----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 00:48:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) Number of symmetry operations in supercell: 8 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.154121900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.552092009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713009820000000 Atomic positions (fractional): *1 Li 0.68078252391710 0.28555401929627 0.77704082147702 6.941 2 Li 0.31921747608290 0.28555401929627 0.72295917852298 6.941 3 Li 0.81921747608290 0.21444598070373 0.27704082147702 6.941 4 Li 0.18078252391710 0.21444598070373 0.22295917852298 6.941 5 Li 0.31921747608290 0.71444598070373 0.22295917852298 6.941 6 Li 0.68078252391710 0.71444598070373 0.27704082147702 6.941 7 Li 0.18078252391710 0.78555401929627 0.72295917852298 6.941 8 Li 0.81921747608290 0.78555401929627 0.77704082147702 6.941 *9 O 0.68189364338623 0.33280041967342 0.25719060251128 15.999 *10 O 0.77692734575394 0.16995027867135 0.48508657432612 15.999 11 O 0.22307265424606 0.16995027867135 0.01491342567388 15.999 12 O 0.72307265424606 0.33004972132865 0.98508657432612 15.999 13 O 0.27692734575394 0.33004972132865 0.51491342567388 15.999 14 O 0.22307265424606 0.83004972132865 0.51491342567388 15.999 15 O 0.77692734575394 0.83004972132865 0.98508657432612 15.999 16 O 0.27692734575394 0.66995027867135 0.01491342567388 15.999 17 O 0.72307265424606 0.66995027867135 0.48508657432612 15.999 *18 O 0.96459607969145 0.14828824235075 0.56879084947903 15.999 19 O 0.03540392030855 0.14828824235075 0.93120915052097 15.999 20 O 0.53540392030855 0.35171175764925 0.06879084947903 15.999 21 O 0.46459607969145 0.35171175764925 0.43120915052097 15.999 22 O 0.03540392030855 0.85171175764925 0.43120915052097 15.999 23 O 0.96459607969145 0.85171175764925 0.06879084947903 15.999 24 O 0.46459607969145 0.64828824235075 0.93120915052097 15.999 25 O 0.53540392030855 0.64828824235075 0.56879084947903 15.999 26 O 0.81810635661377 0.16719958032658 0.75719060251128 15.999 27 O 0.18189364338623 0.83280041967342 0.24280939748872 15.999 28 O 0.31810635661377 0.33280041967342 0.24280939748872 15.999 *29 O 0.57888911732385 0.15125177829960 0.66827313578722 15.999 30 O 0.42111088267615 0.15125177829960 0.83172686421278 15.999 31 O 0.92111088267615 0.34874822170040 0.16827313578722 15.999 32 O 0.07888911732385 0.34874822170040 0.33172686421278 15.999 33 O 0.42111088267615 0.84874822170040 0.33172686421278 15.999 34 O 0.57888911732385 0.84874822170040 0.16827313578722 15.999 35 O 0.07888911732385 0.65125177829960 0.83172686421278 15.999 36 O 0.92111088267615 0.65125177829960 0.66827313578722 15.999 *37 O 0.56269773303540 0.95337588912653 0.85936600057994 15.999 38 O 0.43730226696460 0.95337588912653 0.64063399942006 15.999 39 O 0.93730226696460 0.54662411087347 0.35936600057994 15.999 40 O 0.06269773303540 0.54662411087347 0.14063399942006 15.999 41 O 0.43730226696460 0.04662411087347 0.14063399942006 15.999 42 O 0.56269773303540 0.04662411087347 0.35936600057994 15.999 43 O 0.06269773303540 0.45337588912653 0.64063399942006 15.999 44 O 0.93730226696460 0.45337588912653 0.85936600057994 15.999 *45 O 0.66012304636498 0.43225563130872 0.60756011455525 15.999 46 O 0.33987695363502 0.43225563130872 0.89243988544475 15.999 47 O 0.83987695363502 0.06774436869128 0.10756011455525 15.999 48 O 0.16012304636498 0.06774436869128 0.39243988544475 15.999 49 O 0.33987695363502 0.56774436869128 0.39243988544475 15.999 50 O 0.66012304636498 0.56774436869128 0.10756011455525 15.999 51 O 0.16012304636498 0.93225563130872 0.89243988544475 15.999 52 O 0.83987695363502 0.93225563130872 0.60756011455525 15.999 53 O 0.68189364338623 0.66719958032658 0.75719060251128 15.999 54 O 0.31810635661377 0.66719958032658 0.74280939748872 15.999 55 O 0.81810635661377 0.83280041967342 0.25719060251128 15.999 56 O 0.18189364338623 0.16719958032658 0.74280939748872 15.999 *57 Mg 0.38934153860519 0.24607953682813 0.04141709581834 24.305 58 Mg 0.61065846139480 0.24607953682813 0.45858290418166 24.305 59 Mg 0.88934153860520 0.25392046317187 0.95858290418166 24.305 60 Mg 0.11065846139480 0.25392046317187 0.54141709581834 24.305 61 Mg 0.38934153860519 0.75392046317187 0.54141709581834 24.305 62 Mg 