -0.844 0.000) 1.506 4.642 ( 2.380 -2.321 0.000) 3.324 4.688 ( -1.898 -2.796 0.000) 3.379 4.775 ( -0.401 -3.180 0.000) 3.206 4.796 ( -2.054 -2.258 0.000) 3.053 4.864 ( 1.409 -8.055 0.000) 8.177 4.886 ( -0.543 -4.227 0.000) 4.262 4.920 ( -1.124 -5.391 0.000) 5.507 4.928 ( -0.738 -0.098 0.000) 0.745 5.118 ( 3.539 -2.141 0.000) 4.136 5.157 ( -0.733 -0.646 0.000) 0.977 5.188 ( 1.682 -2.077 0.000) 2.673 5.209 ( 0.249 -3.518 0.000) 3.526 5.313 ( 1.986 2.134 0.000) 2.915 5.357 ( -0.326 1.537 0.000) 1.571 5.381 ( -0.369 1.465 0.000) 1.511 5.399 ( -3.104 0.529 0.000) 3.149 5.461 ( 1.228 5.274 0.000) 5.415 5.496 ( -2.238 6.177 0.000) 6.570 5.690 ( 2.187 -1.553 0.000) 2.682 5.715 ( -0.085 -4.074 0.000) 4.075 5.906 ( 2.121 -0.889 0.000) 2.300 5.945 ( -1.350 -2.075 0.000) 2.476 5.999 ( 1.890 -0.807 0.000) 2.055 6.032 ( -1.656 0.135 0.000) 1.662 6.081 ( 0.696 -2.808 0.000) 2.893 6.106 ( -1.664 -1.888 0.000) 2.517 6.150 ( 1.934 -3.054 0.000) 3.615 6.167 ( 0.889 -1.299 0.000) 1.574 6.224 ( -0.861 -2.405 0.000) 2.554 6.239 ( -2.967 -1.588 0.000) 3.365 6.311 ( 1.531 -4.573 0.000) 4.822 6.351 ( -2.474 -4.037 0.000) 4.735 6.435 ( 1.767 0.926 0.000) 1.995 6.448 ( 1.121 0.629 0.000) 1.285 6.568 ( 1.056 -0.257 0.000) 1.087 6.588 ( 0.615 -0.574 0.000) 0.841 6.617 ( -0.431 0.091 0.000) 0.441 6.665 ( -4.280 0.127 0.000) 4.282 6.774 ( 1.046 -5.817 0.000) 5.910 6.811 ( -2.084 -3.706 0.000) 4.252 6.874 ( 5.048 -0.110 0.000) 5.049 6.926 ( -0.470 -1.040 0.000) 1.141 6.940 ( -0.634 0.295 0.000) 0.699 6.957 ( -1.953 0.634 0.000) 2.053 7.071 ( 0.001 -4.015 0.000) 4.015 7.077 ( -0.143 -1.455 0.000) 1.462 7.136 ( 3.113 -3.756 0.000) 4.879 7.160 ( 1.687 -1.280 0.000) 2.117 7.238 ( -1.727 -2.789 0.000) 3.280 7.259 ( -3.687 -3.675 0.000) 5.205 7.387 ( 2.363 0.221 0.000) 2.373 7.424 ( -1.265 -0.443 0.000) 1.340 7.554 ( 0.423 6.962 0.000) 6.975 7.564 ( -0.542 6.278 0.000) 6.301 7.587 ( 1.455 6.082 0.000) 6.254 7.620 ( -1.820 6.060 0.000) 6.327 7.733 ( 5.259 6.353 0.000) 8.247 7.790 ( -1.077 9.117 0.000) 9.180 7.903 ( 1.713 4.488 0.000) 4.804 7.995 ( -6.978 -3.107 0.000) 7.638 9.044 ( 1.953 1.496 0.000) 2.460 9.083 ( -1.919 2.630 0.000) 3.256 9.188 ( 3.463 -0.129 0.000) 3.465 9.256 ( -3.647 0.614 0.000) 3.699 9.344 ( 2.609 -0.677 0.000) 2.695 9.391 ( -1.942 -0.709 0.000) 2.067 9.414 ( 0.527 4.013 0.000) 4.048 9.457 ( -3.926 1.370 0.000) 4.158 9.505 ( 4.602 -0.469 0.000) 4.626 9.554 ( -0.540 -4.290 0.000) 4.324 9.612 ( 0.137 -2.887 0.000) 2.890 9.656 ( -4.105 1.141 0.000) 4.260 9.739 ( 1.583 -1.663 0.000) 2.296 9.771 ( -1.939 -0.480 0.000) 1.998 9.854 ( 2.523 -0.775 0.000) 2.639 9.879 ( -0.150 -0.480 0.000) 0.503 10.054 ( 0.654 -3.566 0.000) 3.625 10.064 ( -0.479 -3.892 0.000) 3.922 10.106 ( -1.033 -6.115 0.000) 6.202 10.114 ( -1.593 -5.697 0.000) 5.916 10.132 ( 1.084 -3.928 0.000) 4.075 10.158 ( -1.313 -2.658 0.000) 2.965 10.237 ( 2.561 -5.434 0.000) 6.008 10.271 ( -1.074 -5.585 0.000) 5.687 11.162 ( 0.116 -0.329 0.000) 0.349 11.166 ( -0.335 -0.433 0.000) 0.547 11.223 ( 0.332 0.958 0.000) 1.014 11.229 ( -0.259 0.109 0.000) 0.281 11.334 ( 4.039 4.227 0.000) 5.847 11.387 ( 2.012 5.032 0.000) 5.419 11.414 ( -3.369 3.030 0.000) 4.531 11.442 ( -4.059 1.763 0.000) 4.425 11.548 ( 2.428 -1.041 0.000) 2.642 11.570 ( 1.347 -2.010 0.000) 2.419 11.597 ( 0.721 -1.432 0.000) 1.603 11.607 ( 0.220 0.884 0.000) 0.911 11.658 ( 3.083 -3.099 0.000) 4.372 11.720 ( 3.748 1.221 0.000) 3.942 11.739 ( -1.734 -1.558 0.000) 2.332 11.770 ( -4.052 -0.792 0.000) 4.129 11.782 ( 0.160 -0.913 0.000) 0.927 11.799 ( 0.937 -0.336 0.000) 0.996 11.920 ( 2.185 -0.998 0.000) 2.402 11.960 ( -1.067 2.528 0.000) 2.744 11.982 ( -0.798 0.305 0.000) 0.854 12.003 ( -3.199 2.022 0.000) 3.785 12.084 ( -0.459 1.468 0.000) 1.538 12.099 ( -1.742 0.185 0.000) 1.752 12.170 ( 2.890 3.076 0.000) 4.220 12.204 ( -0.320 2.634 0.000) 2.654 12.253 ( 0.309 1.497 0.000) 1.528 12.287 ( -2.548 1.219 0.000) 2.824 12.359 ( 1.950 2.239 0.000) 2.969 12.393 ( -0.354 2.951 0.000) 2.973 12.402 ( 0.391 4.946 0.000) 4.961 12.442 ( 3.134 6.034 0.000) 6.799 12.451 ( -3.118 8.403 0.000) 8.963 12.499 ( -3.775 4.939 0.000) 6.216 12.609 ( 4.899 11.690 0.000) 12.675 12.693 ( -3.760 13.380 0.000) 13.898 12.756 ( 8.259 -1.943 0.000) 8.485 12.913 ( -8.530 -2.475 0.000) 8.882 13.137 ( 2.667 2.273 0.000) 3.504 13.155 ( 0.302 5.072 0.000) 5.081 16.067 ( 0.419 -1.682 0.000) 1.733 16.077 ( -0.616 -1.124 0.000) 1.282 16.166 ( 0.686 -2.485 0.000) 2.578 16.175 ( 0.627 -1.344 0.000) 1.483 16.187 ( -0.554 -2.199 0.000) 2.267 16.202 ( -1.236 -1.030 0.000) 1.609 16.232 ( 0.706 -1.764 0.000) 1.900 16.241 ( -0.192 -1.905 0.000) 1.915 17.198 ( 0.093 -3.370 0.000) 3.371 17.210 ( -1.006 -4.061 0.000) 4.183 17.386 ( 2.073 -2.229 0.000) 3.044 17.422 ( -2.111 -0.860 0.000) 2.280 17.590 ( 5.481 -1.975 0.000) 5.826 17.644 ( 2.012 -3.693 0.000) 4.206 17.675 ( 3.003 0.168 0.000) 3.007 17.713 ( -3.698 2.777 0.000) 4.625 17.815 ( -3.418 1.728 0.000) 3.830 17.844 ( -6.220 -0.564 0.000) 6.245 17.921 ( 5.042 5.617 0.000) 7.548 17.977 ( 1.513 7.743 0.000) 7.889 18.052 ( -0.723 9.691 0.000) 9.718 18.140 ( -7.015 10.401 0.000) 12.546 18.271 ( 7.988 0.607 0.000) 8.011 18.360 ( 2.614 7.832 0.000) 8.257 18.425 ( -1.547 6.144 0.000) 6.336 18.485 ( -7.339 -6.458 0.000) 9.776 18.890 ( 11.979 -11.859 0.000) 16.856 19.076 ( -7.560 -7.052 0.000) 10.338 19.639 ( 1.096 -21.665 0.000) 21.693 19.666 ( -1.743 -17.415 0.000) 17.502 19.807 ( 4.466 -10.683 0.000) 11.579 19.897 ( -4.711 -5.781 0.000) 7.457 ======================= Grid point 9 (7/30) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.291 ( 0.000 -5.766 0.000) 5.766 1.308 ( 0.000 4.634 0.000) 4.634 1.430 ( 0.000 -13.932 0.000) 13.932 1.625 ( 0.000 -1.201 0.000) 1.201 1.775 ( 0.000 8.404 0.000) 8.404 1.812 ( 0.000 -2.991 0.000) 2.991 1.909 ( 0.000 5.319 0.000) 5.319 1.921 ( 0.000 1.450 0.000) 1.450 1.992 ( 0.000 9.935 0.000) 9.935 2.110 ( 0.000 -3.693 0.000) 3.693 2.182 ( 0.000 6.226 0.000) 6.226 2.240 ( 0.000 10.059 0.000) 10.059 2.250 ( 0.000 14.812 0.000) 14.812 2.352 ( 0.000 9.417 0.000) 9.417 2.486 ( 0.000 4.127 0.000) 4.127 2.507 ( 0.000 0.727 0.000) 0.727 2.585 ( 0.000 3.039 0.000) 3.039 2.648 ( 0.000 0.947 0.000) 0.947 2.717 ( 0.000 -1.133 0.000) 1.133 2.757 ( 0.000 -2.671 0.000) 2.671 2.848 ( 0.000 2.793 0.000) 2.793 2.888 ( 0.000 7.404 0.000) 7.404 2.912 ( 0.000 -0.968 0.000) 0.968 2.928 ( 0.000 6.787 0.000) 6.787 2.965 ( 0.000 2.684 0.000) 2.684 3.055 ( 0.000 2.755 0.000) 2.755 3.090 ( 0.000 0.415 0.000) 0.415 3.101 ( 0.000 -0.876 0.000) 0.876 3.149 ( 0.000 2.370 0.000) 2.370 3.230 ( 0.000 1.638 0.000) 1.638 3.274 ( 0.000 5.771 0.000) 5.771 3.298 ( 0.000 6.908 0.000) 6.908 3.309 ( 0.000 4.693 0.000) 4.693 3.391 ( 0.000 1.943 0.000) 1.943 3.450 ( 0.000 -3.054 0.000) 3.054 3.468 ( 0.000 4.425 0.000) 4.425 3.558 ( 0.000 1.273 0.000) 1.273 3.582 ( 0.000 1.486 0.000) 1.486 3.645 ( 0.000 6.827 0.000) 6.827 3.656 ( 0.000 0.875 0.000) 0.875 3.670 ( 0.000 6.293 0.000) 6.293 3.707 ( 0.000 -7.597 0.000) 7.597 3.772 ( 0.000 -2.770 0.000) 2.770 3.801 ( 0.000 6.762 0.000) 6.762 3.836 ( 0.000 1.231 0.000) 1.231 3.882 ( 0.000 -0.393 0.000) 0.393 3.910 ( 0.000 -2.234 0.000) 2.234 3.978 ( 0.000 11.450 0.000) 11.450 3.997 ( 0.000 -1.362 0.000) 1.362 4.079 ( 0.000 -0.520 0.000) 0.520 4.109 ( 0.000 1.777 0.000) 1.777 4.203 ( 0.000 3.244 0.000) 3.244 4.248 ( 0.000 1.691 0.000) 1.691 4.319 ( 0.000 3.637 0.000) 3.637 4.357 ( 0.000 5.039 0.000) 5.039 4.385 ( 0.000 -1.091 0.000) 1.091 4.459 ( 0.000 10.903 0.000) 10.903 4.484 ( 0.000 9.886 0.000) 9.886 4.526 ( 0.000 13.284 0.000) 13.284 4.534 ( 0.000 -0.197 0.000) 0.197 4.603 ( 0.000 -5.193 0.000) 5.193 4.644 ( 0.000 0.039 0.000) 0.039 4.722 ( 0.000 -7.711 0.000) 7.711 4.752 ( 0.000 1.229 0.000) 1.229 4.823 ( 0.000 1.987 0.000) 1.987 4.829 ( 0.000 -0.269 0.000) 0.269 4.860 ( 0.000 1.386 0.000) 1.386 4.950 ( 0.000 0.519 0.000) 0.519 5.016 ( 0.000 1.151 0.000) 1.151 5.116 ( 0.000 -4.656 0.000) 4.656 5.157 ( 0.000 2.552 0.000) 2.552 5.263 ( 0.000 3.441 0.000) 3.441 5.362 ( 0.000 5.240 0.000) 5.240 5.385 ( 0.000 2.401 0.000) 2.401 5.455 ( 0.000 5.946 0.000) 5.946 5.516 ( 0.000 5.932 0.000) 5.932 5.574 ( 0.000 5.267 0.000) 5.267 5.667 ( 0.000 7.586 0.000) 7.586 5.700 ( 0.000 2.780 0.000) 2.780 5.706 ( 0.000 3.784 0.000) 3.784 5.901 ( 0.000 1.234 0.000) 1.234 5.918 ( 0.000 -2.078 0.000) 2.078 5.942 ( 0.000 -2.271 0.000) 2.271 5.993 ( 0.000 -3.260 0.000) 3.260 6.033 ( 0.000 -3.473 0.000) 3.473 6.055 ( 0.000 -4.154 0.000) 4.154 6.068 ( 0.000 0.700 0.000) 0.700 6.127 ( 0.000 -5.665 0.000) 5.665 6.144 ( 0.000 -1.395 0.000) 1.395 6.196 ( 0.000 -5.739 0.000) 5.739 6.257 ( 0.000 -2.557 0.000) 2.557 6.367 ( 0.000 -3.008 0.000) 3.008 6.375 ( 0.000 -0.193 0.000) 0.193 6.437 ( 0.000 0.163 0.000) 0.163 6.564 ( 0.000 0.369 0.000) 0.369 6.599 ( 0.000 -5.653 0.000) 5.653 6.606 ( 0.000 1.066 0.000) 1.066 6.649 ( 0.000 -0.651 0.000) 0.651 6.661 ( 0.000 -2.456 0.000) 2.456 6.734 ( 0.000 -4.668 0.000) 4.668 6.840 ( 0.000 2.313 0.000) 2.313 6.906 ( 0.000 -1.847 0.000) 1.847 6.934 ( 0.000 -4.668 0.000) 4.668 6.964 ( 0.000 1.535 0.000) 1.535 6.999 ( 0.000 -2.679 0.000) 2.679 7.017 ( 0.000 0.050 0.000) 0.050 7.068 ( 0.000 -2.338 0.000) 2.338 7.142 ( 0.000 1.777 0.000) 1.777 7.221 ( 0.000 -2.405 0.000) 2.405 7.236 ( 0.000 -3.115 0.000) 3.115 7.336 ( 0.000 -1.894 0.000) 1.894 7.379 ( 0.000 -4.306 0.000) 4.306 7.681 ( 0.000 4.005 0.000) 4.005 7.682 ( 0.000 4.403 0.000) 4.403 7.702 ( 0.000 4.868 0.000) 4.868 7.730 ( 0.000 1.556 0.000) 1.556 7.801 ( 0.000 6.560 0.000) 6.560 7.932 ( 0.000 -3.077 0.000) 3.077 7.962 ( 0.000 3.938 0.000) 3.938 7.963 ( 0.000 1.015 0.000) 1.015 9.039 ( 0.000 1.189 0.000) 1.189 9.119 ( 0.000 -1.095 0.000) 1.095 9.155 ( 0.000 1.302 0.000) 1.302 9.253 ( 0.000 -3.832 0.000) 3.832 9.364 ( 0.000 0.238 0.000) 0.238 9.378 ( 0.000 -1.225 0.000) 1.225 9.384 ( 0.000 -3.569 0.000) 3.569 9.484 ( 0.000 -1.483 0.000) 1.483 9.503 ( 0.000 2.778 0.000) 2.778 9.547 ( 0.000 4.048 0.000) 4.048 9.622 ( 0.000 0.859 0.000) 0.859 9.666 ( 0.000 -2.074 0.000) 2.074 9.706 ( 0.000 -0.674 0.000) 0.674 9.783 ( 0.000 -2.153 0.000) 2.153 9.809 ( 0.000 0.200 0.000) 0.200 9.855 ( 0.000 -1.526 0.000) 1.526 9.958 ( 0.000 -4.807 0.000) 4.807 9.985 ( 0.000 -3.754 0.000) 3.754 9.985 ( 0.000 -3.192 0.000) 3.192 10.071 ( 0.000 -4.172 0.000) 4.172 10.085 ( 0.000 -0.388 0.000) 0.388 10.118 ( 0.000 0.436 0.000) 0.436 10.143 ( 0.000 -0.718 0.000) 0.718 10.181 ( 0.000 -3.814 0.000) 3.814 11.158 ( 0.000 0.875 0.000) 0.875 11.182 ( 0.000 1.452 0.000) 1.452 11.246 ( 0.000 1.248 0.000) 1.248 11.253 ( 0.000 2.413 0.000) 2.413 11.372 ( 0.000 -1.175 0.000) 1.175 11.398 ( 0.000 -0.081 0.000) 0.081 11.440 ( 0.000 -2.000 0.000) 2.000 11.479 ( 0.000 3.431 0.000) 3.431 11.520 ( 0.000 0.021 0.000) 0.021 11.525 ( 0.000 -1.200 0.000) 1.200 11.586 ( 0.000 0.473 0.000) 0.473 11.621 ( 0.000 -0.869 0.000) 0.869 11.636 ( 0.000 -0.656 0.000) 0.656 11.715 ( 0.000 1.139 0.000) 1.139 11.753 ( 0.000 0.152 0.000) 0.152 11.760 ( 0.000 1.457 0.000) 1.457 11.772 ( 0.000 0.621 0.000) 0.621 11.823 ( 0.000 -1.745 0.000) 1.745 11.862 ( 0.000 -1.199 0.000) 1.199 11.961 ( 0.000 -0.048 0.000) 0.048 12.002 ( 0.000 -2.505 0.000) 2.505 12.068 ( 0.000 0.210 0.000) 0.210 12.098 ( 0.000 -2.118 0.000) 2.118 12.124 ( 0.000 2.985 0.000) 2.985 12.207 ( 0.000 3.320 0.000) 3.320 12.237 ( 0.000 2.533 0.000) 2.533 12.238 ( 0.000 -4.193 0.000) 4.193 12.299 ( 0.000 -1.774 0.000) 1.774 12.396 ( 0.000 2.124 0.000) 2.124 12.417 ( 0.000 -0.147 0.000) 0.147 12.494 ( 0.000 4.072 0.000) 4.072 12.509 ( 0.000 5.946 0.000) 5.946 12.617 ( 0.000 2.740 0.000) 2.740 12.654 ( 0.000 2.140 0.000) 2.140 12.765 ( 0.000 11.015 0.000) 11.015 12.785 ( 0.000 11.841 0.000) 11.841 13.056 ( 0.000 10.613 0.000) 10.613 13.057 ( 0.000 1.547 0.000) 1.547 13.074 ( 0.000 6.186 0.000) 6.186 13.327 ( 0.000 9.037 0.000) 9.037 16.029 ( 0.000 -1.172 0.000) 1.172 16.072 ( 0.000 -0.457 0.000) 0.457 16.100 ( 0.000 -2.688 0.000) 2.688 16.138 ( 0.000 -1.522 0.000) 1.522 16.145 ( 0.000 -1.802 0.000) 1.802 16.181 ( 0.000 -1.925 0.000) 1.925 16.200 ( 0.000 -0.697 0.000) 0.697 16.213 ( 0.000 -0.964 0.000) 0.964 17.132 ( 0.000 -2.922 0.000) 2.922 17.155 ( 0.000 -0.783 0.000) 0.783 17.300 ( 0.000 -1.861 0.000) 1.861 17.446 ( 0.000 -1.724 0.000) 1.724 17.449 ( 0.000 -3.365 0.000) 3.365 17.559 ( 0.000 -6.422 0.000) 6.422 17.618 ( 0.000 -4.725 0.000) 4.725 17.688 ( 0.000 -8.400 0.000) 8.400 17.815 ( 0.000 0.472 0.000) 0.472 17.908 ( 0.000 1.407 0.000) 1.407 17.917 ( 0.000 -1.161 0.000) 1.161 18.050 ( 0.000 4.650 0.000) 4.650 18.197 ( 0.000 0.003 0.000) 0.003 18.259 ( 0.000 -6.549 0.000) 6.549 18.287 ( 0.000 -10.213 0.000) 10.213 18.373 ( 0.000 4.655 0.000) 4.655 18.381 ( 0.000 -6.032 0.000) 6.032 18.634 ( 0.000 16.922 0.000) 16.922 18.782 ( 0.000 14.261 0.000) 14.261 19.122 ( 0.000 -16.711 0.000) 16.711 19.211 ( 0.000 4.597 0.000) 4.597 19.454 ( 0.000 -11.873 0.000) 11.873 19.489 ( 0.000 -7.692 0.000) 7.692 19.832 ( 0.000 -6.543 0.000) 6.543 ======================= Grid point 10 (8/30) ======================= q-point: ( 0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.318 ( 1.851 -8.721 0.000) 8.915 1.347 ( 3.176 -1.347 0.000) 3.450 1.392 ( -0.630 -6.652 0.000) 6.682 1.517 ( -8.877 -2.590 0.000) 9.247 1.778 ( -0.855 2.425 0.000) 2.571 1.790 ( -0.825 10.544 0.000) 10.576 1.916 ( 3.601 -0.079 0.000) 3.601 1.996 ( -1.985 4.495 0.000) 4.914 2.022 ( 4.374 10.926 0.000) 11.769 2.064 ( -1.520 6.314 0.000) 6.494 2.166 ( -0.034 4.881 0.000) 4.881 2.196 ( -1.971 7.782 0.000) 8.028 2.362 ( 7.520 6.673 0.000) 10.054 2.392 ( 3.805 6.862 0.000) 7.846 2.482 ( -2.362 2.557 0.000) 3.481 2.539 ( -3.901 1.148 0.000) 4.066 2.614 ( 2.921 3.117 0.000) 4.272 2.635 ( 1.121 2.116 0.000) 2.395 2.673 ( 2.263 0.534 0.000) 2.325 2.748 ( -2.577 -1.025 0.000) 2.773 2.806 ( -2.862 0.034 0.000) 2.862 2.851 ( -3.282 3.822 0.000) 5.038 2.912 ( 2.349 1.868 0.000) 3.001 2.954 ( -0.912 3.515 0.000) 3.631 2.993 ( 0.692 3.519 0.000) 3.587 3.007 ( -4.212 0.938 0.000) 4.316 3.059 ( 0.381 5.601 0.000) 5.614 3.088 ( -3.780 2.542 0.000) 4.555 3.151 ( 4.308 0.929 0.000) 4.407 3.233 ( -1.931 2.521 0.000) 3.175 3.305 ( 1.733 0.183 0.000) 1.743 3.314 ( 0.922 4.835 0.000) 4.922 3.329 ( 3.543 6.486 0.000) 7.391 3.367 ( -2.706 0.910 0.000) 2.855 3.434 ( 0.813 6.854 0.000) 6.902 3.494 ( -4.420 2.082 0.000) 4.886 3.506 ( -0.845 4.587 0.000) 4.664 3.554 ( -1.667 -0.415 0.000) 1.718 3.601 ( 1.992 1.215 0.000) 2.334 3.647 ( -1.866 -0.634 0.000) 1.971 3.713 ( 5.207 1.743 0.000) 5.491 3.799 ( 1.149 -1.133 0.000) 1.614 3.802 ( 2.114 -1.180 0.000) 2.421 3.832 ( 0.084 -1.769 0.000) 1.771 3.862 ( 1.923 0.544 0.000) 1.999 3.889 ( -0.652 6.634 0.000) 6.666 3.919 ( 2.974 3.131 0.000) 4.318 3.966 ( -1.664 3.331 0.000) 3.724 4.009 ( 3.169 1.045 0.000) 3.337 4.048 ( -2.478 0.279 0.000) 2.494 4.095 ( -1.283 -0.636 0.000) 1.432 4.175 ( -6.411 -0.142 0.000) 6.413 4.193 ( 4.095 5.454 0.000) 6.820 4.318 ( -4.240 5.592 0.000) 7.018 4.372 ( -1.469 7.077 0.000) 7.227 4.395 ( 0.522 5.349 0.000) 5.375 4.457 ( 4.572 0.054 0.000) 4.572 4.484 ( -0.927 11.114 0.000) 11.153 4.499 ( -0.437 5.880 0.000) 5.896 4.530 ( -1.832 0.908 0.000) 2.045 4.620 ( 2.015 -1.362 0.000) 2.432 4.655 ( -0.762 -0.172 0.000) 0.781 4.728 ( 0.901 -3.999 0.000) 4.100 4.749 ( -1.111 -0.571 0.000) 1.249 4.797 ( 1.071 4.455 0.000) 4.582 4.831 ( -2.083 2.911 0.000) 3.579 4.892 ( 3.274 0.381 0.000) 3.296 4.939 ( -1.479 1.069 0.000) 1.825 5.052 ( 2.930 -2.432 0.000) 3.808 5.100 ( -1.917 -4.879 0.000) 5.242 5.171 ( 1.404 2.722 0.000) 3.062 5.211 ( -3.352 3.046 0.000) 4.529 5.379 ( 1.044 3.997 0.000) 4.131 5.389 ( 0.063 3.112 0.000) 3.113 5.466 ( 1.458 6.007 0.000) 6.182 5.503 ( -1.898 6.442 0.000) 6.716 5.593 ( 2.256 5.989 0.000) 6.399 5.641 ( -2.575 6.940 0.000) 7.402 5.706 ( 0.820 3.312 0.000) 3.412 5.713 ( 0.135 3.492 0.000) 3.495 5.908 ( 0.697 0.318 0.000) 0.766 5.922 ( -0.117 -0.662 0.000) 0.672 5.961 ( 1.665 -2.828 0.000) 3.282 5.992 ( -0.754 -3.809 0.000) 3.883 6.035 ( -0.176 -0.998 0.000) 1.014 6.039 ( 0.006 -2.855 0.000) 2.855 6.090 ( 2.276 -3.545 0.000) 4.213 6.131 ( -1.127 -3.918 0.000) 4.077 6.144 ( 1.357 -2.846 0.000) 3.153 6.200 ( -4.360 -2.455 0.000) 5.004 6.222 ( 2.402 -4.407 0.000) 5.019 6.284 ( -4.240 -2.785 0.000) 5.073 6.447 ( 2.363 -0.758 0.000) 2.482 6.456 ( 1.075 0.158 0.000) 1.086 6.550 ( 0.091 -1.031 0.000) 1.035 6.594 ( -3.326 -0.408 0.000) 3.351 6.614 ( 1.946 -0.043 0.000) 1.947 6.633 ( 1.737 -5.386 0.000) 5.659 6.677 ( -0.008 -0.303 0.000) 0.304 6.714 ( -2.613 -4.332 0.000) 5.059 6.881 ( 3.204 0.665 0.000) 3.273 6.911 ( -0.384 -0.382 0.000) 0.541 6.936 ( 2.694 -2.651 0.000) 3.780 6.963 ( -0.440 1.785 0.000) 1.838 6.992 ( -0.649 -2.082 0.000) 2.180 7.036 ( -1.814 -2.479 0.000) 3.072 7.066 ( 2.715 -2.840 0.000) 3.928 7.132 ( -2.149 -1.082 0.000) 2.406 7.188 ( -2.329 -1.330 0.000) 2.682 7.197 ( -1.784 -1.972 0.000) 2.659 7.359 ( 2.231 -3.002 0.000) 3.740 7.388 ( -0.350 -2.909 0.000) 2.930 7.680 ( -0.010 4.249 0.000) 4.249 7.681 ( -0.073 4.506 0.000) 4.506 7.707 ( 0.675 4.052 0.000) 4.108 7.722 ( -0.782 2.752 0.000) 2.861 7.835 ( 3.411 4.079 0.000) 5.318 7.902 ( -3.186 0.016 0.000) 3.186 7.958 ( 0.159 1.757 0.000) 1.764 7.964 ( -0.310 2.281 0.000) 2.302 9.075 ( 3.398 1.391 0.000) 3.672 9.126 ( -1.110 1.354 0.000) 1.751 9.173 ( 3.051 -0.568 0.000) 3.104 9.237 ( -2.490 -2.043 0.000) 3.221 9.320 ( -1.179 -1.043 0.000) 1.575 9.343 ( -2.761 -2.481 0.000) 3.712 9.407 ( 0.528 -4.140 0.000) 4.174 9.440 ( -3.212 -2.738 0.000) 4.221 9.525 ( 2.910 3.809 0.000) 4.793 9.567 ( 0.247 3.097 0.000) 3.107 9.619 ( 0.799 1.367 0.000) 1.583 9.668 ( -2.549 -0.518 0.000) 2.601 9.711 ( 2.533 -0.691 0.000) 2.625 9.767 ( -3.331 0.183 0.000) 3.336 9.815 ( 2.564 -2.330 0.000) 3.465 9.850 ( -0.900 -2.315 0.000) 2.484 9.956 ( 0.132 -4.700 0.000) 4.702 9.970 ( -0.124 -5.474 0.000) 5.476 10.032 ( 1.064 0.202 0.000) 1.083 10.059 ( 3.075 -2.390 0.000) 3.894 10.080 ( -2.863 0.456 0.000) 2.899 10.113 ( -2.164 -2.131 0.000) 3.037 10.155 ( 2.429 -2.184 0.000) 3.266 10.182 ( -0.390 -2.513 0.000) 2.543 11.164 ( 0.568 1.118 0.000) 1.253 11.176 ( -0.597 1.393 0.000) 1.516 11.248 ( 0.162 1.402 0.000) 1.412 11.251 ( -0.196 2.002 0.000) 2.011 11.396 ( 2.063 -1.782 0.000) 2.726 11.424 ( 1.116 -1.337 0.000) 1.741 11.438 ( -0.135 -0.095 0.000) 0.165 11.471 ( -1.327 2.846 0.000) 3.140 11.531 ( 3.190 -1.723 0.000) 3.626 11.549 ( 3.199 -0.272 0.000) 3.211 11.591 ( -0.995 1.435 0.000) 1.746 11.613 ( -0.600 -0.796 0.000) 0.997 11.625 ( -0.572 -0.114 0.000) 0.583 11.677 ( -7.278 -3.299 0.000) 7.991 11.727 ( 1.144 0.192 0.000) 1.160 11.759 ( -2.637 -0.243 0.000) 2.648 11.774 ( 1.219 -0.127 0.000) 1.225 11.786 ( 0.092 -0.120 0.000) 0.151 11.907 ( 3.359 0.091 0.000) 3.360 11.954 ( -1.058 0.448 0.000) 1.149 12.025 ( -1.774 -0.244 0.000) 1.791 12.034 ( -1.066 0.317 0.000) 1.112 12.082 ( 1.759 -0.407 0.000) 1.805 12.133 ( -1.661 2.157 0.000) 2.723 12.220 ( 1.387 0.267 0.000) 1.413 12.237 ( 1.131 2.329 0.000) 2.589 12.260 ( 0.975 -2.972 0.000) 3.128 12.271 ( -1.913 -0.399 0.000) 1.954 12.401 ( 1.042 1.232 0.000) 1.614 12.427 ( -0.661 0.718 0.000) 0.976 12.503 ( 1.681 4.830 0.000) 5.114 12.547 ( -1.969 4.826 0.000) 5.212 12.586 ( 3.816 6.228 0.000) 7.304 12.674 ( -4.691 8.692 0.000) 9.877 12.732 ( 6.087 -0.344 0.000) 6.097 12.880 ( -9.087 0.151 0.000) 9.089 12.896 ( 6.252 13.264 0.000) 14.664 13.011 ( -5.272 15.139 0.000) 16.030 13.215 ( 6.864 4.303 0.000) 8.101 13.304 ( -2.827 7.503 0.000) 8.018 16.036 ( 0.829 -1.018 0.000) 1.313 16.057 ( -1.251 -0.659 0.000) 1.414 16.108 ( 0.876 -2.713 0.000) 2.851 16.127 ( -1.107 -2.490 0.000) 2.725 16.159 ( 1.460 -0.767 0.000) 1.649 16.184 ( -0.859 -0.935 0.000) 1.270 16.196 ( 0.562 -1.344 0.000) 1.457 16.209 ( -0.509 -1.212 0.000) 1.315 17.132 ( 0.323 -2.026 0.000) 2.052 17.146 ( -0.917 -1.016 0.000) 1.368 17.332 ( 3.120 -2.322 0.000) 3.890 17.392 ( -3.173 -1.781 0.000) 3.638 17.491 ( 2.183 -6.244 0.000) 6.615 17.540 ( -3.162 -6.514 0.000) 7.241 17.654 ( 5.129 -5.903 0.000) 7.820 17.712 ( -0.186 -4.636 0.000) 4.639 17.819 ( 1.470 0.186 0.000) 1.481 17.843 ( -1.968 1.916 0.000) 2.746 17.967 ( -1.452 2.910 0.000) 3.252 18.034 ( -1.746 -7.936 0.000) 8.125 18.110 ( -1.678 1.109 0.000) 2.011 18.213 ( -4.089 2.305 0.000) 4.694 18.321 ( 2.212 -6.021 0.000) 6.414 18.364 ( 0.457 -7.687 0.000) 7.701 18.462 ( 5.086 5.354 0.000) 7.385 18.566 ( -5.468 12.396 0.000) 13.548 18.916 ( 11.068 10.952 0.000) 15.570 19.101 ( -7.104 5.455 0.000) 8.957 19.208 ( 4.362 -14.299 0.000) 14.950 19.325 ( -7.338 -12.595 0.000) 14.576 19.634 ( 8.710 -7.176 0.000) 11.285 19.774 ( -5.967 -6.471 0.000) 8.803 ======================= Grid point 12 (9/30) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.113 ( 0.000 -3.753 0.000) 3.753 1.169 ( 0.000 -8.831 0.000) 8.831 1.484 ( 0.000 7.435 0.000) 7.435 1.637 ( 0.000 2.328 0.000) 2.328 1.651 ( 0.000 -8.719 0.000) 8.719 1.707 ( 0.000 -4.188 0.000) 4.188 1.906 ( 0.000 0.615 0.000) 0.615 1.975 ( 0.000 -5.346 0.000) 5.346 2.236 ( 0.000 11.573 0.000) 11.573 2.290 ( 0.000 10.826 0.000) 10.826 2.295 ( 0.000 5.223 0.000) 5.223 2.430 ( 0.000 2.201 0.000) 2.201 2.467 ( 0.000 -4.070 0.000) 4.070 2.506 ( 0.000 12.198 0.000) 12.198 2.523 ( 0.000 0.703 0.000) 0.703 2.587 ( 0.000 -0.823 0.000) 0.823 2.616 ( 0.000 -0.508 0.000) 0.508 2.657 ( 0.000 5.756 0.000) 5.756 2.677 ( 0.000 2.623 0.000) 2.623 2.714 ( 0.000 1.988 0.000) 1.988 2.797 ( 0.000 -4.956 0.000) 4.956 2.916 ( 0.000 -9.589 0.000) 9.589 2.922 ( 0.000 3.715 0.000) 3.715 2.971 ( 0.000 -2.084 0.000) 2.084 3.014 ( 0.000 3.005 0.000) 3.005 3.061 ( 0.000 -2.110 0.000) 2.110 3.107 ( 0.000 5.927 0.000) 5.927 3.175 ( 0.000 1.176 0.000) 1.176 3.189 ( 0.000 1.376 0.000) 1.376 3.206 ( 0.000 -1.826 0.000) 1.826 3.283 ( 0.000 -0.313 0.000) 0.313 3.316 ( 0.000 -3.327 0.000) 3.327 3.394 ( 0.000 -0.251 0.000) 0.251 3.396 ( 0.000 3.522 0.000) 3.522 3.472 ( 0.000 -1.663 0.000) 1.663 3.494 ( 0.000 -1.763 0.000) 1.763 3.506 ( 0.000 -1.689 0.000) 1.689 3.578 ( 0.000 2.709 0.000) 2.709 3.636 ( 0.000 0.848 0.000) 0.848 3.681 ( 0.000 -0.045 0.000) 0.045 3.693 ( 0.000 -4.851 0.000) 4.851 3.704 ( 0.000 -1.788 0.000) 1.788 3.724 ( 0.000 -3.840 0.000) 3.840 3.728 ( 0.000 -4.683 0.000) 4.683 3.845 ( 0.000 6.909 0.000) 6.909 3.927 ( 0.000 5.310 0.000) 5.310 3.982 ( 0.000 -2.819 0.000) 2.819 4.003 ( 0.000 7.234 0.000) 7.234 4.005 ( 0.000 -2.782 0.000) 2.782 4.167 ( 0.000 -7.763 0.000) 7.763 4.208 ( 0.000 3.952 0.000) 3.952 4.278 ( 0.000 -3.482 0.000) 3.482 4.294 ( 0.000 2.848 0.000) 2.848 4.297 ( 0.000 6.708 0.000) 6.708 4.432 ( 0.000 9.098 0.000) 9.098 4.478 ( 0.000 4.161 0.000) 4.161 4.521 ( 0.000 -0.120 0.000) 0.120 4.556 ( 0.000 -3.634 0.000) 3.634 4.592 ( 0.000 3.542 0.000) 3.542 4.651 ( 0.000 5.435 0.000) 5.435 4.665 ( 0.000 4.484 0.000) 4.484 4.673 ( 0.000 2.025 0.000) 2.025 4.719 ( 0.000 -6.138 0.000) 6.138 4.734 ( 0.000 -1.554 0.000) 1.554 4.802 ( 0.000 1.532 0.000) 1.532 4.808 ( 0.000 -2.166 0.000) 2.166 4.959 ( 0.000 6.048 0.000) 6.048 5.016 ( 0.000 3.270 0.000) 3.270 5.070 ( 0.000 2.107 0.000) 2.107 5.106 ( 0.000 2.994 0.000) 2.994 5.238 ( 0.000 4.450 0.000) 4.450 5.303 ( 0.000 -0.572 0.000) 0.572 5.457 ( 0.000 2.637 0.000) 2.637 5.458 ( 0.000 2.642 0.000) 2.642 5.565 ( 0.000 3.638 0.000) 3.638 5.611 ( 0.000 -0.855 0.000) 0.855 5.653 ( 0.000 5.993 0.000) 5.993 5.736 ( 0.000 -1.058 0.000) 1.058 5.822 ( 0.000 5.661 0.000) 5.661 5.827 ( 0.000 6.206 0.000) 6.206 5.889 ( 0.000 -0.423 0.000) 0.423 5.898 ( 0.000 2.240 0.000) 2.240 5.922 ( 0.000 0.008 0.000) 0.008 5.962 ( 0.000 -4.069 0.000) 4.069 5.965 ( 0.000 -0.333 0.000) 0.333 5.991 ( 0.000 -3.615 0.000) 3.615 6.034 ( 0.000 -0.614 0.000) 0.614 6.071 ( 0.000 -2.035 0.000) 2.035 6.072 ( 0.000 -3.894 0.000) 3.894 6.103 ( 0.000 -2.741 0.000) 2.741 6.185 ( 0.000 -0.892 0.000) 0.892 6.272 ( 0.000 -5.822 0.000) 5.822 6.384 ( 0.000 1.197 0.000) 1.197 6.419 ( 0.000 -1.669 0.000) 1.669 6.515 ( 0.000 -0.972 0.000) 0.972 6.552 ( 0.000 -3.100 0.000) 3.100 6.593 ( 0.000 1.304 0.000) 1.304 6.639 ( 0.000 -2.244 0.000) 2.244 6.662 ( 0.000 -0.685 0.000) 0.685 6.662 ( 0.000 0.274 0.000) 0.274 6.863 ( 0.000 -0.098 0.000) 0.098 6.871 ( 0.000 0.279 0.000) 0.279 6.902 ( 0.000 0.425 0.000) 0.425 6.933 ( 0.000 -2.197 0.000) 2.197 7.017 ( 0.000 0.423 0.000) 0.423 7.019 ( 0.000 0.014 0.000) 0.014 7.080 ( 0.000 5.009 0.000) 