0.61065846139480 0.75392046317187 0.95858290418166 24.305 63 Mg 0.11065846139480 0.74607953682813 0.04141709581834 24.305 64 Mg 0.88934153860520 0.74607953682813 0.45858290418166 24.305 *65 S 0.50000000000000 0.95294924648219 0.25000000000000 32.065 66 S 0.00000000000000 0.54705075351781 0.75000000000000 32.065 *67 S 0.64848641095398 0.60493813633513 0.60465051255475 32.065 68 S 0.00000000000000 0.45294924648219 0.25000000000000 32.065 69 S 0.50000000000000 0.04705075351781 0.75000000000000 32.065 70 S 0.35151358904602 0.60493813633513 0.89534948744525 32.065 71 S 0.85151358904602 0.89506186366487 0.10465051255475 32.065 72 S 0.14848641095398 0.89506186366487 0.39534948744525 32.065 73 S 0.35151358904602 0.39506186366487 0.39534948744525 32.065 74 S 0.64848641095398 0.39506186366487 0.10465051255475 32.065 75 S 0.14848641095398 0.10493813633513 0.89534948744525 32.065 76 S 0.85151358904602 0.10493813633513 0.60465051255475 32.065 -------------------------------- unit cell --------------------------------- Lattice vectors: a 12.154121900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.552092009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713009820000000 Atomic positions (fractional): *1 Li 0.68078252391710 0.28555401929627 0.77704082147702 6.941 > 1 2 Li 0.31921747608290 0.28555401929627 0.72295917852298 6.941 > 2 3 Li 0.81921747608290 0.21444598070373 0.27704082147702 6.941 > 3 4 Li 0.18078252391710 0.21444598070373 0.22295917852298 6.941 > 4 5 Li 0.31921747608290 0.71444598070373 0.22295917852298 6.941 > 5 6 Li 0.68078252391710 0.71444598070373 0.27704082147702 6.941 > 6 7 Li 0.18078252391710 0.78555401929627 0.72295917852298 6.941 > 7 8 Li 0.81921747608290 0.78555401929627 0.77704082147702 6.941 > 8 *9 O 0.68189364338623 0.33280041967342 0.25719060251128 15.999 > 9 *10 O 0.77692734575394 0.16995027867135 0.48508657432612 15.999 > 10 11 O 0.22307265424606 0.16995027867135 0.01491342567388 15.999 > 11 12 O 0.72307265424606 0.33004972132865 0.98508657432612 15.999 > 12 13 O 0.27692734575394 0.33004972132865 0.51491342567388 15.999 > 13 14 O 0.22307265424606 0.83004972132865 0.51491342567388 15.999 > 14 15 O 0.77692734575394 0.83004972132865 0.98508657432612 15.999 > 15 16 O 0.27692734575394 0.66995027867135 0.01491342567388 15.999 > 16 17 O 0.72307265424606 0.66995027867135 0.48508657432612 15.999 > 17 *18 O 0.96459607969145 0.14828824235075 0.56879084947903 15.999 > 18 19 O 0.03540392030855 0.14828824235075 0.93120915052097 15.999 > 19 20 O 0.53540392030855 0.35171175764925 0.06879084947903 15.999 > 20 21 O 0.46459607969145 0.35171175764925 0.43120915052097 15.999 > 21 22 O 0.03540392030855 0.85171175764925 0.43120915052097 15.999 > 22 23 O 0.96459607969145 0.85171175764925 0.06879084947903 15.999 > 23 24 O 0.46459607969145 0.64828824235075 0.93120915052097 15.999 > 24 25 O 0.53540392030855 0.64828824235075 0.56879084947903 15.999 > 25 26 O 0.81810635661377 0.16719958032658 0.75719060251128 15.999 > 26 27 O 0.18189364338623 0.83280041967342 0.24280939748872 15.999 > 27 28 O 0.31810635661377 0.33280041967342 0.24280939748872 15.999 > 28 *29 O 0.57888911732385 0.15125177829960 0.66827313578722 15.999 > 29 30 O 0.42111088267615 0.15125177829960 0.83172686421278 15.999 > 30 31 O 0.92111088267615 0.34874822170040 0.16827313578722 15.999 > 31 32 O 0.07888911732385 0.34874822170040 0.33172686421278 15.999 > 32 33 O 0.42111088267615 0.84874822170040 0.33172686421278 15.999 > 33 34 O 0.57888911732385 0.84874822170040 0.16827313578722 15.999 > 34 35 O 0.07888911732385 0.65125177829960 0.83172686421278 15.999 > 35 36 O 0.92111088267615 0.65125177829960 0.66827313578722 15.999 > 36 *37 O 0.56269773303540 0.95337588912653 0.85936600057994 15.999 > 37 38 O 0.43730226696460 0.95337588912653 0.64063399942006 15.999 > 38 39 O 0.93730226696460 0.54662411087347 0.35936600057994 15.999 > 39 40 O 0.06269773303540 0.54662411087347 0.14063399942006 15.999 > 40 41 O 0.43730226696460 0.04662411087347 0.14063399942006 15.999 > 41 42 O 0.56269773303540 0.04662411087347 0.35936600057994 15.999 > 42 43 O 0.06269773303540 0.45337588912653 0.64063399942006 15.999 > 43 44 O 0.93730226696460 0.45337588912653 0.85936600057994 15.999 > 44 *45 O 0.66012304636498 0.43225563130872 0.60756011455525 15.999 > 45 46 O 0.33987695363502 0.43225563130872 0.89243988544475 15.999 > 46 47 O 0.83987695363502 0.06774436869128 0.10756011455525 15.999 > 47 48 O 0.16012304636498 0.06774436869128 0.39243988544475 15.999 > 48 49 O 0.33987695363502 0.56774436869128 0.39243988544475 15.999 > 49 50 O 0.66012304636498 0.56774436869128 0.10756011455525 15.999 > 50 51 O 0.16012304636498 0.93225563130872 0.89243988544475 15.999 > 51 52 O 0.83987695363502 0.93225563130872 0.60756011455525 15.999 > 52 53 O 0.68189364338623 0.66719958032658 0.75719060251128 15.999 > 53 54 O 0.31810635661377 0.66719958032658 0.74280939748872 15.999 > 54 55 O 0.81810635661377 0.83280041967342 0.25719060251128 15.999 > 55 56 O 0.18189364338623 0.16719958032658 0.74280939748872 15.999 > 56 *57 Mg 0.38934153860519 0.24607953682813 0.04141709581834 24.305 > 57 58 Mg 0.61065846139480 0.24607953682813 0.45858290418166 24.305 > 58 59 Mg 0.88934153860520 0.25392046317187 0.95858290418166 24.305 > 59 60 Mg 0.11065846139480 0.25392046317187 0.54141709581834 24.305 > 60 61 Mg 0.38934153860519 0.75392046317187 0.54141709581834 24.305 > 61 62 Mg 0.61065846139480 0.75392046317187 0.95858290418166 24.305 > 62 63 Mg 0.11065846139480 0.74607953682813 0.04141709581834 24.305 > 63 64 Mg 0.88934153860520 0.74607953682813 0.45858290418166 24.305 > 64 *65 S 0.50000000000000 0.95294924648219 0.25000000000000 32.065 > 65 66 S 0.00000000000000 0.54705075351781 0.75000000000000 32.065 > 66 *67 S 0.64848641095398 0.60493813633513 0.60465051255475 32.065 > 67 68 S 0.00000000000000 0.45294924648219 0.25000000000000 32.065 > 68 69 S 0.50000000000000 0.04705075351781 0.75000000000000 32.065 > 69 70 S 0.35151358904602 0.60493813633513 0.89534948744525 32.065 > 70 71 S 0.85151358904602 0.89506186366487 0.10465051255475 32.065 > 71 72 S 0.14848641095398 0.89506186366487 0.39534948744525 32.065 > 72 73 S 0.35151358904602 0.39506186366487 0.39534948744525 32.065 > 73 74 S 0.64848641095398 0.39506186366487 0.10465051255475 32.065 > 74 75 S 0.14848641095398 0.10493813633513 0.89534948744525 32.065 > 75 76 S 0.85151358904602 0.10493813633513 0.60465051255475 32.065 > 76 -------------------------------- super cell -------------------------------- Lattice vectors: a 12.154121900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.552092009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713009820000000 Atomic positions (fractional): *1 Li 0.68078252391710 0.28555401929627 0.77704082147702 6.941 > 1 2 Li 0.31921747608290 0.28555401929627 0.72295917852298 6.941 > 2 3 Li 0.81921747608290 0.21444598070373 0.27704082147702 6.941 > 3 4 Li 0.18078252391710 0.21444598070373 0.22295917852298 6.941 > 4 5 Li 0.31921747608290 0.71444598070373 0.22295917852298 6.941 > 5 6 Li 0.68078252391710 0.71444598070373 0.27704082147702 6.941 > 6 7 Li 0.18078252391710 0.78555401929627 0.72295917852298 6.941 > 7 8 Li 0.81921747608290 0.78555401929627 0.77704082147702 6.941 > 8 *9 O 0.68189364338623 0.33280041967342 0.25719060251128 15.999 > 9 *10 O 0.77692734575394 0.16995027867135 0.48508657432612 15.999 > 10 11 O 0.22307265424606 0.16995027867135 0.01491342567388 15.999 > 11 12 O 0.72307265424606 0.33004972132865 0.98508657432612 15.999 > 12 13 O 0.27692734575394 0.33004972132865 0.51491342567388 15.999 > 13 14 O 0.22307265424606 0.83004972132865 0.51491342567388 15.999 > 14 15 O 0.77692734575394 0.83004972132865 0.98508657432612 15.999 > 15 16 O 0.27692734575394 0.66995027867135 0.01491342567388 15.999 > 16 17 O 0.72307265424606 0.66995027867135 0.48508657432612 15.999 > 17 *18 O 0.96459607969145 0.14828824235075 0.56879084947903 15.999 > 18 19 O 0.03540392030855 0.14828824235075 0.93120915052097 15.999 > 19 20 O 0.53540392030855 0.35171175764925 0.06879084947903 15.999 > 20 21 O 0.46459607969145 0.35171175764925 0.43120915052097 15.999 > 21 22 O 0.03540392030855 0.85171175764925 0.43120915052097 15.999 > 22 23 O 0.96459607969145 0.85171175764925 0.06879084947903 15.999 > 23 24 O 0.46459607969145 0.64828824235075 0.93120915052097 15.999 > 24 25 O 0.53540392030855 0.64828824235075 0.56879084947903 15.999 > 25 26 O 0.81810635661377 0.16719958032658 0.75719060251128 15.999 > 26 27 O 0.18189364338623 0.83280041967342 0.24280939748872 15.999 > 27 28 O 0.31810635661377 