5.009 7.159 ( 0.000 -1.802 0.000) 1.802 7.174 ( 0.000 -1.092 0.000) 1.092 7.214 ( 0.000 2.401 0.000) 2.401 7.251 ( 0.000 -7.073 0.000) 7.073 7.281 ( 0.000 -3.196 0.000) 3.196 7.732 ( 0.000 1.136 0.000) 1.136 7.734 ( 0.000 1.260 0.000) 1.260 7.746 ( 0.000 0.211 0.000) 0.211 7.750 ( 0.000 0.082 0.000) 0.082 7.899 ( 0.000 1.906 0.000) 1.906 7.902 ( 0.000 0.215 0.000) 0.215 7.979 ( 0.000 1.585 0.000) 1.585 8.009 ( 0.000 -0.078 0.000) 0.078 9.080 ( 0.000 2.679 0.000) 2.679 9.112 ( 0.000 0.263 0.000) 0.263 9.155 ( 0.000 -0.969 0.000) 0.969 9.171 ( 0.000 -3.499 0.000) 3.499 9.331 ( 0.000 -0.794 0.000) 0.794 9.333 ( 0.000 -1.100 0.000) 1.100 9.413 ( 0.000 1.977 0.000) 1.977 9.454 ( 0.000 -1.799 0.000) 1.799 9.542 ( 0.000 1.639 0.000) 1.639 9.590 ( 0.000 -2.831 0.000) 2.831 9.622 ( 0.000 2.700 0.000) 2.700 9.652 ( 0.000 -0.254 0.000) 0.254 9.720 ( 0.000 2.308 0.000) 2.308 9.759 ( 0.000 0.176 0.000) 0.176 9.795 ( 0.000 -1.803 0.000) 1.803 9.796 ( 0.000 -3.717 0.000) 3.717 9.890 ( 0.000 -0.707 0.000) 0.707 9.917 ( 0.000 -2.592 0.000) 2.592 9.975 ( 0.000 1.531 0.000) 1.531 10.014 ( 0.000 -1.829 0.000) 1.829 10.093 ( 0.000 0.722 0.000) 0.722 10.116 ( 0.000 -1.653 0.000) 1.653 10.138 ( 0.000 0.421 0.000) 0.421 10.142 ( 0.000 0.128 0.000) 0.128 11.200 ( 0.000 2.838 0.000) 2.838 11.235 ( 0.000 3.550 0.000) 3.550 11.254 ( 0.000 -1.315 0.000) 1.315 11.307 ( 0.000 1.978 0.000) 1.978 11.318 ( 0.000 -3.192 0.000) 3.192 11.336 ( 0.000 -2.822 0.000) 2.822 11.450 ( 0.000 1.038 0.000) 1.038 11.468 ( 0.000 -1.176 0.000) 1.176 11.526 ( 0.000 0.262 0.000) 0.262 11.536 ( 0.000 -0.889 0.000) 0.889 11.592 ( 0.000 0.324 0.000) 0.324 11.606 ( 0.000 -0.725 0.000) 0.725 11.659 ( 0.000 3.602 0.000) 3.602 11.699 ( 0.000 -0.893 0.000) 0.893 11.732 ( 0.000 -1.436 0.000) 1.436 11.765 ( 0.000 -3.814 0.000) 3.814 11.814 ( 0.000 1.728 0.000) 1.728 11.815 ( 0.000 1.322 0.000) 1.322 11.877 ( 0.000 4.183 0.000) 4.183 11.941 ( 0.000 -2.314 0.000) 2.314 11.975 ( 0.000 1.032 0.000) 1.032 12.032 ( 0.000 -3.653 0.000) 3.653 12.065 ( 0.000 -0.116 0.000) 0.116 12.123 ( 0.000 -5.154 0.000) 5.154 12.202 ( 0.000 3.552 0.000) 3.552 12.247 ( 0.000 -0.405 0.000) 0.405 12.280 ( 0.000 1.042 0.000) 1.042 12.283 ( 0.000 0.250 0.000) 0.250 12.410 ( 0.000 0.125 0.000) 0.125 12.412 ( 0.000 -0.121 0.000) 0.121 12.561 ( 0.000 2.582 0.000) 2.582 12.592 ( 0.000 0.658 0.000) 0.658 12.682 ( 0.000 1.430 0.000) 1.430 12.684 ( 0.000 2.023 0.000) 2.023 12.966 ( 0.000 7.479 0.000) 7.479 12.991 ( 0.000 7.199 0.000) 7.199 13.067 ( 0.000 -1.789 0.000) 1.789 13.078 ( 0.000 -0.788 0.000) 0.788 13.344 ( 0.000 10.029 0.000) 10.029 13.444 ( 0.000 0.856 0.000) 0.856 16.019 ( 0.000 0.368 0.000) 0.368 16.043 ( 0.000 -1.819 0.000) 1.819 16.079 ( 0.000 0.520 0.000) 0.520 16.101 ( 0.000 -1.470 0.000) 1.470 16.133 ( 0.000 0.207 0.000) 0.207 16.148 ( 0.000 -1.170 0.000) 1.170 16.191 ( 0.000 -0.102 0.000) 0.102 16.196 ( 0.000 -0.586 0.000) 0.586 17.143 ( 0.000 4.692 0.000) 4.692 17.201 ( 0.000 5.541 0.000) 5.541 17.307 ( 0.000 1.461 0.000) 1.461 17.318 ( 0.000 -10.478 0.000) 10.478 17.409 ( 0.000 -1.123 0.000) 1.123 17.416 ( 0.000 -2.699 0.000) 2.699 17.429 ( 0.000 -8.926 0.000) 8.926 17.503 ( 0.000 -9.376 0.000) 9.376 17.869 ( 0.000 4.721 0.000) 4.721 17.939 ( 0.000 2.007 0.000) 2.007 17.955 ( 0.000 4.699 0.000) 4.699 18.038 ( 0.000 -7.771 0.000) 7.771 18.074 ( 0.000 -6.622 0.000) 6.622 18.094 ( 0.000 -7.776 0.000) 7.776 18.209 ( 0.000 9.086 0.000) 9.086 18.366 ( 0.000 -2.889 0.000) 2.889 18.533 ( 0.000 6.518 0.000) 6.518 18.700 ( 0.000 -12.281 0.000) 12.281 18.953 ( 0.000 13.333 0.000) 13.333 19.110 ( 0.000 8.533 0.000) 8.533 19.221 ( 0.000 -7.640 0.000) 7.640 19.334 ( 0.000 -7.917 0.000) 7.917 19.448 ( 0.000 11.329 0.000) 11.329 19.668 ( 0.000 -9.202 0.000) 9.202 ======================= Grid point 13 (10/30) ======================= q-point: ( 0.33 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.143 ( 2.634 -4.364 0.000) 5.098 1.171 ( -0.149 -6.761 0.000) 6.763 1.437 ( -2.344 2.831 0.000) 3.676 1.480 ( -7.052 -1.307 0.000) 7.172 1.764 ( 5.123 -0.560 0.000) 5.154 1.805 ( 7.828 -4.828 0.000) 9.197 1.861 ( -4.609 1.022 0.000) 4.721 1.926 ( -5.116 -5.212 0.000) 7.303 2.265 ( 2.990 9.656 0.000) 10.109 2.296 ( 0.059 6.923 0.000) 6.923 2.352 ( 4.394 5.213 0.000) 6.818 2.421 ( -2.365 0.252 0.000) 2.378 2.456 ( 1.293 4.869 0.000) 5.038 2.495 ( -2.286 8.255 0.000) 8.565 2.565 ( 2.707 2.453 0.000) 3.653 2.604 ( -0.939 7.582 0.000) 7.640 2.634 ( 3.687 -1.365 0.000) 3.932 2.670 ( 2.181 2.783 0.000) 3.536 2.700 ( -0.222 3.957 0.000) 3.963 2.707 ( 1.213 -3.087 0.000) 3.317 2.762 ( -0.728 -1.200 0.000) 1.404 2.891 ( -6.338 -2.538 0.000) 6.828 2.921 ( -2.045 -5.888 0.000) 6.233 2.946 ( -3.187 -3.494 0.000) 4.729 2.967 ( 0.280 3.360 0.000) 3.371 3.005 ( -3.011 -0.819 0.000) 3.121 3.107 ( 2.916 1.491 0.000) 3.275 3.161 ( 2.121 -1.528 0.000) 2.614 3.219 ( -1.935 1.085 0.000) 2.218 3.231 ( -0.569 2.216 0.000) 2.288 3.260 ( 0.478 -1.467 0.000) 1.543 3.292 ( -3.238 -4.417 0.000) 5.476 3.372 ( 3.468 3.800 0.000) 5.145 3.451 ( -2.744 1.750 0.000) 3.255 3.496 ( 5.703 -1.193 0.000) 5.826 3.533 ( 4.271 2.068 0.000) 4.745 3.547 ( 2.225 -1.034 0.000) 2.453 3.579 ( -0.651 3.804 0.000) 3.860 3.621 ( -3.585 1.009 0.000) 3.725 3.652 ( -4.763 -2.516 0.000) 5.387 3.701 ( -0.194 -0.453 0.000) 0.493 3.713 ( 1.836 -5.177 0.000) 5.493 3.717 ( -0.375 -3.865 0.000) 3.883 3.749 ( -2.414 2.103 0.000) 3.202 3.773 ( 6.143 -4.112 0.000) 7.392 3.915 ( -6.678 -6.097 0.000) 9.043 3.954 ( 0.860 1.545 0.000) 1.768 3.974 ( -1.363 -0.503 0.000) 1.453 4.112 ( 4.829 4.619 0.000) 6.683 4.162 ( 1.437 0.597 0.000) 1.556 4.178 ( -1.006 6.757 0.000) 6.831 4.260 ( -3.137 5.728 0.000) 6.530 4.319 ( 2.313 3.185 0.000) 3.936 4.351 ( 3.474 -3.764 0.000) 5.122 4.416 ( -3.472 0.949 0.000) 3.599 4.460 ( -0.488 4.099 0.000) 4.128 4.484 ( -0.706 1.735 0.000) 1.873 4.529 ( -2.250 1.514 0.000) 2.711 4.609 ( 0.506 3.679 0.000) 3.714 4.622 ( -0.078 5.858 0.000) 5.859 4.679 ( 1.568 2.035 0.000) 2.569 4.705 ( -0.693 -1.744 0.000) 1.877 4.717 ( 2.207 -2.291 0.000) 3.181 4.762 ( -1.563 -2.632 0.000) 3.061 4.828 ( 5.109 5.358 0.000) 7.403 4.865 ( 3.858 0.517 0.000) 3.893 4.911 ( -3.014 3.786 0.000) 4.840 4.988 ( -5.076 -0.703 0.000) 5.124 5.058 ( 1.234 2.735 0.000) 3.001 5.092 ( -1.625 2.153 0.000) 2.698 5.252 ( 1.025 3.782 0.000) 3.919 5.276 ( -1.896 1.861 0.000) 2.657 5.459 ( 0.377 2.765 0.000) 2.791 5.464 ( 0.116 2.486 0.000) 2.489 5.574 ( 1.104 3.221 0.000) 3.405 5.602 ( -1.477 0.999 0.000) 1.783 5.681 ( 2.705 3.690 0.000) 4.576 5.723 ( -1.523 0.602 0.000) 1.638 5.821 ( 0.506 5.787 0.000) 5.809 5.832 ( -0.204 5.140 0.000) 5.144 5.896 ( 0.464 -0.157 0.000) 0.490 5.901 ( 0.041 1.045 0.000) 1.045 5.928 ( 0.917 -0.544 0.000) 1.066 5.949 ( -1.114 -1.765 0.000) 2.088 5.984 ( 1.254 -1.713 0.000) 2.123 5.997 ( 0.028 -2.916 0.000) 2.916 6.040 ( 1.110 -0.985 0.000) 1.484 6.063 ( -0.926 -3.643 0.000) 3.759 6.084 ( 1.691 -1.382 0.000) 2.184 6.126 ( 0.638 -4.057 0.000) 4.107 6.148 ( -1.170 0.031 0.000) 1.170 6.212 ( -4.647 -4.078 0.000) 6.183 6.422 ( 2.117 -0.757 0.000) 2.248 6.438 ( 0.839 -1.795 0.000) 1.982 6.526 ( 1.276 -0.513 0.000) 1.375 6.550 ( -0.611 -2.382 0.000) 2.459 6.569 ( -0.434 -0.234 0.000) 0.493 6.592 ( -3.001 -2.248 0.000) 3.750 6.674 ( 0.923 0.559 0.000) 1.080 6.686 ( -0.061 -0.234 0.000) 0.242 6.883 ( 2.860 0.253 0.000) 2.871 6.899 ( 2.715 -0.369 0.000) 2.740 6.926 ( 1.811 1.242 0.000) 2.196 6.973 ( -0.479 -2.880 0.000) 2.919 6.975 ( -1.299 0.319 0.000) 1.338 6.998 ( -1.568 -0.874 0.000) 1.795 7.040 ( -1.465 2.162 0.000) 2.612 7.100 ( -5.452 -2.456 0.000) 5.980 7.188 ( 1.367 1.777 0.000) 2.242 7.209 ( -0.808 2.785 0.000) 2.899 7.274 ( 2.785 -4.365 0.000) 5.177 7.304 ( 0.076 -4.651 0.000) 4.651 7.733 ( 0.131 0.935 0.000) 0.944 7.735 ( 0.046 1.086 0.000) 1.087 7.743 ( -0.140 0.366 0.000) 0.392 7.746 ( -0.325 -0.033 0.000) 0.327 7.902 ( 0.352 1.620 0.000) 1.658 7.906 ( 0.080 0.705 0.000) 0.709 7.985 ( 0.684 1.230 0.000) 1.408 8.001 ( -0.819 0.332 0.000) 0.884 9.106 ( 2.762 1.778 0.000) 3.285 9.138 ( 0.951 -0.483 0.000) 1.067 9.175 ( 1.967 0.469 0.000) 2.022 9.192 ( 0.744 -1.626 0.000) 1.789 9.298 ( -1.650 -0.996 0.000) 1.927 9.302 ( -0.840 -1.380 0.000) 1.615 9.363 ( -3.642 0.276 0.000) 3.652 9.391 ( -5.206 -1.971 0.000) 5.567 9.586 ( 3.085 2.153 0.000) 3.762 9.609 ( -0.114 1.632 0.000) 1.636 9.625 ( 1.226 -1.201 0.000) 1.716 9.645 ( -0.924 -1.492 0.000) 1.755 9.724 ( 1.517 2.044 0.000) 2.545 9.773 ( -2.492 -0.538 0.000) 2.550 9.784 ( 1.390 -0.442 0.000) 1.459 9.794 ( -0.147 -2.354 0.000) 2.359 9.881 ( -0.204 -1.664 0.000) 1.677 9.893 ( -1.270 -2.243 0.000) 2.577 10.020 ( 3.088 0.454 0.000) 3.121 10.048 ( 2.121 -1.237 0.000) 2.456 10.087 ( -1.482 1.111 0.000) 1.852 10.116 ( -1.778 1.825 0.000) 2.548 10.121 ( 1.905 -1.532 0.000) 2.445 10.149 ( -0.402 -1.250 0.000) 1.313 11.209 ( 0.816 2.800 0.000) 2.917 11.225 ( -0.825 2.765 0.000) 2.885 11.269 ( 1.311 0.062 0.000) 1.313 11.293 ( -1.094 0.775 0.000) 1.341 11.340 ( 1.007 -1.977 0.000) 2.219 11.343 ( 0.612 -3.295 0.000) 3.351 11.459 ( 1.204 0.391 0.000) 1.266 11.480 ( 0.248 -1.673 0.000) 1.692 11.525 ( 1.043 1.082 0.000) 1.503 11.536 ( 1.132 -0.623 0.000) 1.292 11.592 ( -2.512 -0.318 0.000) 2.532 11.598 ( -1.573 -1.250 0.000) 2.009 11.631 ( -3.110 0.502 0.000) 3.151 11.638 ( -3.291 0.001 0.000) 3.291 11.707 ( 0.831 -1.139 0.000) 1.410 11.720 ( -0.737 -2.167 0.000) 2.289 11.826 ( 0.191 3.255 0.000) 3.260 11.835 ( -0.194 2.837 0.000) 2.844 11.929 ( 4.110 2.309 0.000) 4.714 11.970 ( -0.154 0.465 0.000) 0.490 11.994 ( 1.405 -2.207 0.000) 2.617 12.005 ( -1.776 -2.218 0.000) 2.841 12.065 ( 1.558 -0.239 0.000) 1.576 12.118 ( -2.202 -4.021 0.000) 4.584 12.215 ( 1.982 0.735 0.000) 2.114 12.229 ( -0.241 0.056 0.000) 0.248 12.271 ( -0.980 0.693 0.000) 1.200 12.273 ( -1.102 0.262 0.000) 1.133 12.419 ( 1.240 0.793 0.000) 1.472 12.431 ( 0.493 -0.237 0.000) 0.547 12.590 ( 2.227 3.125 0.000) 3.838 12.619 ( -0.376 0.920 0.000) 0.994 12.694 ( 4.765 3.454 0.000) 5.885 12.727 ( 4.645 -0.223 0.000) 4.650 12.818 ( -7.916 4.797 0.000) 9.256 12.874 ( -10.172 -0.861 0.000) 10.209 13.147 ( 8.589 9.201 0.000) 12.586 13.248 ( 5.177 1.081 0.000) 5.289 13.299 ( -1.765 7.883 0.000) 8.078 13.398 ( -5.038 0.199 0.000) 5.042 16.030 ( 1.066 0.445 0.000) 1.155 16.049 ( -0.155 -0.693 0.000) 0.710 16.065 ( -0.307 -0.589 0.000) 0.664 16.083 ( -1.422 -1.651 0.000) 2.179 16.152 ( 1.467 0.129 0.000) 1.473 16.163 ( 0.941 -0.859 0.000) 1.274 16.182 ( -0.717 -0.111 0.000) 0.725 16.189 ( -0.790 -0.692 0.000) 1.051 17.162 ( 1.813 5.414 0.000) 5.709 17.193 ( -1.106 5.809 0.000) 5.913 17.307 ( 1.329 -1.887 0.000) 2.309 17.341 ( -0.494 -6.691 0.000) 6.709 17.375 ( -1.006 -0.918 0.000) 1.361 17.392 ( -2.231 -5.411 0.000) 5.853 17.450 ( 3.057 -7.577 0.000) 8.171 17.507 ( -1.557 -11.506 0.000) 11.611 17.886 ( 1.827 5.279 0.000) 5.586 17.921 ( -1.690 5.009 0.000) 5.286 17.983 ( 2.671 2.450 0.000) 3.625 18.045 ( 0.141 -0.703 0.000) 0.717 18.092 ( -0.619 -5.011 0.000) 5.049 18.114 ( 3.471 -7.044 0.000) 7.852 18.141 ( -2.577 -1.147 0.000) 2.821 18.246 ( -9.289 -4.510 0.000) 10.326 18.648 ( 9.654 8.672 0.000) 12.977 18.812 ( -0.573 1.946 0.000) 2.028 18.852 ( 2.149 -0.876 0.000) 2.321 19.042 ( -10.610 -8.961 0.000) 13.887 19.252 ( 8.201 11.364 0.000) 14.015 19.391 ( -5.888 11.264 0.000) 12.710 19.472 ( 9.036 -8.603 0.000) 12.477 19.613 ( -5.786 -9.089 0.000) 10.774 ======================= Grid point 27 (11/30) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 0.000 0.000 25.634) 25.634 0.621 ( 0.000 0.000 28.649) 28.649 1.138 ( 0.000 0.000 48.415) 48.415 1.291 ( 0.000 0.000 13.660) 13.660 1.358 ( 0.000 0.000 10.966) 10.966 1.407 ( 0.000 0.000 7.726) 7.726 1.623 ( 0.000 0.000 9.304) 9.304 1.642 ( 0.000 0.000 5.141) 5.141 1.801 ( 0.000 0.000 2.949) 2.949 1.924 ( 0.000 0.000 0.340) 0.340 2.002 ( 0.000 0.000 0.921) 0.921 2.066 ( 0.000 0.000 -13.421) 13.421 2.085 ( 0.000 0.000 3.045) 3.045 2.187 ( 0.000 0.000 -2.246) 2.246 2.213 ( 0.000 0.000 -3.972) 3.972 2.260 ( 0.000 0.000 -6.373) 6.373 2.272 ( 0.000 0.000 0.444) 0.444 2.332 ( 0.000 0.000 -6.971) 6.971 2.384 ( 0.000 0.000 -0.977) 0.977 2.504 ( 0.000 0.000 -3.142) 3.142 2.517 ( 0.000 0.000 -3.126) 3.126 2.568 ( 0.000 0.000 3.209) 3.209 2.603 ( 0.000 0.000 -6.676) 6.676 2.655 ( 0.000 0.000 -3.547) 3.547 2.716 ( 0.000 0.000 -4.598) 4.598 2.787 ( 0.000 0.000 -7.652) 7.652 2.830 ( 0.000 0.000 -0.352) 0.352 2.892 ( 0.000 0.000 -1.392) 1.392 2.921 ( 0.000 0.000 0.250) 0.250 2.933 ( 0.000 0.000 0.054) 0.054 3.100 ( 0.000 0.000 -2.677) 2.677 3.110 ( 0.000 0.000 1.325) 1.325 3.116 ( 0.000 0.000 1.286) 1.286 3.123 ( 0.000 0.000 -3.174) 3.174 3.231 ( 0.000 0.000 2.114) 2.114 3.276 ( 0.000 0.000 5.631) 5.631 3.286 ( 0.000 0.000 2.863) 2.863 3.422 ( 0.000 0.000 -2.862) 2.862 3.429 ( 0.000 0.000 5.008) 5.008 3.457 ( 0.000 0.000 -1.310) 1.310 3.511 ( 0.000 0.000 6.292) 6.292 3.596 ( 0.000 0.000 3.687) 3.687 3.625 ( 0.000 0.000 0.878) 0.878 3.644 ( 0.000 0.000 -1.642) 1.642 3.673 ( 0.000 0.000 -0.842) 0.842 3.792 ( 0.000 0.000 -1.299) 1.299 3.843 ( 0.000 0.000 -0.209) 0.209 3.924 ( 0.000 0.000 0.647) 0.647 3.977 ( 0.000 0.000 -1.238) 1.238 3.977 ( 0.000 0.000 -10.527) 10.527 3.981 ( 0.000 0.000 3.562) 3.562 4.068 ( 0.000 0.000 4.474) 4.474 4.106 ( 0.000 0.000 -6.694) 6.694 4.123 ( 0.000 0.000 -1.090) 1.090 4.195 ( 0.000 0.000 9.163) 9.163 4.393 ( 0.000 0.000 3.630) 3.630 4.401 ( 0.000 0.000 2.646) 2.646 4.441 ( 0.000 0.000 4.477) 4.477 4.565 ( 0.000 0.000 -5.234) 5.234 4.566 ( 0.000 0.000 -0.572) 0.572 4.623 ( 0.000 0.000 -12.613) 12.613 4.634 ( 0.000 0.000 -5.234) 5.234 4.795 ( 0.000 0.000 -10.981) 10.981 4.827 ( 0.000 0.000 -5.196) 5.196 4.952 ( 0.000 0.000 -0.768) 0.768 4.982 ( 0.000 0.000 -1.588) 1.588 5.022 ( 0.000 0.000 0.426) 0.426 5.029 ( 0.000 0.000 1.551) 1.551 5.116 ( 0.000 0.000 2.685) 2.685 5.154 ( 0.000 0.000 0.186) 0.186 5.161 ( 0.000 0.000 1.908) 1.908 5.198 ( 0.000 0.000 0.457) 0.457 5.293 ( 0.000 0.000 -1.296) 1.296 5.328 ( 0.000 0.000 -1.371) 1.371 5.337 ( 0.000 0.000 -0.232) 0.232 5.361 ( 0.000 0.000 3.244) 3.244 5.578 ( 0.000 0.000 -2.450) 2.450 5.684 ( 0.000 0.000 -5.647) 5.647 5.708 ( 0.000 0.000 -4.758) 4.758 5.740 ( 0.000 0.000 -9.190) 9.190 5.920 ( 0.000 0.000 0.066) 0.066 5.981 ( 0.000 0.000 1.966) 1.966 6.071 ( 0.000 0.000 1.405) 1.405 6.103 ( 0.000 0.000 3.288) 3.288 6.142 ( 0.000 0.000 6.116) 6.116 6.184 ( 0.000 0.000 -5.116) 5.116 6.199 ( 0.000 0.000 -1.133) 1.133 6.206 ( 0.000 0.000 2.172) 2.172 6.361 ( 0.000 0.000 -1.428) 1.428 6.384 ( 0.000 0.000 2.124) 2.124 6.404 ( 0.000 0.000 -1.995) 1.995 6.475 ( 0.000 0.000 0.421) 0.421 6.521 ( 0.000 0.000 0.029) 0.029 6.526 ( 0.000 0.000 3.625) 3.625 6.594 ( 0.000 0.000 -2.680) 2.680 6.616 ( 0.000 0.000 -1.414) 1.414 6.626 ( 0.000 0.000 -0.449) 0.449 6.639 ( 0.000 0.000 -1.158) 1.158 6.759 ( 0.000 0.000 -3.183) 3.183 6.848 ( 0.000 0.000 -5.622) 5.622 6.854 ( 0.000 0.000 0.045) 0.045 6.889 ( 0.000 0.000 3.257) 3.257 6.955 ( 0.000 0.000 -3.135) 3.135 6.967 ( 0.000 0.000 3.103) 3.103 7.027 ( 0.000 0.000 1.307) 1.307 7.118 ( 0.000 0.000 1.956) 1.956 7.178 ( 0.000 0.000 -2.168) 2.168 7.193 ( 0.000 0.000 -1.389) 1.389 7.253 ( 0.000 0.000 -2.347) 2.347 7.325 ( 0.000 0.000 2.373) 2.373 7.336 ( 0.000 0.000 -2.306) 2.306 7.339 ( 0.000 0.000 0.303) 0.303 7.415 ( 0.000 0.000 -0.598) 0.598 7.462 ( 0.000 0.000 -0.535) 0.535 7.470 ( 0.000 0.000 -0.449) 0.449 7.479 ( 0.000 0.000 3.632) 3.632 7.525 ( 0.000 0.000 0.748) 0.748 7.571 ( 0.000 0.000 -2.046) 2.046 7.590 ( 0.000 0.000 5.314) 5.314 7.881 ( 0.000 0.000 -6.249) 6.249 9.030 ( 0.000 0.000 4.793) 4.793 9.044 ( 0.000 0.000 3.287) 3.287 9.190 ( 0.000 0.000 1.439) 1.439 9.238 ( 0.000 0.000 0.735) 0.735 9.256 ( 0.000 0.000 2.421) 2.421 9.305 ( 0.000 0.000 2.564) 2.564 9.375 ( 0.000 0.000 -1.429) 1.429 9.425 ( 0.000 0.000 3.316) 3.316 9.548 ( 0.000 0.000 -2.123) 2.123 9.587 ( 0.000 0.000 -4.888) 4.888 9.653 ( 0.000 0.000 -8.471) 8.471 9.668 ( 0.000 0.000 -8.368) 8.368 9.711 ( 0.000 0.000 1.553) 1.553 9.722 ( 0.000 0.000 -7.900) 7.900 9.809 ( 0.000 0.000 -0.954) 0.954 9.825 ( 0.000 0.000 -4.795) 4.795 10.219 ( 0.000 0.000 2.939) 2.939 10.250 ( 0.000 0.000 2.403) 2.403 10.271 ( 0.000 0.000 1.250) 1.250 10.289 ( 0.000 0.000 2.308) 2.308 10.327 ( 0.000 0.000 0.529) 0.529 10.358 ( 0.000 0.000 2.100) 2.100 10.385 ( 0.000 0.000 0.511) 0.511 10.486 ( 0.000 0.000 -0.216) 0.216 11.160 ( 0.000 0.000 -0.248) 0.248 11.183 ( 0.000 0.000 5.593) 5.593 11.210 ( 0.000 0.000 -0.827) 0.827 11.277 ( 0.000 0.000 0.385) 0.385 11.334 ( 0.000 0.000 -1.363) 1.363 11.404 ( 0.000 0.000 7.874) 7.874 11.416 ( 0.000 0.000 8.740) 8.740 11.493 ( 0.000 0.000 -2.577) 2.577 11.543 ( 0.000 0.000 2.338) 2.338 11.558 ( 0.000 0.000 1.111) 1.111 11.621 ( 0.000 0.000 0.377) 0.377 11.680 ( 0.000 0.000 2.029) 2.029 11.696 ( 0.000 0.000 -1.776) 1.776 11.726 ( 0.000 0.000 -0.601) 0.601 11.734 ( 0.000 0.000 0.585) 0.585 11.740 ( 0.000 0.000 -0.320) 0.320 11.749 ( 0.000 0.000 1.342) 1.342 11.801 ( 0.000 0.000 0.505) 0.505 11.855 ( 0.000 0.000 0.669) 0.669 11.879 ( 0.000 0.000 0.224) 0.224 11.926 ( 0.000 0.000 -0.690) 0.690 11.947 ( 0.000 0.000 -1.467) 1.467 11.969 ( 0.000 0.000 1.139) 1.139 12.057 ( 0.000 0.000 -1.363) 1.363 12.099 ( 0.000 0.000 -1.031) 1.031 12.104 ( 0.000 0.000 0.000) 0.000 12.115 ( 0.000 0.000 0.006) 0.006 12.123 ( 0.000 0.000 1.341) 1.341 12.236 ( 0.000 0.000 1.572) 1.572 12.242 ( 0.000 0.000 -1.080) 1.080 12.293 ( 0.000 0.000 2.604) 2.604 12.358 ( 0.000 0.000 4.414) 4.414 12.399 ( 0.000 0.000 -2.387) 2.387 12.399 ( 0.000 0.000 -2.172) 2.172 12.399 ( 0.000 0.000 3.278) 3.278 12.677 ( 0.000 0.000 -2.602) 2.602 12.694 ( 0.000 0.000 5.585) 5.585 13.028 ( 0.000 0.000 -4.400) 4.400 13.102 ( 0.000 0.000 -0.511) 0.511 13.135 ( 0.000 0.000 -1.618) 1.618 16.125 ( 0.000 0.000 1.749) 1.749 16.181 ( 0.000 0.000 0.681) 0.681 16.197 ( 0.000 0.000 0.716) 0.716 16.219 ( 0.000 0.000 -0.006) 0.006 16.268 ( 0.000 0.000 0.455) 0.455 16.289 ( 0.000 0.000 0.728) 0.728 16.291 ( 0.000 0.000 -0.250) 0.250 16.306 ( 0.000 0.000 0.383) 0.383 17.370 ( 0.000 0.000 8.422) 8.422 17.437 ( 0.000 0.000 6.433) 6.433 17.449 ( 0.000 0.000 3.176) 3.176 17.487 ( 0.000 0.000 1.708) 1.708 17.521 ( 0.000 0.000 5.320) 5.320 17.556 ( 0.000 0.000 -0.483) 0.483 17.625 ( 0.000 0.000 -1.275) 1.275 17.663 ( 0.000 0.000 -1.936) 1.936 17.681 ( 0.000 0.000 2.207) 2.207 17.696 ( 0.000 0.000 2.167) 2.167 17.703 ( 0.000 0.000 -2.486) 2.486 17.809 ( 0.000 0.000 2.309) 2.309 17.819 ( 0.000 0.000 -2.161) 2.161 17.890 ( 0.000 0.000 -1.872) 1.872 17.995 ( 0.000 0.000 -1.402) 1.402 18.211 ( 0.000 0.000 -5.689) 5.689 18.471 ( 0.000 0.000 23.552) 23.552 19.076 ( 0.000 0.000 4.345) 4.345 19.115 ( 0.000 0.000 2.598) 2.598 19.449 ( 0.000 0.000 3.426) 3.426 19.871 ( 0.000 0.000 -5.162) 5.162 19.934 ( 0.000 0.000 -14.685) 14.685 20.033 ( 0.000 0.000 -14.810) 14.810 20.092 ( 0.000 0.000 -16.749) 16.749 ======================= Grid point 28 (12/30) ======================= q-point: ( 0.33 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 12.538 0.000 22.998) 26.194 0.778 ( 20.212 0.000 17.032) 26.431 1.035 ( -14.750 0.000 17.026) 22.527 1.180 ( -19.574 0.000 13.405) 23.724 1.341 ( 16.367 0.000 36.201) 39.729 1.536 ( 10.113 0.000 7.725) 12.726 1.540 ( -4.516 0.000 8.567) 9.685 1.726 ( -4.000 0.000 5.737) 6.994 1.866 ( 7.153 0.000 3.886) 8.140 1.905 ( -2.009 0.000 0.218) 2.021 1.932 ( -6.050 0.000 3.236) 6.861 2.019 ( -6.011 0.000 -5.163) 7.924 2.071 ( -0.962 0.000 -3.311) 3.448 2.084 ( -3.809 0.000 -1.856) 4.237 2.226 ( -0.497 0.000 -1.225) 1.322 2.264 ( -0.773 0.000 -6.570) 6.616 2.326 ( 4.270 0.000 -1.137) 4.419 2.336 ( 1.604 0.000 -3.044) 3.441 2.424 ( -2.141 0.000 -1.441) 2.581 2.442 ( 0.551 0.000 -3.049) 3.098 2.535 ( -1.273 0.000 -1.698) 2.122 2.543 ( -0.715 0.000 -5.014) 5.065 2.571 ( 4.790 0.000 -1.799) 5.117 2.651 ( -1.630 0.000 -4.196) 4.502 2.754 ( -3.413 0.000 0.313) 3.427 2.762 ( -4.032 0.000 0.640) 4.082 2.859 ( 6.599 0.000 -3.924) 7.678 2.896 ( 2.256 0.000 0.150) 2.261 2.936 ( -0.238 0.000 -0.324) 0.402 2.955 ( -0.846 0.000 -0.914) 1.245 3.018 ( -1.548 0.000 -4.690) 4.939 3.052 ( -2.076 0.000 -0.988) 2.299 3.082 ( -2.975 0.000 -3.741) 4.780 3.094 ( -4.250 0.000 -4.282) 6.033 3.223 ( 1.800 0.000 1.796) 2.542 3.275 ( -3.053 0.000 2.152) 3.735 3.356 ( 3.140 0.000 0.457) 3.173 3.373 ( 3.241 0.000 -1.203) 3.457 3.470 ( 0.318 0.000 3.774) 3.788 3.508 ( -2.850 0.000 0.947) 3.003 3.587 ( 3.327 0.000 2.205) 3.992 3.602 ( 2.689 0.000 1.374) 3.020 3.637 ( 2.898 0.000 2.257) 3.673 3.649 ( 0.949 0.000 0.133) 0.958 3.751 ( 2.703 0.000 0.488) 2.747 3.787 ( -0.236 0.000 0.826) 0.859 3.859 ( 1.837 0.000 2.150) 2.827 3.907 ( -4.555 0.000 -0.480) 4.580 3.987 ( 2.786 0.000 2.693) 3.875 4.030 ( -1.750 0.000 2.878) 3.368 4.038 ( 6.203 0.000 1.380) 6.355 4.074 ( -0.412 0.000 -4.207) 4.227 4.117 ( 5.207 0.000 -1.519) 5.424 4.148 ( 3.035 0.000 -12.464) 12.828 4.205 ( 1.244 0.000 -0.527) 1.351 4.370 ( -5.011 0.000 1.027) 5.115 4.430 ( -0.861 0.000 3.321) 3.431 4.431 ( -0.207 0.000 1.499) 1.513 4.527 ( 1.264 0.000 -4.540) 4.713 4.581 ( 0.627 0.000 -0.277) 0.686 4.595 ( 1.604 0.000 0.273) 1.627 4.669 ( -7.405 0.000 -6.092) 9.588 4.697 ( 1.464 0.000 -10.120) 10.226 4.823 ( -9.793 0.000 -2.158) 10.028 4.939 ( 3.587 0.000 -6.442) 7.373 4.995 ( -0.933 0.000 -4.858) 4.947 5.045 ( 3.242 0.000 -2.634) 4.178 5.093 ( -0.889 0.000 -1.391) 1.651 5.134 ( 5.959 0.000 -2.033) 6.296 5.147 ( 3.353 0.000 0.103) 3.355 5.183 ( 1.835 0.000 3.313) 3.787 5.226 ( -3.366 0.000 0.427) 3.393 5.287 ( 0.862 0.000 1.605) 1.822 5.300 ( -0.862 0.000 0.997) 1.318 5.361 ( 0.779 0.000 -1.415) 1.615 5.371 ( 0.032 0.000 1.106) 1.107 5.610 ( 1.996 0.000 -6.325) 6.632 5.641 ( -2.133 0.000 -8.118) 8.394 5.771 ( 6.185 0.000 -9.209) 11.093 5.803 ( 3.467 0.000 -7.809) 8.544 5.918 ( -0.330 0.000 0.593) 0.679 5.944 ( -3.169 0.000 2.825) 4.245 6.082 ( 0.422 0.000 2.250) 2.289 6.093 ( -0.920 0.000 2.120) 2.311 6.142 ( 0.771 0.000 2.267) 2.394 6.167 ( -1.497 0.000 -1.544) 2.151 6.203 ( 0.635 0.000 -0.180) 0.660 6.210 ( 0.140 0.000 0.448) 0.469 6.358 ( -0.182 0.000 2.221) 2.229 6.367 ( -0.017 0.000 -0.268) 0.269 6.458 ( 1.948 0.000 -0.929) 2.158 6.470 ( -0.367 0.000 0.195) 0.415 6.508 ( -1.370 0.000 -0.090) 1.373 6.514 ( -1.924 0.000 0.418) 1.969 6.582 ( -0.531 0.000 -0.502) 0.731 6.587 ( 0.230 0.000 -2.998) 3.006 6.631 ( 2.080 0.000 -1.938) 2.843 6.668 ( -0.210 0.000 -2.312) 2.321 6.752 ( -0.406 0.000 -2.575) 2.607 6.784 ( -4.132 0.000 -4.344) 5.995 6.883 ( 3.936 0.000 -0.685) 3.995 6.940 ( -1.650 0.000 -1.526) 2.248 6.948 ( 3.998 0.000 2.129) 4.529 6.996 ( -0.089 0.000 1.304) 1.307 7.062 ( 2.831 0.000 0.522) 2.879 7.102 ( -1.501 0.000 1.017) 1.813 7.168 ( -0.031 0.000 -0.985) 0.986 7.184 ( -1.035 0.000 -0.285) 1.073 7.279 ( 2.907 0.000 -3.047) 4.211 7.318 ( -0.420 0.000 -0.168) 0.453 7.336 ( 0.067 0.000 -1.424) 1.426 7.376 ( -4.332 0.000 -2.021) 4.780 7.396 ( 3.788 0.000 2.579) 4.582 7.437 ( 1.689 0.000 -0.642) 1.807 7.466 ( -0.979 0.000 2.744) 2.913 7.502 ( -2.246 0.000 -0.174) 2.252 7.534 ( 2.501 0.000 0.764) 2.615 7.576 ( -1.583 0.000 4.263) 4.548 7.593 ( 3.775 0.000 0.717) 3.842 7.734 ( -11.150 0.000 0.779) 11.177 9.033 ( 0.123 0.000 4.595) 4.597 9.038 ( -0.471 0.000 3.735) 3.765 9.170 ( 0.708 0.000 1.595) 1.745 9.213 ( -3.197 0.000 2.141) 3.848 9.322 ( 4.569 0.000 1.763) 4.897 9.328 ( 1.275 0.000 2.805) 3.081 9.369 ( 1.414 0.000 -0.632) 1.549 9.471 ( -6.390 0.000 -1.941) 6.678 9.484 ( 5.380 0.000 0.499) 5.403 9.580 ( -3.275 0.000 -3.991) 5.163 9.640 ( -1.179 0.000 -3.328) 3.530 9.644 ( -0.827 0.000 -7.231) 7.279 9.705 ( -0.129 0.000 -4.139) 4.141 9.715 ( -0.674 0.000 -7.246) 7.278 9.801 ( 0.614 0.000 -3.284) 3.341 9.817 ( -0.772 0.000 -4.692) 4.755 10.237 ( 1.803 0.000 2.640) 3.197 10.255 ( 0.633 0.000 2.131) 2.223 10.260 ( -0.773 0.000 1.592) 1.769 10.287 ( -2.377 0.000 1.852) 3.013 10.313 ( 1.549 0.000 1.974) 2.510 10.347 ( -1.549 0.000 2.213) 2.702 10.420 ( 2.474 0.000 0.217) 2.484 10.459 ( -1.920 0.000 0.430) 1.968 11.172 ( 1.429 0.000 -0.045) 1.429 11.191 ( 0.704 0.000 3.766) 3.831 11.214 ( 0.306 0.000 -0.845) 0.899 11.234 ( -3.477 0.000 0.246) 3.486 11.281 ( -1.080 0.000 1.203) 1.616 11.313 ( -4.368 0.000 6.780) 8.065 11.492 ( 1.651 0.000 -0.740) 1.809 11.500 ( 3.591 0.000 7.161) 8.011 11.570 ( -3.171 0.000 1.887) 3.690 11.586 ( -1.800 0.000 6.764) 6.999 11.607 ( 3.358 0.000 1.558) 3.702 11.668 ( 3.577 0.000 0.893) 3.687 11.668 ( -3.032 0.000 -1.001) 3.193 11.714 ( -1.126 0.000 -0.706) 1.329 11.757 ( 2.203 0.000 0.224) 2.214 11.772 ( 1.616 0.000 0.110) 1.620 11.776 ( 1.091 0.000 0.461) 1.185 11.817 ( -2.872 0.000 1.155) 3.096 11.874 ( 2.400 0.000 -0.510) 2.454 11.888 ( -0.823 0.000 0.296) 0.875 11.926 ( 1.520 0.000 -1.063) 1.855 11.952 ( -0.666 0.000 0.644) 0.927 11.993 ( 3.898 0.000 -2.612) 4.692 12.054 ( -1.889 0.000 -1.316) 2.303 12.100 ( -0.228 0.000 0.222) 0.318 12.100 ( -0.234 0.000 0.023) 0.235 12.126 ( 1.479 0.000 -1.154) 1.876 12.133 ( 1.271 0.000 -0.393) 1.330 12.230 ( 0.553 0.000 0.003) 0.553 12.271 ( -3.426 0.000 1.486) 3.735 12.275 ( 1.431 0.000 1.980) 2.443 12.301 ( -2.625 0.000 2.117) 3.372 12.371 ( 2.319 0.000 1.356) 2.686 12.426 ( -2.106 0.000 -2.776) 3.485 12.432 ( 3.491 0.000 4.096) 5.382 12.529 ( -7.104 0.000 3.620) 7.974 12.866 ( 9.697 0.000 0.510) 9.710 13.024 ( -7.110 0.000 -0.057) 7.110 13.063 ( 3.381 0.000 -3.707) 5.017 13.122 ( -2.286 0.000 -2.405) 3.318 16.131 ( 0.769 0.000 1.770) 1.930 16.159 ( -2.444 0.000 1.780) 3.023 16.189 ( 0.884 0.000 0.525) 1.028 16.209 ( -1.154 0.000 0.107) 1.159 16.270 ( 0.110 0.000 1.408) 1.412 16.278 ( -0.751 0.000 1.168) 1.388 16.291 ( 0.750 0.000 0.611) 0.967 16.304 ( -0.427 0.000 0.394) 0.581 17.374 ( 0.749 0.000 7.614) 7.650 17.400 ( -2.110 0.000 6.626) 6.954 17.455 ( 0.857 0.000 3.192) 3.305 17.479 ( -1.200 0.000 2.249) 2.549 17.536 ( 1.317 0.000 5.642) 5.794 17.557 ( -0.572 0.000 5.748) 5.776 17.628 ( 0.294 0.000 -0.747) 0.803 17.650 ( -1.693 0.000 -3.678) 4.049 17.663 ( 0.769 0.000 -0.918) 1.198 17.685 ( -1.305 0.000 -1.497) 1.986 17.728 ( 0.994 0.000 2.092) 2.317 17.761 ( -3.341 0.000 0.927) 3.467 17.892 ( 6.536 0.000 1.867) 6.797 17.919 ( 1.683 0.000 -1.762) 2.436 17.996 ( 1.341 0.000 -0.238) 1.362 18.111 ( -8.314 0.000 0.733) 8.347 18.605 ( 12.165 0.000 13.788) 18.388 18.853 ( -14.003 0.000 6.525) 15.449 19.284 ( 8.436 0.000 2.736) 8.869 19.403 ( -4.608 0.000 3.335) 5.688 19.912 ( 1.945 0.000 -12.696) 12.844 19.931 ( -0.449 0.000 -14.549) 14.556 20.062 ( 2.118 0.000 -16.124) 16.263 20.087 ( -0.653 0.000 -16.738) 16.751 ======================= Grid point 30 (13/30) ======================= q-point: ( 0.00 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.729 ( 0.000 15.923 18.022) 24.049 1.009 ( 0.000 22.383 22.043) 31.415 1.442 ( 0.000 21.521 22.462) 31.108 1.443 ( 0.000 4.322 6.442) 7.758 1.534 ( 0.000 23.354 15.251) 27.893 1.536 ( 0.000 11.348 7.014) 13.341 1.735 ( 0.000 8.015 7.835) 11.208 1.741 ( 0.000 8.237 6.541) 10.518 1.890 ( 0.000 7.325 -0.053) 7.325 1.912 ( 0.000 -2.897 4.370) 5.243 1.997 ( 0.000 3.476 3.880) 5.209 2.043 ( 0.000 -0.209 -8.416) 8.419 2.142 ( 0.000 3.365 2.733) 4.335 2.197 ( 0.000 0.793 -4.122) 4.198 2.255 ( 0.000 -0.419 -3.077) 3.106 2.301 ( 0.000 0.532 -3.082) 3.127 2.347 ( 0.000 7.908 -8.976) 11.962 2.416 ( 0.000 6.626 -4.022) 7.751 2.462 ( 0.000 8.031 -3.255) 8.665 2.519 ( 0.000 1.211 -3.030) 3.263 2.591 ( 0.000 2.165 1.108) 2.432 2.604 ( 0.000 6.141 -6.633) 9.039 2.683 ( 0.000 6.740 -2.965) 7.364 2.712 ( 0.000 3.220 -3.854) 5.023 2.742 ( 0.000 7.519 -2.884) 8.053 2.858 ( 0.000 2.446 -3.645) 4.390 2.868 ( 0.000 3.634 -0.445) 3.661 2.954 ( 0.000 3.666 1.611) 4.005 2.955 ( 0.000 6.832 -5.798) 8.961 2.996 ( 0.000 3.316 2.053) 3.900 3.065 ( 0.000 0.245 0.614) 0.661 3.103 ( 0.000 3.448 -0.465) 3.479 3.161 ( 0.000 6.309 -0.983) 6.385 3.174 ( 0.000 -2.291 0.607) 2.370 3.194 ( 0.000 2.855 -3.072) 4.194 3.308 ( 0.000 1.297 4.562) 4.743 3.342 ( 0.000 4.150 3.104) 5.183 3.438 ( 0.000 2.076 0.712) 2.195 3.470 ( 0.000 4.616 0.461) 4.639 3.473 ( 0.000 2.770 2.560) 3.771 3.592 ( 0.000 4.228 -1.691) 4.553 3.605 ( 0.000 1.306 -0.404) 1.367 3.664 ( 0.000 1.930 -0.496) 1.993 3.704 ( 0.000 6.150 2.302) 6.567 3.761 ( 0.000 6.386 1.803) 6.636 3.791 ( 0.000 0.976 -0.887) 1.318 3.862 ( 0.000 -0.901 -3.962) 4.063 3.916 ( 0.000 0.029 -0.950) 0.950 3.962 ( 0.000 1.973 1.773) 2.653 4.034 ( 0.000 2.153 4.210) 4.728 4.060 ( 0.000 1.700 -3.178) 3.604 4.068 ( 0.000 0.911 0.526) 1.052 4.141 ( 0.000 2.704 -4.175) 4.974 4.171 ( 0.000 4.368 -4.087) 5.982 4.203 ( 0.000 2.042 2.990) 3.621 4.307 ( 0.000 -4.745 4.233) 6.358 4.355 ( 0.000 -3.061 0.896) 3.189 4.438 ( 0.000 -2.019 1.013) 2.258 4.452 ( 0.000 -4.353 -1.993) 4.788 4.548 ( 0.000 -1.989 -6.002) 6.322 4.603 ( 0.000 -0.061 -5.745) 5.746 4.744 ( 0.000 0.999 -2.144) 2.365 4.812 ( 0.000 -0.211 -5.916) 5.919 4.818 ( 0.000 -1.423 -2.351) 2.748 4.913 ( 0.000 -2.211 -0.966) 2.413 4.936 ( 0.000 -2.175 -2.603) 3.393 4.979 ( 0.000 -3.988 -0.667) 4.044 5.001 ( 0.000 -2.237 0.538) 2.301 5.141 ( 0.000 0.199 1.466) 1.479 5.148 ( 0.000 -0.614 0.794) 1.004 5.176 ( 0.000 -0.599 0.575) 0.830 5.209 ( 0.000 1.582 -0.670) 1.718 5.253 ( 0.000 -1.156 -0.417) 1.229 5.316 ( 0.000 -2.002 -0.434) 2.048 5.338 ( 0.000 -0.249 -0.609) 0.658 5.386 ( 0.000 3.192 0.183) 3.198 5.496 ( 0.000 -6.800 -4.840) 8.347 5.514 ( 0.000 -4.042 -0.125) 4.044 5.724 ( 0.000 -1.567 -6.537) 6.722 5.775 ( 0.000 -6.372 -2.645) 6.900 5.846 ( 0.000 -0.372 0.407) 0.551 5.994 ( 0.000 2.847 -0.283) 2.861 6.039 ( 0.000 -3.035 0.252) 3.045 6.078 ( 0.000 -1.122 3.153) 3.347 6.153 ( 0.000 -1.554 5.123) 5.353 6.154 ( 0.000 -4.696 -4.396) 6.432 6.172 ( 0.000 -1.466 -0.867) 1.703 6.204 ( 0.000 -0.415 4.743) 4.761 6.310 ( 0.000 -4.270 0.851) 4.354 6.322 ( 0.000 -3.165 0.958) 3.307 6.372 ( 0.000 -0.740 -0.614) 0.961 6.437 ( 0.000 -2.769 -0.028) 2.769 6.451 ( 0.000 -1.745 0.835) 1.935 6.483 ( 0.000 -3.374 2.132) 3.992 6.552 ( 0.000 1.054 0.662) 1.245 6.636 ( 0.000 -0.454 1.061) 1.154 6.659 ( 0.000 -1.937 1.632) 2.533 6.732 ( 0.000 3.324 -5.116) 6.101 6.737 ( 0.000 0.081 -4.289) 4.290 6.845 ( 0.000 -0.113 -1.670) 1.674 6.847 ( 0.000 -0.569 -1.193) 1.322 6.882 ( 0.000 -1.864 -1.971) 2.713 6.957 ( 0.000 0.922 1.045) 1.393 6.972 ( 0.000 0.968 0.932) 1.344 7.056 ( 0.000 -0.894 0.262) 0.932 7.144 ( 0.000 -1.221 -1.038) 1.603 7.146 ( 0.000 1.841 1.597) 2.437 7.219 ( 0.000 2.163 -1.833) 2.835 7.305 ( 0.000 -3.111 1.328) 3.382 7.357 ( 0.000 1.389 1.397) 1.970 7.359 ( 0.000 0.636 0.244) 0.682 7.404 ( 0.000 0.628 -0.028) 0.629 7.445 ( 0.000 2.140 1.562) 2.650 7.455 ( 0.000 3.665 -0.732) 3.737 7.489 ( 0.000 3.885 -1.181) 4.060 7.489 ( 0.000 2.834 -0.279) 2.847 7.553 ( 0.000 7.696 -1.298) 7.805 7.582 ( 0.000 1.390 3.619) 3.877 7.681 ( 0.000 8.499 -2.896) 8.979 7.988 ( 0.000 3.332 -12.909) 13.332 9.019 ( 0.000 -0.289 1.792) 1.815 9.091 ( 0.000 3.191 4.585) 5.586 9.174 ( 0.000 -1.176 0.800) 1.422 9.243 ( 0.000 0.984 0.372) 1.052 9.291 ( 0.000 1.989 0.953) 2.205 9.351 ( 0.000 3.492 2.009) 4.028 9.380 ( 0.000 0.561 -2.076) 2.151 9.436 ( 0.000 1.227 2.985) 3.227 9.548 ( 0.000 -2.810 -6.525) 7.104 9.548 ( 0.000 -0.765 -1.866) 2.017 9.629 ( 0.000 -2.271 -7.909) 8.228 9.687 ( 0.000 1.632 -3.763) 4.102 9.696 ( 0.000 -0.342 -0.816) 0.885 9.751 ( 0.000 2.457 -2.608) 3.583 9.794 ( 0.000 -1.406 -0.648) 1.548 9.859 ( 0.000 1.958 -2.821) 3.434 10.146 ( 0.000 -4.048 1.583) 4.347 10.183 ( 0.000 -5.321 1.510) 5.531 10.230 ( 0.000 -4.621 0.366) 4.635 10.246 ( 0.000 -5.205 1.421) 5.395 10.267 ( 0.000 -4.446 1.291) 4.630 10.298 ( 0.000 -5.163 1.359) 5.339 10.310 ( 0.000 -6.218 0.270) 6.224 10.409 ( 0.000 -5.949 0.440) 5.965 11.175 ( 0.000 2.426 0.499) 2.476 11.202 ( 0.000 1.112 4.834) 4.961 11.244 ( 0.000 3.577 0.672) 3.640 11.312 ( 0.000 1.747 3.166) 3.616 11.329 ( 0.000 -1.147 3.557) 3.737 11.399 ( 0.000 2.494 3.515) 4.310 11.405 ( 0.000 -1.997 4.858) 5.252 11.511 ( 0.000 0.819 3.718) 3.807 11.518 ( 0.000 -1.201 -0.357) 1.253 11.556 ( 0.000 -5.155 2.624) 5.784 11.581 ( 0.000 0.385 -1.918) 1.956 11.621 ( 0.000 -3.698 0.105) 3.700 11.658 ( 0.000 -0.684 1.084) 1.282 11.698 ( 0.000 2.078 0.966) 2.291 11.726 ( 0.000 -4.418 -0.058) 4.419 11.758 ( 0.000 0.815 0.080) 0.819 11.794 ( 0.000 7.610 -0.831) 7.655 11.799 ( 0.000 -0.641 -0.049) 0.642 11.903 ( 0.000 -0.611 0.314) 0.687 11.908 ( 0.000 2.783 0.612) 2.849 11.965 ( 0.000 4.025 -1.339) 4.242 12.015 ( 0.000 0.681 1.054) 1.255 12.075 ( 0.000 6.535 -1.525) 6.710 12.081 ( 0.000 5.444 1.526) 5.654 12.126 ( 0.000 1.556 2.399) 2.859 12.167 ( 0.000 0.579 0.509) 0.771 12.172 ( 0.000 3.763 -0.501) 3.796 12.225 ( 0.000 8.296 -2.750) 8.740 12.258 ( 0.000 2.267 0.198) 2.275 12.284 ( 0.000 6.626 2.583) 7.112 12.325 ( 0.000 2.565 1.443) 2.944 12.342 ( 0.000 1.651 3.150) 3.557 12.379 ( 0.000 2.611 2.071) 3.332 12.419 ( 0.000 0.271 -0.715) 0.765 12.458 ( 0.000 5.396 -1.911) 5.725 12.620 ( 0.000 -3.717 -2.122) 4.280 12.695 ( 0.000 -0.253 4.479) 4.486 12.996 ( 0.000 -1.722 -5.733) 5.986 13.069 ( 0.000 -2.390 -0.595) 2.463 13.118 ( 0.000 -1.366 -1.259) 1.858 16.117 ( 0.000 -0.695 1.641) 1.782 16.147 ( 0.000 -2.726 2.225) 3.518 16.187 ( 0.000 -0.806 0.233) 0.839 16.203 ( 0.000 -1.516 -0.127) 1.521 16.244 ( 0.000 -2.336 0.533) 2.396 16.253 ( 0.000 -1.277 0.266) 1.304 16.271 ( 0.000 -1.777 1.254) 2.175 16.287 ( 0.000 -1.711 0.339) 1.744 17.338 ( 0.000 -2.676 7.238) 7.717 17.353 ( 0.000 -3.687 5.199) 6.374 17.473 ( 0.000 -2.275 5.727) 6.162 17.534 ( 0.000 -0.461 -0.324) 0.564 17.574 ( 0.000 2.176 6.735) 7.078 17.614 ( 0.000 8.415 1.531) 8.553 17.655 ( 0.000 0.236 0.876) 0.907 17.675 ( 0.000 -0.119 -0.774) 0.783 17.696 ( 0.000 1.677 -0.905) 1.906 17.727 ( 0.000 5.552 -0.096) 5.553 17.782 ( 0.000 7.933 -0.662) 7.960 17.853 ( 0.000 5.437 -0.098) 5.437 17.928 ( 0.000 9.645 -0.099) 9.645 17.990 ( 0.000 6.393 -3.810) 7.442 18.087 ( 0.000 8.152 -1.908) 8.372 18.205 ( 0.000 1.302 -4.520) 4.704 18.415 ( 0.000 -5.181 22.124) 22.722 18.978 ( 0.000 -8.861 5.559) 10.461 19.022 ( 0.000 -8.459 3.610) 9.198 19.357 ( 0.000 -7.930 3.495) 8.666 19.808 ( 0.000 -10.474 -13.019) 16.709 19.850 ( 0.000 -1.522 -10.591) 10.700 19.878 ( 0.000 -14.152 -14.530) 20.283 19.945 ( 0.000 -12.672 -14.422) 19.198 ======================= Grid point 31 (14/30) ======================= q-point: ( 0.33 0.11 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.925 ( 17.633 12.323 12.389) 24.825 1.108 ( 9.517 22.123 16.943) 29.446 1.251 ( -14.616 9.565 9.758) 20.009 1.349 ( -13.475 18.384 11.691) 25.617 1.551 ( 5.668 16.628 21.561) 27.811 1.590 ( 2.699 8.655 7.639) 11.855 1.691 ( -1.656 4.005 6.810) 8.072 1.770 ( -1.538 6.920 9.851) 12.137 1.901 ( 2.959 6.507 2.744) 7.657 1.948 ( -1.262 1.877 4.233) 4.799 1.994 ( 1.371 5.141 2.723) 5.977 2.044 ( -1.657 2.805 -6.858) 7.592 2.131 ( -0.287 5.818 -1.643) 6.053 2.180 ( -1.035 3.994 -0.881) 4.219 2.233 ( 0.351 -2.151 -2.591) 3.386 2.297 ( -1.530 2.872 -3.796) 5.000 2.357 ( -0.556 8.904 -3.660) 9.643 2.419 ( 2.783 8.607 -2.989) 9.526 2.489 ( 1.330 3.199 -2.836) 4.477 2.530 ( -4.478 4.859 -2.846) 7.194 2.549 ( 2.267 1.743 -2.876) 4.056 2.600 ( -0.633 5.607 -5.486) 7.870 2.662 ( 2.243 7.678 -2.533) 8.390 2.714 ( -3.264 4.006 -0.162) 5.170 2.777 ( 2.158 4.232 0.632) 4.792 2.841 ( -1.213 2.730 -1.585) 3.382 2.870 ( 1.085 4.692 -2.969) 5.658 2.931 ( -1.272 4.668 -2.955) 5.669 2.948 ( -1.101 0.600 -2.433) 2.737 3.013 ( -0.293 3.620 -3.314) 4.917 3.040 ( -0.393 2.471 1.209) 2.779 3.072 ( -2.698 3.878 -3.201) 5.706 3.133 ( -0.043 6.155 -0.642) 6.189 3.150 ( -1.818 4.949 -0.806) 5.333 3.209 ( -1.929 1.142 1.938) 2.963 3.242 ( -2.125 0.072 -0.018) 2.126 3.374 ( 3.361 1.114 0.675) 3.605 3.422 ( 2.321 3.447 2.644) 4.925 3.481 ( -3.453 -0.702 2.188) 4.148 3.535 ( 1.859 2.532 -2.367) 3.933 3.620 ( 4.042 4.475 1.046) 6.120 3.639 ( 1.527 3.681 -0.428) 4.008 3.659 ( 2.462 2.520 1.629) 3.881 3.728 ( -0.722 6.198 0.454) 6.256 3.789 ( 2.031 1.545 2.486) 3.562 3.864 ( -0.026 3.273 1.953) 3.811 3.896 ( 1.052 4.517 -3.309) 5.698 3.942 ( 0.912 1.573 -0.760) 1.970 3.968 ( 1.285 -1.099 3.635) 4.009 3.990 ( 1.833 -1.303 -0.392) 2.283 4.051 ( 0.579 0.337 -0.970) 1.178 4.086 ( -0.023 -0.291 -3.401) 3.414 4.147 ( 0.691 3.314 0.526) 3.425 4.165 ( -0.058 1.357 -2.450) 2.802 4.222 ( 1.520 2.114 -3.378) 4.265 4.273 ( -2.023 -7.048 2.224) 7.663 4.377 ( -4.647 -2.123 -1.908) 5.454 4.409 ( 5.728 -2.934 1.132) 6.534 4.482 ( 1.025 -3.518 0.133) 3.667 4.549 ( -2.265 1.630 1.551) 3.193 4.638 ( 3.785 -2.362 -8.298) 9.421 4.684 ( -4.189 1.417 -2.272) 4.972 4.740 ( -2.934 2.211 -3.204) 4.875 4.809 ( -7.886 0.475 -3.373) 8.591 4.889 ( 4.942 -2.922 -3.245) 6.595 4.978 ( -1.983 -3.897 -2.131) 4.864 4.999 ( 3.730 -5.550 -1.169) 6.788 5.054 ( 0.997 -4.021 -1.806) 4.519 5.130 ( 1.838 -1.555 -0.411) 2.443 5.142 ( -0.440 -0.265 -1.322) 1.418 5.192 ( 1.490 0.426 -1.039) 1.866 5.229 ( 0.306 1.596 -0.282) 1.650 5.266 ( 1.440 -0.374 -0.647) 1.622 5.295 ( -1.569 -0.429 0.592) 1.731 5.345 ( 1.157 -1.749 -2.634) 3.367 5.381 ( -1.995 -0.314 -0.801) 2.172 5.489 ( 2.504 -6.148 0.304) 6.646 5.551 ( 0.165 -4.614 -2.573) 5.286 5.718 ( 0.526 -4.504 -4.501) 6.389 5.776 ( -0.595 -2.360 -6.469) 6.912 5.880 ( 2.258 -1.401 0.493) 2.702 5.992 ( -0.609 2.179 0.885) 2.430 6.029 ( 0.060 -1.888 0.965) 2.121 6.093 ( 1.251 -1.892 2.027) 3.042 6.124 ( -2.070 -1.186 2.861) 3.725 6.145 ( -0.664 -3.959 -4.181) 5.796 6.175 ( 0.479 -1.725 1.142) 2.124 6.222 ( 0.396 -1.173 3.204) 3.435 6.292 ( -1.005 -2.480 1.286) 2.969 6.314 ( -0.519 -4.687 2.610) 5.389 6.405 ( 2.914 -2.924 -0.414) 4.149 6.435 ( 0.655 -1.501 -1.096) 1.971 6.464 ( 0.245 -1.575 0.725) 1.751 6.487 ( -1.362 -2.733 0.180) 3.059 6.550 ( 1.072 0.886 0.128) 1.397 6.615 ( -2.051 1.231 2.043) 3.145 6.653 ( -0.201 -1.496 1.156) 1.901 6.670 ( -2.060 0.162 -1.402) 2.497 6.757 ( -0.499 0.844 -4.342) 4.451 6.811 ( -2.291 0.580 -3.230) 4.002 6.857 ( 0.162 -1.059 -1.266) 1.659 6.909 ( 3.165 -0.970 -1.243) 3.536 6.950 ( 0.013 -1.254 1.481) 1.941 7.005 ( 0.818 0.676 0.819) 1.341 7.094 ( 2.500 0.833 0.846) 2.768 7.127 ( -0.991 0.847 0.870) 1.568 7.161 ( 0.940 -0.393 -1.606) 1.902 7.196 ( -1.580 -0.143 -0.737) 1.749 7.307 ( -0.406 1.724 -2.542) 3.098 7.340 ( 1.524 -3.746 3.028) 5.052 7.375 ( -1.594 -1.425 1.072) 2.392 7.398 ( -0.038 2.603 2.109) 3.351 7.440 ( 0.608 4.374 -0.120) 4.418 7.459 ( -1.534 4.609 -1.468) 5.074 7.480 ( 0.470 2.640 -0.007) 2.682 7.525 ( 3.076 3.364 -1.621) 4.838 7.562 ( -0.007 4.386 0.570) 4.423 7.589 ( 0.300 3.893 1.749) 4.279 7.678 ( 0.992 8.633 -3.975) 9.555 7.886 ( -7.732 6.498 -7.022) 12.301 9.015 ( -0.267 -0.269 1.757) 1.797 9.091 ( -0.185 2.863 4.581) 5.405 9.173 ( 1.144 0.900 1.135) 1.846 9.245 ( -2.551 1.732 1.448) 3.407 9.325 ( 4.909 1.151 1.266) 5.199 9.363 ( 1.551 1.388 1.000) 2.309 9.383 ( 0.366 1.539 -0.069) 1.584 9.461 ( -2.444 -0.161 -0.751) 2.562 9.494 ( 0.276 -0.133 -0.636) 0.706 9.547 ( -1.210 -2.828 -5.773) 6.542 9.603 ( -3.141 -0.629 -3.430) 4.693 9.652 ( -0.545 -1.788 -4.674) 5.034 9.708 ( -0.531 0.499 -2.842) 2.934 9.737 ( -0.132 1.867 -4.278) 4.670 9.809 ( 0.912 1.043 -2.439) 2.805 9.852 ( -0.499 2.671 -2.615) 3.771 10.157 ( 1.292 -5.121 2.158) 5.706 10.180 ( -0.582 -5.532 1.680) 5.810 10.204 ( -1.467 -5.252 0.425) 5.470 10.248 ( -0.126 -4.332 0.701) 4.390 10.265 ( 0.366 -4.316 2.353) 4.929 10.280 ( -0.986 -6.050 2.084) 6.474 10.354 ( 2.572 -5.630 -0.153) 6.192 10.396 ( -1.261 -5.374 0.321) 5.529 11.193 ( 1.353 1.834 1.517) 2.738 11.210 ( 1.135 1.879 3.225) 3.901 11.245 ( -0.668 3.212 1.982) 3.833 11.277 ( -3.070 2.633 1.516) 4.319 11.291 ( -0.189 1.388 2.531) 2.893 11.345 ( -3.511 3.244 2.405) 5.352 11.435 ( 1.610 -4.796 7.495) 9.043 11.484 ( -1.087 -2.699 4.155) 5.072 11.545 ( 1.416 0.166 1.161) 1.839 11.581 ( 0.673 1.322 0.627) 1.610 11.629 ( 0.045 -0.522 -0.282) 0.595 11.655 ( 2.278 -2.684 -0.651) 3.580 11.669 ( 1.725 -2.165 -0.330) 2.788 11.711 ( 0.547 0.014 1.015) 1.153 11.732 ( 2.322 -1.731 -0.772) 2.997 11.770 ( -0.703 1.958 -0.825) 2.238 11.797 ( 0.860 0.136 0.202) 0.894 11.812 ( 0.919 3.173 -1.047) 3.465 11.869 ( -0.207 -0.539 0.475) 0.747 11.916 ( -1.882 2.887 -0.517) 3.485 11.958 ( 0.842 1.129 1.981) 2.431 12.025 ( 0.395 3.144 1.210) 3.392 12.062 ( -0.396 5.003 -0.410) 5.035 12.080 ( -1.726 2.922 1.725) 3.807 12.119 ( -0.366 5.613 0.445) 5.643 12.153 ( 0.337 0.217 1.195) 1.260 12.204 ( 0.779 5.125 0.051) 5.184 12.228 ( 1.751 4.307 -2.397) 5.231 12.267 ( -0.014 2.852 -0.636) 2.922 12.291 ( 0.001 3.916 1.395) 4.157 12.306 ( -0.987 2.873 1.877) 3.570 12.331 ( -1.796 2.042 1.257) 2.995 12.365 ( 1.017 2.180 1.394) 2.780 12.402 ( -1.537 3.857 -0.438) 4.175 12.481 ( 1.486 2.582 0.360) 3.001 12.538 ( -3.951 1.317 1.895) 4.576 12.821 ( 8.353 -3.672 0.684) 9.150 12.976 ( -5.377 -3.531 -0.546) 6.456 13.037 ( 0.654 -0.879 -4.423) 4.557 13.122 ( -0.400 -0.265 -1.862) 1.922 16.119 ( 0.196 -1.099 1.687) 2.023 16.136 ( -0.779 -1.788 2.172) 2.919 16.184 ( 0.080 -0.471 0.222) 0.527 16.201 ( -0.320 -1.045 -0.297) 1.133 16.239 ( -0.262 -2.378 0.751) 2.507 16.262 ( -0.187 -1.637 1.420) 2.175 16.268 ( 0.663 -1.697 0.367) 1.858 16.286 ( -0.250 -1.584 0.426) 1.659 17.337 ( 0.167 -2.991 6.469) 7.129 17.348 ( -0.438 -3.448 5.890) 6.839 17.487 ( 1.472 -1.129 5.410) 5.719 17.523 ( -1.429 0.086 5.801) 5.975 17.573 ( -0.549 2.350 0.895) 2.574 17.598 ( -0.299 4.521 1.444) 4.755 17.632 ( -0.770 0.683 -0.930) 1.387 17.672 ( -1.120 3.440 -2.874) 4.620 17.732 ( 1.390 7.309 -0.956) 7.501 17.768 ( 0.942 5.764 0.208) 5.844 17.802 ( 4.771 4.621 1.645) 6.843 17.847 ( 0.348 6.290 1.662) 6.515 17.905 ( -0.885 5.742 0.831) 5.869 18.010 ( -2.429 1.715 -1.235) 3.220 18.056 ( -1.504 7.032 -0.438) 7.205 18.142 ( -2.088 5.787 -3.068) 6.875 18.555 ( 11.528 -4.409 13.583) 18.353 18.780 ( -12.491 -6.582 7.777) 16.119 19.184 ( 8.607 -9.063 3.326) 12.934 19.310 ( -4.915 -8.304 3.363) 10.219 19.809 ( 0.186 -10.060 -13.014) 16.451 19.821 ( -1.310 -7.728 -12.346) 14.624 19.906 ( 1.017 -12.176 -14.607) 19.043 19.950 ( 0.403 -11.565 -13.920) 18.102 ======================= Grid point 33 (15/30) ======================= q-point: ( 0.00 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.090 ( 0.000 15.995 10.233) 18.988 1.422 ( 0.000 15.210 12.699) 19.814 1.427 ( 0.000 -7.355 -1.928) 7.604 1.666 ( 0.000 2.251 1.609) 2.767 1.706 ( 0.000 1.852 2.656) 3.238 1.853 ( 0.000 -2.263 -3.422) 4.103 1.856 ( 0.000 4.585 3.004) 5.482 1.888 ( 0.000 3.128 1.519) 3.477 1.916 ( 0.000 5.133 8.615) 10.029 2.085 ( 0.000 7.049 2.913) 7.628 2.095 ( 0.000 0.631 2.000) 2.097 2.166 ( 0.000 6.622 4.199) 7.841 2.182 ( 0.000 5.459 2.389) 5.959 2.244 ( 0.000 10.736 1.001) 10.782 2.272 ( 0.000 4.124 5.969) 7.255 2.375 ( 0.000 5.158 -9.400) 10.723 2.524 ( 0.000 1.816 -0.331) 1.846 2.564 ( 0.000 10.307 -5.523) 11.693 2.602 ( 0.000 8.730 -6.459) 10.860 2.604 ( 0.000 4.998 -0.973) 5.092 2.710 ( 0.000 8.270 -2.765) 8.720 2.723 ( 0.000 9.008 1.946) 9.216 2.786 ( 0.000 3.701 0.197) 3.707 2.864 ( 0.000 8.854 -4.285) 9.837 2.887 ( 0.000 5.121 -3.261) 6.071 2.934 ( 0.000 6.863 4.741) 8.342 2.989 ( 0.000 7.551 -2.490) 7.951 3.000 ( 0.000 -0.746 0.595) 0.954 3.065 ( 0.000 2.061 -4.107) 4.595 3.100 ( 0.000 4.612 -0.027) 4.612 3.159 ( 0.000 8.015 2.339) 8.349 3.213 ( 0.000 6.646 0.612) 6.674 3.234 ( 0.000 4.537 -1.973) 4.947 3.312 ( 0.000 6.788 -0.296) 6.795 3.336 ( 0.000 4.534 0.731) 4.592 3.376 ( 0.000 8.143 -3.100) 8.713 3.468 ( 0.000 3.354 -2.068) 3.940 3.487 ( 0.000 10.021 1.862) 10.192 3.559 ( 0.000 2.854 3.181) 4.274 3.588 ( 0.000 7.034 2.740) 7.549 3.620 ( 0.000 0.346 -1.485) 1.525 3.659 ( 0.000 2.639 -1.753) 3.168 3.743 ( 0.000 3.844 2.905) 4.819 3.799 ( 0.000 2.484 4.043) 4.745 3.825 ( 0.000 2.683 0.821) 2.806 3.876 ( 0.000 6.269 0.299) 6.276 3.919 ( 0.000 0.848 2.138) 2.300 3.955 ( 0.000 3.636 -3.288) 4.903 3.963 ( 0.000 0.012 -1.428) 1.428 4.007 ( 0.000 -1.652 -0.999) 1.931 4.078 ( 0.000 2.303 -1.232) 2.612 4.143 ( 0.000 -1.427 0.201) 1.441 4.144 ( 0.000 5.691 0.337) 5.701 4.238 ( 0.000 1.120 0.345) 1.172 4.271 ( 0.000 0.448 -1.886) 1.939 4.324 ( 0.000 4.230 1.535) 4.500 4.363 ( 0.000 3.826 -1.087) 3.977 4.379 ( 0.000 -1.514 -1.256) 1.967 4.392 ( 0.000 2.067 -4.853) 5.275 4.492 ( 0.000 -1.149 -0.707) 1.349 4.632 ( 0.000 2.238 1.162) 2.522 4.658 ( 0.000 -5.507 -2.733) 6.148 4.790 ( 0.000 -3.156 -2.680) 4.140 4.795 ( 0.000 -0.807 1.058) 1.331 4.814 ( 0.000 -3.624 -0.741) 3.699 4.876 ( 0.000 -4.557 -2.235) 5.076 4.908 ( 0.000 -5.067 -0.783) 5.127 4.974 ( 0.000 -0.850 0.341) 0.916 5.072 ( 0.000 -4.363 0.251) 4.370 5.105 ( 0.000 -1.850 -2.321) 2.968 5.188 ( 0.000 0.783 -0.733) 1.072 5.211 ( 0.000 -1.050 0.670) 1.245 5.288 ( 0.000 2.271 -0.605) 2.350 5.306 ( 0.000 1.777 -2.861) 3.368 5.355 ( 0.000 4.227 -3.283) 5.352 5.357 ( 0.000 -1.447 -2.768) 3.123 5.499 ( 0.000 1.142 0.162) 1.153 5.505 ( 0.000 5.855 -1.876) 6.148 5.673 ( 0.000 -1.118 0.574) 1.257 5.682 ( 0.000 -1.657 -1.730) 2.395 5.850 ( 0.000 0.725 -0.383) 0.820 5.959 ( 0.000 -3.223 -0.418) 3.250 6.034 ( 0.000 -1.586 0.378) 1.630 6.052 ( 0.000 -0.214 2.461) 2.471 6.062 ( 0.000 -3.251 -2.556) 4.136 6.123 ( 0.000 -1.125 4.109) 4.261 6.146 ( 0.000 -1.288 -0.020) 1.288 6.172 ( 0.000 -1.361 2.635) 2.966 6.233 ( 0.000 -3.783 0.592) 3.829 6.308 ( 0.000 0.375 2.348) 2.377 6.336 ( 0.000 -2.857 1.928) 3.446 6.401 ( 0.000 -0.772 0.079) 0.776 6.411 ( 0.000 -2.451 0.853) 2.595 6.451 ( 0.000 -1.016 0.810) 1.300 6.560 ( 0.000 -0.329 -0.500) 0.599 6.604 ( 0.000 -1.590 2.202) 2.716 6.620 ( 0.000 -1.203 -0.259) 1.231 6.725 ( 0.000 -1.684 -2.424) 2.951 6.745 ( 0.000 -1.878 1.524) 2.418 6.808 ( 0.000 -3.730 -1.495) 4.019 6.828 ( 0.000 -2.845 0.077) 2.846 6.853 ( 0.000 1.139 -3.989) 4.149 6.962 ( 0.000 0.133 1.267) 1.274 6.987 ( 0.000 0.730 -0.306) 0.792 7.034 ( 0.000 -0.724 0.424) 0.839 7.093 ( 0.000 -4.605 0.530) 4.635 7.148 ( 0.000 -1.605 0.942) 1.861 7.194 ( 0.000 -4.027 3.675) 5.452 7.225 ( 0.000 -1.446 -2.400) 2.802 7.314 ( 0.000 -4.671 0.186) 4.675 7.367 ( 0.000 -1.188 0.362) 1.242 7.385 ( 0.000 -0.912 -4.268) 4.364 7.559 ( 0.000 4.646 -0.948) 4.742 7.562 ( 0.000 6.617 0.923) 6.681 7.570 ( 0.000 7.009 0.548) 7.030 7.620 ( 0.000 5.800 -2.219) 6.210 7.674 ( 0.000 6.612 1.913) 6.883 7.752 ( 0.000 9.348 -3.547) 9.998 7.850 ( 0.000 6.271 -3.734) 7.298 7.984 ( 0.000 -2.307 -6.725) 7.109 9.016 ( 0.000 -0.004 -0.043) 0.043 9.145 ( 0.000 1.480 2.511) 2.915 9.145 ( 0.000 -1.608 0.021) 1.608 9.276 ( 0.000 -3.040 -4.101) 5.105 9.290 ( 0.000 3.021 -0.240) 3.031 9.401 ( 0.000 -0.445 -2.390) 2.431 9.406 ( 0.000 1.020 -2.064) 2.303 9.474 ( 0.000 2.824 3.606) 4.580 9.489 ( 0.000 -3.475 -4.482) 5.671 9.526 ( 0.000 0.211 2.012) 2.023 9.597 ( 0.000 0.489 -0.344) 0.598 9.702 ( 0.000 -0.317 -2.731) 2.749 9.718 ( 0.000 2.015 1.168) 2.329 9.767 ( 0.000 -1.054 -1.107) 1.528 9.806 ( 0.000 1.799 0.207) 1.811 9.881 ( 0.000 -0.289 0.078) 0.299 10.068 ( 0.000 -4.644 0.396) 4.661 10.070 ( 0.000 -3.373 -0.455) 3.404 10.103 ( 0.000 -7.191 0.157) 7.193 10.113 ( 0.000 -5.607 -1.042) 5.703 10.153 ( 0.000 -6.375 1.522) 6.554 10.187 ( 0.000 -3.973 -0.241) 3.980 10.192 ( 0.000 -3.865 0.094) 3.866 10.276 ( 0.000 -5.919 -0.453) 5.936 11.224 ( 0.000 0.909 4.929) 5.013 11.261 ( 0.000 4.451 2.323) 5.020 11.269 ( 0.000 -2.380 6.737) 7.145 11.327 ( 0.000 -3.014 6.824) 7.460 11.338 ( 0.000 1.865 4.329) 4.714 11.366 ( 0.000 5.251 -0.105) 5.252 11.439 ( 0.000 -1.195 0.152) 1.205 11.489 ( 0.000 -1.130 1.107) 1.582 11.513 ( 0.000 0.512 -0.358) 0.625 11.560 ( 0.000 -0.896 -1.340) 1.611 11.587 ( 0.000 3.582 -0.467) 3.612 11.588 ( 0.000 -2.873 -1.052) 3.060 11.643 ( 0.000 1.556 -0.551) 1.651 11.652 ( 0.000 -0.661 0.773) 1.017 11.742 ( 0.000 -0.121 -0.681) 0.691 11.748 ( 0.000 -0.466 -0.159) 0.493 11.834 ( 0.000 3.007 2.199) 3.725 11.848 ( 0.000 -2.456 3.062) 3.925 11.934 ( 0.000 0.768 2.299) 2.424 11.963 ( 0.000 6.618 -0.897) 6.679 12.031 ( 0.000 0.254 0.868) 0.905 12.060 ( 0.000 -2.324 0.736) 2.438 12.061 ( 0.000 1.324 0.905) 1.604 12.143 ( 0.000 1.675 0.147) 1.681 12.146 ( 0.000 -0.291 1.137) 1.174 12.211 ( 0.000 0.811 1.135) 1.395 12.235 ( 0.000 2.340 -1.332) 2.693 12.322 ( 0.000 5.518 1.432) 5.700 12.353 ( 0.000 -1.480 0.549) 1.579 12.375 ( 0.000 3.853 -1.363) 4.087 12.415 ( 0.000 2.257 -1.279) 2.594 12.415 ( 0.000 5.312 1.123) 5.429 12.522 ( 0.000 10.687 2.188) 10.909 12.526 ( 0.000 9.551 -0.370) 9.558 12.600 ( 0.000 4.021 -0.372) 4.038 12.617 ( 0.000 3.973 1.160) 4.139 12.740 ( 0.000 10.209 0.860) 10.245 13.004 ( 0.000 1.684 -4.658) 4.954 13.038 ( 0.000 -0.157 -1.061) 1.072 13.116 ( 0.000 3.378 -2.753) 4.357 16.089 ( 0.000 -2.592 1.940) 3.238 16.098 ( 0.000 -1.041 1.251) 1.627 16.157 ( 0.000 -2.726 -0.239) 2.736 16.164 ( 0.000 -1.369 -0.003) 1.369 16.194 ( 0.000 -2.572 -0.229) 2.582 16.220 ( 0.000 -1.853 -0.179) 1.862 16.232 ( 0.000 -1.733 0.995) 1.998 16.244 ( 0.000 -1.981 0.281) 2.001 17.258 ( 0.000 -5.401 3.554) 6.466 17.264 ( 0.000 -4.107 5.333) 6.731 17.401 ( 0.000 -4.258 3.757) 5.678 17.500 ( 0.000 -2.726 -0.885) 2.866 17.560 ( 0.000 -2.952 6.158) 6.829 17.633 ( 0.000 -1.217 1.601) 2.011 17.650 ( 0.000 -0.561 -0.358) 0.666 17.758 ( 0.000 2.881 1.287) 3.156 17.783 ( 0.000 0.701 -1.748) 1.884 17.833 ( 0.000 4.833 -0.397) 4.849 17.921 ( 0.000 3.530 -0.254) 3.539 18.054 ( 0.000 11.913 -1.732) 12.038 18.070 ( 0.000 4.928 -2.815) 5.675 18.173 ( 0.000 11.226 -4.797) 12.208 18.277 ( 0.000 5.332 -3.104) 6.170 18.277 ( 0.000 -6.583 16.121) 17.413 18.319 ( 0.000 5.928 -7.588) 9.629 18.757 ( 0.000 -9.247 10.271) 13.820 18.819 ( 0.000 -7.152 8.893) 11.412 19.195 ( 0.000 -5.031 4.288) 6.610 19.493 ( 0.000 -21.031 -12.038) 24.232 19.580 ( 0.000 -9.586 -9.664) 13.611 19.640 ( 0.000 -14.449 -10.358) 17.778 19.812 ( 0.000 -2.311 -10.910) 11.152 ======================= Grid point 34 (16/30) ======================= q-point: ( 0.33 0.22 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.204 ( 10.714 11.498 5.874) 16.778 1.392 ( -4.164 0.087 0.742) 4.230 1.454 ( 0.379 6.171 8.279) 10.333 1.576 ( -4.264 3.772 4.023) 6.971 1.696 ( -4.015 1.384 5.669) 7.084 1.732 ( -2.865 10.382 4.763) 11.776 1.850 ( -2.416 6.099 9.467) 11.518 1.903 ( 3.834 0.057 -0.032) 3.835 1.975 ( -1.338 2.662 5.780) 6.503 2.024 ( -1.700 0.907 1.891) 2.700 2.109 ( 0.551 1.528 -1.507) 2.216 2.170 ( 1.536 9.654 -0.471) 9.786 2.242 ( 0.955 4.555 0.331) 4.666 2.248 ( 0.395 4.976 -1.363) 5.174 2.330 ( 6.009 7.881 2.962) 10.344 2.388 ( 0.502 7.987 -4.777) 9.320 2.493 ( -1.988 -0.119 -7.364) 7.629 2.549 ( 0.514 7.038 -2.749) 7.573 2.604 ( -0.654 7.665 -3.493) 8.449 2.660 ( 1.013 8.448 -1.431) 8.627 2.716 ( 0.320 1.583 -2.284) 2.797 2.727 ( 0.711 11.499 1.390) 11.605 2.778 ( -0.981 7.194 -0.851) 7.310 2.827 ( -2.721 7.616 2.149) 8.368 2.893 ( 2.629 5.602 -1.144) 6.293 2.927 ( -0.646 9.109 1.620) 9.275 2.968 ( 0.393 -0.351 0.420) 0.674 3.013 ( -0.101 4.204 0.315) 4.217 3.063 ( 0.609 5.956 -2.947) 6.673 3.107 ( -0.429 5.988 -2.343) 6.444 3.151 ( -1.142 6.632 -2.098) 7.049 3.178 ( -3.229 7.535 -1.758) 8.384 3.245 ( 0.911 2.938 2.271) 3.824 3.287 ( -2.265 5.391 0.491) 5.868 3.323 ( -1.014 7.537 1.730) 7.799 3.378 ( -2.019 10.605 -3.458) 11.336 3.445 ( 2.967 5.956 3.999) 7.763 3.495 ( 0.175 6.215 -0.008) 6.218 3.519 ( 0.230 4.810 1.419) 5.020 3.595 ( -2.137 3.188 1.784) 4.232 3.684 ( 3.759 1.600 0.109) 4.087 3.725 ( 2.402 2.099 -3.197) 4.516 3.766 ( 1.752 5.629 -0.166) 5.897 3.800 ( 0.625 3.681 1.474) 4.014 3.831 ( 1.036 -1.084 0.223) 1.516 3.894 ( 0.488 2.475 0.806) 2.648 3.911 ( 0.548 -0.985 -0.428) 1.206 3.937 ( -0.552 -1.684 2.328) 2.926 3.997 ( 1.060 4.146 -3.068) 5.266 4.023 ( 1.441 -2.545 -1.859) 3.466 4.056 ( -1.945 1.363 -2.495) 3.445 4.099 ( -3.985 4.175 -1.671) 6.009 4.150 ( -0.140 -0.787 1.704) 1.882 4.217 ( 1.819 3.470 0.135) 3.920 4.253 ( -1.969 5.450 0.839) 5.855 4.300 ( -1.994 4.028 2.275) 5.038 4.359 ( 0.745 0.426 -1.090) 1.388 4.394 ( 0.018 1.565 -3.272) 3.627 4.435 ( 3.817 -0.563 -0.443) 3.883 4.542 ( 2.140 -0.418 0.498) 2.237 4.621 ( -0.290 0.879 -1.349) 1.636 4.647 ( -2.116 -2.554 -2.268) 4.018 4.772 ( -0.339 -0.467 -2.187) 2.261 4.796 ( -0.458 -4.708 0.565) 4.763 4.839 ( 0.674 -2.397 -2.290) 3.384 4.860 ( 1.105 -4.028 -1.375) 4.397 4.893 ( -2.411 -4.685 -0.388) 5.284 4.935 ( -1.630 -3.040 -0.067) 3.450 5.077 ( 0.266 -1.835 -1.896) 2.651 5.139 ( 1.782 -2.091 -2.443) 3.676 5.158 ( -1.903 -1.302 -0.807) 2.443 5.220 ( -0.123 -2.439 -0.648) 2.527 5.286 ( 0.785 1.605 -2.312) 2.922 5.305 ( -0.196 -0.052 -2.931) 2.938 5.357 ( 1.241 5.438 -2.498) 6.112 5.388 ( 0.853 2.892 -0.722) 3.100 5.478 ( -0.975 3.440 -0.524) 3.613 5.503 ( -0.740 0.889 2.097) 2.395 5.637 ( -0.817 -1.042 -2.576) 2.896 5.746 ( 2.482 -1.575 -0.121) 2.942 5.857 ( 0.849 0.119 -1.460) 1.693 5.977 ( 1.687 -2.172 0.391) 2.777 6.014 ( -1.902 -1.102 -0.142) 2.202 6.055 ( 0.056 -1.819 1.162) 2.159 6.064 ( 0.242 -2.440 -0.096) 2.454 6.101 ( -1.255 -0.617 1.814) 2.291 6.162 ( 0.978 -0.255 2.611) 2.799 6.181 ( 0.514 -1.861 0.617) 2.027 6.237 ( 0.790 -3.320 1.302) 3.652 6.274 ( -2.681 -1.317 2.574) 3.943 6.332 ( -0.143 -3.676 1.270) 3.892 6.391 ( -0.394 -2.505 1.722) 3.065 6.436 ( 0.828 -1.495 0.139) 1.715 6.468 ( 0.970 0.061 0.125) 0.980 6.559 ( 1.073 -0.299 -0.079) 1.117 6.595 ( -1.137 -1.938 0.666) 2.344 6.625 ( 1.064 -0.846 0.708) 1.533 6.671 ( -3.206 -0.460 0.268) 3.250 6.758 ( -1.339 -1.299 -2.073) 2.789 6.783 ( -0.797 -3.326 -1.535) 3.748 6.851 ( 0.749 0.632 -1.287) 1.617 6.883 ( 3.818 -1.401 0.117) 4.068 6.945 ( -2.383 0.681 0.629) 2.557 7.006 ( 1.983 -0.710 -0.483) 2.161 7.054 ( 0.896 -2.987 -0.067) 3.120 7.095 ( -1.401 -4.165 0.800) 4.467 7.138 ( 1.318 -1.486 0.140) 1.991 7.190 ( 0.241 -1.258 1.307) 1.830 7.236 ( 0.417 -4.034 0.481) 4.084 7.271 ( -3.895 -4.643 1.022) 6.146 7.354 ( 0.391 -0.415 -2.649) 2.709 7.417 ( 1.033 -1.685 -1.780) 2.659 7.554 ( -0.209 5.590 0.692) 5.637 7.568 ( -0.053 6.072 0.098) 6.073 7.578 ( 0.942 6.161 -0.471) 6.250 7.626 ( -0.125 5.639 -0.283) 5.647 7.689 ( 1.645 7.400 -1.623) 7.753 7.757 ( 0.635 8.306 -2.586) 8.723 7.836 ( -1.261 5.731 -4.421) 7.348 7.948 ( -2.639 0.450 -4.571) 5.297 9.017 ( 0.103 0.411 -0.670) 0.793 9.134 ( 0.315 1.362 2.147) 2.562 9.193 ( 2.581 -0.273 1.034) 2.794 9.232 ( -2.505 -2.482 -2.730) 4.460 9.336 ( 3.590 0.026 -0.389) 3.611 9.398 ( -0.348 -0.950 -0.502) 1.130 9.423 ( -0.186 2.057 -0.381) 2.100 9.451 ( -2.841 -1.843 -1.507) 3.707 9.486 ( 0.272 -0.198 -1.007) 1.062 9.502 ( -0.596 1.749 -1.226) 2.218 9.589 ( 0.429 -0.526 -0.877) 1.109 9.652 ( -3.752 2.345 -0.295) 4.434 9.716 ( -0.297 0.305 -1.096) 1.176 9.782 ( 0.699 1.606 0.272) 1.772 9.821 ( 1.179 -0.787 -1.095) 1.791 9.888 ( 0.226 0.029 -0.261) 0.347 10.055 ( 0.026 -4.677 0.062) 4.678 10.070 ( -0.942 -4.530 0.450) 4.648 10.095 ( 0.185 -4.069 -1.451) 4.324 10.120 ( 0.179 -6.392 1.423) 6.551 10.147 ( -0.573 -5.848 1.632) 6.099 10.171 ( -0.583 -3.198 0.396) 3.275 10.227 ( 2.151 -5.620 -0.976) 6.096 10.267 ( -1.013 -5.924 -0.572) 6.037 11.219 ( -0.245 0.738 4.854) 4.916 11.261 ( -0.330 -1.209 6.026) 6.155 11.281 ( 1.610 2.997 3.662) 4.999 11.311 ( -1.260 -0.460 5.906) 6.057 11.362 ( 2.029 3.120 2.137) 4.291 11.381 ( 1.381 2.926 0.696) 3.309 11.422 ( -2.581 2.573 0.682) 3.707 11.459 ( -2.524 0.902 1.444) 3.044 11.531 ( 1.985 -1.105 -1.475) 2.709 11.569 ( -1.248 -3.043 -0.741) 3.372 11.592 ( 2.768 -1.335 -0.292) 3.087 11.608 ( 0.914 -0.148 -0.559) 1.082 11.658 ( 1.264 -2.748 0.103) 3.026 11.674 ( 2.554 0.502 -0.644) 2.682 11.744 ( -2.332 -1.641 -0.474) 2.891 11.769 ( 2.065 0.677 0.350) 2.202 11.820 ( -0.730 1.777 2.287) 2.987 11.839 ( -0.499 -0.846 3.140) 3.290 11.933 ( 0.173 3.620 0.236) 3.632 11.957 ( -1.799 2.503 -0.712) 3.164 12.001 ( 0.149 1.565 1.407) 2.110 12.033 ( -1.958 -1.359 3.493) 4.228 12.099 ( 0.631 0.194 0.983) 1.184 12.126 ( -0.033 -0.295 1.528) 1.557 12.164 ( 1.929 2.155 -0.400) 2.920 12.203 ( -0.713 1.199 -0.029) 1.395 12.253 ( 0.596 1.105 0.143) 1.263 12.276 ( -2.689 2.404 -1.020) 3.749 12.355 ( -0.916 4.018 -0.954) 4.230 12.380 ( 0.469 2.264 -0.163) 2.318 12.402 ( 0.012 4.537 1.091) 4.666 12.447 ( 1.573 6.542 1.309) 6.855 12.470 ( -1.563 8.000 -0.153) 8.153 12.546 ( -1.697 7.107 2.844) 7.841 12.601 ( 3.150 9.314 -0.687) 9.856 12.659 ( -0.128 9.424 -1.890) 9.613 12.760 ( 3.078 1.394 0.573) 3.427 12.920 ( -5.216 -1.675 0.570) 5.508 13.076 ( 1.412 4.815 -4.791) 6.938 13.133 ( 0.963 2.445 -2.693) 3.763 16.086 ( -0.183 -1.954 1.481) 2.459 16.098 ( -0.013 -1.694 1.734) 2.424 16.162 ( 0.440 -2.497 -0.426) 2.571 16.168 ( 0.190 -1.281 -0.352) 1.342 16.185 ( -0.550 -2.448 0.150) 2.513 16.222 ( -0.352 -1.808 1.112) 2.151 16.229 ( 0.296 -1.950 -0.174) 1.980 16.247 ( 0.031 -2.002 0.360) 2.035 17.253 ( -0.444 -4.851 4.286) 6.489 17.258 ( -0.161 -4.817 4.959) 6.915 17.433 ( 2.958 -3.662 3.649) 5.957 17.490 ( -2.632 -2.512 4.824) 6.042 17.556 ( 1.788 -3.697 -3.127) 5.162 17.601 ( -2.076 -1.123 -0.332) 2.384 17.703 ( -0.261 2.393 1.203) 2.691 17.739 ( 2.487 -0.544 1.553) 2.982 17.807 ( 1.931 3.064 2.259) 4.269 17.857 ( 3.311 -1.712 -3.134) 4.870 17.949 ( -1.198 6.560 0.639) 6.699 17.994 ( -5.962 4.428 0.110) 7.427 18.032 ( -0.828 8.188 -0.691) 8.259 18.114 ( -4.151 8.968 -0.655) 9.904 18.223 ( 2.640 6.741 -1.828) 7.467 18.306 ( -1.508 6.174 -7.289) 9.670 18.464 ( 9.517 -3.537 8.250) 13.082 18.632 ( -7.884 -5.118 10.640) 14.197 18.972 ( 9.974 -7.581 7.022) 14.362 19.131 ( -6.660 -5.779 5.026) 10.149 19.492 ( -0.067 -19.576 -12.820) 23.400 19.547 ( -1.573 -15.682 -10.519) 18.948 19.696 ( 4.206 -8.005 -9.611) 13.196 19.777 ( -3.412 -3.969 -10.092) 11.369 ======================= Grid point 36 (17/30) ======================= q-point: ( 0.00 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.164 ( 0.000 -9.697 -6.150) 11.483 1.366 ( 0.000 3.791 4.148) 5.619 1.385 ( 0.000 -13.025 -2.232) 13.215 1.660 ( 0.000 -6.596 -10.359) 12.280 1.695 ( 0.000 -0.033 3.314) 3.314 1.794 ( 0.000 -3.226 -0.806) 3.326 1.889 ( 0.000 -0.871 -2.433) 2.585 2.008 ( 0.000 9.296 1.971) 9.503 2.054 ( 0.000 7.429 2.854) 7.958 2.112 ( 0.000 0.938 5.309) 5.392 2.152 ( 0.000 5.429 1.052) 5.530 2.316 ( 0.000 7.639 3.658) 8.469 2.359 ( 0.000 8.939 8.993) 12.680 2.405 ( 0.000 9.830 4.432) 10.783 2.410 ( 0.000 6.093 -5.053) 7.916 2.511 ( 0.000 6.322 -3.976) 7.469 2.555 ( 0.000 2.075 1.417) 2.512 2.667 ( 0.000 -0.169 1.551) 1.560 2.715 ( 0.000 2.933 -1.813) 3.448 2.744 ( 0.000 2.007 -2.122) 2.920 2.812 ( 0.000 3.943 -3.074) 5.000 2.837 ( 0.000 -2.300 -1.242) 2.614 2.916 ( 0.000 2.555 -3.274) 4.153 2.941 ( 0.000 0.439 2.729) 2.764 2.972 ( 0.000 6.001 2.966) 6.694 2.972 ( 0.000 5.574 -2.782) 6.229 3.073 ( 0.000 0.482 -0.715) 0.863 3.100 ( 0.000 3.709 -5.845) 6.923 3.162 ( 0.000 4.178 1.623) 4.482 3.200 ( 0.000 3.802 -2.861) 4.758 3.268 ( 0.000 2.188 5.202) 5.643 3.319 ( 0.000 1.251 0.513) 1.352 3.357 ( 0.000 6.074 0.474) 6.092 3.392 ( 0.000 3.215 0.579) 3.267 3.420 ( 0.000 3.743 -2.623) 4.570 3.503 ( 0.000 1.991 1.649) 2.586 3.546 ( 0.000 1.574 -0.714) 1.728 3.605 ( 0.000 2.318 0.137) 2.322 3.606 ( 0.000 -1.099 -1.743) 2.060 3.691 ( 0.000 -0.022 4.542) 4.542 3.695 ( 0.000 6.803 3.612) 7.702 3.717 ( 0.000 3.844 -1.030) 3.979 3.803 ( 0.000 3.167 1.788) 3.637 3.808 ( 0.000 -5.696 -0.672) 5.736 3.878 ( 0.000 -4.392 1.531) 4.651 3.878 ( 0.000 1.291 0.216) 1.309 3.914 ( 0.000 -0.532 1.591) 1.678 3.984 ( 0.000 0.236 0.190) 0.303 3.999 ( 0.000 9.934 1.545) 10.054 4.089 ( 0.000 -0.232 1.138) 1.161 4.123 ( 0.000 1.884 -0.350) 1.917 4.201 ( 0.000 4.427 0.043) 4.427 4.207 ( 0.000 6.556 -2.616) 7.059 4.286 ( 0.000 6.293 -6.089) 8.757 4.320 ( 0.000 2.732 -0.467) 2.771 4.354 ( 0.000 -3.107 -2.471) 3.970 4.428 ( 0.000 2.306 0.309) 2.326 4.432 ( 0.000 6.089 -3.328) 6.940 4.516 ( 0.000 11.569 -0.374) 11.575 4.545 ( 0.000 -0.942 -0.905) 1.306 4.621 ( 0.000 1.924 -1.215) 2.275 4.682 ( 0.000 1.063 3.460) 3.620 4.717 ( 0.000 -6.502 -1.129) 6.599 4.734 ( 0.000 2.968 -0.611) 3.030 4.806 ( 0.000 -2.175 0.129) 2.179 4.827 ( 0.000 1.448 -0.076) 1.450 4.859 ( 0.000 5.856 -2.015) 6.193 4.959 ( 0.000 0.254 0.198) 0.322 5.028 ( 0.000 1.305 0.610) 1.441 5.089 ( 0.000 -1.446 -1.409) 2.019 5.168 ( 0.000 -0.396 0.450) 0.599 5.241 ( 0.000 3.329 -1.361) 3.596 5.347 ( 0.000 4.156 -1.607) 4.456 5.385 ( 0.000 6.109 1.683) 6.336 5.446 ( 0.000 6.924 -0.522) 6.944 5.483 ( 0.000 7.671 -3.018) 8.243 5.573 ( 0.000 5.144 0.370) 5.158 5.633 ( 0.000 4.951 -2.785) 5.681 5.699 ( 0.000 2.457 -0.710) 2.557 5.701 ( 0.000 4.703 -0.190) 4.707 5.875 ( 0.000 0.914 -1.492) 1.750 5.915 ( 0.000 -1.700 -0.960) 1.952 5.984 ( 0.000 -4.138 -1.161) 4.298 5.986 ( 0.000 -2.101 2.744) 3.456 6.012 ( 0.000 -2.475 1.790) 3.055 6.087 ( 0.000 -2.180 2.006) 2.963 6.109 ( 0.000 -2.386 0.929) 2.560 6.151 ( 0.000 -4.259 2.655) 5.019 6.169 ( 0.000 -0.112 1.747) 1.751 6.239 ( 0.000 -5.763 3.265) 6.624 6.294 ( 0.000 -2.157 3.243) 3.895 6.363 ( 0.000 -2.743 -0.017) 2.743 6.394 ( 0.000 -0.478 1.287) 1.373 6.406 ( 0.000 -2.696 -2.355) 3.579 6.555 ( 0.000 0.050 -2.520) 2.520 6.584 ( 0.000 -0.091 0.834) 0.839 6.590 ( 0.000 -2.606 -0.147) 2.610 6.659 ( 0.000 -3.693 -0.737) 3.766 6.682 ( 0.000 -3.522 0.692) 3.589 6.722 ( 0.000 -3.720 -2.051) 4.248 6.808 ( 0.000 1.100 0.118) 1.107 6.874 ( 0.000 0.500 -1.280) 1.374 6.958 ( 0.000 -5.439 0.995) 5.529 6.965 ( 0.000 0.010 -0.102) 0.102 7.019 ( 0.000 0.822 0.328) 0.885 7.033 ( 0.000 0.784 2.016) 2.163 7.085 ( 0.000 -3.946 1.441) 4.201 7.151 ( 0.000 -0.907 0.155) 0.921 7.183 ( 0.000 -1.906 -3.109) 3.647 7.222 ( 0.000 -3.432 -0.956) 3.563 7.322 ( 0.000 -2.835 -1.642) 3.276 7.336 ( 0.000 -4.072 -4.157) 5.819 7.655 ( 0.000 3.728 -0.964) 3.851 7.667 ( 0.000 2.864 -0.949) 3.017 7.711 ( 0.000 5.407 0.084) 5.408 7.716 ( 0.000 3.554 -0.526) 3.593 7.810 ( 0.000 5.761 0.871) 5.826 7.889 ( 0.000 2.407 -2.613) 3.553 7.933 ( 0.000 2.047 -2.407) 3.160 7.956 ( 0.000 1.306 -1.559) 2.034 9.025 ( 0.000 1.041 -0.723) 1.268 9.109 ( 0.000 -1.477 -0.875) 1.717 9.160 ( 0.000 0.009 -0.008) 0.012 9.212 ( 0.000 -2.757 -3.207) 4.229 9.306 ( 0.000 -1.425 -3.334) 3.626 9.358 ( 0.000 -4.094 -3.590) 5.445 9.403 ( 0.000 1.760 1.430) 2.268 9.460 ( 0.000 0.006 -0.451) 0.451 9.508 ( 0.000 0.441 0.540) 0.697 9.581 ( 0.000 3.521 2.457) 4.294 9.603 ( 0.000 -0.717 -1.912) 2.042 9.681 ( 0.000 -2.134 0.671) 2.237 9.733 ( 0.000 -1.139 1.744) 2.083 9.758 ( 0.000 0.530 -1.798) 1.875 9.819 ( 0.000 0.372 1.344) 1.395 9.846 ( 0.000 -2.354 1.140) 2.616 9.965 ( 0.000 -5.416 0.143) 5.418 9.987 ( 0.000 -4.874 -0.733) 4.929 10.000 ( 0.000 -2.690 1.538) 3.099 10.035 ( 0.000 -1.219 -1.451) 1.895 10.076 ( 0.000 0.228 -0.497) 0.547 10.136 ( 0.000 -2.636 0.133) 2.639 10.146 ( 0.000 -0.069 0.176) 0.189 10.204 ( 0.000 -0.580 0.959) 1.121 11.226 ( 0.000 -0.527 5.215) 5.242 11.241 ( 0.000 0.317 4.571) 4.582 11.303 ( 0.000 0.900 4.239) 4.334 11.311 ( 0.000 0.684 4.734) 4.784 11.378 ( 0.000 -1.636 0.961) 1.897 11.407 ( 0.000 0.090 0.570) 0.577 11.449 ( 0.000 -1.775 1.140) 2.110 11.477 ( 0.000 4.148 -0.374) 4.165 11.518 ( 0.000 -0.802 -0.078) 0.806 11.530 ( 0.000 -1.450 -0.460) 1.521 11.560 ( 0.000 0.982 -1.590) 1.869 11.612 ( 0.000 -0.143 -0.369) 0.395 11.631 ( 0.000 -0.793 -0.466) 0.920 11.685 ( 0.000 0.991 -2.313) 2.517 11.751 ( 0.000 0.921 0.763) 1.196 11.769 ( 0.000 1.516 1.474) 2.114 11.817 ( 0.000 -0.260 3.343) 3.353 11.862 ( 0.000 -0.639 2.961) 3.029 11.919 ( 0.000 -1.933 3.745) 4.214 12.013 ( 0.000 0.202 3.422) 3.428 12.016 ( 0.000 -2.400 0.969) 2.588 12.057 ( 0.000 -0.242 -1.030) 1.058 12.071 ( 0.000 0.830 -1.722) 1.911 12.129 ( 0.000 0.333 0.176) 0.376 12.193 ( 0.000 2.143 -1.249) 2.480 12.238 ( 0.000 -3.716 -0.316) 3.730 12.240 ( 0.000 2.486 0.991) 2.677 12.281 ( 0.000 -1.147 -1.105) 1.593 12.398 ( 0.000 0.959 -1.457) 1.744 12.424 ( 0.000 2.307 1.646) 2.834 12.518 ( 0.000 4.109 1.861) 4.511 12.538 ( 0.000 6.697 2.288) 7.077 12.613 ( 0.000 2.956 -0.090) 2.957 12.677 ( 0.000 2.657 0.929) 2.815 12.765 ( 0.000 10.309 1.233) 10.382 12.794 ( 0.000 11.169 1.331) 11.248 13.033 ( 0.000 9.974 -2.224) 10.219 13.034 ( 0.000 2.109 -2.258) 3.090 13.067 ( 0.000 6.701 -0.318) 6.709 13.279 ( 0.000 9.332 -4.289) 10.270 16.044 ( 0.000 -1.577 1.269) 2.024 16.078 ( 0.000 -0.859 0.599) 1.047 16.099 ( 0.000 -2.543 -0.103) 2.545 16.131 ( 0.000 -1.816 -0.540) 1.894 16.147 ( 0.000 -1.533 0.133) 1.538 16.178 ( 0.000 -1.947 -0.338) 1.976 16.201 ( 0.000 -1.192 0.113) 1.198 16.212 ( 0.000 -1.232 -0.115) 1.237 17.149 ( 0.000 -4.061 1.798) 4.441 17.191 ( 0.000 -2.064 3.146) 3.763 17.318 ( 0.000 -2.838 1.734) 3.326 17.418 ( 0.000 -5.277 -2.841) 5.994 17.485 ( 0.000 -3.565 2.685) 4.463 17.565 ( 0.000 -6.288 0.299) 6.295 17.614 ( 0.000 -5.329 -0.073) 5.329 17.675 ( 0.000 -6.895 -0.920) 6.956 17.801 ( 0.000 1.579 0.251) 1.599 17.901 ( 0.000 0.402 -0.832) 0.924 17.942 ( 0.000 -0.197 1.366) 1.380 18.129 ( 0.000 -4.731 -0.879) 4.812 18.156 ( 0.000 -1.199 -3.769) 3.956 18.204 ( 0.000 -0.401 4.189) 4.209 18.214 ( 0.000 -9.675 -6.523) 11.668 18.355 ( 0.000 2.231 -0.659) 2.326 18.361 ( 0.000 9.286 -0.234) 9.289 18.763 ( 0.000 9.251 9.551) 13.296 18.872 ( 0.000 5.516 5.608) 7.866 19.032 ( 0.000 -13.945 -6.611) 15.433 19.256 ( 0.000 5.797 3.805) 6.934 19.389 ( 0.000 -9.211 -5.859) 10.917 19.429 ( 0.000 -5.337 -5.388) 7.584 19.746 ( 0.000 -4.157 -7.393) 8.482 ======================= Grid point 37 (18/30) ======================= q-point: ( 0.33 0.33 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.183 ( 1.078 -10.421 -8.001) 13.182 1.339 ( -0.373 -5.370 -1.053) 5.485 1.405 ( 0.342 -5.097 4.139) 6.574 1.608 ( -4.065 -0.146 5.626) 6.943 1.667 ( -0.586 -4.566 -7.768) 9.030 1.839 ( 1.723 -6.164 -5.244) 8.275 1.917 ( 1.324 1.956 2.345) 3.328 1.977 ( -0.270 3.845 -1.491) 4.133 2.066 ( 0.434 8.540 2.325) 8.862 2.137 ( 2.235 9.234 4.848) 10.666 2.163 ( -1.246 8.531 5.663) 10.315 2.265 ( -0.268 6.239 3.091) 6.968 2.355 ( -1.936 6.648 -2.456) 7.347 2.416 ( 2.592 6.358 3.140) 7.550 2.461 ( 1.394 6.126 -0.393) 6.295 2.502 ( -2.354 1.079 -3.741) 4.550 2.588 ( 3.623 7.670 -0.661) 8.509 2.661 ( -0.535 2.968 1.424) 3.335 2.685 ( -2.269 0.571 0.141) 2.344 2.749 ( 1.053 1.842 0.564) 2.196 2.785 ( -2.627 0.755 -1.346) 3.047 2.842 ( 1.977 3.309 -1.822) 4.263 2.895 ( -0.029 1.897 0.265) 1.916 2.941 ( -1.149 0.850 -1.015) 1.753 2.979 ( -0.856 2.429 -0.516) 2.627 3.003 ( 1.155 5.141 1.428) 5.459 3.047 ( 0.058 3.140 -0.663) 3.209 3.109 ( -1.953 4.708 -1.316) 5.264 3.141 ( 0.623 2.099 -1.221) 2.507 3.206 ( -1.593 -0.426 1.226) 2.055 3.260 ( 1.526 3.626 -1.849) 4.347 3.299 ( -1.802 3.667 -0.753) 4.155 3.368 ( -1.222 5.392 -0.143) 5.531 3.399 ( 2.573 2.411 1.916) 4.013 3.410 ( 0.276 4.614 -0.921) 4.713 3.496 ( -1.110 3.356 1.341) 3.781 3.562 ( 0.554 1.314 1.885) 2.363 3.603 ( -1.098 1.777 3.261) 3.873 3.624 ( 2.335 1.030 0.728) 2.654 3.682 ( -1.446 1.410 1.662) 2.616 3.719 ( 1.898 1.978 -2.817) 3.931 3.743 ( 2.810 1.058 1.631) 3.417 3.771 ( -0.199 -2.917 -1.191) 3.157 3.832 ( -0.404 -2.449 -1.776) 3.051 3.869 ( -2.182 -1.579 1.254) 2.971 3.910 ( 0.665 6.518 1.116) 6.646 3.916 ( 2.867 0.179 1.448) 3.217 3.978 ( -1.577 2.510 -0.024) 2.964 4.005 ( 1.316 4.103 0.108) 4.311 4.056 ( -2.939 3.433 0.322) 4.531 4.117 ( -0.390 1.561 0.945) 1.866 4.160 ( -0.253 3.016 -0.041) 3.027 4.240 ( -0.326 5.277 -2.820) 5.992 4.264 ( -0.508 5.811 -1.310) 5.979 4.309 ( 0.558 1.501 -0.428) 1.658 4.392 ( 0.747 1.748 -2.508) 3.147 4.408 ( 1.031 2.665 -1.899) 3.432 4.456 ( -3.207 6.046 -0.215) 6.847 4.509 ( 2.689 6.419 -1.068) 7.041 4.557 ( 0.857 0.833 -0.475) 1.286 4.622 ( -2.694 -4.265 0.108) 5.046 4.639 ( 0.179 0.764 0.247) 0.823 4.697 ( -1.057 1.460 -1.336) 2.243 4.778 ( 1.963 0.060 0.561) 2.042 4.816 ( 0.799 1.150 0.385) 1.452 4.839 ( -0.427 5.454 -0.314) 5.480 4.867 ( 2.486 2.038 -1.335) 3.481 4.937 ( -2.219 0.807 -0.673) 2.455 5.036 ( -0.058 -2.728 -1.142) 2.958 5.104 ( 1.961 0.424 -0.324) 2.033 5.148 ( -2.197 0.467 -0.664) 2.342 5.214 ( -1.431 2.657 -0.108) 3.020 5.339 ( 0.088 4.915 -0.787) 4.978 5.380 ( -0.514 5.869 -1.343) 6.042 5.476 ( 2.060 5.742 0.634) 6.133 5.498 ( 0.513 6.942 -1.623) 7.148 5.581 ( 0.807 5.702 0.049) 5.759 5.608 ( -2.099 7.054 -2.662) 7.826 5.662 ( -0.906 2.724 -1.453) 3.217 5.744 ( 1.469 2.571 0.740) 3.052 5.876 ( 0.001 0.879 -2.087) 2.265 5.936 ( 1.892 -2.590 -0.556) 3.255 5.968 ( -0.535 -2.587 -0.993) 2.822 6.001 ( -0.819 -2.515 1.173) 2.893 6.023 ( 2.005 -2.193 1.742) 3.445 6.064 ( -1.501 -2.233 2.452) 3.640 6.125 ( -0.460 -3.976 1.166) 4.168 6.141 ( 0.905 -2.578 1.846) 3.297 6.183 ( 0.939 -1.661 1.862) 2.666 6.243 ( -2.353 -2.709 3.554) 5.050 6.245 ( -0.426 -3.205 2.546) 4.115 6.324 ( -2.590 -4.063 2.034) 5.231 6.412 ( 2.300 -1.139 -0.999) 2.755 6.457 ( 1.678 -1.102 -0.901) 2.201 6.550 ( -1.185 -0.453 -0.236) 1.290 6.569 ( 0.762 -0.639 -0.898) 1.340 6.601 ( -0.731 -1.259 -0.729) 1.628 6.634 ( -0.754 -3.955 -1.285) 4.226 6.683 ( 0.281 -3.813 -0.124) 3.825 6.714 ( -1.125 -3.310 -0.506) 3.532 6.854 ( 2.623 0.200 -0.802) 2.750 6.895 ( 2.802 1.701 0.235) 3.287 6.950 ( 1.122 -2.621 1.097) 3.055 6.980 ( -2.347 0.111 -0.357) 2.377 6.995 ( -0.909 -2.093 -1.023) 2.501 7.031 ( -0.558 -0.428 1.779) 1.913 7.091 ( 1.335 -2.966 1.112) 3.437 7.137 ( -0.869 -3.171 0.252) 3.298 7.182 ( -1.575 -1.429 -1.122) 2.404 7.188 ( -1.613 -2.469 -0.494) 2.991 7.312 ( 0.660 -3.492 -3.760) 5.174 7.363 ( 0.719 -3.312 -2.962) 4.502 7.654 ( -0.029 3.597 -0.517) 3.634 7.676 ( 0.586 2.649 -1.232) 2.980 7.700 ( -0.549 5.184 -0.064) 5.213 7.727 ( 0.388 3.650 -0.159) 3.674 7.824 ( 1.406 5.424 -0.275) 5.610 7.877 ( -1.347 2.453 -1.728) 3.289 7.927 ( -0.315 3.330 -2.315) 4.068 7.955 ( -0.075 1.170 -1.571) 1.960 9.032 ( 0.481 0.980 -2.054) 2.326 9.128 ( 1.706 -1.874 -2.655) 3.671 9.179 ( 0.697 -0.112 1.233) 1.421 9.201 ( -0.730 -0.143 -1.960) 2.097 9.313 ( 1.341 -2.428 -1.501) 3.153 9.346 ( 0.551 -3.146 -0.850) 3.305 9.381 ( -3.146 -1.799 -0.733) 3.697 9.425 ( -3.601 -1.384 -0.546) 3.896 9.523 ( 2.070 2.041 -0.243) 2.917 9.578 ( 0.996 1.591 -0.216) 1.890 9.602 ( -1.025 2.377 0.426) 2.624 9.690 ( -0.351 0.034 0.550) 0.653 9.716 ( -0.315 -0.336 0.494) 0.676 9.767 ( 0.532 -2.358 -1.898) 3.073 9.790 ( -1.582 -0.786 1.663) 2.426 9.852 ( 0.021 -3.174 0.384) 3.197 9.963 ( -0.612 -3.226 1.241) 3.510 9.994 ( 0.912 -4.173 0.590) 4.312 10.022 ( 2.261 -1.754 -0.590) 2.922 10.052 ( 1.194 -1.604 0.023) 2.000 10.078 ( -0.654 -0.405 -1.283) 1.496 10.117 ( -1.697 -0.511 1.575) 2.371 10.142 ( 0.069 -2.837 -0.803) 2.950 10.210 ( 0.373 0.202 0.666) 0.790 11.228 ( 0.131 0.318 4.822) 4.834 11.237 ( -0.217 -0.112 4.646) 4.652 11.306 ( 0.367 0.796 4.600) 4.682 11.314 ( -0.217 0.667 5.378) 5.424 11.393 ( 0.904 -1.887 -0.374) 2.126 11.420 ( 1.139 -0.508 0.506) 1.346 11.454 ( 0.455 -0.203 1.041) 1.154 11.481 ( -1.071 1.517 0.117) 1.861 11.520 ( 2.006 -0.239 -0.364) 2.053 11.547 ( 1.152 0.164 -1.199) 1.670 11.581 ( 2.322 0.989 -0.173) 2.530 11.599 ( -0.538 -0.742 -0.981) 1.342 11.616 ( -1.240 -0.396 -0.796) 1.526 11.674 ( -0.973 -0.536 -1.214) 1.645 11.710 ( -5.795 -1.244 1.739) 6.177 11.771 ( 0.778 -0.137 1.503) 1.698 11.817 ( 1.097 -0.135 2.767) 2.980 11.845 ( -0.510 -0.195 3.364) 3.408 11.935 ( 0.918 -1.671 2.761) 3.355 11.983 ( -2.258 1.223 0.335) 2.590 12.014 ( -1.245 -0.970 -0.719) 1.734 12.058 ( 1.117 0.882 2.341) 2.740 12.095 ( 1.293 -0.350 1.263) 1.841 12.133 ( -0.043 1.440 0.014) 1.440 12.193 ( -0.540 -0.487 -2.040) 2.166 12.223 ( 1.665 1.766 -1.249) 2.730 12.259 ( 0.051 -1.837 -0.156) 1.845 12.282 ( -0.570 0.731 1.049) 1.400 12.394 ( -0.137 0.423 -0.731) 0.856 12.434 ( 0.082 3.349 1.754) 3.781 12.514 ( 0.797 5.140 1.178) 5.333 12.589 ( 3.612 6.737 1.012) 7.711 12.619 ( 0.679 3.479 2.985) 4.634 12.666 ( -4.125 6.492 -0.959) 7.751 12.702 ( 1.141 2.722 -0.731) 3.040 12.867 ( -2.561 5.418 -0.739) 6.038 12.917 ( 1.667 7.452 1.231) 7.734 13.004 ( -4.227 14.562 -0.169) 15.164 13.184 ( 6.018 4.853 -2.957) 8.278 13.261 ( -2.313 7.845 -3.978) 9.095 16.049 ( 0.490 -1.345 1.054) 1.778 16.068 ( -0.802 -1.097 0.994) 1.684 16.106 ( 0.713 -2.604 -0.238) 2.711 16.124 ( -0.834 -2.317 -0.351) 2.488 16.153 ( 0.666 -0.948 -0.285) 1.193 16.187 ( 0.516 -1.585 -0.136) 1.673 16.194 ( -0.401 -1.222 0.065) 1.288 16.209 ( -0.317 -1.524 -0.043) 1.557 17.155 ( 0.627 -3.456 2.210) 4.149 17.177 ( -1.093 -2.229 2.972) 3.872 17.352 ( 3.390 -3.552 1.418) 5.111 17.427 ( -4.344 -3.654 1.707) 5.928 17.452 ( 2.857 -5.506 -2.185) 6.577 17.529 ( -4.514 -5.860 -0.527) 7.416 17.641 ( 4.498 -8.748 -1.854) 10.010 17.711 ( 1.133 -6.542 -0.487) 6.657 17.784 ( -1.294 1.802 -1.151) 2.500 17.865 ( -1.389 1.658 0.998) 2.382 17.984 ( -0.849 -3.271 -2.090) 3.973 18.019 ( -5.300 -0.441 0.982) 5.408 18.125 ( 4.280 2.078 1.805) 5.089 18.237 ( -4.181 1.582 1.837) 4.833 18.301 ( 3.295 -6.343 -2.110) 7.453 18.315 ( 1.663 -4.934 -3.012) 6.015 18.452 ( 5.764 8.675 0.601) 10.433 18.648 ( -7.496 7.695 6.993) 12.818 18.976 ( 6.737 -1.227 1.012) 6.922 19.086 ( 3.583 -1.990 -1.033) 4.226 19.198 ( -3.779 -1.099 1.144) 4.098 19.259 ( -6.904 -6.595 -4.638) 10.615 19.572 ( 8.189 -4.938 -5.555) 11.059 19.698 ( -5.071 -4.225 -6.663) 9.379 ======================= Grid point 39 (19/30) ======================= q-point: ( 0.00 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.022 ( 0.000 -1.701 -7.024) 7.227 1.118 ( 0.000 -10.164 -4.426) 11.086 1.406 ( 0.000 2.223 -3.913) 4.500 1.503 ( 0.000 -6.839 -9.955) 12.078 1.694 ( 0.000 -0.376 1.408) 1.457 1.714 ( 0.000 -2.762 -0.624) 2.832 1.914 ( 0.000 3.210 1.086) 3.389 1.993 ( 0.000 -3.918 -0.626) 3.967 2.195 ( 0.000 5.697 -4.053) 6.991 2.265 ( 0.000 2.168 0.032) 2.168 2.301 ( 0.000 8.845 2.644) 9.232 2.388 ( 0.000 2.971 -2.272) 3.740 2.530 ( 0.000 1.180 -0.106) 1.184 2.537 ( 0.000 3.599 1.864) 4.053 2.552 ( 0.000 -7.306 0.697) 7.339 2.558 ( 0.000 3.645 3.530) 5.074 2.637 ( 0.000 0.394 4.373) 4.391 2.655 ( 0.000 6.772 -0.571) 6.796 2.702 ( 0.000 3.631 0.878) 3.735 2.738 ( 0.000 1.756 -1.937) 2.614 2.806 ( 0.000 -1.740 0.622) 1.848 2.853 ( 0.000 0.018 0.933) 0.933 2.933 ( 0.000 -0.631 -3.059) 3.124 2.969 ( 0.000 0.832 2.432) 2.570 3.072 ( 0.000 3.588 -0.548) 3.630 3.088 ( 0.000 1.871 -0.659) 1.984 3.115 ( 0.000 3.800 1.816) 4.211 3.146 ( 0.000 0.678 -2.562) 2.650 3.188 ( 0.000 0.855 4.157) 4.244 3.234 ( 0.000 0.248 3.523) 3.532 3.308 ( 0.000 -0.415 1.144) 1.217 3.340 ( 0.000 -0.707 2.721) 2.812 3.382 ( 0.000 0.684 0.286) 0.741 3.402 ( 0.000 -0.887 -2.630) 2.776 3.479 ( 0.000 1.288 -1.725) 2.152 3.496 ( 0.000 -0.622 1.048) 1.219 3.530 ( 0.000 -4.095 3.221) 5.210 3.559 ( 0.000 -0.291 -1.361) 1.392 3.608 ( 0.000 -1.468 -1.098) 1.834 3.632 ( 0.000 -3.142 -1.845) 3.643 3.715 ( 0.000 -3.869 1.532) 4.161 3.724 ( 0.000 -2.972 0.649) 3.042 3.756 ( 0.000 0.600 2.044) 2.130 3.782 ( 0.000 -2.032 3.391) 3.953 3.842 ( 0.000 4.365 -0.324) 4.377 3.895 ( 0.000 1.866 -2.249) 2.922 3.976 ( 0.000 5.764 -0.636) 5.799 4.019 ( 0.000 -1.972 0.992) 2.208 4.029 ( 0.000 -0.273 1.804) 1.825 4.144 ( 0.000 -6.441 -1.983) 6.739 4.185 ( 0.000 1.707 -2.047) 2.666 4.226 ( 0.000 -2.244 -4.116) 4.688 4.289 ( 0.000 2.924 -0.368) 2.947 4.296 ( 0.000 3.510 -0.367) 3.529 4.458 ( 0.000 4.538 -5.465) 7.103 4.463 ( 0.000 10.117 1.693) 10.258 4.500 ( 0.000 4.425 1.522) 4.679 4.513 ( 0.000 -0.091 -4.561) 4.562 4.559 ( 0.000 2.576 -1.410) 2.937 4.574 ( 0.000 -0.702 -2.336) 2.439 4.682 ( 0.000 2.286 -0.042) 2.287 4.695 ( 0.000 -0.977 1.414) 1.719 4.715 ( 0.000 1.085 0.135) 1.093 4.761 ( 0.000 -0.992 1.473) 1.776 4.792 ( 0.000 0.691 1.736) 1.869 4.839 ( 0.000 -2.387 2.405) 3.389 4.966 ( 0.000 4.082 -1.281) 4.279 5.000 ( 0.000 2.119 -1.639) 2.679 5.077 ( 0.000 3.529 0.514) 3.566 5.115 ( 0.000 2.787 0.100) 2.789 5.235 ( 0.000 4.599 -0.022) 4.599 5.290 ( 0.000 0.480 -0.815) 0.946 5.472 ( 0.000 5.165 1.951) 5.521 5.494 ( 0.000 2.936 2.845) 4.088 5.569 ( 0.000 4.254 0.434) 4.276 5.629 ( 0.000 -0.538 1.437) 1.535 5.644 ( 0.000 5.807 -0.823) 5.865 5.694 ( 0.000 0.903 -2.778) 2.921 5.777 ( 0.000 5.228 -2.964) 6.010 5.829 ( 0.000 3.868 0.446) 3.893 5.870 ( 0.000 -0.549 -1.226) 1.343 5.882 ( 0.000 -1.166 -2.086) 2.390 5.930 ( 0.000 0.424 -1.190) 1.263 5.952 ( 0.000 -0.749 0.997) 1.247 6.004 ( 0.000 0.955 3.472) 3.601 6.022 ( 0.000 -4.540 0.932) 4.634 6.054 ( 0.000 -1.573 -1.115) 1.929 6.071 ( 0.000 -3.525 3.179) 4.746 6.133 ( 0.000 -2.455 1.605) 2.933 6.138 ( 0.000 -2.542 4.590) 5.247 6.232 ( 0.000 -1.727 3.970) 4.329 6.276 ( 0.000 -4.776 0.325) 4.787 6.384 ( 0.000 0.423 -2.489) 2.524 6.386 ( 0.000 0.023 0.266) 0.267 6.523 ( 0.000 -1.786 0.367) 1.823 6.550 ( 0.000 -1.302 -0.466) 1.383 6.586 ( 0.000 -1.353 -1.442) 1.977 6.602 ( 0.000 -1.976 -2.713) 3.357 6.624 ( 0.000 0.321 -2.182) 2.206 6.659 ( 0.000 -2.359 -0.648) 2.446 6.847 ( 0.000 1.638 -0.972) 1.904 6.862 ( 0.000 -0.659 0.270) 0.712 6.912 ( 0.000 0.826 0.866) 1.197 6.950 ( 0.000 -2.034 1.248) 2.386 7.024 ( 0.000 -0.067 0.369) 0.375 7.032 ( 0.000 0.131 0.939) 0.948 7.071 ( 0.000 1.875 -0.855) 2.060 7.122 ( 0.000 -2.670 -2.821) 3.884 7.161 ( 0.000 0.633 -1.324) 1.468 7.198 ( 0.000 1.549 -1.547) 2.189 7.229 ( 0.000 -5.157 -2.454) 5.711 7.256 ( 0.000 -3.299 -2.417) 4.089 7.700 ( 0.000 0.723 -0.846) 1.113 7.701 ( 0.000 0.791 -0.887) 1.189 7.766 ( 0.000 1.266 0.278) 1.296 7.774 ( 0.000 0.769 0.372) 0.855 7.896 ( 0.000 1.913 -0.014) 1.913 7.904 ( 0.000 0.367 0.133) 0.390 7.967 ( 0.000 1.779 -1.037) 2.059 7.990 ( 0.000 0.287 -1.600) 1.626 9.062 ( 0.000 2.374 -1.207) 2.663 9.094 ( 0.000 -0.246 -1.463) 1.484 9.146 ( 0.000 -1.021 -0.821) 1.310 9.155 ( 0.000 -2.414 -1.229) 2.709 9.285 ( 0.000 -0.275 -3.089) 3.102 9.297 ( 0.000 -1.592 -2.973) 3.373 9.438 ( 0.000 1.058 1.444) 1.790 9.452 ( 0.000 -0.575 0.110) 0.585 9.518 ( 0.000 1.314 -1.754) 2.191 9.566 ( 0.000 -2.664 -2.984) 4.000 9.634 ( 0.000 1.402 1.062) 1.759 9.648 ( 0.000 -0.532 0.788) 0.950 9.714 ( 0.000 0.225 -0.310) 0.383 9.744 ( 0.000 -1.930 -1.592) 2.501 9.814 ( 0.000 -0.428 1.657) 1.712 9.822 ( 0.000 -0.462 0.954) 1.060 9.884 ( 0.000 -1.381 0.836) 1.614 9.904 ( 0.000 -2.675 -0.219) 2.684 9.991 ( 0.000 1.239 1.109) 1.663 10.021 ( 0.000 -0.961 0.184) 0.978 10.095 ( 0.000 0.557 -0.252) 0.611 10.099 ( 0.000 -0.496 -0.408) 0.643 10.170 ( 0.000 1.844 2.411) 3.035 10.200 ( 0.000 -0.659 3.195) 3.262 11.242 ( 0.000 1.866 3.142) 3.655 11.267 ( 0.000 2.340 2.673) 3.553 11.290 ( 0.000 -2.330 2.053) 3.106 11.336 ( 0.000 -3.660 1.218) 3.857 11.338 ( 0.000 1.663 2.517) 3.016 11.358 ( 0.000 -0.850 2.736) 2.865 11.458 ( 0.000 0.675 0.849) 1.084 11.473 ( 0.000 -1.364 0.502) 1.453 11.519 ( 0.000 -0.244 -0.976) 1.006 11.526 ( 0.000 -0.542 -0.632) 0.832 11.584 ( 0.000 1.407 -0.113) 1.412 11.607 ( 0.000 -0.384 0.020) 0.385 11.647 ( 0.000 2.220 -0.136) 2.224 11.686 ( 0.000 -1.030 -1.260) 1.628 11.774 ( 0.000 -0.431 2.985) 3.016 11.775 ( 0.000 0.311 1.713) 1.741 11.842 ( 0.000 1.774 2.093) 2.743 11.856 ( 0.000 0.747 2.590) 2.696 11.889 ( 0.000 0.585 1.526) 1.634 11.949 ( 0.000 -3.085 0.549) 3.133 11.998 ( 0.000 -1.327 0.457) 1.403 12.013 ( 0.000 -3.177 -1.291) 3.430 12.083 ( 0.000 1.265 2.039) 2.399 12.136 ( 0.000 -3.769 0.782) 3.850 12.186 ( 0.000 3.365 -1.344) 3.623 12.226 ( 0.000 -0.134 -1.609) 1.615 12.284 ( 0.000 1.106 0.566) 1.243 12.286 ( 0.000 0.479 0.149) 0.502 12.418 ( 0.000 0.822 0.342) 0.891 12.432 ( 0.000 -0.510 1.426) 1.514 12.590 ( 0.000 3.157 2.266) 3.886 12.634 ( 0.000 0.557 3.123) 3.172 12.688 ( 0.000 2.317 1.004) 2.525 12.691 ( 0.000 0.785 1.340) 1.553 12.958 ( 0.000 7.142 -0.595) 7.167 12.987 ( 0.000 6.248 -0.287) 6.255 13.061 ( 0.000 -1.037 -0.594) 1.195 13.069 ( 0.000 0.012 -0.854) 0.854 13.320 ( 0.000 9.453 -1.992) 9.660 13.408 ( 0.000 1.497 -3.301) 3.625 16.027 ( 0.000 0.075 0.697) 0.701 16.046 ( 0.000 -1.643 0.246) 1.661 16.079 ( 0.000 0.298 -0.026) 0.299 16.096 ( 0.000 -1.297 -0.401) 1.358 16.132 ( 0.000 0.028 -0.103) 0.106 16.145 ( 0.000 -1.140 -0.320) 1.184 16.185 ( 0.000 -0.251 -0.430) 0.498 16.191 ( 0.000 -0.700 -0.473) 0.845 17.130 ( 0.000 2.968 -0.780) 3.069 17.208 ( 0.000 4.023 0.649) 4.075 17.266 ( 0.000 -8.337 -3.651) 9.101 17.304 ( 0.000 0.357 -0.385) 0.525 17.409 ( 0.000 -5.664 0.013) 5.664 17.439 ( 0.000 -4.229 1.129) 4.377 17.446 ( 0.000 -3.640 1.521) 3.945 17.502 ( 0.000 -8.376 -0.076) 8.376 17.861 ( 0.000 4.046 -1.144) 4.204 17.907 ( 0.000 0.716 -2.558) 2.656 17.954 ( 0.000 1.293 -0.010) 1.293 18.017 ( 0.000 -6.714 -2.714) 7.241 18.050 ( 0.000 -2.576 -1.171) 2.829 18.079 ( 0.000 -4.578 -0.370) 4.593 18.251 ( 0.000 6.117 3.428) 7.012 18.383 ( 0.000 -2.945 1.309) 3.223 18.525 ( 0.000 5.779 -0.590) 5.809 18.656 ( 0.000 -10.001 -3.939) 10.749 18.990 ( 0.000 10.543 3.146) 11.002 19.130 ( 0.000 5.247 1.508) 5.460 19.215 ( 0.000 -3.946 -0.502) 3.978 19.320 ( 0.000 -5.864 -1.303) 6.007 19.454 ( 0.000 9.519 0.673) 9.543 19.631 ( 0.000 -6.998 -3.224) 7.705 ======================= Grid point 40 (20/30) ======================= q-point: ( 0.33 0.44 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.012 ( -0.367 -4.438 -9.046) 10.083 1.179 ( 5.189 -5.704 -6.112) 9.839 1.319 ( -5.882 -2.556 0.230) 6.418 1.569 ( 3.094 -2.783 -8.487) 9.453 1.620 ( -4.230 -0.072 4.409) 6.110 1.699 ( -1.291 -4.306 -6.317) 7.753 1.933 ( 0.526 0.296 1.711) 1.814 1.995 ( 0.537 -0.583 1.675) 1.853 2.238 ( 2.709 5.875 -3.879) 7.543 2.269 ( -0.042 4.892 -2.075) 5.314 2.324 ( 3.848 2.626 0.178) 4.661 2.405 ( -1.986 0.439 -1.633) 2.608 2.506 ( 0.637 3.612 2.593) 4.491 2.524 ( -1.961 6.439 -0.453) 6.746 2.543 ( -0.554 5.728 1.677) 5.994 2.606 ( 2.016 0.441 -0.529) 2.131 2.616 ( -0.168 3.477 1.128) 3.659 2.691 ( 0.948 -0.851 1.386) 1.882 2.718 ( 3.901 1.027 2.367) 4.677 2.752 ( 0.835 0.590 1.146) 1.536 2.802 ( 1.492 -2.542 2.409) 3.807 2.823 ( -2.873 2.058 -1.116) 3.706 2.916 ( -2.052 -1.707 -0.048) 2.670 2.970 ( -3.832 -1.302 2.219) 4.616 3.010 ( -2.563 2.125 2.037) 3.903 3.047 ( -2.588 2.602 2.555) 4.472 3.107 ( -1.032 2.022 0.799) 2.407 3.158 ( 3.303 -0.915 -0.572) 3.474 3.202 ( 2.575 2.670 -3.105) 4.837 3.234 ( 0.400 1.131 1.398) 1.842 3.275 ( -3.890 0.179 -0.150) 3.897 3.318 ( -3.187 0.291 1.954) 3.750 3.394 ( 2.562 1.404 1.870) 3.469 3.448 ( 2.566 -0.045 -1.858) 3.168 3.479 ( -0.341 0.372 -0.725) 0.884 3.523 ( 1.639 -3.989 0.881) 4.401 3.553 ( 2.525 -0.121 0.021) 2.528 3.583 ( 1.613 2.028 1.050) 2.796 3.601 ( -0.669 -1.773 -0.392) 1.935 3.676 ( 1.134 -2.696 -1.915) 3.496 3.682 ( -2.551 -2.595 0.798) 3.725 3.695 ( -3.460 -2.475 -0.661) 4.305 3.747 ( 2.651 -3.376 1.158) 4.445 3.778 ( -1.654 2.069 2.097) 3.379 3.822 ( 1.767 1.745 4.027) 4.731 3.888 ( -3.210 -2.933 -1.381) 4.562 3.933 ( -1.597 -2.245 -0.651) 2.831 4.005 ( -0.057 -0.484 0.505) 0.702 4.105 ( 3.973 3.583 -0.696) 5.395 4.144 ( 0.180 0.207 -0.988) 1.025 4.158 ( -2.580 2.370 -1.436) 3.786 4.240 ( 0.799 2.061 -2.837) 3.596 4.320 ( 2.569 1.665 0.032) 3.061 4.338 ( 4.282 -0.274 -0.825) 4.369 4.418 ( -3.947 3.279 -1.995) 5.505 4.446 ( -2.640 2.036 -2.296) 4.048 4.478 ( -0.423 6.710 -2.558) 7.193 4.497 ( -0.826 1.857 0.367) 2.065 4.551 ( -1.357 2.636 1.089) 3.158 4.612 ( 3.225 2.573 -3.502) 5.411 4.667 ( -1.180 1.698 -0.569) 2.145 4.695 ( 0.528 1.466 0.046) 1.559 4.737 ( 2.151 -1.405 0.782) 2.685 4.758 ( -0.894 -0.640 0.970) 1.466 4.840 ( 3.467 2.643 1.051) 4.484 4.877 ( 2.651 -0.342 0.914) 2.825 4.921 ( -2.666 2.421 -0.186) 3.606 4.969 ( -3.910 0.206 -1.256) 4.112 5.076 ( 0.860 4.138 0.838) 4.309 5.121 ( -0.354 1.604 1.986) 2.577 5.223 ( -0.570 3.559 -1.807) 4.032 5.279 ( -0.739 2.200 -0.499) 2.374 5.465 ( -0.448 5.064 2.279) 5.571 5.498 ( 0.321 3.884 2.193) 4.472 5.578 ( 0.911 3.223 0.386) 3.372 5.614 ( -1.404 1.250 0.681) 2.000 5.665 ( 1.577 1.744 -0.992) 2.552 5.696 ( -0.011 3.766 -2.010) 4.269 5.770 ( -0.491 5.405 -2.594) 6.015 5.845 ( 1.323 4.274 0.044) 4.475 5.873 ( -0.289 -0.983 -2.454) 2.659 5.891 ( 0.725 -0.099 -0.786) 1.074 5.923 ( -0.021 -1.395 -1.791) 2.271 5.964 ( 0.105 -1.200 0.804) 1.448 5.985 ( -0.378 -0.752 3.044) 3.158 6.015 ( -1.434 -3.921 0.353) 4.190 6.062 ( 1.149 -1.973 0.305) 2.303 6.074 ( 0.065 -1.451 1.893) 2.385 6.128 ( -0.276 -1.484 2.105) 2.590 6.169 ( 2.639 -3.252 4.025) 5.808 6.209 ( -1.257 -1.216 4.475) 4.805 6.236 ( -3.632 -3.728 2.034) 5.589 6.394 ( 3.024 0.244 -1.993) 3.630 6.442 ( 1.064 0.246 -0.432) 1.175 6.512 ( -0.594 -3.639 -0.982) 3.816 6.533 ( -1.013 -3.239 -0.992) 3.535 6.561 ( -1.796 -0.354 -0.017) 1.830 6.589 ( -0.432 0.050 -0.969) 1.062 6.634 ( 1.341 -1.294 -2.959) 3.497 6.659 ( -1.237 -1.404 -2.282) 2.951 6.868 ( 2.499 0.364 -1.104) 2.756 6.894 ( 2.361 -0.044 0.324) 2.384 6.930 ( 1.115 1.023 0.683) 1.660 6.972 ( -0.747 -1.218 -0.325) 1.465 6.993 ( -0.648 0.393 1.335) 1.535 7.021 ( 0.539 -2.707 1.716) 3.250 7.049 ( -1.856 1.770 0.664) 2.650 7.090 ( -3.777 -1.748 -0.571) 4.201 7.158 ( -0.265 0.749 -2.329) 2.461 7.194 ( 0.330 1.235 -2.363) 2.686 7.226 ( 0.704 -3.383 -3.343) 4.808 7.283 ( 0.944 -3.844 -2.744) 4.816 7.698 ( -0.139 0.816 -0.851) 1.188 7.702 ( 0.099 0.390 -0.737) 0.839 7.763 ( -0.205 0.988 0.327) 1.061 7.776 ( 0.127 1.124 0.378) 1.193 7.895 ( 0.040 0.863 -0.115) 0.871 7.911 ( 0.354 1.714 0.298) 1.776 7.971 ( 0.531 1.384 -1.198) 1.906 7.984 ( -0.609 0.567 -1.451) 1.673 9.059 ( 0.182 1.545 -2.587) 3.019 9.097 ( 0.522 -1.255 -3.333) 3.600 9.171 ( 0.611 -0.278 0.068) 0.675 9.208 ( 2.736 0.190 -1.409) 3.083 9.268 ( 0.452 -1.218 -0.753) 1.502 9.290 ( 2.468 -1.679 -1.238) 3.232 9.374 ( -5.592 0.561 0.888) 5.690 9.397 ( -5.582 -1.196 0.428) 5.724 9.545 ( 1.789 0.712 -2.439) 3.107 9.573 ( 0.365 -1.107 -2.983) 3.202 9.645 ( 1.841 0.891 1.441) 2.502 9.675 ( 1.176 -0.422 0.466) 1.334 9.703 ( -1.193 -0.207 -0.526) 1.320 9.725 ( -1.270 -1.587 -1.873) 2.764 9.769 ( -1.463 -1.778 0.163) 2.308 9.815 ( -0.884 0.591 0.204) 1.083 9.909 ( 0.751 -3.113 1.573) 3.568 9.943 ( 0.657 0.043 3.389) 3.452 9.996 ( 3.961 0.294 -0.885) 4.069 10.041 ( 0.240 -0.689 -0.408) 0.835 10.083 ( -3.052 0.517 -1.107) 3.287 10.104 ( 1.366 -0.429 -0.491) 1.514 10.159 ( -0.098 2.261 3.353) 4.045 10.210 ( 0.368 -0.608 3.208) 3.286 11.251 ( 0.720 2.025 2.992) 3.684 11.263 ( -0.256 2.258 2.932) 3.709 11.304 ( 0.700 -2.060 2.151) 3.059 11.323 ( -0.399 -0.659 2.487) 2.603 11.353 ( 0.650 -2.278 1.158) 2.637 11.367 ( 0.624 0.035 2.842) 2.910 11.461 ( 0.419 -0.163 0.070) 0.455 11.486 ( 0.007 -0.727 0.802) 1.083 11.512 ( 0.777 -0.037 -0.851) 1.153 11.539 ( 1.793 -0.695 -0.359) 1.956 11.585 ( -1.587 0.456 -0.255) 1.670 11.600 ( -2.246 -0.883 0.158) 2.418 11.620 ( -0.170 0.580 1.234) 1.374 11.653 ( -1.101 -1.064 -1.237) 1.969 11.707 ( -4.702 0.486 2.953) 5.574 11.781 ( 0.717 0.190 2.287) 2.404 11.840 ( -0.382 1.660 1.418) 2.216 11.847 ( -0.085 1.802 1.680) 2.465 11.920 ( 1.778 0.381 0.065) 1.819 11.967 ( -0.126 -3.050 -1.138) 3.258 11.992 ( -1.568 -0.905 -0.930) 2.035 12.034 ( 3.837 -1.722 1.125) 4.353 12.088 ( -0.454 0.851 2.768) 2.932 12.137 ( -1.140 -2.251 1.500) 2.935 12.185 ( 0.109 0.657 -1.547) 1.684 12.232 ( 2.085 0.459 0.036) 2.135 12.272 ( -0.437 1.095 -0.107) 1.184 12.297 ( -0.247 0.347 1.083) 1.164 12.397 ( -0.573 0.033 -0.016) 0.574 12.487 ( 2.519 1.273 3.147) 4.227 12.588 ( 0.192 2.113 -0.500) 2.180 12.666 ( 0.302 0.440 3.892) 3.928 12.699 ( 3.175 3.008 1.028) 4.493 12.718 ( 3.979 1.320 -0.503) 4.223 12.816 ( -7.159 4.854 -0.004) 8.650 12.875 ( -9.079 -0.915 -0.100) 9.125 13.142 ( 8.183 8.666 -0.333) 11.924 13.234 ( 5.988 1.081 -1.381) 6.239 13.278 ( -2.599 7.960 -1.760) 8.556 13.366 ( -4.506 0.870 -2.860) 5.407 16.036 ( 0.863 0.171 0.542) 1.034 16.052 ( 0.069 -0.884 0.283) 0.931 16.065 ( -0.503 -0.657 0.030) 0.828 16.085 ( -1.068 -1.311 0.069) 1.693 16.142 ( 0.827 -0.129 -0.713) 1.099 16.161 ( 1.205 -0.776 -0.359) 1.477 16.178 ( -0.683 -0.253 -0.299) 0.787 16.184 ( -0.643 -0.784 -0.382) 1.084 17.148 ( 1.523 3.325 -0.739) 3.731 17.197 ( -1.111 4.552 0.356) 4.699 17.275 ( 0.799 -6.462 -2.958) 7.151 17.324 ( 1.422 -3.513 -1.505) 4.077 17.380 ( -1.713 -3.617 0.318) 4.015 17.405 ( -2.370 -1.670 1.367) 3.206 17.443 ( 0.408 -7.279 -0.368) 7.300 17.502 ( -1.174 -9.386 -0.659) 9.482 17.870 ( 0.683 4.980 -1.495) 5.245 17.890 ( -0.387 1.789 -1.222) 2.201 17.978 ( 1.935 1.319 -1.615) 2.845 18.014 ( -0.785 -2.876 -2.556) 3.927 18.085 ( 1.483 -5.124 1.115) 5.449 18.121 ( 4.765 -2.657 0.805) 5.515 18.206 ( -2.438 -0.465 3.738) 4.487 18.275 ( -7.837 -3.141 2.299) 8.750 18.634 ( 9.140 7.497 -1.017) 11.864 18.781 ( 9.653 -7.420 -4.033) 12.826 18.851 ( -9.705 8.722 1.343) 13.118 19.023 ( -10.739 -7.661 -1.897) 13.327 19.279 ( 7.873 9.828 2.342) 12.809 19.404 ( -4.806 9.133 1.257) 10.396 19.457 ( 8.253 -6.187 -1.426) 10.412 19.583 ( -5.022 -6.908 -2.586) 8.923 ======================= Grid point 54 (21/30) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.092 ( 0.000 0.000 26.439) 26.439 1.207 ( 0.000 0.000 26.136) 26.136 1.549 ( 0.000 0.000 9.522) 9.522 1.566 ( 0.000 0.000 6.198) 6.198 1.632 ( 0.000 0.000 11.911) 11.911 1.641 ( 0.000 0.000 -18.448) 18.448 1.680 ( 0.000 0.000 -1.839) 1.839 1.714 ( 0.000 0.000 -16.783) 16.783 1.868 ( 0.000 0.000 -4.290) 4.290 1.886 ( 0.000 0.000 5.856) 5.856 1.924 ( 0.000 0.000 4.501) 4.501 1.982 ( 0.000 0.000 1.847) 1.847 2.119 ( 0.000 0.000 4.285) 4.285 2.161 ( 0.000 0.000 0.438) 0.438 2.162 ( 0.000 0.000 2.313) 2.313 2.189 ( 0.000 0.000 3.373) 3.373 2.330 ( 0.000 0.000 4.231) 4.231 2.336 ( 0.000 0.000 5.319) 5.319 2.361 ( 0.000 0.000 -8.315) 8.315 2.385 ( 0.000 0.000 2.768) 2.768 2.471 ( 0.000 0.000 -4.256) 4.256 2.505 ( 0.000 0.000 -3.267) 3.267 2.555 ( 0.000 0.000 -6.118) 6.118 2.625 ( 0.000 0.000 -7.540) 7.540 2.665 ( 0.000 0.000 14.932) 14.932 2.697 ( 0.000 0.000 6.850) 6.850 2.813 ( 0.000 0.000 -0.661) 0.661 2.845 ( 0.000 0.000 -4.618) 4.618 2.887 ( 0.000 0.000 -0.893) 0.893 2.924 ( 0.000 0.000 0.803) 0.803 2.995 ( 0.000 0.000 -6.427) 6.427 3.071 ( 0.000 0.000 -2.616) 2.616 3.159 ( 0.000 0.000 1.515) 1.515 3.195 ( 0.000 0.000 4.813) 4.813 3.265 ( 0.000 0.000 -7.047) 7.047 3.266 ( 0.000 0.000 -0.744) 0.744 3.377 ( 0.000 0.000 0.127) 0.127 3.458 ( 0.000 0.000 9.623) 9.623 3.473 ( 0.000 0.000 2.660) 2.660 3.516 ( 0.000 0.000 -7.869) 7.869 3.588 ( 0.000 0.000 -1.359) 1.359 3.650 ( 0.000 0.000 -4.046) 4.046 3.664 ( 0.000 0.000 3.085) 3.085 3.664 ( 0.000 0.000 7.044) 7.044 3.711 ( 0.000 0.000 5.059) 5.059 3.726 ( 0.000 0.000 2.776) 2.776 3.749 ( 0.000 0.000 -2.505) 2.505 3.764 ( 0.000 0.000 -6.404) 6.404 3.888 ( 0.000 0.000 -7.153) 7.153 3.902 ( 0.000 0.000 -10.322) 10.322 3.944 ( 0.000 0.000 0.929) 0.929 4.014 ( 0.000 0.000 -6.053) 6.053 4.076 ( 0.000 0.000 4.105) 4.105 4.174 ( 0.000 0.000 5.273) 5.273 4.221 ( 0.000 0.000 -7.618) 7.618 4.306 ( 0.000 0.000 -8.167) 8.167 4.469 ( 0.000 0.000 3.012) 3.012 4.480 ( 0.000 0.000 4.266) 4.266 4.535 ( 0.000 0.000 -3.236) 3.236 4.559 ( 0.000 0.000 3.599) 3.599 4.567 ( 0.000 0.000 -2.641) 2.641 4.567 ( 0.000 0.000 0.835) 0.835 4.659 ( 0.000 0.000 2.588) 2.588 4.753 ( 0.000 0.000 -2.926) 2.926 4.953 ( 0.000 0.000 0.351) 0.351 4.961 ( 0.000 0.000 -0.496) 0.496 5.029 ( 0.000 0.000 0.739) 0.739 5.048 ( 0.000 0.000 0.026) 0.026 5.186 ( 0.000 0.000 0.174) 0.174 5.187 ( 0.000 0.000 3.234) 3.234 5.190 ( 0.000 0.000 2.553) 2.553 5.192 ( 0.000 0.000 -0.642) 0.642 5.282 ( 0.000 0.000 -2.657) 2.657 5.287 ( 0.000 0.000 -3.595) 3.595 5.296 ( 0.000 0.000 2.499) 2.499 5.369 ( 0.000 0.000 -2.736) 2.736 5.504 ( 0.000 0.000 -6.616) 6.616 5.523 ( 0.000 0.000 -8.117) 8.117 5.559 ( 0.000 0.000 1.573) 1.573 5.621 ( 0.000 0.000 -3.565) 3.565 5.988 ( 0.000 0.000 5.144) 5.144 6.016 ( 0.000 0.000 1.605) 1.605 6.057 ( 0.000 0.000 -2.107) 2.107 6.088 ( 0.000 0.000 -4.148) 4.148 6.171 ( 0.000 0.000 4.392) 4.392 6.230 ( 0.000 0.000 3.276) 3.276 6.265 ( 0.000 0.000 2.443) 2.443 6.286 ( 0.000 0.000 -5.441) 5.441 6.360 ( 0.000 0.000 9.396) 9.396 6.390 ( 0.000 0.000 3.051) 3.051 6.436 ( 0.000 0.000 2.702) 2.702 6.486 ( 0.000 0.000 -0.103) 0.103 6.508 ( 0.000 0.000 -3.814) 3.814 6.520 ( 0.000 0.000 -0.571) 0.571 6.528 ( 0.000 0.000 -6.856) 6.856 6.553 ( 0.000 0.000 -5.242) 5.242 6.620 ( 0.000 0.000 3.713) 3.713 6.626 ( 0.000 0.000 1.040) 1.040 6.687 ( 0.000 0.000 -2.783) 2.783 6.705 ( 0.000 0.000 -6.490) 6.490 6.865 ( 0.000 0.000 1.160) 1.160 6.904 ( 0.000 0.000 -1.980) 1.980 6.971 ( 0.000 0.000 3.113) 3.113 7.009 ( 0.000 0.000 0.278) 0.278 7.090 ( 0.000 0.000 4.371) 4.371 7.147 ( 0.000 0.000 0.658) 0.658 7.156 ( 0.000 0.000 -0.419) 0.419 7.183 ( 0.000 0.000 -4.075) 4.075 7.228 ( 0.000 0.000 3.418) 3.418 7.287 ( 0.000 0.000 -2.268) 2.268 7.348 ( 0.000 0.000 0.288) 0.288 7.350 ( 0.000 0.000 0.181) 0.181 7.451 ( 0.000 0.000 4.349) 4.349 7.454 ( 0.000 0.000 -0.129) 0.129 7.460 ( 0.000 0.000 0.034) 0.034 7.528 ( 0.000 0.000 -0.517) 0.517 7.529 ( 0.000 0.000 -1.303) 1.303 7.534 ( 0.000 0.000 -0.272) 0.272 7.668 ( 0.000 0.000 1.920) 1.920 7.729 ( 0.000 0.000 -6.060) 6.060 9.146 ( 0.000 0.000 5.046) 5.046 9.150 ( 0.000 0.000 6.728) 6.728 9.209 ( 0.000 0.000 -0.608) 0.608 9.286 ( 0.000 0.000 4.168) 4.168 9.287 ( 0.000 0.000 -2.501) 2.501 9.357 ( 0.000 0.000 -0.007) 0.007 9.379 ( 0.000 0.000 3.555) 3.555 9.428 ( 0.000 0.000 -4.995) 4.995 9.448 ( 0.000 0.000 -2.504) 2.504 9.461 ( 0.000 0.000 -7.551) 7.551 9.500 ( 0.000 0.000 -1.607) 1.607 9.540 ( 0.000 0.000 -4.559) 4.559 9.634 ( 0.000 0.000 1.684) 1.684 9.723 ( 0.000 0.000 -4.959) 4.959 9.750 ( 0.000 0.000 1.952) 1.952 9.787 ( 0.000 0.000 -1.394) 1.394 10.266 ( 0.000 0.000 1.401) 1.401 10.279 ( 0.000 0.000 0.211) 0.211 10.302 ( 0.000 0.000 1.449) 1.449 10.325 ( 0.000 0.000 -0.441) 0.441 10.341 ( 0.000 0.000 2.085) 2.085 10.378 ( 0.000 0.000 -1.160) 1.160 10.423 ( 0.000 0.000 3.246) 3.246 10.472 ( 0.000 0.000 -1.317) 1.317 11.170 ( 0.000 0.000 0.928) 0.928 11.192 ( 0.000 0.000 -0.965) 0.965 11.289 ( 0.000 0.000 0.670) 0.670 11.301 ( 0.000 0.000 1.341) 1.341 11.319 ( 0.000 0.000 3.469) 3.469 11.421 ( 0.000 0.000 -4.231) 4.231 11.539 ( 0.000 0.000 4.289) 4.289 11.558 ( 0.000 0.000 3.408) 3.408 11.580 ( 0.000 0.000 0.727) 0.727 11.580 ( 0.000 0.000 0.854) 0.854 11.631 ( 0.000 0.000 0.629) 0.629 11.659 ( 0.000 0.000 -1.653) 1.653 11.712 ( 0.000 0.000 -0.164) 0.164 11.719 ( 0.000 0.000 1.332) 1.332 11.727 ( 0.000 0.000 -0.995) 0.995 11.736 ( 0.000 0.000 -0.346) 0.346 11.801 ( 0.000 0.000 3.083) 3.083 11.826 ( 0.000 0.000 1.288) 1.288 11.880 ( 0.000 0.000 1.103) 1.103 11.885 ( 0.000 0.000 0.388) 0.388 11.898 ( 0.000 0.000 -1.637) 1.637 11.906 ( 0.000 0.000 -2.030) 2.030 11.982 ( 0.000 0.000 0.320) 0.320 12.005 ( 0.000 0.000 -2.156) 2.156 12.106 ( 0.000 0.000 0.252) 0.252 12.110 ( 0.000 0.000 0.987) 0.987 12.112 ( 0.000 0.000 -0.243) 0.243 12.131 ( 0.000 0.000 -0.726) 0.726 12.249 ( 0.000 0.000 1.142) 1.142 12.258 ( 0.000 0.000 0.456) 0.456 12.329 ( 0.000 0.000 0.220) 0.220 12.351 ( 0.000 0.000 -1.934) 1.934 12.428 ( 0.000 0.000 5.832) 5.832 12.440 ( 0.000 0.000 2.518) 2.518 12.453 ( 0.000 0.000 1.266) 1.266 12.575 ( 0.000 0.000 -6.718) 6.718 12.815 ( 0.000 0.000 5.416) 5.416 12.923 ( 0.000 0.000 -4.957) 4.957 13.093 ( 0.000 0.000 -0.164) 0.164 13.103 ( 0.000 0.000 -1.106) 1.106 16.163 ( 0.000 0.000 1.550) 1.550 16.185 ( 0.000 0.000 -0.431) 0.431 16.212 ( 0.000 0.000 0.569) 0.569 16.219 ( 0.000 0.000 -0.079) 0.079 16.277 ( 0.000 0.000 0.380) 0.380 16.284 ( 0.000 0.000 -0.325) 0.325 16.305 ( 0.000 0.000 0.646) 0.646 16.312 ( 0.000 0.000 0.054) 0.054 17.507 ( 0.000 0.000 2.485) 2.485 17.522 ( 0.000 0.000 0.859) 0.859 17.529 ( 0.000 0.000 0.513) 0.513 17.531 ( 0.000 0.000 2.956) 2.956 17.560 ( 0.000 0.000 1.673) 1.673 17.608 ( 0.000 0.000 1.584) 1.584 17.611 ( 0.000 0.000 -2.423) 2.423 17.627 ( 0.000 0.000 2.372) 2.372 17.726 ( 0.000 0.000 5.517) 5.517 17.738 ( 0.000 0.000 1.493) 1.493 17.742 ( 0.000 0.000 2.221) 2.221 17.831 ( 0.000 0.000 -3.672) 3.672 17.862 ( 0.000 0.000 3.143) 3.143 17.866 ( 0.000 0.000 5.660) 5.660 17.945 ( 0.000 0.000 -3.491) 3.491 18.043 ( 0.000 0.000 -9.422) 9.422 19.022 ( 0.000 0.000 27.180) 27.180 19.215 ( 0.000 0.000 6.575) 6.575 19.223 ( 0.000 0.000 8.189) 8.189 19.524 ( 0.000 0.000 -5.204) 5.204 19.608 ( 0.000 0.000 -11.958) 11.958 19.635 ( 0.000 0.000 -12.858) 12.858 19.694 ( 0.000 0.000 -17.339) 17.339 19.729 ( 0.000 0.000 -7.501) 7.501 ======================= Grid point 55 (22/30) ======================= q-point: ( 0.33 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.199 ( 10.424 0.000 21.811) 24.174 1.262 ( 5.360 0.000 23.624) 24.224 1.427 ( -8.621 0.000 17.729) 19.714 1.447 ( -11.344 0.000 11.786) 16.359 1.663 ( 2.323 0.000 -11.426) 11.660 1.666 ( 0.633 0.000 -3.716) 3.770 1.698 ( 2.515 0.000 -4.306) 4.987 1.737 ( -0.559 0.000 -13.823) 13.834 1.838 ( -0.353 0.000 3.098) 3.118 1.858 ( -1.058 0.000 -2.540) 2.751 1.968 ( -0.774 0.000 -2.534) 2.650 1.978 ( 0.771 0.000 -2.209) 2.339 2.071 ( -1.454 0.000 2.131) 2.579 2.096 ( -0.724 0.000 8.553) 8.583 2.198 ( -4.290 0.000 5.360) 6.866 2.199 ( -1.394 0.000 3.943) 4.182 2.258 ( 2.749 0.000 0.080) 2.751 2.304 ( -2.685 0.000 -1.876) 3.276 2.397 ( 0.137 0.000 -4.816) 4.818 2.424 ( 1.825 0.000 -0.073) 1.826 2.533 ( 3.210 0.000 2.244) 3.916 2.548 ( 6.143 0.000 5.673) 8.362 2.621 ( 4.099 0.000 -0.308) 4.111 2.656 ( 3.557 0.000 2.849) 4.557 2.724 ( 2.046 0.000 0.867) 2.222 2.758 ( -1.201 0.000 -1.469) 1.897 2.791 ( 1.506 0.000 0.428) 1.566 2.831 ( 1.928 0.000 -2.749) 3.357 2.898 ( 1.669 0.000 1.564) 2.288 2.920 ( -1.525 0.000 -0.433) 1.585 2.955 ( -1.369 0.000 -3.433) 3.696 3.014 ( -6.174 0.000 -2.314) 6.593 3.079 ( -3.593 0.000 2.959) 4.655 3.134 ( -8.245 0.000 10.000) 12.961 3.249 ( 0.668 0.000 0.400) 0.778 3.301 ( -3.840 0.000 -2.151) 4.401 3.339 ( 2.780 0.000 -1.742) 3.280 3.356 ( -1.038 0.000 0.622) 1.210 3.481 ( -0.359 0.000 -13.632) 13.636 3.529 ( -1.220 0.000 -3.322) 3.539 3.589 ( 1.566 0.000 -1.882) 2.449 3.622 ( -1.093 0.000 1.991) 2.272 3.682 ( -0.089 0.000 -6.341) 6.341 3.694 ( -0.171 0.000 -0.207) 