0.33280041967342 0.24280939748872 15.999 > 28 *29 O 0.57888911732385 0.15125177829960 0.66827313578722 15.999 > 29 30 O 0.42111088267615 0.15125177829960 0.83172686421278 15.999 > 30 31 O 0.92111088267615 0.34874822170040 0.16827313578722 15.999 > 31 32 O 0.07888911732385 0.34874822170040 0.33172686421278 15.999 > 32 33 O 0.42111088267615 0.84874822170040 0.33172686421278 15.999 > 33 34 O 0.57888911732385 0.84874822170040 0.16827313578722 15.999 > 34 35 O 0.07888911732385 0.65125177829960 0.83172686421278 15.999 > 35 36 O 0.92111088267615 0.65125177829960 0.66827313578722 15.999 > 36 *37 O 0.56269773303540 0.95337588912653 0.85936600057994 15.999 > 37 38 O 0.43730226696460 0.95337588912653 0.64063399942006 15.999 > 38 39 O 0.93730226696460 0.54662411087347 0.35936600057994 15.999 > 39 40 O 0.06269773303540 0.54662411087347 0.14063399942006 15.999 > 40 41 O 0.43730226696460 0.04662411087347 0.14063399942006 15.999 > 41 42 O 0.56269773303540 0.04662411087347 0.35936600057994 15.999 > 42 43 O 0.06269773303540 0.45337588912653 0.64063399942006 15.999 > 43 44 O 0.93730226696460 0.45337588912653 0.85936600057994 15.999 > 44 *45 O 0.66012304636498 0.43225563130872 0.60756011455525 15.999 > 45 46 O 0.33987695363502 0.43225563130872 0.89243988544475 15.999 > 46 47 O 0.83987695363502 0.06774436869128 0.10756011455525 15.999 > 47 48 O 0.16012304636498 0.06774436869128 0.39243988544475 15.999 > 48 49 O 0.33987695363502 0.56774436869128 0.39243988544475 15.999 > 49 50 O 0.66012304636498 0.56774436869128 0.10756011455525 15.999 > 50 51 O 0.16012304636498 0.93225563130872 0.89243988544475 15.999 > 51 52 O 0.83987695363502 0.93225563130872 0.60756011455525 15.999 > 52 53 O 0.68189364338623 0.66719958032658 0.75719060251128 15.999 > 53 54 O 0.31810635661377 0.66719958032658 0.74280939748872 15.999 > 54 55 O 0.81810635661377 0.83280041967342 0.25719060251128 15.999 > 55 56 O 0.18189364338623 0.16719958032658 0.74280939748872 15.999 > 56 *57 Mg 0.38934153860519 0.24607953682813 0.04141709581834 24.305 > 57 58 Mg 0.61065846139480 0.24607953682813 0.45858290418166 24.305 > 58 59 Mg 0.88934153860520 0.25392046317187 0.95858290418166 24.305 > 59 60 Mg 0.11065846139480 0.25392046317187 0.54141709581834 24.305 > 60 61 Mg 0.38934153860519 0.75392046317187 0.54141709581834 24.305 > 61 62 Mg 0.61065846139480 0.75392046317187 0.95858290418166 24.305 > 62 63 Mg 0.11065846139480 0.74607953682813 0.04141709581834 24.305 > 63 64 Mg 0.88934153860520 0.74607953682813 0.45858290418166 24.305 > 64 *65 S 0.50000000000000 0.95294924648219 0.25000000000000 32.065 > 65 66 S 0.00000000000000 0.54705075351781 0.75000000000000 32.065 > 66 *67 S 0.64848641095398 0.60493813633513 0.60465051255475 32.065 > 67 68 S 0.00000000000000 0.45294924648219 0.25000000000000 32.065 > 68 69 S 0.50000000000000 0.04705075351781 0.75000000000000 32.065 > 69 70 S 0.35151358904602 0.60493813633513 0.89534948744525 32.065 > 70 71 S 0.85151358904602 0.89506186366487 0.10465051255475 32.065 > 71 72 S 0.14848641095398 0.89506186366487 0.39534948744525 32.065 > 72 73 S 0.35151358904602 0.39506186366487 0.39534948744525 32.065 > 73 74 S 0.64848641095398 0.39506186366487 0.10465051255475 32.065 > 74 75 S 0.14848641095398 0.10493813633513 0.89534948744525 32.065 > 75 76 S 0.85151358904602 0.10493813633513 0.60465051255475 32.065 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3929555 0.0000000 0.0000000 0.0000000 2.4061237 0.0000000 0.0000000 0.0000000 2.4007054 -------------------------- Born effective charges -------------------------- 1 Li 1.0540231 -0.0073761 0.0448503 -0.0066587 1.1077818 0.0055982 -0.0393997 0.0492475 1.1166632 2 Li 1.0540231 0.0073761 0.0448503 0.0066587 1.1077818 -0.0055982 -0.0393997 -0.0492475 1.1166632 3 Li 1.0540231 -0.0073761 -0.0448503 -0.0066587 1.1077818 -0.0055982 0.0393997 -0.0492475 1.1166632 4 Li 1.0540231 0.0073761 -0.0448503 0.0066587 1.1077818 0.0055982 0.0393997 0.0492475 1.1166632 5 Li 1.0540231 -0.0073761 0.0448503 -0.0066587 1.1077818 0.0055982 -0.0393997 0.0492475 1.1166632 6 Li 1.0540231 0.0073761 0.0448503 0.0066587 1.1077818 -0.0055982 -0.0393997 -0.0492475 1.1166632 7 Li 1.0540231 -0.0073761 -0.0448503 -0.0066587 1.1077818 -0.0055982 0.0393997 -0.0492475 1.1166632 8 Li 1.0540231 