0.269 3.723 ( 0.847 0.000 4.532) 4.610 3.740 ( 0.070 0.000 2.656) 2.657 3.790 ( 1.111 0.000 -2.490) 2.727 3.805 ( 0.302 0.000 -3.643) 3.656 3.905 ( 6.043 0.000 -1.983) 6.360 3.967 ( 0.987 0.000 -0.198) 1.006 3.984 ( 4.134 0.000 -7.269) 8.362 4.020 ( -0.266 0.000 -4.975) 4.982 4.153 ( 8.965 0.000 6.721) 11.205 4.190 ( 1.964 0.000 8.047) 8.284 4.247 ( 2.077 0.000 0.808) 2.229 4.373 ( -0.774 0.000 -4.697) 4.761 4.426 ( 1.161 0.000 -3.726) 3.903 4.448 ( -3.101 0.000 -2.041) 3.712 4.462 ( -5.549 0.000 1.677) 5.797 4.542 ( 5.353 0.000 3.278) 6.277 4.546 ( -4.114 0.000 -3.037) 5.114 4.605 ( 2.343 0.000 -1.729) 2.912 4.640 ( -1.436 0.000 1.326) 1.955 4.714 ( -9.768 0.000 -6.694) 11.841 4.912 ( -0.023 0.000 5.424) 5.424 4.952 ( -0.982 0.000 0.461) 1.085 4.993 ( 1.936 0.000 -2.676) 3.303 5.045 ( -3.473 0.000 -4.138) 5.402 5.143 ( 0.906 0.000 2.246) 2.422 5.163 ( 0.171 0.000 1.670) 1.679 5.208 ( -0.833 0.000 -2.927) 3.043 5.227 ( -2.819 0.000 -3.176) 4.247 5.308 ( 3.711 0.000 1.999) 4.215 5.318 ( 1.541 0.000 3.028) 3.398 5.376 ( 7.050 0.000 3.598) 7.915 5.404 ( 2.500 0.000 -1.611) 2.974 5.453 ( -2.389 0.000 -5.325) 5.836 5.507 ( -5.314 0.000 0.750) 5.367 5.582 ( 2.959 0.000 -9.987) 10.416 5.614 ( -0.802 0.000 -6.364) 6.414 5.992 ( 0.403 0.000 4.582) 4.600 6.004 ( -0.902 0.000 2.864) 3.002 6.065 ( 0.666 0.000 -2.722) 2.803 6.078 ( -0.800 0.000 -3.325) 3.420 6.183 ( 1.239 0.000 4.588) 4.752 6.212 ( -1.610 0.000 4.704) 4.972 6.284 ( 1.463 0.000 1.436) 2.050 6.295 ( 0.493 0.000 -3.360) 3.396 6.362 ( 0.498 0.000 6.520) 6.539 6.382 ( -1.071 0.000 2.219) 2.464 6.451 ( 0.832 0.000 1.373) 1.605 6.464 ( -1.830 0.000 -1.121) 2.146 6.471 ( -0.701 0.000 -2.907) 2.990 6.498 ( -1.558 0.000 0.019) 1.559 6.554 ( 1.011 0.000 -4.516) 4.628 6.566 ( 0.058 0.000 -3.040) 3.040 6.615 ( 0.013 0.000 1.525) 1.525 6.619 ( -0.296 0.000 -0.363) 0.469 6.665 ( -1.487 0.000 -3.274) 3.596 6.666 ( -2.245 0.000 -5.104) 5.576 6.908 ( 4.006 0.000 2.386) 4.663 6.963 ( 4.422 0.000 -1.956) 4.836 6.964 ( -1.386 0.000 3.125) 3.418 7.016 ( -0.813 0.000 -0.858) 1.182 7.100 ( 1.047 0.000 3.447) 3.602 7.125 ( -1.620 0.000 1.870) 2.474 7.175 ( 1.380 0.000 -0.958) 1.680 7.185 ( 0.225 0.000 -3.911) 3.917 7.247 ( 1.974 0.000 4.052) 4.507 7.301 ( -3.725 0.000 1.376) 3.971 7.318 ( 2.711 0.000 -1.662) 3.180 7.357 ( -0.841 0.000 -1.189) 1.456 7.426 ( 1.295 0.000 0.542) 1.404 7.436 ( -0.850 0.000 2.118) 2.282 7.462 ( -1.684 0.000 -2.210) 2.778 7.500 ( -3.455 0.000 -1.257) 3.676 7.563 ( 4.444 0.000 1.355) 4.645 7.588 ( 4.393 0.000 -0.902) 4.485 7.638 ( -3.200 0.000 1.583) 3.570 7.677 ( -4.810 0.000 -3.075) 5.709 9.151 ( 0.211 0.000 6.760) 6.763 9.155 ( 0.185 0.000 6.099) 6.102 9.213 ( 1.467 0.000 1.563) 2.144 9.260 ( -2.683 0.000 0.286) 2.698 9.318 ( 3.214 0.000 -1.001) 3.367 9.364 ( -1.181 0.000 -1.272) 1.736 9.385 ( 1.242 0.000 -3.074) 3.315 9.414 ( -2.412 0.000 -6.059) 6.522 9.428 ( 0.897 0.000 -0.325) 0.954 9.462 ( -1.919 0.000 2.277) 2.978 9.514 ( 3.242 0.000 -4.920) 5.892 9.553 ( -0.439 0.000 -4.650) 4.670 9.646 ( 1.582 0.000 1.849) 2.433 9.703 ( -4.148 0.000 1.838) 4.537 9.724 ( 0.302 0.000 -4.344) 4.354 9.748 ( -2.592 0.000 -2.220) 3.413 10.278 ( 1.014 0.000 1.085) 1.485 10.284 ( 0.616 0.000 0.485) 0.784 10.291 ( -0.709 0.000 1.181) 1.377 10.306 ( -1.456 0.000 -0.052) 1.457 10.366 ( 2.234 0.000 2.566) 3.403 10.406 ( -1.812 0.000 2.863) 3.388 10.409 ( 2.456 0.000 -1.313) 2.785 10.451 ( -1.978 0.000 -1.213) 2.321 11.182 ( 1.434 0.000 0.752) 1.619 11.198 ( 0.932 0.000 -0.744) 1.193 11.230 ( -3.817 0.000 0.632) 3.869 11.238 ( -3.789 0.000 -0.096) 3.791 11.361 ( 3.859 0.000 4.848) 6.196 11.449 ( 3.237 0.000 -3.192) 4.547 11.451 ( -5.641 0.000 5.235) 7.696 11.527 ( -4.587 0.000 -1.905) 4.967 11.619 ( 2.375 0.000 1.492) 2.805 11.642 ( 0.121 0.000 1.936) 1.940 11.650 ( 3.053 0.000 -1.002) 3.213 11.671 ( 0.397 0.000 -0.145) 0.423 11.708 ( 0.425 0.000 1.736) 1.787 11.727 ( -0.136 0.000 3.029) 3.032 11.756 ( 2.022 0.000 -1.683) 2.631 11.759 ( 1.565 0.000 -0.344) 1.602 11.806 ( 1.928 0.000 2.574) 3.216 11.851 ( -2.304 0.000 1.979) 3.037 11.860 ( 1.870 0.000 -1.609) 2.467 11.886 ( -0.968 0.000 -0.860) 1.295 11.919 ( 3.223 0.000 0.727) 3.304 11.950 ( 4.040 0.000 -1.815) 4.429 11.971 ( -1.287 0.000 1.377) 1.885 12.013 ( -1.234 0.000 -2.291) 2.603 12.106 ( -0.001 0.000 0.509) 0.509 12.110 ( -0.297 0.000 0.395) 0.494 12.116 ( -0.100 0.000 -0.147) 0.178 12.120 ( 0.465 0.000 -0.734) 0.869 12.245 ( 0.705 0.000 1.836) 1.966 12.286 ( 1.787 0.000 -1.268) 2.191 12.286 ( -3.535 0.000 1.039) 3.684 12.323 ( -2.202 0.000 -1.777) 2.830 12.426 ( -0.652 0.000 3.467) 3.528 12.426 ( -0.430 0.000 4.493) 4.513 12.478 ( 2.252 0.000 -0.477) 2.301 12.531 ( -3.386 0.000 -3.557) 4.911 12.901 ( 7.402 0.000 2.849) 7.931 12.976 ( 5.014 0.000 -4.024) 6.429 13.031 ( -5.950 0.000 0.959) 6.027 13.068 ( -4.023 0.000 -2.352) 4.660 16.167 ( 0.575 0.000 1.444) 1.554 16.188 ( -1.696 0.000 1.054) 1.997 16.189 ( 0.502 0.000 -0.584) 0.770 16.205 ( -1.183 0.000 -0.516) 1.291 16.290 ( 0.958 0.000 0.639) 1.151 16.298 ( 0.908 0.000 -0.047) 0.909 16.302 ( -0.359 0.000 0.819) 0.895 16.310 ( -0.346 0.000 0.021) 0.347 17.502 ( -0.001 0.000 3.410) 3.410 17.510 ( -0.607 0.000 3.343) 3.398 17.535 ( 0.020 0.000 2.507) 2.507 17.539 ( 0.228 0.000 3.009) 3.018 17.574 ( -1.199 0.000 0.388) 1.260 17.577 ( 0.630 0.000 -2.383) 2.465 17.599 ( 0.228 0.000 -2.001) 2.014 17.633 ( -1.524 0.000 -2.010) 2.522 17.724 ( 1.348 0.000 6.759) 6.892 17.739 ( 0.544 0.000 6.209) 6.232 17.776 ( 1.143 0.000 1.749) 2.089 17.804 ( -2.124 0.000 1.484) 2.591 17.887 ( 1.474 0.000 0.542) 1.570 17.896 ( 1.527 0.000 -0.244) 1.546 17.954 ( 2.111 0.000 -4.121) 4.630 18.014 ( -3.000 0.000 -7.871) 8.423 19.040 ( 2.147 0.000 24.449) 24.543 19.105 ( -5.032 0.000 16.512) 17.262 19.355 ( 7.429 0.000 1.142) 7.516 19.475 ( -5.103 0.000 -2.655) 5.752 19.614 ( 0.659 0.000 -12.133) 12.151 19.628 ( -0.705 0.000 -13.116) 13.135 19.698 ( 0.487 0.000 -15.861) 15.868 19.714 ( -1.221 0.000 -10.841) 10.909 ======================= Grid point 57 (23/30) ======================= q-point: ( 0.00 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.184 ( 0.000 8.588 23.417) 24.942 1.451 ( 0.000 17.020 18.443) 25.096 1.613 ( 0.000 0.968 7.615) 7.676 1.642 ( 0.000 5.652 4.122) 6.995 1.709 ( 0.000 5.421 -16.065) 16.955 1.717 ( 0.000 5.935 8.580) 10.433 1.823 ( 0.000 8.635 -2.763) 9.066 1.875 ( 0.000 6.807 -9.848) 11.971 1.893 ( 0.000 -0.794 2.392) 2.520 1.895 ( 0.000 1.851 4.033) 4.437 1.989 ( 0.000 12.817 -7.458) 14.829 2.063 ( 0.000 6.013 -1.654) 6.236 2.131 ( 0.000 4.990 7.218) 8.775 2.143 ( 0.000 -1.544 4.682) 4.930 2.237 ( 0.000 4.785 2.949) 5.621 2.262 ( 0.000 6.981 4.311) 8.205 2.330 ( 0.000 0.280 -6.476) 6.482 2.357 ( 0.000 2.154 1.675) 2.729 2.422 ( 0.000 5.643 2.379) 6.124 2.458 ( 0.000 3.623 0.836) 3.718 2.534 ( 0.000 5.330 -1.240) 5.473 2.560 ( 0.000 4.771 -5.044) 6.943 2.589 ( 0.000 7.091 -6.002) 9.290 2.651 ( 0.000 4.346 0.099) 4.347 2.761 ( 0.000 5.275 5.110) 7.344 2.764 ( 0.000 8.655 2.357) 8.970 2.865 ( 0.000 4.474 0.914) 4.567 2.882 ( 0.000 5.242 0.305) 5.251 2.977 ( 0.000 4.739 -2.491) 5.354 2.981 ( 0.000 6.343 1.076) 6.434 3.065 ( 0.000 6.829 -2.534) 7.284 3.097 ( 0.000 4.744 -1.195) 4.892 3.161 ( 0.000 0.184 2.529) 2.536 3.195 ( 0.000 0.918 2.203) 2.387 3.250 ( 0.000 0.587 3.825) 3.870 3.378 ( 0.000 8.033 -2.959) 8.560 3.403 ( 0.000 1.615 -1.851) 2.457 3.453 ( 0.000 -1.727 0.629) 1.838 3.471 ( 0.000 -3.166 2.715) 4.170 3.502 ( 0.000 3.213 0.402) 3.238 3.575 ( 0.000 3.518 -1.728) 3.920 3.595 ( 0.000 -1.240 2.940) 3.191 3.667 ( 0.000 3.724 -6.168) 7.205 3.714 ( 0.000 0.516 -5.322) 5.347 3.733 ( 0.000 2.552 3.023) 3.956 3.789 ( 0.000 3.897 0.148) 3.900 3.816 ( 0.000 6.528 3.264) 7.299 3.872 ( 0.000 1.534 -2.272) 2.741 3.902 ( 0.000 1.001 -8.272) 8.333 3.906 ( 0.000 5.229 -4.660) 7.004 4.036 ( 0.000 5.769 -0.418) 5.784 4.061 ( 0.000 1.873 -1.639) 2.489 4.089 ( 0.000 2.304 0.068) 2.305 4.186 ( 0.000 -2.526 -7.022) 7.462 4.197 ( 0.000 2.198 5.475) 5.900 4.312 ( 0.000 -0.430 -5.731) 5.747 4.379 ( 0.000 -6.494 0.710) 6.533 4.385 ( 0.000 -4.830 0.431) 4.849 4.448 ( 0.000 -2.937 2.429) 3.811 4.473 ( 0.000 -3.120 1.376) 3.410 4.655 ( 0.000 3.287 3.019) 4.463 4.701 ( 0.000 2.448 -1.897) 3.097 4.726 ( 0.000 3.136 0.176) 3.141 4.770 ( 0.000 2.185 -1.761) 2.807 4.888 ( 0.000 -3.730 -1.690) 4.095 4.894 ( 0.000 -3.251 -1.594) 3.621 5.007 ( 0.000 -3.435 3.881) 5.183 5.047 ( 0.000 -2.299 3.987) 4.602 5.120 ( 0.000 -4.690 -3.491) 5.847 5.154 ( 0.000 -3.409 -2.064) 3.985 5.196 ( 0.000 1.667 1.608) 2.316 5.205 ( 0.000 0.272 0.420) 0.500 5.265 ( 0.000 -1.120 -0.778) 1.363 5.282 ( 0.000 -2.271 -2.913) 3.693 5.324 ( 0.000 1.585 1.690) 2.317 5.364 ( 0.000 -3.104 -2.089) 3.742 5.391 ( 0.000 -2.571 -2.591) 3.650 5.416 ( 0.000 -3.528 -5.261) 6.334 5.632 ( 0.000 2.630 -0.752) 2.735 5.677 ( 0.000 1.929 -3.908) 4.358 5.934 ( 0.000 -3.648 4.068) 5.464 6.002 ( 0.000 -3.157 -2.760) 4.193 6.012 ( 0.000 -0.084 1.830) 1.832 6.070 ( 0.000 -3.114 -3.401) 4.611 6.154 ( 0.000 -1.473 4.873) 5.091 6.210 ( 0.000 -1.620 2.940) 3.357 6.262 ( 0.000 -2.109 -0.093) 2.111 6.273 ( 0.000 -2.234 -4.455) 4.984 6.298 ( 0.000 -2.489 5.577) 6.107 6.357 ( 0.000 -2.711 -0.438) 2.746 6.391 ( 0.000 -0.562 5.988) 6.014 6.432 ( 0.000 -3.501 1.049) 3.655 6.460 ( 0.000 -1.727 0.219) 1.741 6.485 ( 0.000 -2.124 -3.194) 3.836 6.541 ( 0.000 1.073 -1.388) 1.755 6.610 ( 0.000 0.089 -6.216) 6.216 6.641 ( 0.000 4.095 0.132) 4.097 6.650 ( 0.000 2.270 -1.478) 2.709 6.706 ( 0.000 1.894 2.165) 2.877 6.778 ( 0.000 1.722 -4.167) 4.509 6.856 ( 0.000 -1.509 1.411) 2.065 6.879 ( 0.000 -3.349 0.455) 3.380 6.971 ( 0.000 2.231 0.434) 2.273 6.988 ( 0.000 -0.157 -0.076) 0.174 7.100 ( 0.000 -1.315 2.845) 3.134 7.127 ( 0.000 -1.120 -0.491) 1.223 7.172 ( 0.000 1.736 1.315) 2.177 7.238 ( 0.000 1.925 -4.259) 4.674 7.250 ( 0.000 -0.380 4.656) 4.671 7.357 ( 0.000 0.314 -3.754) 3.768 7.373 ( 0.000 0.692 0.518) 0.864 7.391 ( 0.000 -2.014 -0.865) 2.192 7.447 ( 0.000 6.177 0.906) 6.243 7.457 ( 0.000 3.868 0.408) 3.889 7.502 ( 0.000 2.284 1.177) 2.569 7.510 ( 0.000 0.504 1.160) 1.264 7.549 ( 0.000 3.235 0.553) 3.282 7.583 ( 0.000 5.069 -2.636) 5.714 7.680 ( 0.000 2.393 2.497) 3.458 7.772 ( 0.000 3.448 -7.187) 7.971 9.088 ( 0.000 -2.724 4.671) 5.407 9.182 ( 0.000 -2.319 -1.826) 2.952 9.197 ( 0.000 1.123 4.260) 4.405 9.259 ( 0.000 -2.980 -3.047) 4.262 9.282 ( 0.000 0.681 3.920) 3.979 9.346 ( 0.000 -0.372 -1.051) 1.115 9.367 ( 0.000 -1.403 -1.316) 1.924 9.416 ( 0.000 -0.786 -6.522) 6.569 9.488 ( 0.000 3.565 2.101) 4.138 9.492 ( 0.000 3.979 -1.358) 4.205 9.532 ( 0.000 2.763 0.615) 2.831 9.601 ( 0.000 3.999 -4.455) 5.987 9.694 ( 0.000 4.716 2.229) 5.217 9.747 ( 0.000 0.184 1.178) 1.192 9.774 ( 0.000 0.399 -2.099) 2.137 9.779 ( 0.000 2.816 -3.641) 4.603 10.183 ( 0.000 -6.179 1.414) 6.339 10.199 ( 0.000 -6.356 -0.028) 6.356 10.244 ( 0.000 -5.633 0.733) 5.681 10.254 ( 0.000 -6.289 -0.134) 6.290 10.292 ( 0.000 -4.723 0.698) 4.774 10.306 ( 0.000 -6.092 -0.564) 6.118 10.357 ( 0.000 -5.830 3.173) 6.637 10.403 ( 0.000 -6.005 -1.109) 6.106 11.197 ( 0.000 3.166 1.327) 3.432 11.225 ( 0.000 3.464 -1.100) 3.634 11.333 ( 0.000 2.000 5.159) 5.533 11.346 ( 0.000 4.737 0.721) 4.792 11.359 ( 0.000 3.491 0.722) 3.565 11.440 ( 0.000 0.658 -2.583) 2.665 11.487 ( 0.000 -2.913 1.973) 3.518 11.499 ( 0.000 -1.014 0.138) 1.024 11.568 ( 0.000 -2.309 0.537) 2.370 11.571 ( 0.000 -2.336 1.294) 2.671 11.600 ( 0.000 -4.342 1.927) 4.751 11.625 ( 0.000 -3.863 -0.083) 3.864 11.678 ( 0.000 -1.381 0.892) 1.644 11.700 ( 0.000 -2.279 -0.765) 2.404 11.745 ( 0.000 2.135 1.571) 2.651 11.768 ( 0.000 3.785 -0.258) 3.794 11.794 ( 0.000 1.859 0.998) 2.110 11.802 ( 0.000 -0.145 0.227) 0.269 11.907 ( 0.000 0.418 0.138) 0.440 11.920 ( 0.000 1.659 -0.618) 1.771 11.950 ( 0.000 4.516 1.455) 4.745 12.008 ( 0.000 6.001 -2.675) 6.570 12.053 ( 0.000 4.296 0.831) 4.375 12.081 ( 0.000 6.284 -0.956) 6.356 12.153 ( 0.000 3.999 0.366) 4.016 12.163 ( 0.000 5.001 -0.462) 5.022 12.200 ( 0.000 5.992 0.144) 5.994 12.203 ( 0.000 2.488 0.539) 2.546 12.283 ( 0.000 3.045 3.097) 4.343 12.313 ( 0.000 4.649 0.427) 4.669 12.346 ( 0.000 2.755 -0.512) 2.802 12.354 ( 0.000 1.251 -1.388) 1.869 12.421 ( 0.000 1.913 2.123) 2.858 12.436 ( 0.000 1.203 1.249) 1.734 12.464 ( 0.000 1.626 2.793) 3.232 12.553 ( 0.000 -1.546 -4.471) 4.731 12.789 ( 0.000 -1.810 4.087) 4.469 12.877 ( 0.000 -2.808 -4.752) 5.519 13.061 ( 0.000 -2.566 0.092) 2.567 13.081 ( 0.000 -1.882 -1.720) 2.550 16.155 ( 0.000 -0.787 1.598) 1.781 16.174 ( 0.000 -1.262 0.181) 1.275 16.191 ( 0.000 -1.670 0.217) 1.684 16.199 ( 0.000 -1.833 -0.307) 1.859 16.251 ( 0.000 -2.443 0.322) 2.464 16.256 ( 0.000 -1.775 -0.050) 1.776 16.291 ( 0.000 -1.584 0.471) 1.653 16.293 ( 0.000 -1.693 0.172) 1.702 17.458 ( 0.000 -3.503 3.471) 4.931 17.480 ( 0.000 -3.520 2.601) 4.376 17.544 ( 0.000 -0.997 3.145) 3.299 17.579 ( 0.000 -3.126 2.148) 3.793 17.625 ( 0.000 3.078 -0.008) 3.078 17.645 ( 0.000 3.906 -0.715) 3.971 17.657 ( 0.000 6.959 1.032) 7.035 17.672 ( 0.000 4.190 1.266) 4.377 17.745 ( 0.000 1.428 1.635) 2.171 17.752 ( 0.000 4.176 3.273) 5.306 17.787 ( 0.000 2.821 1.269) 3.093 17.889 ( 0.000 5.828 3.101) 6.602 17.890 ( 0.000 3.451 -5.490) 6.485 17.967 ( 0.000 6.288 4.465) 7.713 17.998 ( 0.000 5.393 -6.073) 8.122 18.088 ( 0.000 4.767 -5.968) 7.638 18.931 ( 0.000 -8.446 25.368) 26.737 19.149 ( 0.000 -5.615 8.012) 9.784 19.160 ( 0.000 -5.640 10.499) 11.918 19.435 ( 0.000 -8.191 -9.554) 12.585 19.498 ( 0.000 -8.990 -12.685) 15.548 19.499 ( 0.000 -11.224 -6.499) 12.970 19.581 ( 0.000 -9.718 -17.134) 19.698 19.645 ( 0.000 -5.944 -8.923) 10.722 ======================= Grid point 58 (24/30) ======================= q-point: ( 0.33 0.11 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.277 ( 9.042 7.081 19.596) 22.713 1.477 ( -4.909 9.921 14.608) 18.328 1.506 ( -0.292 11.007 14.719) 18.381 1.627 ( -5.863 11.254 9.264) 15.711 1.691 ( -0.452 3.748 0.287) 3.786 1.745 ( -2.362 5.305 -3.735) 6.905 1.767 ( 3.078 3.647 -7.548) 8.930 1.845 ( -1.173 1.820 -2.345) 3.192 1.924 ( 2.232 6.324 -4.702) 8.191 1.953 ( 4.085 1.909 -5.751) 7.308 2.005 ( -0.074 8.674 -1.406) 8.788 2.046 ( -2.506 5.675 2.474) 6.679 2.089 ( -3.530 6.516 -4.357) 8.597 2.152 ( -1.587 3.934 0.878) 4.332 2.183 ( -0.894 1.922 9.668) 9.898 2.244 ( 1.713 1.986 -3.722) 4.553 2.281 ( -2.196 3.369 -2.731) 4.861 2.352 ( -3.027 5.091 6.572) 8.847 2.447 ( 0.673 3.530 -5.972) 6.970 2.502 ( 1.165 6.696 -0.227) 6.801 2.581 ( 5.091 2.838 4.564) 7.403 2.608 ( 4.980 6.280 2.917) 8.529 2.677 ( 3.885 4.873 -1.599) 6.434 2.698 ( 6.490 3.580 -2.310) 7.764 2.774 ( -0.126 6.366 4.121) 7.585 2.822 ( -0.011 3.144 0.407) 3.171 2.829 ( 0.269 5.440 0.493) 5.469 2.882 ( -0.060 6.297 0.684) 6.335 2.911 ( -1.128 3.404 -1.167) 3.771 2.958 ( -5.556 3.663 -2.112) 6.982 3.005 ( -3.877 5.359 2.781) 7.176 3.086 ( -1.830 6.353 -2.647) 7.121 3.126 ( -1.242 4.551 4.015) 6.195 3.207 ( -1.023 5.447 3.300) 6.450 3.235 ( -0.507 1.367 2.509) 2.902 3.299 ( -5.803 0.485 2.591) 6.373 3.369 ( -0.176 1.688 1.773) 2.454 3.412 ( -1.218 3.952 -3.337) 5.314 3.490 ( 1.902 -1.547 -4.444) 5.075 3.538 ( -0.115 3.752 -3.063) 4.845 3.578 ( 0.736 2.470 -1.543) 3.004 3.619 ( 1.624 1.131 -4.367) 4.795 3.661 ( 1.273 1.575 -4.215) 4.676 3.698 ( -1.674 2.297 -4.933) 5.693 3.786 ( 1.718 4.953 0.673) 5.286 3.819 ( 0.286 2.833 -1.690) 3.311 3.830 ( -0.233 2.477 2.269) 3.367 3.901 ( 2.372 1.927 -1.030) 3.225 3.936 ( 4.779 3.044 -0.616) 5.699 3.975 ( 3.715 1.977 -4.257) 5.986 4.018 ( -1.474 3.880 -1.408) 4.383 4.054 ( -0.731 2.802 -4.690) 5.512 4.130 ( 5.112 -1.084 3.252) 6.155 4.186 ( -0.013 -1.942 4.658) 5.047 4.231 ( 2.789 -1.553 0.930) 3.325 4.312 ( -4.179 -5.073 -0.743) 6.615 4.344 ( -0.375 -3.890 0.199) 3.913 4.414 ( 3.870 -1.386 -4.658) 6.213 4.439 ( -1.425 -1.890 0.134) 2.371 4.500 ( 2.701 -1.318 -0.847) 3.123 4.601 ( -2.160 2.470 1.562) 3.634 4.654 ( -3.216 3.145 -3.037) 5.428 4.690 ( -5.680 -0.009 0.597) 5.712 4.735 ( -5.142 3.245 -2.866) 6.722 4.867 ( 2.746 -2.979 2.874) 4.967 4.950 ( 3.269 -2.031 -2.292) 4.479 4.979 ( -0.388 -0.949 1.168) 1.554 5.054 ( -4.146 -1.532 -2.213) 4.944 5.109 ( 1.044 -2.510 0.655) 2.797 5.141 ( 1.639 -3.473 0.501) 3.873 5.190 ( 1.163 -0.107 -0.442) 1.248 5.209 ( -2.926 -1.682 -3.557) 4.904 5.245 ( -1.575 -1.174 1.048) 2.226 5.275 ( 0.047 -3.367 1.072) 3.534 5.320 ( 0.728 -6.300 -1.892) 6.618 5.352 ( -1.914 -4.126 -2.376) 5.132 5.458 ( 6.114 2.334 0.542) 6.567 5.511 ( 5.300 1.302 -0.799) 5.516 5.607 ( -1.906 3.087 -3.299) 4.904 5.655 ( -2.399 -0.311 -4.651) 5.243 5.935 ( -0.029 -3.122 3.222) 4.486 6.002 ( 0.088 -3.323 -2.764) 4.323 6.017 ( 0.281 0.111 1.343) 1.377 6.065 ( -0.357 -2.901 -2.988) 4.180 6.158 ( 0.489 -1.696 5.021) 5.323 6.198 ( -0.962 -1.139 4.404) 4.649 6.254 ( -0.586 -3.285 -2.116) 3.951 6.276 ( 0.226 -0.433 0.929) 1.050 6.319 ( 1.763 -4.185 2.766) 5.317 6.351 ( -0.844 -1.989 1.478) 2.618 6.390 ( -0.406 -4.219 -0.866) 4.326 6.423 ( -0.435 -1.081 0.266) 1.195 6.465 ( -0.386 -0.747 0.360) 0.914 6.472 ( 0.195 -0.399 1.414) 1.482 6.533 ( 0.117 1.711 -2.354) 2.912 6.601 ( -0.831 0.073 -5.673) 5.734 6.641 ( -0.045 2.140 0.237) 2.154 6.667 ( 1.299 1.651 -0.017) 2.101 6.696 ( -0.976 2.603 -0.736) 2.876 6.731 ( -3.626 2.092 -2.750) 5.008 6.877 ( 2.252 -1.983 2.829) 4.124 6.918 ( 3.733 -2.016 0.727) 4.304 6.976 ( -0.796 -0.169 0.163) 0.830 7.001 ( 0.520 -0.724 -0.856) 1.236 7.117 ( 0.946 0.157 1.430) 1.722 7.136 ( 0.908 -1.115 0.919) 1.707 7.156 ( -1.186 0.737 0.491) 1.480 7.212 ( -1.606 0.316 -2.069) 2.638 7.257 ( 0.128 0.346 2.816) 2.840 7.358 ( 0.683 -1.508 -1.637) 2.329 7.375 ( -0.481 0.474 -1.416) 1.569 7.399 ( 0.287 1.781 -1.736) 2.504 7.439 ( 0.260 4.063 1.872) 4.481 7.465 ( 0.802 4.375 0.120) 4.449 7.480 ( -1.049 2.514 -0.007) 2.724 7.506 ( -1.484 3.447 -0.680) 3.815 7.576 ( 1.966 2.436 1.219) 3.359 7.605 ( 2.210 3.335 -1.448) 4.254 7.655 ( -2.278 2.675 2.512) 4.319 7.738 ( -2.544 4.564 -5.754) 7.773 9.088 ( -0.031 -3.037 5.002) 5.852 9.184 ( 0.624 -1.352 1.900) 2.414 9.209 ( 0.286 -0.537 0.085) 0.614 9.233 ( -1.087 -1.135 -0.473) 1.641 9.330 ( 3.048 0.929 -0.581) 3.239 9.371 ( 1.759 0.407 0.077) 1.807 9.382 ( 1.517 -0.688 -1.576) 2.293 9.418 ( -1.241 1.025 -4.554) 4.830 9.453 ( -0.001 2.275 1.257) 2.599 9.488 ( -2.515 1.510 1.619) 3.350 9.528 ( 0.722 2.053 -2.292) 3.161 9.574 ( -2.768 1.466 -3.711) 4.857 9.698 ( -1.319 3.195 1.353) 3.712 9.712 ( -0.491 2.342 1.978) 3.104 9.755 ( -1.289 1.799 -2.641) 3.446 9.782 ( 0.128 4.013 -3.648) 5.425 10.195 ( 1.020 -6.420 1.144) 6.600 10.202 ( 0.234 -6.346 0.377) 6.362 10.223 ( -1.369 -6.166 1.067) 6.406 10.243 ( -0.561 -5.316 -0.732) 5.395 10.309 ( 1.485 -5.775 1.781) 6.223 10.337 ( 1.456 -5.876 0.339) 6.063 10.348 ( -0.364 -5.665 1.541) 5.882 10.389 ( -1.354 -5.576 -1.128) 5.848 11.216 ( 2.188 3.547 1.076) 4.304 11.236 ( 1.436 3.793 -0.657) 4.108 11.279 ( -4.189 3.976 0.896) 5.844 11.286 ( -4.000 4.293 0.284) 5.875 11.376 ( 2.679 0.963 4.684) 5.481 11.438 ( -1.793 0.141 3.668) 4.086 11.474 ( -0.076 0.282 -1.898) 1.920 11.521 ( -0.862 -0.575 -1.597) 1.903 11.576 ( 1.776 -4.384 2.910) 5.554 11.613 ( 2.460 -4.919 0.523) 5.525 11.634 ( 1.033 -3.364 0.315) 3.533 11.657 ( 1.868 -1.056 -0.358) 2.175 11.670 ( 0.578 -2.394 1.325) 2.797 11.702 ( 1.067 -0.775 -1.334) 1.876 11.733 ( -0.941 2.639 0.720) 2.892 11.746 ( -1.802 2.384 -0.668) 3.062 11.821 ( 1.744 1.323 1.541) 2.677 11.827 ( 1.749 1.023 1.329) 2.423 11.875 ( -1.311 0.113 0.086) 1.318 11.893 ( -2.245 1.139 -1.474) 2.917 12.003 ( 3.898 3.092 1.683) 5.252 12.033 ( 1.018 5.679 -1.266) 5.907 12.057 ( 0.445 5.282 1.604) 5.538 12.088 ( -0.145 5.259 -1.051) 5.365 12.149 ( -0.385 3.343 1.048) 3.525 12.167 ( -0.101 3.334 0.111) 3.338 12.182 ( -0.298 3.846 -0.723) 3.925 12.203 ( -0.460 5.283 -0.942) 5.386 12.273 ( -0.493 1.107 2.077) 2.405 12.299 ( -2.000 2.809 1.075) 3.612 12.326 ( -0.421 3.564 -1.750) 3.993 12.339 ( -1.063 4.314 -1.739) 4.771 12.417 ( 0.600 1.192 4.024) 4.240 12.439 ( -0.832 1.735 4.188) 4.609 12.484 ( 1.848 1.688 -0.962) 2.682 12.531 ( -1.820 0.737 -2.924) 3.521 12.850 ( 4.648 -4.084 2.081) 6.528 12.915 ( 3.171 -3.284 -4.084) 6.125 13.010 ( -4.314 -1.903 1.620) 4.986 13.064 ( -1.637 -0.790 -3.071) 3.569 16.156 ( 0.151 -1.099 1.560) 1.914 16.171 ( -0.461 -1.388 1.002) 1.773 16.183 ( -0.178 -0.806 -0.530) 0.981 16.190 ( -0.696 -1.356 -0.560) 1.624 16.255 ( 0.267 -2.665 0.741) 2.779 16.266 ( 0.680 -2.197 -0.236) 2.312 16.289 ( -0.103 -1.630 0.677) 1.768 16.294 ( -0.023 -1.604 0.160) 1.612 17.463 ( 0.475 -3.315 4.772) 5.830 17.491 ( -0.118 -3.404 5.390) 6.376 17.542 ( 1.061 -1.627 -1.368) 2.375 17.559 ( -0.750 -2.087 -0.014) 2.218 17.600 ( -1.444 2.689 1.441) 3.375 17.632 ( -1.804 5.393 2.136) 6.075 17.646 ( -0.741 4.480 -1.078) 4.667 17.701 ( 0.643 5.653 -2.491) 6.211 17.729 ( 0.891 2.164 5.957) 6.400 17.772 ( 0.322 3.689 4.430) 5.774 17.836 ( 3.951 2.059 -0.675) 4.506 17.878 ( -0.093 5.429 -0.697) 5.474 17.922 ( 0.869 3.915 0.105) 4.012 17.957 ( 0.222 5.144 0.921) 5.231 18.001 ( 0.072 5.501 -5.312) 7.648 18.045 ( -3.566 4.492 -4.472) 7.273 18.960 ( 2.786 -7.462 22.370) 23.746 19.049 ( -4.677 -5.056 16.940) 18.287 19.282 ( 7.034 -6.322 3.521) 10.092 19.395 ( -4.535 -6.969 -2.215) 8.604 19.482 ( -0.675 -12.027 -12.934) 17.675 19.511 ( 0.526 -9.749 -12.541) 15.894 19.586 ( 0.530 -8.345 -14.360) 16.617 19.627 ( -1.368 -6.715 -11.810) 13.655 ======================= Grid point 60 (25/30) ======================= q-point: ( 0.00 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( 0.000 4.550 15.458) 16.114 1.499 ( 0.000 -8.449 8.106) 11.709 1.627 ( 0.000 -5.724 4.610) 7.350 1.631 ( 0.000 -7.494 -6.804) 10.122 1.774 ( 0.000 -2.923 2.009) 3.547 1.792 ( 0.000 0.166 -6.607) 6.609 1.848 ( 0.000 -0.304 -0.929) 0.978 1.887 ( 0.000 7.992 1.448) 8.122 2.027 ( 0.000 6.663 -0.944) 6.729 2.032 ( 0.000 8.487 -6.357) 10.604 2.127 ( 0.000 0.102 6.054) 6.054 2.158 ( 0.000 3.944 -1.693) 4.292 2.242 ( 0.000 2.412 1.559) 2.872 2.283 ( 0.000 8.195 -6.978) 10.763 2.343 ( 0.000 9.592 5.093) 10.860 2.371 ( 0.000 5.774 2.431) 6.265 2.484 ( 0.000 11.584 0.552) 11.597 2.526 ( 0.000 11.851 1.234) 11.915 2.552 ( 0.000 7.730 1.942) 7.971 2.581 ( 0.000 7.835 2.415) 8.199 2.677 ( 0.000 7.176 2.425) 7.575 2.730 ( 0.000 7.307 -4.446) 8.553 2.741 ( 0.000 6.651 -5.937) 8.915 2.829 ( 0.000 10.298 -3.714) 10.948 2.872 ( 0.000 3.635 3.980) 5.390 2.949 ( 0.000 6.693 0.369) 6.704 2.962 ( 0.000 4.652 0.945) 4.747 3.000 ( 0.000 -0.746 -2.157) 2.282 3.078 ( 0.000 9.125 1.931) 9.327 3.115 ( 0.000 1.488 0.498) 1.569 3.166 ( 0.000 3.020 2.383) 3.847 3.213 ( 0.000 7.558 -2.324) 7.907 3.266 ( 0.000 9.219 5.050) 10.512 3.315 ( 0.000 7.063 -1.342) 7.189 3.344 ( 0.000 7.529 2.214) 7.848 3.395 ( 0.000 2.560 3.725) 4.519 3.452 ( 0.000 1.202 3.102) 3.327 3.492 ( 0.000 4.703 -3.656) 5.957 3.566 ( 0.000 5.943 0.166) 5.945 3.621 ( 0.000 8.995 1.762) 9.166 3.647 ( 0.000 5.141 2.638) 5.779 3.666 ( 0.000 6.293 0.970) 6.368 3.763 ( 0.000 4.471 -3.668) 5.783 3.791 ( 0.000 5.534 -3.795) 6.710 3.802 ( 0.000 4.939 0.584) 4.973 3.872 ( 0.000 5.008 -8.433) 9.808 3.896 ( 0.000 1.153 -0.127) 1.160 3.897 ( 0.000 -0.168 -0.978) 0.992 3.970 ( 0.000 3.272 1.225) 3.494 3.996 ( 0.000 1.690 0.315) 1.719 4.071 ( 0.000 0.940 1.941) 2.157 4.103 ( 0.000 3.464 -3.222) 4.731 4.177 ( 0.000 4.681 -0.448) 4.703 4.204 ( 0.000 2.496 -3.223) 4.077 4.217 ( 0.000 0.043 -0.521) 0.523 4.262 ( 0.000 -1.595 -4.128) 4.425 4.311 ( 0.000 -0.963 -0.439) 1.059 4.330 ( 0.000 0.264 -1.477) 1.501 4.406 ( 0.000 2.573 4.100) 4.841 4.480 ( 0.000 2.969 -1.847) 3.497 4.623 ( 0.000 -6.005 -0.124) 6.007 4.642 ( 0.000 -3.055 -1.047) 3.229 4.755 ( 0.000 -1.857 0.449) 1.911 4.788 ( 0.000 -2.606 -2.426) 3.560 4.848 ( 0.000 -1.074 1.551) 1.887 4.860 ( 0.000 -1.578 1.173) 1.966 4.920 ( 0.000 -4.838 3.102) 5.748 4.959 ( 0.000 -3.505 -0.647) 3.564 5.050 ( 0.000 -1.063 -2.640) 2.846 5.052 ( 0.000 -4.532 -2.127) 5.006 5.197 ( 0.000 0.241 1.406) 1.426 5.216 ( 0.000 -0.473 0.502) 0.690 5.251 ( 0.000 1.738 -2.132) 2.750 5.253 ( 0.000 3.044 -3.006) 4.278 5.328 ( 0.000 2.261 0.580) 2.335 5.340 ( 0.000 1.468 0.927) 1.736 5.456 ( 0.000 5.163 -2.371) 5.681 5.458 ( 0.000 5.110 -1.893) 5.449 5.661 ( 0.000 0.534 0.032) 0.535 5.674 ( 0.000 -0.949 -0.609) 1.128 5.879 ( 0.000 -1.352 2.215) 2.595 5.927 ( 0.000 -3.257 -2.158) 3.907 6.026 ( 0.000 -0.939 -0.584) 1.106 6.032 ( 0.000 0.965 -0.651) 1.164 6.114 ( 0.000 -1.737 4.264) 4.604 6.175 ( 0.000 -1.702 1.809) 2.484 6.189 ( 0.000 -3.599 1.123) 3.770 6.207 ( 0.000 -2.843 -3.223) 4.298 6.272 ( 0.000 -1.422 5.346) 5.532 6.345 ( 0.000 -0.543 -2.111) 2.180 6.371 ( 0.000 0.055 1.834) 1.835 6.408 ( 0.000 -2.885 0.262) 2.897 6.409 ( 0.000 -0.747 2.611) 2.716 6.446 ( 0.000 -2.480 -1.728) 3.023 6.543 ( 0.000 -0.819 -0.508) 0.964 6.586 ( 0.000 -1.016 -3.239) 3.395 6.661 ( 0.000 -1.569 2.790) 3.201 6.695 ( 0.000 -0.279 -0.573) 0.637 6.758 ( 0.000 0.597 -1.396) 1.519 6.762 ( 0.000 -2.849 -2.366) 3.703 6.813 ( 0.000 -0.895 0.835) 1.224 6.823 ( 0.000 -1.225 0.202) 1.242 6.989 ( 0.000 0.767 0.604) 0.976 6.994 ( 0.000 -0.267 0.832) 0.874 7.071 ( 0.000 -0.822 1.884) 2.056 7.094 ( 0.000 -3.335 -0.420) 3.361 7.157 ( 0.000 -3.205 1.715) 3.635 7.207 ( 0.000 -2.248 0.769) 2.376 7.221 ( 0.000 -5.742 -1.519) 5.939 7.260 ( 0.000 -1.006 -4.784) 4.888 7.337 ( 0.000 -5.417 0.513) 5.441 7.357 ( 0.000 -3.302 -1.045) 3.463 7.542 ( 0.000 5.170 -0.297) 5.178 7.552 ( 0.000 5.787 -1.246) 5.919 7.604 ( 0.000 6.041 2.138) 6.408 7.625 ( 0.000 5.293 1.233) 5.434 7.688 ( 0.000 8.926 -1.339) 9.026 7.705 ( 0.000 6.382 -0.236) 6.386 7.786 ( 0.000 6.003 -0.522) 6.026 7.848 ( 0.000 3.342 -5.278) 6.247 9.042 ( 0.000 -1.515 2.708) 3.103 9.122 ( 0.000 -3.019 -3.689) 4.767 9.185 ( 0.000 -1.468 1.263) 1.936 9.197 ( 0.000 -2.386 -0.929) 2.561 9.289 ( 0.000 -1.619 -0.618) 1.733 9.320 ( 0.000 -2.179 -4.038) 4.588 9.379 ( 0.000 3.281 1.626) 3.662 9.430 ( 0.000 1.765 -2.341) 2.931 9.546 ( 0.000 0.720 2.761) 2.853 9.585 ( 0.000 2.744 -0.943) 2.902 9.590 ( 0.000 2.637 3.460) 4.350 9.651 ( 0.000 0.985 -2.168) 2.381 9.757 ( 0.000 1.766 1.137) 2.100 9.758 ( 0.000 -0.290 -0.012) 0.290 9.813 ( 0.000 4.434 1.441) 4.662 9.863 ( 0.000 2.836 -1.991) 3.466 10.055 ( 0.000 -4.863 -0.366) 4.876 10.060 ( 0.000 -5.435 -0.593) 5.467 10.103 ( 0.000 -7.281 -0.131) 7.282 10.103 ( 0.000 -6.868 -0.160) 6.870 10.177 ( 0.000 -5.156 0.136) 5.158 10.184 ( 0.000 -4.059 -0.540) 4.095 10.211 ( 0.000 -6.792 2.576) 7.264 10.256 ( 0.000 -6.948 -1.489) 7.105 11.302 ( 0.000 6.062 1.636) 6.279 11.321 ( 0.000 3.973 1.484) 4.241 11.361 ( 0.000 1.100 2.357) 2.601 11.398 ( 0.000 -1.099 4.695) 4.822 11.409 ( 0.000 -1.814 0.162) 1.821 11.441 ( 0.000 2.330 0.762) 2.451 11.449 ( 0.000 -1.174 3.152) 3.363 11.499 ( 0.000 -0.591 -2.857) 2.918 11.501 ( 0.000 -1.221 -0.396) 1.283 11.518 ( 0.000 -2.398 -1.320) 2.738 11.573 ( 0.000 -2.257 1.071) 2.499 11.584 ( 0.000 1.255 0.232) 1.276 11.647 ( 0.000 -0.058 0.363) 0.367 11.657 ( 0.000 -1.504 -0.391) 1.554 11.750 ( 0.000 0.664 1.030) 1.225 11.758 ( 0.000 0.829 0.473) 0.954 11.878 ( 0.000 2.630 1.615) 3.086 11.894 ( 0.000 -0.758 0.532) 0.925 11.950 ( 0.000 7.150 -0.079) 7.150 11.956 ( 0.000 3.378 -0.399) 3.402 12.019 ( 0.000 1.555 0.852) 1.773 12.052 ( 0.000 -0.666 -1.717) 1.842 12.128 ( 0.000 -2.778 2.413) 3.680 12.148 ( 0.000 3.046 0.236) 3.055 12.187 ( 0.000 -0.954 2.571) 2.743 12.220 ( 0.000 -1.129 -0.503) 1.237 12.248 ( 0.000 2.199 2.420) 3.270 12.321 ( 0.000 3.363 -3.633) 4.951 12.338 ( 0.000 3.892 0.066) 3.893 12.348 ( 0.000 0.038 -1.597) 1.597 12.398 ( 0.000 4.817 1.613) 5.080 12.429 ( 0.000 5.563 -0.471) 5.583 12.527 ( 0.000 5.161 1.196) 5.297 12.551 ( 0.000 3.581 -0.011) 3.581 12.623 ( 0.000 12.416 1.318) 12.485 12.633 ( 0.000 13.068 0.076) 13.068 12.792 ( 0.000 4.034 3.875) 5.593 12.888 ( 0.000 4.264 -5.279) 6.786 13.017 ( 0.000 -0.854 -0.379) 0.935 13.047 ( 0.000 -0.110 -3.076) 3.078 16.126 ( 0.000 -2.796 1.383) 3.120 16.130 ( 0.000 -1.521 1.518) 2.149 16.148 ( 0.000 -2.802 -0.650) 2.877 16.158 ( 0.000 -1.769 -0.849) 1.962 16.197 ( 0.000 -2.515 0.633) 2.593 16.212 ( 0.000 -2.273 -0.597) 2.351 16.248 ( 0.000 -2.222 0.405) 2.258 16.250 ( 0.000 -2.175 0.162) 2.181 17.353 ( 0.000 -6.382 4.332) 7.713 17.380 ( 0.000 -5.731 3.423) 6.676 17.475 ( 0.000 -6.102 1.853) 6.377 17.479 ( 0.000 -4.962 -0.396) 4.978 17.612 ( 0.000 -3.057 1.419) 3.370 17.653 ( 0.000 -2.724 -1.033) 2.914 17.713 ( 0.000 -0.668 3.773) 3.832 17.739 ( 0.000 -1.543 -0.742) 1.712 17.833 ( 0.000 5.752 0.208) 5.755 17.844 ( 0.000 1.389 3.137) 3.431 17.897 ( 0.000 6.230 -1.085) 6.324 17.991 ( 0.000 5.755 -4.939) 7.583 18.023 ( 0.000 4.597 1.671) 4.891 18.118 ( 0.000 3.218 -7.139) 7.831 18.132 ( 0.000 10.081 1.276) 10.162 18.206 ( 0.000 5.796 -4.758) 7.498 18.694 ( 0.000 -12.916 20.826) 24.506 19.023 ( 0.000 -5.870 14.093) 15.266 19.030 ( 0.000 -5.039 8.206) 9.630 19.143 ( 0.000 -15.940 -15.284) 22.084 19.326 ( 0.000 -5.517 -12.859) 13.992 19.345 ( 0.000 -3.545 4.615) 5.819 19.358 ( 0.000 -8.842 -11.914) 14.836 19.560 ( 0.000 -1.555 -11.583) 11.687 ======================= Grid point 61 (26/30) ======================= q-point: ( 0.33 0.22 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.406 ( 1.600 -1.741 12.110) 12.339 1.513 ( 2.915 -5.561 7.953) 10.133 1.602 ( -3.919 -4.322 6.437) 8.687 1.670 ( 2.075 -7.718 -3.319) 8.654 1.734 ( -2.083 1.785 0.366) 2.767 1.777 ( 0.182 -0.855 -5.393) 5.464 1.859 ( -0.615 4.899 4.004) 6.356 1.928 ( 2.640 4.660 0.379) 5.370 1.982 ( 1.229 7.672 -2.020) 8.028 2.077 ( 0.400 3.616 -5.166) 6.319 2.094 ( -3.242 0.392 -5.065) 6.027 2.137 ( -2.407 5.195 -3.038) 6.481 2.239 ( 2.272 4.968 5.355) 7.649 2.287 ( -2.980 7.776 6.028) 10.280 2.330 ( -0.254 7.209 -0.559) 7.235 2.355 ( 0.193 9.456 -2.776) 9.856 2.402 ( -2.814 7.821 -1.369) 8.424 2.529 ( 0.032 9.499 5.106) 10.784 2.554 ( -1.722 7.979 -0.288) 8.168 2.657 ( 2.692 7.593 -1.845) 8.264 2.698 ( 5.332 7.332 4.086) 9.944 2.750 ( 0.651 6.425 -1.255) 6.579 2.779 ( 0.391 6.257 -1.810) 6.525 2.832 ( 0.689 6.909 -2.659) 7.435 2.894 ( 2.593 5.140 0.556) 5.784 2.929 ( -0.892 5.013 0.653) 5.133 2.952 ( -1.237 3.407 -0.655) 3.683 2.990 ( -1.629 2.773 -2.279) 3.942 3.073 ( 0.341 8.977 0.848) 9.023 3.105 ( -0.854 4.801 0.158) 4.879 3.139 ( -3.680 8.252 2.888) 9.486 3.181 ( 0.425 5.092 2.048) 5.505 3.284 ( 0.494 6.692 0.081) 6.711 3.315 ( -0.135 5.660 2.478) 6.180 3.354 ( -1.956 8.530 2.836) 9.200 3.367 ( 1.906 5.644 -1.342) 6.107 3.435 ( -2.442 3.470 -0.094) 4.244 3.520 ( 3.009 6.057 -0.495) 6.782 3.555 ( -0.958 9.586 2.939) 10.072 3.634 ( -0.689 3.096 1.083) 3.351 3.667 ( 2.400 6.476 1.553) 7.079 3.690 ( 1.478 3.849 -0.622) 4.169 3.744 ( -1.378 7.659 -2.751) 8.254 3.794 ( 1.206 4.855 -0.836) 5.072 3.839 ( 0.786 1.203 -1.638) 2.179 3.871 ( 0.147 4.120 -1.536) 4.399 3.893 ( -0.277 -0.096 -1.373) 1.404 3.906 ( 0.672 2.559 -3.363) 4.278 3.964 ( 0.602 -0.148 1.282) 1.424 4.023 ( 0.609 -0.410 0.946) 1.198 4.056 ( 0.210 -0.917 -0.175) 0.957 4.096 ( -2.203 -0.598 0.627) 2.367 4.153 ( -1.982 -0.003 -1.356) 2.402 4.176 ( 0.422 4.056 -3.830) 5.594 4.210 ( -0.813 4.327 -2.441) 5.034 4.242 ( -0.969 4.424 -5.572) 7.180 4.343 ( 2.085 1.849 1.662) 3.245 4.390 ( 5.124 -1.370 -1.258) 5.451 4.433 ( 1.144 1.052 3.884) 4.183 4.514 ( 1.626 3.122 -2.629) 4.394 4.601 ( -0.328 -2.513 0.463) 2.576 4.647 ( -0.401 -2.268 -1.019) 2.518 4.693 ( -4.710 -0.858 -0.663) 4.833 4.763 ( -4.166 -3.124 -3.925) 6.521 4.820 ( -0.686 -1.593 1.584) 2.349 4.855 ( 1.177 -3.376 -0.635) 3.631 4.931 ( -0.502 -3.748 2.545) 4.559 4.958 ( 0.958 -5.632 1.377) 5.876 5.041 ( -0.013 -2.116 -0.703) 2.230 5.084 ( 1.434 -1.999 -2.457) 3.477 5.164 ( -2.848 -0.034 1.135) 3.066 5.211 ( -0.366 -0.481 -1.518) 1.634 5.232 ( 0.083 1.592 -0.073) 1.596 5.270 ( -1.427 2.639 0.708) 3.082 5.290 ( 1.985 3.784 -3.518) 5.535 5.334 ( -2.524 3.708 -3.729) 5.833 5.509 ( 5.640 1.749 2.735) 6.507 5.535 ( 3.706 2.080 0.491) 4.278 5.618 ( -3.898 0.134 0.984) 4.023 5.682 ( 0.129 2.314 -4.337) 4.917 5.878 ( 0.177 -2.195 2.436) 3.284 5.939 ( 0.765 -2.427 -2.995) 3.930 6.014 ( -0.825 -1.309 0.085) 1.550 6.028 ( -0.438 -0.243 -1.095) 1.204 6.128 ( 1.284 -0.906 3.812) 4.123 6.163 ( -1.025 -2.091 3.649) 4.328 6.190 ( -0.116 -2.492 -0.737) 2.601 6.223 ( 1.481 -3.359 -1.336) 3.906 6.280 ( 1.064 -1.208 4.388) 4.674 6.314 ( -2.751 -1.229 1.081) 3.201 6.338 ( -1.597 -1.446 -0.765) 2.286 6.392 ( -1.101 -1.961 -2.374) 3.270 6.448 ( 2.387 -0.794 2.768) 3.740 6.475 ( 1.985 -0.628 1.713) 2.696 6.541 ( 0.406 -0.789 -1.877) 2.076 6.579 ( -1.554 -1.597 -3.408) 4.072 6.656 ( 0.334 -1.757 2.378) 2.976 6.677 ( -1.394 -0.672 0.571) 1.650 6.719 ( -2.467 -1.333 -1.150) 3.030 6.737 ( -1.742 -0.831 -2.955) 3.530 6.862 ( 3.576 0.480 1.860) 4.059 6.888 ( 5.665 -0.821 -0.070) 5.724 6.966 ( -2.645 0.112 0.768) 2.756 6.984 ( -1.764 -0.840 -0.547) 2.029 7.077 ( -0.109 -2.897 1.359) 3.202 7.103 ( 1.469 -2.758 -0.150) 3.129 7.134 ( -1.678 -3.067 1.228) 3.705 7.196 ( -0.568 -2.311 -1.535) 2.832 7.231 ( 0.211 -3.722 0.075) 3.729 7.278 ( 1.321 -1.931 -3.568) 4.266 7.313 ( -1.280 -5.191 2.183) 5.775 7.366 ( 0.228 -3.419 -2.525) 4.256 7.555 ( 1.406 5.516 0.290) 5.700 7.573 ( 1.749 5.429 -0.816) 5.762 7.588 ( -1.536 5.849 1.440) 6.216 7.617 ( -1.029 5.492 -0.653) 5.625 7.686 ( -0.086 7.432 0.903) 7.487 7.725 ( 1.946 7.057 -1.219) 7.421 7.767 ( -1.860 6.336 -0.085) 6.604 7.836 ( -0.826 4.212 -5.002) 6.591 9.035 ( -0.416 -1.851 2.484) 3.125 9.117 ( -0.146 -3.873 -4.568) 5.990 9.178 ( -0.736 -0.931 1.406) 1.840 9.223 ( 1.627 -1.326 -0.951) 2.304 9.329 ( 4.151 -2.376 -0.581) 4.818 9.345 ( 3.146 -1.063 -1.702) 3.731 9.398 ( 0.387 0.990 0.404) 1.137 9.427 ( -2.446 0.133 -1.406) 2.825 9.504 ( -2.272 1.221 2.391) 3.517 9.552 ( -1.741 3.691 1.157) 4.242 9.563 ( -1.833 2.122 0.389) 2.831 9.626 ( -2.146 3.641 -2.311) 4.817 9.734 ( -0.748 1.130 2.185) 2.571 9.784 ( 0.916 0.382 -1.736) 1.999 9.814 ( 0.044 3.952 1.927) 4.397 9.863 ( 0.007 2.164 -1.998) 2.946 10.058 ( 0.303 -5.507 0.304) 5.523 10.068 ( 0.433 -4.999 -0.626) 5.057 10.095 ( -0.324 -5.083 1.250) 5.245 10.127 ( 1.371 -4.984 -1.350) 5.343 10.167 ( -0.692 -5.741 1.308) 5.929 10.199 ( 1.142 -6.106 -1.489) 6.388 10.205 ( -0.484 -6.819 2.204) 7.183 10.245 ( -0.981 -7.017 -1.468) 7.236 11.314 ( 1.277 4.128 2.662) 5.075 11.335 ( 1.544 4.537 0.809) 4.860 11.355 ( -2.087 2.037 2.519) 3.854 11.384 ( 0.438 1.817 2.993) 3.529 11.392 ( -1.201 2.891 0.549) 3.178 11.437 ( -0.868 -0.527 2.073) 2.308 11.457 ( -0.082 -1.571 1.088) 1.913 11.474 ( -0.347 -0.877 -0.658) 1.150 11.517 ( 0.862 -2.346 1.062) 2.715 11.539 ( 0.208 -2.639 -1.012) 2.834 11.562 ( -0.007 -1.582 -1.516) 2.191 11.588 ( 0.620 -2.119 -1.725) 2.802 11.668 ( 1.448 -1.741 1.235) 2.579 11.686 ( 2.555 -0.792 0.207) 2.683 11.759 ( -0.988 0.099 1.836) 2.087 11.787 ( 2.461 1.661 0.241) 2.978 11.859 ( -0.487 1.920 1.742) 2.638 11.891 ( 0.477 0.723 0.748) 1.144 11.924 ( -2.345 4.288 -0.275) 4.895 11.941 ( -1.783 4.367 -0.429) 4.736 12.041 ( 2.673 0.643 1.890) 3.336 12.080 ( 2.048 -0.032 -1.087) 2.319 12.108 ( -1.929 -0.375 0.897) 2.160 12.144 ( -0.582 1.481 -0.855) 1.806 12.178 ( -1.058 -2.771 2.690) 4.004 12.201 ( -0.842 -0.456 1.394) 1.691 12.246 ( -1.398 2.386 -0.056) 2.766 12.269 ( -1.407 1.532 -2.588) 3.320 12.349 ( 0.981 6.269 0.362) 6.356 12.368 ( 1.680 4.257 0.633) 4.621 12.421 ( -1.420 7.660 -1.183) 7.880 12.450 ( 2.516 3.469 0.363) 4.301 12.501 ( -1.285 3.842 2.424) 4.721 12.556 ( 0.878 4.053 -2.104) 4.650 12.597 ( -1.837 11.754 1.877) 12.044 12.642 ( -0.043 9.997 -1.167) 10.065 12.811 ( 1.311 3.523 4.587) 5.930 12.922 ( 3.108 3.402 -3.309) 5.673 12.981 ( -3.057 0.975 -0.421) 3.237 13.049 ( -0.120 0.324 -4.548) 4.561 16.120 ( -0.292 -2.201 1.545) 2.705 16.134 ( 0.120 -2.011 1.380) 2.442 16.147 ( -0.052 -2.407 -0.983) 2.600 16.157 ( -0.062 -1.926 -0.780) 2.079 16.198 ( 0.112 -2.485 0.960) 2.666 16.217 ( 0.352 -2.311 -0.719) 2.446 16.244 ( -0.203 -2.302 0.668) 2.406 16.251 ( 0.004 -2.260 -0.007) 2.260 17.361 ( 0.586 -6.060 5.251) 8.040 17.387 ( 0.361 -6.068 5.614) 8.274 17.468 ( -0.535 -5.288 -2.250) 5.772 17.485 ( 0.997 -4.833 -1.842) 5.267 17.593 ( -0.570 -2.942 4.283) 5.228 17.647 ( -4.010 -2.760 4.408) 6.567 17.694 ( 2.326 -2.124 -4.134) 5.197 17.758 ( -1.895 -1.395 -3.139) 3.923 17.816 ( 2.680 0.649 2.273) 3.574 17.846 ( -0.646 3.629 2.122) 4.254 17.897 ( 0.713 4.973 -1.164) 5.157 17.965 ( -3.459 3.276 -3.658) 6.007 18.063 ( 2.590 7.747 2.442) 8.525 18.122 ( 0.628 8.877 0.470) 8.911 18.151 ( 0.847 7.072 -4.003) 8.170 18.188 ( -1.011 8.006 -3.071) 8.634 18.739 ( 3.554 -12.697 16.838) 21.386 18.913 ( -4.901 -7.008 15.244) 17.479 19.110 ( 1.273 -14.970 -11.196) 18.737 19.184 ( 5.257 -5.178 2.856) 7.913 19.263 ( -2.386 -11.516 -12.709) 17.316 19.301 ( -4.551 -3.145 7.467) 9.293 19.444 ( 5.223 -3.827 -12.993) 14.517 19.528 ( -3.341 -1.975 -12.078) 12.686 ======================= Grid point 63 (27/30) ======================= q-point: ( 0.00 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.141 ( 0.000 -15.218 4.543) 15.882 1.308 ( 0.000 -17.475 -7.995) 19.217 1.451 ( 0.000 -5.093 2.929) 5.876 1.482 ( 0.000 -7.991 -2.576) 8.396 1.733 ( 0.000 -1.600 -0.612) 1.713 1.751 ( 0.000 -3.862 -2.977) 4.876 1.881 ( 0.000 3.550 4.628) 5.833 1.990 ( 0.000 0.546 -1.207) 1.325 2.088 ( 0.000 1.516 1.216) 1.943 2.140 ( 0.000 5.100 -6.025) 7.894 2.206 ( 0.000 6.645 2.817) 7.218 2.289 ( 0.000 3.906 -4.190) 5.728 2.388 ( 0.000 12.761 2.548) 13.013 2.433 ( 0.000 7.842 -0.989) 7.904 2.527 ( 0.000 7.693 3.789) 8.575 2.571 ( 0.000 7.933 0.918) 7.985 2.616 ( 0.000 2.055 5.906) 6.253 2.665 ( 0.000 3.115 5.587) 6.397 2.717 ( 0.000 3.152 0.709) 3.231 2.764 ( 0.000 1.439 4.526) 4.749 2.769 ( 0.000 5.456 -1.613) 5.689 2.786 ( 0.000 0.013 -2.591) 2.591 2.803 ( 0.000 0.455 -3.632) 3.660 2.968 ( 0.000 8.384 -0.390) 8.393 2.969 ( 0.000 1.588 -0.574) 1.688 2.996 ( 0.000 5.180 -7.225) 8.890 3.037 ( 0.000 2.649 1.312) 2.956 3.059 ( 0.000 2.839 0.781) 2.944 3.184 ( 0.000 6.225 0.278) 6.231 3.195 ( 0.000 3.556 -0.366) 3.575 3.261 ( 0.000 4.129 1.475) 4.384 3.301 ( 0.000 -0.367 -0.756) 0.840 3.361 ( 0.000 2.189 -1.435) 2.617 3.381 ( 0.000 2.160 -2.610) 3.388 3.443 ( 0.000 3.095 4.212) 5.227 3.512 ( 0.000 4.153 -0.929) 4.255 3.559 ( 0.000 3.274 0.509) 3.313 3.566 ( 0.000 0.526 -1.746) 1.824 3.633 ( 0.000 0.275 3.371) 3.382 3.694 ( 0.000 0.686 -1.257) 1.432 3.753 ( 0.000 -4.105 0.417) 4.127 3.759 ( 0.000 2.668 1.203) 2.927 3.823 ( 0.000 2.372 2.910) 3.755 3.838 ( 0.000 -3.656 -1.519) 3.959 3.860 ( 0.000 -1.030 1.878) 2.142 3.875 ( 0.000 -3.480 -1.275) 3.706 3.994 ( 0.000 4.764 5.476) 7.259 3.997 ( 0.000 4.832 -1.016) 4.938 4.012 ( 0.000 6.735 1.015) 6.811 4.100 ( 0.000 5.844 0.510) 5.867 4.108 ( 0.000 4.882 -3.193) 5.833 4.157 ( 0.000 2.154 -0.602) 2.236 4.206 ( 0.000 3.318 0.595) 3.370 4.217 ( 0.000 5.317 -0.069) 5.318 4.271 ( 0.000 -0.345 -2.879) 2.899 4.277 ( 0.000 -0.485 -4.750) 4.775 4.409 ( 0.000 5.312 0.044) 5.312 4.422 ( 0.000 4.947 -0.945) 5.036 4.530 ( 0.000 0.411 0.551) 0.688 4.534 ( 0.000 6.420 2.820) 7.012 4.577 ( 0.000 3.489 -2.852) 4.507 4.640 ( 0.000 7.052 -6.298) 9.455 4.706 ( 0.000 -2.070 0.286) 2.090 4.714 ( 0.000 0.736 -0.548) 0.917 4.831 ( 0.000 1.190 0.402) 1.256 4.831 ( 0.000 0.120 0.859) 0.868 4.863 ( 0.000 0.408 3.393) 3.418 4.934 ( 0.000 0.102 -2.531) 2.533 5.038 ( 0.000 2.111 0.741) 2.237 5.062 ( 0.000 0.965 -1.275) 1.599 5.190 ( 0.000 -0.409 1.779) 1.825 5.226 ( 0.000 1.334 -1.019) 1.679 5.344 ( 0.000 8.177 1.528) 8.319 5.399 ( 0.000 8.847 -2.475) 9.187 5.424 ( 0.000 7.197 0.117) 7.198 5.442 ( 0.000 7.255 -0.411) 7.267 5.579 ( 0.000 5.653 -1.233) 5.786 5.582 ( 0.000 6.136 -0.250) 6.141 5.686 ( 0.000 2.212 -0.042) 2.213 5.693 ( 0.000 3.720 -0.411) 3.743 5.856 ( 0.000 -1.082 -0.015) 1.082 5.878 ( 0.000 -1.842 -1.835) 2.601 5.987 ( 0.000 -3.444 0.971) 3.579 6.006 ( 0.000 -3.205 -0.419) 3.233 6.086 ( 0.000 -1.044 4.388) 4.510 6.124 ( 0.000 -2.932 0.548) 2.983 6.125 ( 0.000 -3.156 0.948) 3.295 6.169 ( 0.000 -1.930 -1.890) 2.701 6.230 ( 0.000 -2.561 3.856) 4.629 6.288 ( 0.000 -4.421 -0.299) 4.431 6.351 ( 0.000 -3.405 -0.045) 3.406 6.359 ( 0.000 -2.795 1.649) 3.246 6.381 ( 0.000 -2.289 0.321) 2.311 6.395 ( 0.000 0.539 -1.320) 1.425 6.530 ( 0.000 -0.436 1.127) 1.209 6.581 ( 0.000 -0.254 -2.270) 2.285 6.609 ( 0.000 -3.124 1.153) 3.330 6.631 ( 0.000 -4.992 -0.924) 5.077 6.670 ( 0.000 -3.931 -0.830) 4.017 6.678 ( 0.000 -4.445 -0.716) 4.502 6.842 ( 0.000 1.402 1.436) 2.007 6.860 ( 0.000 2.385 -0.438) 2.425 6.960 ( 0.000 -1.784 0.027) 1.785 6.968 ( 0.000 -4.822 -0.208) 4.827 7.037 ( 0.000 1.270 1.548) 2.002 7.082 ( 0.000 1.003 -0.339) 1.059 7.095 ( 0.000 -2.290 1.449) 2.710 7.135 ( 0.000 -3.233 -1.077) 3.408 7.137 ( 0.000 -4.019 0.493) 4.049 7.205 ( 0.000 -3.750 -3.049) 4.833 7.235 ( 0.000 -3.962 -1.713) 4.317 7.269 ( 0.000 -4.223 -2.790) 5.061 7.648 ( 0.000 4.078 0.027) 4.078 7.653 ( 0.000 3.552 -0.455) 3.581 7.716 ( 0.000 4.157 0.447) 4.181 7.718 ( 0.000 3.403 0.354) 3.421 7.833 ( 0.000 5.207 1.061) 5.314 7.847 ( 0.000 5.441 -1.027) 5.537 7.886 ( 0.000 3.522 -1.287) 3.749 7.905 ( 0.000 2.448 -2.503) 3.501 9.027 ( 0.000 0.157 1.197) 1.207 9.073 ( 0.000 -1.460 -2.554) 2.942 9.155 ( 0.000 -1.280 -0.081) 1.282 9.161 ( 0.000 -1.268 -0.958) 1.589 9.252 ( 0.000 -1.430 -1.294) 1.928 9.271 ( 0.000 -2.159 -3.175) 3.839 9.436 ( 0.000 1.664 1.394) 2.171 9.457 ( 0.000 0.423 -0.467) 0.630 9.529 ( 0.000 -1.950 1.384) 2.391 9.561 ( 0.000 -2.973 -1.657) 3.404 9.632 ( 0.000 1.544 2.248) 2.727 9.672 ( 0.000 -0.443 -1.349) 1.420 9.753 ( 0.000 -0.431 0.541) 0.691 9.755 ( 0.000 -2.163 0.405) 2.200 9.860 ( 0.000 0.278 1.747) 1.769 9.873 ( 0.000 -0.996 0.646) 1.187 9.967 ( 0.000 -5.180 0.077) 5.180 9.969 ( 0.000 -5.207 -0.422) 5.224 10.016 ( 0.000 -0.036 -0.421) 0.423 10.020 ( 0.000 -0.376 -0.321) 0.494 10.082 ( 0.000 -1.786 1.577) 2.383 10.121 ( 0.000 -2.836 -1.462) 3.191 10.160 ( 0.000 1.589 1.340) 2.078 10.195 ( 0.000 1.748 -1.502) 2.305 11.319 ( 0.000 -1.918 2.809) 3.401 11.349 ( 0.000 -1.068 5.059) 5.170 11.352 ( 0.000 -2.476 -0.453) 2.517 11.394 ( 0.000 -1.733 3.199) 3.638 11.401 ( 0.000 0.249 0.010) 0.249 11.448 ( 0.000 -1.059 0.309) 1.103 11.470 ( 0.000 4.573 0.214) 4.578 11.477 ( 0.000 -0.188 -0.717) 0.742 11.494 ( 0.000 0.232 1.651) 1.667 11.519 ( 0.000 -0.155 -0.128) 0.201 11.552 ( 0.000 1.214 0.469) 1.302 11.593 ( 0.000 0.433 -2.060) 2.105 11.626 ( 0.000 -0.634 0.320) 0.710 11.643 ( 0.000 -0.250 -1.349) 1.372 11.796 ( 0.000 2.053 2.564) 3.285 11.808 ( 0.000 2.405 1.648) 2.916 11.874 ( 0.000 -0.693 1.337) 1.506 11.893 ( 0.000 -0.272 -0.466) 0.540 11.994 ( 0.000 -1.987 1.753) 2.650 12.012 ( 0.000 -2.668 -1.135) 2.899 12.029 ( 0.000 -1.295 0.903) 1.578 12.048 ( 0.000 0.103 0.043) 0.112 12.093 ( 0.000 2.882 2.193) 3.621 12.149 ( 0.000 0.594 -2.792) 2.854 12.151 ( 0.000 -2.254 2.344) 3.252 12.211 ( 0.000 -2.601 -2.480) 3.594 12.269 ( 0.000 1.376 0.861) 1.623 12.270 ( 0.000 -0.396 0.103) 0.410 12.392 ( 0.000 2.157 1.508) 2.632 12.433 ( 0.000 2.613 -1.159) 2.859 12.544 ( 0.000 5.071 0.826) 5.138 12.570 ( 0.000 7.700 -0.380) 7.709 12.637 ( 0.000 5.742 2.061) 6.101 12.663 ( 0.000 5.994 -0.832) 6.051 12.848 ( 0.000 7.540 5.172) 9.143 12.855 ( 0.000 8.411 4.078) 9.348 12.962 ( 0.000 3.232 -4.226) 5.320 12.963 ( 0.000 6.674 -4.146) 7.857 13.077 ( 0.000 8.957 1.907) 9.158 13.164 ( 0.000 9.768 -5.710) 11.314 16.073 ( 0.000 -2.102 1.221) 2.431 16.090 ( 0.000 -2.398 -0.213) 2.408 16.098 ( 0.000 -1.462 0.629) 1.591 16.116 ( 0.000 -1.922 -0.816) 2.088 16.153 ( 0.000 -1.621 0.502) 1.697 16.167 ( 0.000 -1.909 -0.672) 2.024 16.205 ( 0.000 -1.813 0.177) 1.822 16.208 ( 0.000 -1.741 -0.173) 1.750 17.212 ( 0.000 -6.210 3.958) 7.364 17.264 ( 0.000 -4.698 1.970) 5.094 17.345 ( 0.000 -7.305 -2.656) 7.773 17.349 ( 0.000 -5.179 0.091) 5.179 17.528 ( 0.000 -4.510 1.525) 4.761 17.558 ( 0.000 -5.460 -1.045) 5.559 17.633 ( 0.000 -7.577 1.633) 7.751 17.660 ( 0.000 -6.639 -0.660) 6.672 17.830 ( 0.000 -1.070 2.103) 2.360 17.871 ( 0.000 -1.214 -1.775) 2.150 17.962 ( 0.000 0.379 0.470) 0.604 18.032 ( 0.000 -2.660 -6.250) 6.792 18.058 ( 0.000 -0.346 -0.233) 0.417 18.104 ( 0.000 -1.844 -3.544) 3.995 18.345 ( 0.000 7.809 0.719) 7.842 18.350 ( 0.000 7.008 -0.102) 7.009 18.461 ( 0.000 -6.970 13.204) 14.931 18.754 ( 0.000 -15.220 -13.008) 20.021 18.983 ( 0.000 2.333 10.640) 10.892 19.084 ( 0.000 4.527 7.470) 8.734 19.217 ( 0.000 -3.388 -8.630) 9.271 19.279 ( 0.000 0.065 -8.124) 8.125 19.379 ( 0.000 4.522 7.084) 8.404 19.558 ( 0.000 0.462 -9.335) 9.346 ======================= Grid point 64 (28/30) ======================= q-point: ( 0.33 0.33 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( -1.182 -16.443 2.938) 16.745 1.263 ( -2.164 -16.610 -7.470) 18.340 1.525 ( 4.281 -5.861 1.900) 7.502 1.540 ( 4.476 -5.142 4.079) 7.944 1.695 ( -2.602 -4.531 -3.615) 6.354 1.726 ( -2.485 -3.828 -2.239) 5.084 1.917 ( 2.395 2.104 2.351) 3.961 1.993 ( 1.002 1.131 1.095) 1.866 2.096 ( -0.838 2.853 1.238) 3.221 2.131 ( -1.161 6.638 -0.523) 6.759 2.196 ( 1.728 5.328 -6.300) 8.430 2.260 ( -3.242 5.316 -5.795) 8.506 2.390 ( -0.590 8.571 5.594) 10.252 2.442 ( 0.813 7.472 1.569) 7.678 2.490 ( -0.841 6.609 -0.653) 6.694 2.509 ( -3.509 4.965 2.760) 6.677 2.566 ( -2.073 8.061 0.874) 8.369 2.685 ( -0.351 5.636 0.033) 5.647 2.710 ( -1.879 4.343 2.584) 5.392 2.784 ( 2.136 2.598 3.213) 4.651 2.808 ( 3.004 3.133 2.054) 4.802 2.834 ( 2.476 1.417 2.814) 4.007 2.898 ( 4.424 2.295 -0.885) 5.062 2.941 ( -0.072 2.786 -0.474) 2.827 2.965 ( 0.153 4.168 -0.782) 4.243 2.986 ( 1.817 4.561 -3.645) 6.115 3.031 ( -1.787 3.535 0.241) 3.968 3.068 ( -1.353 4.403 -3.889) 6.028 3.143 ( -1.721 1.226 2.207) 3.056 3.199 ( 1.341 3.813 1.152) 4.203 3.286 ( 0.589 2.620 -0.031) 2.685 3.303 ( -2.580 5.944 -1.338) 6.616 3.347 ( 1.467 1.099 0.732) 1.974 3.385 ( -3.278 1.537 2.951) 4.671 3.423 ( 2.183 2.271 -2.267) 3.881 3.475 ( -3.185 0.990 -3.845) 5.090 3.548 ( 1.117 3.670 0.816) 3.922 3.607 ( 3.159 0.390 -2.754) 4.209 3.645 ( -0.794 0.417 -0.115) 0.904 3.668 ( -2.126 0.354 -2.441) 3.257 3.754 ( -0.391 -1.446 3.870) 4.150 3.778 ( -1.097 -0.337 2.716) 2.948 3.788 ( 0.349 -0.680 1.177) 1.403 3.832 ( -0.166 -1.064 0.490) 1.183 3.878 ( 2.944 -2.584 2.275) 4.530 3.925 ( 2.253 -0.272 -0.448) 2.313 3.965 ( -1.962 1.065 0.789) 2.368 3.990 ( -0.225 1.784 1.090) 2.103 4.029 ( -0.027 5.930 0.805) 5.985 4.064 ( -2.019 8.007 1.759) 8.443 4.104 ( -1.347 11.075 -4.659) 12.090 4.116 ( -1.759 5.368 -1.126) 5.760 4.180 ( -0.435 6.651 2.447) 7.100 4.267 ( 0.925 -3.537 -1.406) 3.917 4.320 ( 5.921 2.106 -1.016) 6.366 4.343 ( 5.422 -0.144 -1.495) 5.626 4.399 ( -1.036 3.819 0.619) 4.005 4.426 ( -0.780 6.030 -2.595) 6.611 4.487 ( -4.379 4.660 2.208) 6.765 4.568 ( 2.855 2.129 1.295) 3.790 4.599 ( 1.691 2.155 -3.307) 4.294 4.634 ( -0.843 3.128 -2.606) 4.157 4.664 ( -2.099 0.808 -2.073) 3.059 4.688 ( -2.593 2.827 -2.818) 4.760 4.828 ( -0.229 2.391 1.423) 2.792 4.855 ( 2.431 2.177 -0.547) 3.309 4.874 ( 0.299 -0.969 2.814) 2.992 4.920 ( -1.372 0.129 -1.241) 1.855 5.031 ( -0.707 0.748 0.807) 1.308 5.068 ( 0.553 2.301 -2.239) 3.258 5.170 ( -1.283 -0.268 1.666) 2.120 5.202 ( -1.290 1.229 -1.160) 2.126 5.353 ( 0.747 8.894 1.656) 9.078 5.385 ( -1.366 7.803 2.599) 8.337 5.425 ( 1.081 8.511 -4.114) 9.515 5.457 ( -0.123 6.737 -3.069) 7.404 5.577 ( 0.472 5.339 1.210) 5.495 5.611 ( 2.170 4.248 -0.443) 4.790 5.656 ( -1.891 3.190 2.440) 4.439 5.727 ( 1.339 2.679 -2.702) 4.033 5.852 ( -0.155 -0.396 0.708) 0.826 5.894 ( 1.657 -1.949 -2.665) 3.694 5.969 ( -1.370 -3.138 1.102) 3.597 5.997 ( -1.110 -2.691 -1.117) 3.118 6.096 ( 0.722 -2.591 3.684) 4.561 6.108 ( -0.460 -3.346 1.764) 3.810 6.139 ( 0.686 -2.892 -0.393) 2.998 6.164 ( -0.749 -2.836 -0.960) 3.086 6.240 ( 1.244 -3.108 3.521) 4.859 6.287 ( -0.130 -1.789 0.686) 1.920 6.303 ( -2.198 -1.460 1.146) 2.877 6.329 ( -2.081 -3.946 -1.077) 4.589 6.427 ( 2.988 -1.624 2.005) 3.948 6.450 ( 3.778 -0.941 0.329) 3.908 6.535 ( -0.877 0.500 -0.790) 1.282 6.547 ( -3.288 -1.569 -2.149) 4.229 6.602 ( 0.113 -3.051 1.253) 3.300 6.619 ( -0.491 -4.156 0.796) 4.260 6.654 ( 0.133 -4.646 -1.783) 4.978 6.682 ( -0.968 -3.374 -2.374) 4.238 6.869 ( 2.692 0.118 1.782) 3.231 6.903 ( 3.278 1.151 -0.668) 3.538 6.957 ( -0.161 -1.731 0.561) 1.826 6.978 ( -1.400 -0.997 -0.473) 1.782 7.017 ( -0.142 -0.605 2.982) 3.046 7.050 ( -2.261 -0.968 0.901) 2.619 7.085 ( -0.106 -1.118 -1.839) 2.155 7.121 ( -1.297 -3.029 -2.920) 4.403 7.163 ( 1.104 -3.691 1.416) 4.105 7.202 ( -0.350 -4.596 1.290) 4.787 7.224 ( -0.077 -3.624 -2.905) 4.646 7.280 ( 0.445 -4.233 -4.086) 5.900 7.656 ( 0.747 3.516 0.491) 3.628 7.666 ( 0.920 3.118 -0.231) 3.259 7.701 ( -0.991 4.633 0.409) 4.756 7.715 ( -0.454 3.658 -0.755) 3.762 7.834 ( 0.044 5.932 1.043) 6.023 7.857 ( 0.813 4.496 -0.109) 