0.0073761 -0.0448503 0.0066587 1.1077818 0.0055982 0.0393997 0.0492475 1.1166632 9 O -1.1619377 0.1541080 -0.1400827 0.1447113 -1.1553333 0.5301432 -0.2227627 0.5088272 -2.0667146 10 O -1.6763327 0.4231964 -0.5795836 0.3819503 -1.1050829 0.3689495 -0.5402346 0.3557195 -1.6794880 11 O -1.6763327 -0.4231964 -0.5795836 -0.3819503 -1.1050829 -0.3689495 -0.5402346 -0.3557195 -1.6794880 12 O -1.6763327 0.4231964 0.5795836 0.3819503 -1.1050829 -0.3689495 0.5402346 -0.3557195 -1.6794880 13 O -1.6763327 -0.4231964 0.5795836 -0.3819503 -1.1050829 0.3689495 0.5402346 0.3557195 -1.6794880 14 O -1.6763327 0.4231964 -0.5795836 0.3819503 -1.1050829 0.3689495 -0.5402346 0.3557195 -1.6794880 15 O -1.6763327 -0.4231964 -0.5795836 -0.3819503 -1.1050829 -0.3689495 -0.5402346 -0.3557195 -1.6794880 16 O -1.6763327 0.4231964 0.5795836 0.3819503 -1.1050829 -0.3689495 0.5402346 -0.3557195 -1.6794880 17 O -1.6763327 -0.4231964 0.5795836 -0.3819503 -1.1050829 0.3689495 0.5402346 0.3557195 -1.6794880 18 O -2.1713957 -0.3872874 0.2387670 -0.4299045 -1.0423289 0.0774354 0.2021749 0.0430330 -0.9362524 19 O -2.1713957 0.3872874 0.2387670 0.4299045 -1.0423289 -0.0774354 0.2021749 -0.0430330 -0.9362524 20 O -2.1713957 -0.3872874 -0.2387670 -0.4299045 -1.0423289 -0.0774354 -0.2021749 -0.0430330 -0.9362524 21 O -2.1713957 0.3872874 -0.2387670 0.4299045 -1.0423289 0.0774354 -0.2021749 0.0430330 -0.9362524 22 O -2.1713957 -0.3872874 0.2387670 -0.4299045 -1.0423289 0.0774354 0.2021749 0.0430330 -0.9362524 23 O -2.1713957 0.3872874 0.2387670 0.4299045 -1.0423289 -0.0774354 0.2021749 -0.0430330 -0.9362524 24 O -2.1713957 -0.3872874 -0.2387670 -0.4299045 -1.0423289 -0.0774354 -0.2021749 -0.0430330 -0.9362524 25 O -2.1713957 0.3872874 -0.2387670 0.4299045 -1.0423289 0.0774354 -0.2021749 0.0430330 -0.9362524 26 O -1.1619377 0.1541080 0.1400827 0.1447113 -1.1553333 -0.5301432 0.2227627 -0.5088272 -2.0667146 27 O -1.1619377 0.1541080 0.1400827 0.1447113 -1.1553333 -0.5301432 0.2227627 -0.5088272 -2.0667146 28 O -1.1619377 -0.1541080 -0.1400827 -0.1447113 -1.1553333 -0.5301432 -0.2227627 -0.5088272 -2.0667146 29 O -1.4855313 -0.5799059 0.3765350 -0.5829048 -1.4998095 0.4090067 0.4676684 0.4902702 -1.4512223 30 O -1.4855313 0.5799059 0.3765350 0.5829048 -1.4998095 -0.4090067 0.4676684 -0.4902702 -1.4512223 31 O -1.4855313 -0.5799059 -0.3765350 -0.5829048 -1.4998095 -0.4090067 -0.4676684 -0.4902702 -1.4512223 32 O -1.4855313 0.5799059 -0.3765350 0.5829048 -1.4998095 0.4090067 -0.4676684 0.4902702 -1.4512223 33 O -1.4855313 -0.5799059 0.3765350 -0.5829048 -1.4998095 0.4090067 0.4676684 0.4902702 -1.4512223 34 O -1.4855313 0.5799059 0.3765350 0.5829048 -1.4998095 -0.4090067 0.4676684 -0.4902702 -1.4512223 35 O -1.4855313 -0.5799059 -0.3765350 -0.5829048 -1.4998095 -0.4090067 -0.4676684 -0.4902702 -1.4512223 36 O -1.4855313 0.5799059 -0.3765350 0.5829048 -1.4998095 0.4090067 -0.4676684 0.4902702 -1.4512223 37 O -1.1407913 0.3721072 -0.3803749 0.4478552 -1.5467890 0.5792244 -0.4002992 0.5268418 -1.4302673 38 O -1.1407913 -0.3721072 -0.3803749 -0.4478552 -1.5467890 -0.5792244 -0.4002992 -0.5268418 -1.4302673 39 O -1.1407913 0.3721072 0.3803749 0.4478552 -1.5467890 -0.5792244 0.4002992 -0.5268418 -1.4302673 40 O -1.1407913 -0.3721072 0.3803749 -0.4478552 -1.5467890 0.5792244 0.4002992 0.5268418 -1.4302673 41 O -1.1407913 0.3721072 -0.3803749 0.4478552 -1.5467890 0.5792244 -0.4002992 0.5268418 -1.4302673 42 O -1.1407913 -0.3721072 -0.3803749 -0.4478552 -1.5467890 -0.5792244 -0.4002992 -0.5268418 -1.4302673 43 O -1.1407913 0.3721072 0.3803749 0.4478552 -1.5467890 -0.5792244 0.4002992 -0.5268418 -1.4302673 44 O -1.1407913 -0.3721072 0.3803749 -0.4478552 -1.5467890 0.5792244 0.4002992 0.5268418 -1.4302673 45 O -0.9111450 -0.0286449 -0.0621379 0.0569291 -2.4073040 -0.0313238 -0.0517123 -0.0355272 -1.0384210 46 O -0.9111450 0.0286449 -0.0621379 -0.0569291 -2.4073040 0.0313238 -0.0517123 0.0355272 -1.0384210 47 O -0.9111450 -0.0286449 0.0621379 0.0569291 -2.4073040 0.0313238 0.0517123 0.0355272 -1.0384210 48 O -0.9111450 0.0286449 0.0621379 -0.0569291 -2.4073040 -0.0313238 0.0517123 -0.0355272 -1.0384210 49 O -0.9111450 -0.0286449 -0.0621379 0.0569291 -2.4073040 -0.0313238 -0.0517123 -0.0355272 -1.0384210 50 O -0.9111450 0.0286449 -0.0621379 -0.0569291 -2.4073040 0.0313238 -0.0517123 0.0355272 -1.0384210 51 O -0.9111450 -0.0286449 0.0621379 0.0569291 -2.4073040 0.0313238 0.0517123 0.0355272 -1.0384210 52 O -0.9111450 0.0286449 0.0621379 -0.0569291 -2.4073040 -0.0313238 0.0517123 -0.0355272 -1.0384210 53 O -1.1619377 -0.1541080 -0.1400827 -0.1447113 -1.1553333 -0.5301432 -0.2227627 -0.5088272 -2.0667146 54 O -1.1619377 0.1541080 -0.1400827 0.1447113 -1.1553333 0.5301432 -0.2227627 0.5088272 -2.0667146 55 O -1.1619377 -0.1541080 0.1400827 -0.1447113 -1.1553333 0.5301432 0.2227627 0.5088272 -2.0667146 56 O -1.1619377 -0.1541080 0.1400827 -0.1447113 -1.1553333 0.5301432 0.2227627 0.5088272 -2.0667146 57 Mg 2.3799856 0.0146591 0.0219796 -0.0280016 2.3674607 -0.0170385 0.1337013 0.0260375 2.3813246 58 Mg 2.3799856 -0.0146591 0.0219796 0.0280016 2.3674607 0.0170385 0.1337013 -0.0260375 2.3813246 59 Mg 2.3799856 -0.0146591 -0.0219796 0.0280016 2.3674607 -0.0170385 -0.1337013 0.0260375 2.3813246 60 Mg 2.3799856 0.0146591 -0.0219796 -0.0280016 2.3674607 0.0170385 -0.1337013 -0.0260375 2.3813246 61 Mg 2.3799856 -0.0146591 0.0219796 0.0280016 2.3674607 0.0170385 0.1337013 -0.0260375 2.3813246 62 Mg 2.3799856 0.0146591 0.0219796 -0.0280016 2.3674607 -0.0170385 0.1337013 0.0260375 2.3813246 63 Mg 2.3799856 -0.0146591 -0.0219796 0.0280016 2.3674607 -0.0170385 -0.1337013 0.0260375 2.3813246 64 Mg 2.3799856 0.0146591 -0.0219796 -0.0280016 2.3674607 0.0170385 -0.1337013 -0.0260375 2.3813246 65 S 3.2007994 0.0000000 -0.0103263 0.0000000 3.5786284 0.0000000 -0.2127716 -0.0000000 3.4667194 66 S 3.2007994 0.0000000 0.0103263 0.0000000 3.5786284 0.0000000 0.2127716 -0.0000000 3.4667194 67 S 3.5127253 0.1497405 -0.1485812 -0.0508243 3.4920907 0.0104859 -0.0248459 0.0861627 3.3710183 68 S 3.2007994 0.0000000 0.0103263 0.0000000 3.5786284 0.0000000 0.2127716 -0.0000000 3.4667194 69 S 3.2007994 0.0000000 -0.0103263 0.0000000 3.5786284 0.0000000 -0.2127716 -0.0000000 3.4667194 70 S 3.5127253 -0.1497405 -0.1485812 0.0508243 3.4920907 -0.0104859 -0.0248459 -0.0861627 3.3710183 71 S 3.5127253 0.1497405 0.1485812 -0.0508243 3.4920907 -0.0104859 0.0248459 -0.0861627 3.3710183 72 S 3.5127253 -0.1497405 0.1485812 0.0508243 3.4920907 0.0104859 0.0248459 0.0861627 3.3710183 73 S 3.5127253 0.1497405 -0.1485812 -0.0508243 3.4920907 0.0104859 -0.0248459 0.0861627 3.3710183 74 S 3.5127253 -0.1497405 -0.1485812 0.0508243 3.4920907 -0.0104859 -0.0248459 -0.0861627 3.3710183 75 S 3.5127253 0.1497405 0.1485812 -0.0508243 3.4920907 -0.0104859 0.0248459 -0.0861627 3.3710183 76 S 3.5127253 -0.1497405 0.1485812 0.0508243 3.4920907 0.0104859 0.0248459 0.0861627 3.3710183 ---------------------------------------------------------------------------- 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: 228/228 Permutation basis: 25878/25878 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 724 / 724 (1) 204 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3278), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (724, 704), data: False |-- (724, 20), data: (724, 40) @ (40, 20) |-- (224, 204), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.001 Solver_block: 100 / 1200 - Time: 0.570 Solver_block: 200 / 1200 - Time: 0.477 Solver_block: 300 / 1200 - Time: 0.478 Solver_block: 400 / 1200 - Time: 0.476 Solver_block: 500 / 1200 - Time: 0.480 Solver_block: 600 / 1200 - Time: 0.476 Solver_block: 700 / 1200 - Time: 0.476 Solver_block: 800 / 1200 - Time: 0.477 Solver_block: 900 / 1200 - Time: 0.476 Solver_block: 1000 / 1200 - Time: 0.477 Solver_block: 1100 / 1200 - Time: 0.477 Solver_block: 1200 / 1200 - Time: 0.477 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 5.980 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 228/228 Permutation basis: 25878/25878 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 3364 Number of blocks in projector: 3364 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: 724 Use submatrix version of eigh solver. (1) Block: 500 / 724 (2) Block: 250 / 500 (2) 230 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 480 eigenvectors found. (1) Block: 724 / 724 (1) 204 eigenvectors found. (1) Complementary block size: 40 (1) Compute compressed projector. (1) Use standard solver. (1) 20 