4.570 7.877 ( -0.766 4.295 -1.522) 4.621 7.904 ( -0.056 2.488 -2.634) 3.624 9.014 ( -0.696 -0.178 0.580) 0.923 9.056 ( -0.740 -1.718 -3.183) 3.693 9.166 ( -0.186 -0.418 -0.077) 0.464 9.189 ( 0.866 -1.540 -1.459) 2.292 9.283 ( 4.516 -1.697 0.017) 4.824 9.307 ( 5.224 -2.055 -1.749) 5.879 9.397 ( -5.203 -0.567 1.216) 5.373 9.419 ( -5.132 -0.905 -0.635) 5.250 9.528 ( 0.813 0.145 0.785) 1.139 9.550 ( -0.157 -1.323 -1.216) 1.803 9.644 ( 0.889 2.381 2.175) 3.345 9.681 ( 0.965 0.511 -1.222) 1.639 9.730 ( -1.623 -1.260 0.733) 2.181 9.745 ( -1.474 -2.615 -0.640) 3.069 9.833 ( -1.215 -1.171 1.745) 2.428 9.855 ( -0.860 -2.205 -0.309) 2.387 9.992 ( 1.176 -1.864 1.287) 2.552 10.004 ( 1.761 -3.460 0.587) 3.926 10.018 ( 1.820 -2.220 -0.003) 2.871 10.044 ( 0.676 -1.420 -1.586) 2.233 10.070 ( -1.146 -2.412 1.407) 3.018 10.109 ( -0.815 -2.877 -1.891) 3.538 10.156 ( -0.262 2.299 1.861) 2.970 10.197 ( 0.077 2.589 -1.627) 3.059 11.322 ( 0.411 -1.800 3.127) 3.631 11.335 ( -0.363 -1.168 4.048) 4.228 11.367 ( 0.004 -2.297 -0.227) 2.308 11.396 ( -0.621 -1.363 0.767) 1.683 11.418 ( 2.526 -0.144 2.269) 3.399 11.447 ( -0.298 -0.330 1.546) 1.609 11.469 ( -0.351 1.027 0.709) 1.297 11.486 ( 0.126 1.945 0.917) 2.154 11.502 ( 1.129 0.392 -0.750) 1.411 11.530 ( 1.261 0.608 -0.513) 1.491 11.556 ( -0.393 1.850 -1.240) 2.262 11.577 ( -0.941 1.038 -2.074) 2.503 11.621 ( 0.761 -1.087 1.943) 2.353 11.660 ( 1.154 -1.293 -1.006) 2.004 11.758 ( -4.025 -0.290 2.812) 4.919 11.803 ( -1.299 -0.513 -0.130) 1.403 11.879 ( 1.671 -0.054 1.989) 2.599 11.889 ( 1.869 0.017 1.567) 2.439 11.972 ( -3.680 0.269 -0.086) 3.691 11.986 ( -3.004 -2.292 -0.504) 3.812 12.019 ( 0.398 -2.370 2.690) 3.607 12.077 ( 1.668 -0.581 -1.647) 2.415 12.114 ( 1.541 1.241 0.811) 2.138 12.134 ( 2.480 0.963 -0.268) 2.674 12.166 ( -1.011 0.483 0.432) 1.201 12.201 ( -0.826 -0.262 -1.805) 2.002 12.255 ( -1.294 0.910 1.149) 1.955 12.291 ( 0.699 0.763 -0.886) 1.363 12.420 ( 2.365 1.078 3.059) 4.014 12.476 ( 3.765 2.868 0.287) 4.742 12.528 ( -0.630 4.540 1.031) 4.698 12.592 ( -0.983 6.222 -2.346) 6.722 12.615 ( -1.205 6.598 0.270) 6.712 12.641 ( -0.364 7.493 -0.869) 7.552 12.770 ( -2.930 3.998 4.380) 6.614 12.840 ( -3.899 4.642 -2.249) 6.466 12.969 ( 4.685 8.151 4.331) 10.351 13.028 ( -0.750 11.167 2.386) 11.443 13.095 ( 3.101 6.302 -4.574) 8.382 13.147 ( -1.913 8.863 -6.024) 10.886 16.074 ( 0.127 -1.868 1.197) 2.222 16.092 ( -0.052 -1.898 0.833) 2.073 16.096 ( 0.118 -2.145 -0.459) 2.197 16.112 ( -0.363 -2.010 -0.744) 2.173 16.156 ( 0.259 -1.576 0.615) 1.712 16.174 ( 0.494 -1.762 -0.886) 2.033 16.200 ( -0.302 -1.794 0.332) 1.849 16.206 ( -0.184 -1.910 -0.199) 1.930 17.228 ( 1.311 -5.914 4.478) 7.533 17.263 ( -0.301 -4.911 4.429) 6.620 17.338 ( -0.037 -6.657 -3.586) 7.562 17.365 ( 0.979 -5.877 -3.326) 6.823 17.507 ( -0.741 -4.764 3.451) 5.929 17.544 ( -3.978 -6.545 2.328) 8.005 17.584 ( 0.992 -7.328 -2.744) 7.888 17.643 ( -3.597 -8.308 -4.991) 10.338 17.827 ( 1.096 0.608 4.265) 4.445 17.886 ( 0.928 0.280 0.978) 1.377 17.940 ( -1.029 -0.000 -1.762) 2.041 17.985 ( -2.654 -1.021 -3.822) 4.764 18.163 ( 7.495 1.185 1.289) 7.697 18.199 ( 7.657 -2.323 -2.838) 8.490 18.296 ( -4.833 4.821 1.644) 7.021 18.318 ( -4.265 1.034 0.180) 4.392 18.547 ( 7.066 -1.147 9.285) 11.725 18.797 ( 3.940 -10.774 -11.878) 16.513 18.834 ( -8.926 0.202 9.212) 12.829 19.048 ( -7.867 -6.448 -9.586) 13.977 19.225 ( 7.190 5.197 8.546) 12.319 19.338 ( -4.279 4.906 7.692) 10.077 19.416 ( 7.516 0.124 -8.667) 11.473 19.522 ( -3.944 0.469 -9.099) 9.928 ======================= Grid point 66 (29/30) ======================= q-point: ( 0.00 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 46 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.913 ( 0.000 -4.508 -1.181) 4.661 0.990 ( 0.000 -11.071 -6.824) 13.005 1.345 ( 0.000 -3.192 -1.687) 3.610 1.350 ( 0.000 -3.742 -3.057) 4.832 1.681 ( 0.000 -1.991 -1.676) 2.603 1.683 ( 0.000 -1.958 -1.530) 2.485 1.935 ( 0.000 1.277 1.257) 1.792 1.962 ( 0.000 -1.689 -1.161) 2.049 2.185 ( 0.000 6.598 2.879) 7.199 2.264 ( 0.000 3.243 -2.788) 4.277 2.327 ( 0.000 1.156 -1.599) 1.973 2.330 ( 0.000 4.452 -0.474) 4.477 2.516 ( 0.000 -2.940 -0.261) 2.952 2.526 ( 0.000 -4.221 -0.736) 4.285 2.596 ( 0.000 1.445 1.408) 2.018 2.611 ( 0.000 -0.432 0.367) 0.567 2.677 ( 0.000 5.903 2.121) 6.273 2.700 ( 0.000 2.917 0.814) 3.029 2.742 ( 0.000 3.197 2.830) 4.270 2.765 ( 0.000 0.485 3.184) 3.221 2.829 ( 0.000 1.110 1.221) 1.650 2.838 ( 0.000 1.582 -2.316) 2.805 2.920 ( 0.000 4.944 2.330) 5.466 2.976 ( 0.000 -1.462 -2.397) 2.808 3.075 ( 0.000 0.967 0.982) 1.378 3.084 ( 0.000 0.654 0.758) 1.001 3.105 ( 0.000 4.730 -0.633) 4.772 3.116 ( 0.000 4.412 -0.632) 4.457 3.267 ( 0.000 1.508 -0.221) 1.524 3.268 ( 0.000 -0.533 -0.229) 0.579 3.308 ( 0.000 0.155 -0.518) 0.541 3.312 ( 0.000 2.031 -2.977) 3.603 3.402 ( 0.000 1.992 2.178) 2.951 3.416 ( 0.000 3.385 1.690) 3.784 3.502 ( 0.000 2.135 0.509) 2.195 3.512 ( 0.000 -2.138 0.560) 2.210 3.529 ( 0.000 -2.374 3.063) 3.875 3.565 ( 0.000 -0.357 -0.155) 0.389 3.614 ( 0.000 -2.879 0.416) 2.909 3.627 ( 0.000 -4.517 -0.446) 4.539 3.732 ( 0.000 -1.604 0.913) 1.846 3.741 ( 0.000 -0.388 1.368) 1.422 3.797 ( 0.000 -0.892 -1.237) 1.525 3.800 ( 0.000 0.572 -1.943) 2.026 3.828 ( 0.000 -0.456 1.225) 1.307 3.857 ( 0.000 -1.731 -1.108) 2.055 3.977 ( 0.000 2.910 1.506) 3.277 4.018 ( 0.000 -0.240 -1.426) 1.446 4.061 ( 0.000 -2.942 0.817) 3.053 4.089 ( 0.000 -4.223 -2.738) 5.033 4.154 ( 0.000 -1.264 0.047) 1.265 4.169 ( 0.000 -4.076 -0.406) 4.096 4.265 ( 0.000 3.515 -2.253) 4.175 4.280 ( 0.000 1.806 -1.345) 2.252 4.363 ( 0.000 4.196 -1.600) 4.491 4.377 ( 0.000 3.783 -3.917) 5.446 4.502 ( 0.000 4.241 0.315) 4.252 4.512 ( 0.000 2.691 -0.589) 2.754 4.568 ( 0.000 4.096 1.663) 4.421 4.579 ( 0.000 1.958 0.987) 2.193 4.688 ( 0.000 2.494 1.035) 2.700 4.708 ( 0.000 -2.027 -0.203) 2.037 4.749 ( 0.000 4.263 2.928) 5.172 4.805 ( 0.000 3.815 0.179) 3.819 4.841 ( 0.000 1.433 2.592) 2.962 4.873 ( 0.000 -0.144 0.472) 0.494 4.915 ( 0.000 1.996 -1.293) 2.378 4.950 ( 0.000 0.142 -2.981) 2.985 5.086 ( 0.000 2.947 0.561) 3.000 5.105 ( 0.000 2.607 -0.909) 2.761 5.247 ( 0.000 4.235 1.137) 4.385 5.272 ( 0.000 2.237 -1.018) 2.458 5.535 ( 0.000 7.477 3.306) 8.175 5.546 ( 0.000 4.723 1.528) 4.965 5.573 ( 0.000 4.862 -0.265) 4.870 5.609 ( 0.000 6.934 -2.458) 7.356 5.655 ( 0.000 -0.283 0.405) 0.494 5.656 ( 0.000 1.527 -0.399) 1.578 5.753 ( 0.000 3.627 1.319) 3.859 5.812 ( 0.000 2.420 -3.192) 4.006 5.848 ( 0.000 1.237 0.015) 1.237 5.851 ( 0.000 1.144 -0.423) 1.220 5.912 ( 0.000 -1.922 0.410) 1.965 5.945 ( 0.000 -1.888 -1.765) 2.584 6.029 ( 0.000 -4.724 0.041) 4.725 6.038 ( 0.000 -4.982 -0.083) 4.983 6.086 ( 0.000 0.775 3.036) 3.134 6.114 ( 0.000 -2.172 0.653) 2.268 6.165 ( 0.000 -2.196 1.461) 2.638 6.193 ( 0.000 -3.899 -0.403) 3.920 6.291 ( 0.000 -1.999 1.134) 2.298 6.298 ( 0.000 -2.433 1.162) 2.696 6.361 ( 0.000 0.896 1.145) 1.454 6.392 ( 0.000 -1.055 -0.248) 1.084 6.502 ( 0.000 -1.396 -2.087) 2.511 6.508 ( 0.000 -3.304 -1.649) 3.692 6.575 ( 0.000 -2.947 0.399) 2.974 6.576 ( 0.000 -2.206 0.293) 2.225 6.605 ( 0.000 0.558 -0.025) 0.559 6.625 ( 0.000 -0.687 -1.889) 2.010 6.858 ( 0.000 0.657 1.378) 1.527 6.872 ( 0.000 -0.599 0.264) 0.654 6.932 ( 0.000 1.192 0.928) 1.511 6.957 ( 0.000 0.329 -1.077) 1.126 7.032 ( 0.000 -2.281 0.963) 2.475 7.056 ( 0.000 -0.641 0.998) 1.186 7.066 ( 0.000 -2.464 -1.638) 2.959 7.069 ( 0.000 -0.891 0.734) 1.154 7.119 ( 0.000 0.709 -2.023) 2.143 7.138 ( 0.000 -1.962 -3.474) 3.989 7.183 ( 0.000 -0.782 -0.862) 1.163 7.198 ( 0.000 -2.257 -2.209) 3.158 7.700 ( 0.000 1.049 0.331) 1.100 7.700 ( 0.000 1.050 0.330) 1.101 7.764 ( 0.000 1.139 -0.081) 1.142 7.768 ( 0.000 0.917 -0.441) 1.017 7.903 ( 0.000 1.537 0.497) 1.615 7.907 ( 0.000 1.026 0.116) 1.033 7.945 ( 0.000 2.000 -0.619) 2.094 7.954 ( 0.000 1.340 -1.406) 1.942 9.046 ( 0.000 1.361 -0.079) 1.363 9.061 ( 0.000 -0.001 -1.359) 1.359 9.129 ( 0.000 -1.050 -0.449) 1.142 9.132 ( 0.000 -1.364 -0.688) 1.528 9.233 ( 0.000 -0.328 -1.303) 1.344 9.238 ( 0.000 -0.855 -1.819) 2.010 9.458 ( 0.000 0.073 0.406) 0.412 9.461 ( 0.000 0.578 0.615) 0.844 9.486 ( 0.000 -1.031 -0.793) 1.301 9.504 ( 0.000 -2.024 -2.189) 2.981 9.657 ( 0.000 0.646 0.723) 0.970 9.662 ( 0.000 -0.120 0.209) 0.241 9.714 ( 0.000 -1.009 0.324) 1.059 9.724 ( 0.000 -1.659 -0.515) 1.737 9.824 ( 0.000 -2.277 -0.010) 2.277 9.827 ( 0.000 -2.523 -0.131) 2.526 9.915 ( 0.000 -0.224 0.987) 1.012 9.917 ( 0.000 -0.296 0.700) 0.760 10.018 ( 0.000 0.482 1.109) 1.209 10.025 ( 0.000 0.204 0.216) 0.297 10.086 ( 0.000 0.537 -0.291) 0.611 10.091 ( 0.000 -0.335 -0.484) 0.589 10.219 ( 0.000 2.604 1.790) 3.159 10.238 ( 0.000 1.023 0.267) 1.057 11.295 ( 0.000 -0.096 1.529) 1.532 11.310 ( 0.000 -1.375 0.043) 1.376 11.331 ( 0.000 -0.212 2.705) 2.713 11.354 ( 0.000 -2.357 0.350) 2.383 11.386 ( 0.000 0.769 1.635) 1.806 11.414 ( 0.000 -1.683 0.035) 1.683 11.480 ( 0.000 -0.451 1.247) 1.326 11.487 ( 0.000 -1.334 0.644) 1.481 11.512 ( 0.000 0.927 1.095) 1.435 11.525 ( 0.000 0.131 0.255) 0.287 11.592 ( 0.000 1.917 0.711) 2.045 11.606 ( 0.000 0.609 -0.255) 0.660 11.648 ( 0.000 1.737 0.019) 1.737 11.659 ( 0.000 0.938 -1.048) 1.407 11.825 ( 0.000 1.020 2.316) 2.530 11.832 ( 0.000 0.204 1.870) 1.881 11.875 ( 0.000 0.767 0.670) 1.018 11.880 ( 0.000 -0.128 -0.023) 0.130 11.939 ( 0.000 -2.361 1.578) 2.839 11.948 ( 0.000 -2.869 -0.531) 2.918 11.989 ( 0.000 -1.401 -0.156) 1.410 11.999 ( 0.000 -2.589 -0.175) 2.595 12.122 ( 0.000 -0.244 0.843) 0.878 12.137 ( 0.000 -1.736 -0.757) 1.894 12.173 ( 0.000 3.063 0.768) 3.158 12.196 ( 0.000 0.847 -1.028) 1.332 12.287 ( 0.000 0.739 0.023) 0.740 12.292 ( 0.000 0.412 -0.142) 0.436 12.428 ( 0.000 1.245 0.821) 1.491 12.446 ( 0.000 -0.444 -0.341) 0.560 12.633 ( 0.000 3.073 1.812) 3.568 12.662 ( 0.000 0.903 -0.428) 0.999 12.742 ( 0.000 3.240 2.991) 4.409 12.752 ( 0.000 2.149 2.503) 3.299 12.960 ( 0.000 4.088 1.223) 4.267 12.983 ( 0.000 2.829 -0.242) 2.839 13.041 ( 0.000 2.103 -1.117) 2.381 13.043 ( 0.000 2.490 -1.316) 2.816 13.283 ( 0.000 7.155 -0.583) 7.179 13.322 ( 0.000 3.573 -3.891) 5.282 16.044 ( 0.000 -0.534 0.701) 0.881 16.051 ( 0.000 -1.162 0.070) 1.164 16.080 ( 0.000 -0.278 0.123) 0.304 16.086 ( 0.000 -0.891 -0.479) 1.011 16.131 ( 0.000 -0.418 0.077) 0.425 16.136 ( 0.000 -0.908 -0.406) 0.995 16.178 ( 0.000 -0.634 -0.189) 0.662 16.180 ( 0.000 -0.839 -0.411) 0.934 17.130 ( 0.000 -0.950 1.028) 1.400 17.177 ( 0.000 -4.634 -3.190) 5.626 17.245 ( 0.000 0.247 1.672) 1.690 17.284 ( 0.000 -1.319 -1.574) 2.053 17.420 ( 0.000 -5.562 1.069) 5.664 17.444 ( 0.000 -5.677 -0.725) 5.723 17.480 ( 0.000 -3.154 1.380) 3.443 17.499 ( 0.000 -5.326 -0.376) 5.340 17.838 ( 0.000 1.432 -0.356) 1.476 17.855 ( 0.000 -0.078 -1.868) 1.870 17.935 ( 0.000 -1.764 -1.042) 2.049 17.949 ( 0.000 -3.370 -2.506) 4.199 18.061 ( 0.000 0.708 1.402) 1.570 18.078 ( 0.000 -0.971 -0.161) 0.984 18.337 ( 0.000 -0.422 4.292) 4.313 18.399 ( 0.000 -3.997 -0.645) 4.049 18.517 ( 0.000 4.083 0.169) 4.087 18.558 ( 0.000 -2.000 -4.123) 4.583 19.068 ( 0.000 4.338 3.729) 5.720 19.133 ( 0.000 -1.479 -1.932) 2.433 19.227 ( 0.000 3.708 2.136) 4.279 19.280 ( 0.000 -0.883 -2.366) 2.526 19.484 ( 0.000 4.599 2.260) 5.124 19.550 ( 0.000 -1.618 -3.813) 4.142 ======================= Grid point 67 (30/30) ======================= q-point: ( 0.33 0.44 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 6.10e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.863 ( -2.711 -6.431 -2.206) 7.319 0.961 ( -2.113 -9.765 -10.160) 14.250 1.415 ( 7.859 -3.285 3.874) 9.358 1.441 ( 4.942 -3.045 -1.510) 5.998 1.591 ( -7.307 -3.273 -1.294) 8.111 1.671 ( -1.936 -1.524 -2.958) 3.850 1.932 ( 0.213 -0.117 1.059) 1.087 1.987 ( 1.372 -0.667 -2.168) 2.651 2.203 ( 1.823 5.331 1.611) 5.860 2.249 ( -2.902 2.765 0.820) 4.091 2.281 ( 0.618 2.827 -3.987) 4.926 2.324 ( -2.802 0.916 -4.938) 5.751 2.515 ( -0.512 1.207 1.779) 2.210 2.549 ( 1.350 2.899 -0.343) 3.216 2.597 ( 0.057 4.231 1.224) 4.405 2.612 ( -0.194 3.762 -0.351) 3.784 2.638 ( -1.176 0.031 3.064) 3.282 2.699 ( -0.351 -3.733 -1.871) 4.190 2.783 ( 1.983 2.727 3.317) 4.730 2.813 ( 0.687 0.572 0.999) 1.341 2.821 ( 3.920 2.567 5.071) 6.904 2.882 ( 5.704 -0.826 1.283) 5.905 2.944 ( -0.145 4.214 2.504) 4.903 2.999 ( -0.417 0.645 -0.259) 0.811 3.045 ( -3.008 3.119 0.748) 4.397 3.075 ( -1.848 2.062 -2.943) 4.041 3.095 ( -1.079 5.498 1.651) 5.841 3.131 ( 1.439 -1.166 -1.249) 2.234 3.160 ( -1.062 -0.163 0.460) 1.169 3.230 ( -3.538 -0.677 -4.402) 5.688 3.274 ( -3.293 -0.417 2.437) 4.118 3.350 ( 1.015 -2.191 -1.571) 2.880 3.395 ( -2.759 2.893 1.638) 4.320 3.444 ( 1.777 3.934 2.587) 5.032 3.484 ( -0.752 1.955 -1.869) 2.807 3.493 ( 2.174 3.850 -1.292) 4.606 3.571 ( 0.770 -0.814 1.166) 1.617 3.589 ( 1.927 -1.482 0.371) 2.459 3.619 ( -0.087 -2.323 -1.371) 2.698 3.635 ( 0.864 -3.160 -1.681) 3.682 3.707 ( -1.133 -1.257 2.962) 3.412 3.735 ( -0.604 -2.286 2.920) 3.757 3.767 ( -3.074 -2.049 0.746) 3.769 3.796 ( -1.100 -1.062 -1.064) 1.863 3.844 ( 2.566 0.394 0.080) 2.597 3.878 ( 2.895 -1.475 -1.490) 3.575 3.931 ( -3.714 -1.925 0.906) 4.280 3.978 ( -2.671 -0.514 -2.784) 3.892 4.102 ( 2.824 0.403 1.549) 3.246 4.144 ( 1.325 -1.849 0.597) 2.352 4.159 ( 0.670 -0.947 0.132) 1.168 4.176 ( 0.672 -2.753 -0.164) 2.839 4.260 ( -0.121 4.415 -4.897) 6.595 4.303 ( 2.608 0.589 -4.228) 5.002 4.352 ( 1.105 2.162 0.708) 2.529 4.384 ( -1.511 1.770 -2.653) 3.529 4.486 ( -1.742 5.045 1.494) 5.543 4.510 ( -0.638 4.312 -0.493) 4.387 4.587 ( 1.247 3.578 2.091) 4.328 4.608 ( 3.060 1.331 1.055) 3.500 4.664 ( -2.674 2.446 1.407) 3.888 4.705 ( 1.317 0.774 -0.214) 1.543 4.736 ( -1.003 0.870 0.749) 1.525 4.776 ( -1.942 2.188 -1.178) 3.154 4.865 ( 0.970 1.573 1.703) 2.513 4.893 ( 0.045 0.044 -0.031) 0.070 4.905 ( -0.092 2.180 -0.165) 2.188 4.934 ( -0.679 3.300 -1.963) 3.899 5.106 ( 1.910 3.797 1.998) 4.697 5.140 ( 3.172 2.789 -0.668) 4.276 5.209 ( -3.608 3.118 0.946) 4.862 5.248 ( -1.890 2.280 -2.135) 3.651 5.537 ( 0.008 6.191 3.228) 6.982 5.548 ( 0.207 6.370 2.318) 6.782 5.576 ( 0.307 4.438 -0.761) 4.514 5.607 ( -0.485 6.220 -2.066) 6.572 5.657 ( 1.240 0.854 0.883) 1.745 5.680 ( 1.231 1.501 0.805) 2.101 5.728 ( -1.762 3.261 -0.830) 3.798 5.782 ( -2.243 -0.772 -4.256) 4.873 5.865 ( 1.619 2.584 0.611) 3.110 5.877 ( 2.104 0.802 -0.475) 2.301 5.908 ( -0.973 -1.512 0.436) 1.850 5.941 ( -0.853 -2.194 -2.068) 3.134 6.033 ( 0.439 -3.265 1.404) 3.581 6.048 ( 0.780 -1.388 1.438) 2.145 6.072 ( -0.376 -2.304 0.808) 2.471 6.103 ( -0.985 -1.609 -0.113) 1.890 6.161 ( -0.559 -2.402 1.606) 2.942 6.197 ( 0.247 -4.866 -1.043) 4.983 6.274 ( -0.615 -1.907 2.179) 2.960 6.305 ( -0.432 0.217 0.728) 0.874 6.381 ( 2.215 -1.240 2.414) 3.503 6.431 ( 2.793 -0.715 -0.340) 2.903 6.486 ( -1.529 -4.290 -1.604) 4.829 6.510 ( -0.785 -2.951 -2.023) 3.663 6.558 ( 0.299 0.019 0.313) 0.433 6.569 ( -0.815 -0.268 -0.099) 0.863 6.589 ( -1.088 -1.254 -0.083) 1.663 6.616 ( -0.959 -1.993 -1.917) 2.927 6.867 ( 0.828 -0.217 0.955) 1.282 6.890 ( 1.124 -0.561 -0.718) 1.447 6.954 ( 1.112 0.674 0.346) 1.346 6.963 ( 0.897 -0.342 -0.021) 0.960 7.031 ( -0.715 0.132 1.964) 2.095 7.042 ( -0.019 0.064 0.880) 0.883 7.067 ( 1.064 -1.116 0.844) 1.758 7.095 ( -1.186 0.245 -1.173) 1.686 7.103 ( -0.691 -0.971 -1.024) 1.571 7.125 ( 0.631 -2.582 -2.363) 3.557 7.161 ( -1.875 -1.351 -1.725) 2.884 7.201 ( 0.113 -2.920 -4.066) 5.007 7.701 ( 0.079 0.946 0.599) 1.123 7.704 ( 0.250 0.754 0.327) 0.859 7.761 ( -0.225 1.110 -0.098) 1.136 7.768 ( -0.066 1.328 -0.667) 1.488 7.905 ( 0.310 1.086 1.039) 1.534 7.920 ( 0.808 1.811 0.358) 2.015 7.943 ( -0.153 1.697 -1.221) 2.096 7.949 ( -0.491 1.388 -1.474) 2.084 9.023 ( -0.870 0.776 -0.577) 1.301 9.038 ( -0.800 -0.504 -1.922) 2.142 9.157 ( -0.348 -0.345 -0.685) 0.842 9.165 ( -0.246 -0.688 -1.566) 1.728 9.263 ( 5.709 -0.257 0.153) 5.717 9.272 ( 6.054 -1.133 -0.594) 6.188 9.392 ( -6.391 0.109 0.710) 6.431 9.402 ( -6.293 -0.451 -0.108) 6.310 9.505 ( 1.122 -1.247 -0.797) 1.857 9.518 ( 0.993 -1.165 -1.793) 2.358 9.667 ( 1.374 0.106 0.736) 1.563 9.674 ( 1.028 0.083 -0.150) 1.043 9.700 ( -1.524 -0.948 0.068) 1.796 9.708 ( -1.332 -0.991 -0.447) 1.719 9.787 ( -1.635 -2.578 0.947) 3.196 9.805 ( -1.198 -1.871 -0.801) 2.361 9.949 ( 2.173 -0.707 2.103) 3.105 9.982 ( 4.274 0.145 -0.790) 4.348 10.005 ( -0.441 0.575 2.079) 2.202 10.033 ( -0.214 -0.329 -0.580) 0.701 10.065 ( -2.290 0.554 -0.239) 2.368 10.082 ( -0.281 -0.366 -1.299) 1.378 10.225 ( 0.462 2.590 2.354) 3.530 10.249 ( 0.650 1.370 0.260) 1.539 11.298 ( 0.097 -0.164 1.458) 1.470 11.314 ( 0.636 -1.299 0.195) 1.459 11.334 ( -0.313 0.056 2.072) 2.097 11.358 ( 0.520 -1.842 0.130) 1.919 11.401 ( 0.960 -0.405 2.727) 2.919 11.428 ( 1.516 -0.841 1.025) 2.014 11.463 ( -1.565 -0.583 0.416) 1.721 11.484 ( -0.227 -1.510 -1.302) 2.007 11.521 ( 0.486 1.212 2.057) 2.437 11.542 ( 1.505 0.192 0.589) 1.627 11.592 ( -1.217 0.716 0.606) 1.536 11.610 ( -1.416 1.017 -0.562) 1.832 11.629 ( 1.987 1.056 1.175) 2.538 11.654 ( 0.734 0.180 -0.110) 0.764 11.760 ( -5.475 0.377 2.169) 5.901 11.797 ( -3.781 0.232 -0.750) 3.862 11.874 ( 0.235 0.967 1.144) 1.516 11.892 ( 1.539 0.250 1.493) 2.158 11.926 ( -1.056 -3.024 -0.385) 3.226 11.943 ( 0.810 -1.965 -0.315) 2.148 11.978 ( -1.346 -0.775 0.832) 1.762 12.022 ( 1.768 -2.580 -1.845) 3.632 12.146 ( 1.184 0.902 1.916) 2.426 12.163 ( 1.099 -0.471 0.490) 1.292 12.177 ( 0.326 1.348 0.954) 1.684 12.213 ( 0.766 1.105 -1.911) 2.336 12.278 ( 0.681 0.735 1.026) 1.434 12.301 ( -0.066 0.244 -0.699) 0.743 12.428 ( 0.083 0.061 2.729) 2.730 12.496 ( 3.850 0.125 -2.812) 4.769 12.615 ( -1.777 2.783 3.579) 4.869 12.684 ( 1.964 1.943 -2.192) 3.527 12.739 ( 0.109 3.643 2.310) 4.315 12.759 ( 0.679 2.485 1.638) 3.052 12.830 ( -6.205 2.779 2.031) 7.095 12.869 ( -6.222 -0.030 -0.694) 6.261 13.145 ( 7.258 6.174 0.994) 9.581 13.188 ( 7.152 2.308 -2.669) 7.976 13.249 ( -3.645 6.802 -0.122) 7.719 13.290 ( -3.575 3.127 -3.591) 5.954 16.049 ( 0.445 -0.429 0.590) 0.854 16.057 ( 0.529 -1.129 -0.056) 1.248 16.069 ( -0.754 -0.560 0.492) 1.060 16.082 ( -0.453 -0.789 -0.452) 1.016 16.133 ( 0.298 -0.539 0.160) 0.636 16.147 ( 0.646 -0.744 -0.868) 1.313 16.173 ( -0.329 -0.649 -0.077) 0.732 16.176 ( -0.331 -0.866 -0.309) 0.978 17.150 ( 1.748 -0.874 1.157) 2.271 17.196 ( 1.574 -3.949 -2.506) 4.935 17.224 ( -1.938 -0.585 0.961) 2.241 17.273 ( -0.877 -3.068 -2.862) 4.287 17.400 ( -1.074 -4.054 1.434) 4.433 17.430 ( -0.831 -6.104 -1.061) 6.251 17.441 ( -2.442 -2.044 1.793) 3.654 17.477 ( -1.808 -5.282 -1.546) 5.793 17.854 ( 1.343 1.857 0.607) 2.370 17.883 ( 2.608 -0.346 -0.660) 2.713 17.927 ( -1.512 -1.140 -1.082) 2.181 17.960 ( -0.181 -0.904 -2.710) 2.862 18.119 ( 5.452 -2.336 1.556) 6.132 18.135 ( 5.927 -2.414 0.158) 6.401 18.281 ( -5.269 -1.054 2.968) 6.139 18.311 ( -6.504 -1.985 0.397) 6.811 18.624 ( 9.348 4.184 0.675) 10.264 18.680 ( 9.879 -1.950 -4.394) 10.986 18.899 ( -11.536 3.971 2.925) 12.546 18.966 ( -11.605 -2.613 -3.156) 12.307 19.342 ( 7.447 4.881 3.315) 9.501 19.408 ( 7.523 -1.381 -2.650) 8.095 19.449 ( -3.706 4.663 2.536) 6.474 19.516 ( -3.840 -1.547 -3.449) 5.388 =================== 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 3/29160 10.0 98.628 144.301 131.762 0.000 0.000 0.000 3/29160 20.0 10.589 23.298 18.939 0.000 0.000 0.000 3/29160 30.0 3.697 8.952 6.897 0.000 0.000 0.000 3/29160 40.0 1.980 5.051 3.730 0.000 0.000 0.000 3/29160 50.0 1.303 3.421 2.452 0.000 0.000 0.000 3/29160 60.0 0.961 2.565 1.800 0.000 0.000 0.000 3/29160 70.0 0.760 2.047 1.416 0.000 0.000 0.000 3/29160 80.0 0.630 1.706 1.167 0.000 0.000 0.000 3/29160 90.0 0.539 1.465 0.994 0.000 0.000 0.000 3/29160 100.0 0.473 1.287 0.867 0.000 0.000 0.000 3/29160 110.0 0.422 1.150 0.771 0.000 0.000 0.000 3/29160 120.0 0.383 1.043 0.695 0.000 0.000 0.000 3/29160 130.0 0.351 0.956 0.635 0.000 0.000 0.000 3/29160 140.0 0.324 0.884 0.585 0.000 0.000 0.000 3/29160 150.0 0.302 0.824 0.543 0.000 0.000 0.000 3/29160 160.0 0.283 0.773 0.508 0.000 0.000 0.000 3/29160 170.0 0.267 0.728 0.478 0.000 0.000 0.000 3/29160 180.0 0.253 0.690 0.452 0.000 0.000 0.000 3/29160 190.0 0.241 0.655 0.429 0.000 0.000 0.000 3/29160 200.0 0.230 0.625 0.408 0.000 0.000 0.000 3/29160 210.0 0.220 0.598 0.390 0.000 0.000 0.000 3/29160 220.0 0.211 0.573 0.374 0.000 0.000 0.000 3/29160 230.0 0.202 0.550 0.359 0.000 0.000 0.000 3/29160 240.0 0.195 0.530 0.345 0.000 0.000 0.000 3/29160 250.0 0.188 0.511 0.333 0.000 0.000 0.000 3/29160 260.0 0.182 0.493 0.321 0.000 0.000 0.000 3/29160 270.0 0.176 0.477 0.310 0.000 0.000 0.000 3/29160 280.0 0.170 0.462 0.300 0.000 0.000 0.000 3/29160 290.0 0.165 0.447 0.291 0.000 0.000 0.000 3/29160 300.0 0.160 0.434 0.283 0.000 0.000 0.000 3/29160 310.0 0.155 0.422 0.274 0.000 0.000 0.000 3/29160 320.0 0.151 0.410 0.267 0.000 0.000 0.000 3/29160 330.0 0.147 0.399 0.260 0.000 0.000 0.000 3/29160 340.0 0.143 0.388 0.253 0.000 0.000 0.000 3/29160 350.0 0.140 0.378 0.246 0.000 0.000 0.000 3/29160 360.0 0.136 0.369 0.240 0.000 0.000 0.000 3/29160 370.0 0.133 0.360 0.234 0.000 0.000 0.000 3/29160 380.0 0.130 0.351 0.229 0.000 0.000 0.000 3/29160 390.0 0.127 0.343 0.224 0.000 0.000 0.000 3/29160 400.0 0.124 0.335 0.218 0.000 0.000 0.000 3/29160 410.0 0.121 0.327 0.214 0.000 0.000 0.000 3/29160 420.0 0.118 0.320 0.209 0.000 0.000 0.000 3/29160 430.0 0.116 0.313 0.205 0.000 0.000 0.000 3/29160 440.0 0.113 0.307 0.200 0.000 0.000 0.000 3/29160 450.0 0.111 0.301 0.196 0.000 0.000 0.000 3/29160 460.0 0.109 0.295 0.192 0.000 0.000 0.000 3/29160 470.0 0.107 0.289 0.189 0.000 0.000 0.000 3/29160 480.0 0.105 0.283 0.185 0.000 0.000 0.000 3/29160 490.0 0.103 0.278 0.182 0.000 0.000 0.000 3/29160 500.0 0.101 0.273 0.178 0.000 0.000 0.000 3/29160 510.0 0.099 0.268 0.175 0.000 0.000 0.000 3/29160 520.0 0.097 0.263 0.172 0.000 0.000 0.000 3/29160 530.0 0.096 0.258 0.169 0.000 0.000 0.000 3/29160 540.0 0.094 0.254 0.166 0.000 0.000 0.000 3/29160 550.0 0.092 0.249 0.163 0.000 0.000 0.000 3/29160 560.0 0.091 0.245 0.160 0.000 0.000 0.000 3/29160 570.0 0.089 0.241 0.158 0.000 0.000 0.000 3/29160 580.0 0.088 0.237 0.155 0.000 0.000 0.000 3/29160 590.0 0.086 0.233 0.153 0.000 0.000 0.000 3/29160 600.0 0.085 0.230 0.150 0.000 0.000 0.000 3/29160 610.0 0.084 0.226 0.148 0.000 0.000 0.000 3/29160 620.0 0.082 0.223 0.146 0.000 0.000 0.000 3/29160 630.0 0.081 0.219 0.143 0.000 0.000 0.000 3/29160 640.0 0.080 0.216 0.141 0.000 0.000 0.000 3/29160 650.0 0.079 0.213 0.139 0.000 0.000 0.000 3/29160 660.0 0.078 0.210 0.137 0.000 0.000 0.000 3/29160 670.0 0.077 0.207 0.135 0.000 0.000 0.000 3/29160 680.0 0.075 0.204 0.133 0.000 0.000 0.000 3/29160 690.0 0.074 0.201 0.132 0.000 0.000 0.000 3/29160 700.0 0.073 0.198 0.130 0.000 0.000 0.000 3/29160 710.0 0.072 0.195 0.128 0.000 0.000 0.000 3/29160 720.0 0.071 0.193 0.126 0.000 0.000 0.000 3/29160 730.0 0.071 0.190 0.125 0.000 0.000 0.000 3/29160 740.0 0.070 0.188 0.123 0.000 0.000 0.000 3/29160 750.0 0.069 0.185 0.122 0.000 0.000 0.000 3/29160 760.0 0.068 0.183 0.120 0.000 0.000 0.000 3/29160 770.0 0.067 0.181 0.118 0.000 0.000 0.000 3/29160 780.0 0.066 0.179 0.117 0.000 0.000 0.000 3/29160 790.0 0.065 0.176 0.116 0.000 0.000 0.000 3/29160 800.0 0.065 0.174 0.114 0.000 0.000 0.000 3/29160 810.0 0.064 0.172 0.113 0.000 0.000 0.000 3/29160 820.0 0.063 0.170 0.112 0.000 0.000 0.000 3/29160 830.0 0.062 0.168 0.110 0.000 0.000 0.000 3/29160 840.0 0.062 0.166 0.109 0.000 0.000 0.000 3/29160 850.0 0.061 0.164 0.108 0.000 0.000 0.000 3/29160 860.0 0.060 0.162 0.106 0.000 0.000 0.000 3/29160 870.0 0.060 0.161 0.105 0.000 0.000 0.000 3/29160 880.0 0.059 0.159 0.104 0.000 0.000 0.000 3/29160 890.0 0.058 0.157 0.103 0.000 0.000 0.000 3/29160 900.0 0.058 0.155 0.102 0.000 0.000 0.000 3/29160 910.0 0.057 0.154 0.101 0.000 0.000 0.000 3/29160 920.0 0.056 0.152 0.100 0.000 0.000 0.000 3/29160 930.0 0.056 0.150 0.099 0.000 0.000 0.000 3/29160 940.0 0.055 0.149 0.098 0.000 0.000 0.000 3/29160 950.0 0.055 0.147 0.097 0.000 0.000 0.000 3/29160 960.0 0.054 0.146 0.096 0.000 0.000 0.000 3/29160 970.0 0.054 0.144 0.095 0.000 0.000 0.000 3/29160 980.0 0.053 0.143 0.094 0.000 0.000 0.000 3/29160 990.0 0.052 0.142 0.093 0.000 0.000 0.000 3/29160 1000.0 0.052 0.140 0.092 0.000 0.000 0.000 3/29160 Thermal conductivity related properties were written into "kappa-m395.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:17:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|