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 720 Use submatrix version of eigh solver. (1) Block: 500 / 720 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 720 / 720 (1) 202 eigenvectors found. (1) Complementary block size: 36 (1) Compute compressed projector. (1) Use standard solver. (1) 18 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 400 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 400 Use standard eigh solver. Tree of FC basis block matrices: - (3364, 3278), data: False |-- (400, 390), data: True |-- (400, 390), data: True |-- (400, 390), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (720, 702), data: False |-- (720, 18), data: (720, 36) @ (36, 18) |-- (220, 202), data: True |-- (500, 482), data: False |-- (500, 14), data: (500, 32) @ (32, 14) |-- (250, 236), data: True |-- (250, 232), data: True |-- (724, 704), data: False |-- (724, 20), data: (724, 40) @ (40, 20) |-- (224, 204), data: True |-- (500, 480), data: False |-- (500, 16), data: (500, 36) @ (36, 16) |-- (250, 234), data: True |-- (250, 230), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) 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 00:48:53]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:48:54]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.154121900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.552092009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713009820000000 Atomic positions (fractional): 1 Li 0.68078252391710 0.28555401929627 0.77704082147702 6.941 2 Li 0.31921747608290 0.28555401929627 0.72295917852298 6.941 3 Li 0.81921747608290 0.21444598070373 0.27704082147702 6.941 4 Li 0.18078252391710 0.21444598070373 0.22295917852298 6.941 5 Li 0.31921747608290 0.71444598070373 0.22295917852298 6.941 6 Li 0.68078252391710 0.71444598070373 0.27704082147702 6.941 7 Li 0.18078252391710 0.78555401929627 0.72295917852298 6.941 8 Li 0.81921747608290 0.78555401929627 0.77704082147702 6.941 9 O 0.68189364338623 0.33280041967342 0.25719060251128 15.999 10 O 0.77692734575394 0.16995027867135 0.48508657432612 15.999 11 O 0.22307265424606 0.16995027867135 0.01491342567388 15.999 12 O 0.72307265424606 0.33004972132865 0.98508657432612 15.999 13 O 0.27692734575394 0.33004972132865 0.51491342567388 15.999 14 O 0.22307265424606 0.83004972132865 0.51491342567388 15.999 15 O 0.77692734575394 0.83004972132865 0.98508657432612 15.999 16 O 0.27692734575394 0.66995027867135 0.01491342567388 15.999 17 O 0.72307265424606 0.66995027867135 0.48508657432612 15.999 18 O 0.96459607969145 0.14828824235075 0.56879084947903 15.999 19 O 0.03540392030855 0.14828824235075 0.93120915052097 15.999 20 O 0.53540392030855 0.35171175764925 0.06879084947903 15.999 21 O 0.46459607969145 0.35171175764925 0.43120915052097 15.999 22 O 0.03540392030855 0.85171175764925 0.43120915052097 15.999 23 O 0.96459607969145 0.85171175764925 0.06879084947903 15.999 24 O 0.46459607969145 0.64828824235075 0.93120915052097 15.999 25 O 0.53540392030855 0.64828824235075 0.56879084947903 15.999 26 O 0.81810635661377 0.16719958032658 0.75719060251128 15.999 27 O 0.18189364338623 0.83280041967342 0.24280939748872 15.999 28 O 0.31810635661377 0.33280041967342 0.24280939748872 15.999 29 O 0.57888911732385 0.15125177829960 0.66827313578722 15.999 30 O 0.42111088267615 0.15125177829960 0.83172686421278 15.999 31 O 0.92111088267615 0.34874822170040 0.16827313578722 15.999 32 O 0.07888911732385 0.34874822170040 0.33172686421278 15.999 33 O 0.42111088267615 0.84874822170040 0.33172686421278 15.999 34 O 0.57888911732385 0.84874822170040 0.16827313578722 15.999 35 O 0.07888911732385 0.65125177829960 0.83172686421278 15.999 36 O 0.92111088267615 0.65125177829960 0.66827313578722 15.999 37 O 0.56269773303540 0.95337588912653 0.85936600057994 15.999 38 O 0.43730226696460 0.95337588912653 0.64063399942006 15.999 39 O 0.93730226696460 0.54662411087347 0.35936600057994 15.999 40 O 0.06269773303540 0.54662411087347 0.14063399942006 15.999 41 O 0.43730226696460 0.04662411087347 0.14063399942006 15.999 42 O 0.56269773303540 0.04662411087347 0.35936600057994 15.999 43 O 0.06269773303540 0.45337588912653 0.64063399942006 15.999 44 O 0.93730226696460 0.45337588912653 0.85936600057994 15.999 45 O 0.66012304636498 0.43225563130872 0.60756011455525 15.999 46 O 0.33987695363502 0.43225563130872 0.89243988544475 15.999 47 O 0.83987695363502 0.06774436869128 0.10756011455525 15.999 48 O 0.16012304636498 0.06774436869128 0.39243988544475 15.999 49 O 0.33987695363502 0.56774436869128 0.39243988544475 15.999 50 O 0.66012304636498 0.56774436869128 0.10756011455525 15.999 51 O 0.16012304636498 0.93225563130872 0.89243988544475 15.999 52 O 0.83987695363502 0.93225563130872 0.60756011455525 15.999 53 O 0.68189364338623 0.66719958032658 0.75719060251128 15.999 54 O 0.31810635661377 0.66719958032658 0.74280939748872 15.999 55 O 0.81810635661377 0.83280041967342 0.25719060251128 15.999 56 O 0.18189364338623 0.16719958032658 0.74280939748872 15.999 57 Mg 0.38934153860519 0.24607953682813 0.04141709581834 24.305 58 Mg 0.61065846139480 0.24607953682813 0.45858290418166 24.305 59 Mg 0.88934153860520 0.25392046317187 0.95858290418166 24.305 60 Mg 0.11065846139480 0.25392046317187 0.54141709581834 24.305 61 Mg 0.38934153860519 0.75392046317187 0.54141709581834 24.305 62 Mg 0.61065846139480 0.75392046317187 0.95858290418166 24.305 63 Mg 0.11065846139480 0.74607953682813 0.04141709581834 24.305 64 Mg 0.88934153860520 0.74607953682813 0.45858290418166 24.305 65 S 0.50000000000000 0.95294924648219 0.25000000000000 32.065 66 S 0.00000000000000 0.54705075351781 0.75000000000000 32.065 67 S 0.64848641095398 0.60493813633513 0.60465051255475 32.065 68 S 0.00000000000000 0.45294924648219 0.25000000000000 32.065 69 S 0.50000000000000 0.04705075351781 0.75000000000000 32.065 70 S 0.35151358904602 0.60493813633513 0.89534948744525 32.065 71 S 0.85151358904602 0.89506186366487 0.10465051255475 32.065 72 S 0.14848641095398 0.89506186366487 0.39534948744525 32.065 73 S 0.35151358904602 0.39506186366487 0.39534948744525 32.065 74 S 0.64848641095398 0.39506186366487 0.10465051255475 32.065 75 S 0.14848641095398 0.10493813633513 0.89534948744525 32.065 76 S 0.85151358904602 0.10493813633513 0.60465051255475 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.154121900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.552092009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713009820000000 Atomic positions (fractional): 1 Li 0.68078252391710 0.28555401929627 0.77704082147702 6.941 > 1 2 Li 0.31921747608290 0.28555401929627 0.72295917852298 6.941 > 2 3 Li 0.81921747608290 0.21444598070373 0.27704082147702 6.941 > 3 4 Li 0.18078252391710 0.21444598070373 0.22295917852298 6.941 > 4 5 Li 0.31921747608290 0.71444598070373 0.22295917852298 6.941 > 5 6 Li 0.68078252391710 0.71444598070373 0.27704082147702 6.941 > 6 7 Li 0.18078252391710 0.78555401929627 0.72295917852298 6.941 > 7 8 Li 0.81921747608290 0.78555401929627 0.77704082147702 6.941 > 8 9 O 0.68189364338623 0.33280041967342 0.25719060251128 15.999 > 9 10 O 0.77692734575394 0.16995027867135 0.48508657432612 15.999 > 10 11 O 0.22307265424606 0.16995027867135 0.01491342567388 15.999 > 11 12 O 0.72307265424606 0.33004972132865 0.98508657432612 15.999 > 12 13 O 0.27692734575394 0.33004972132865 0.51491342567388 15.999 > 13 14 O 0.22307265424606 0.83004972132865 0.51491342567388 15.999 > 14 15 O 0.77692734575394 0.83004972132865 0.98508657432612 15.999 > 15 16 O 0.27692734575394 0.66995027867135 0.01491342567388 15.999 > 16 17 O 0.72307265424606 0.66995027867135 0.48508657432612 15.999 > 17 18 O 0.96459607969145 0.14828824235075 0.56879084947903 15.999 > 18 19 O 0.03540392030855 0.14828824235075 0.93120915052097 15.999 > 19 20 O 0.53540392030855 0.35171175764925 0.06879084947903 15.999 > 20 21 O 0.46459607969145 0.35171175764925 0.43120915052097 15.999 > 21 22 O 0.03540392030855 0.85171175764925 0.43120915052097 15.999 > 22 23 O 0.96459607969145 0.85171175764925 0.06879084947903 15.999 > 23 24 O 0.46459607969145 0.64828824235075 0.93120915052097 15.999 > 24 25 O 0.53540392030855 0.64828824235075 0.56879084947903 15.999 > 25 26 O 0.81810635661377 0.16719958032658 0.75719060251128 15.999 > 26 27 O 0.18189364338623 0.83280041967342 0.24280939748872 15.999 > 27 28 O 0.31810635661377 0.33280041967342 0.24280939748872 15.999 > 28 29 O 0.57888911732385 0.15125177829960 0.66827313578722 15.999 > 29 30 O 0.42111088267615 0.15125177829960 0.83172686421278 15.999 > 30 31 O 0.92111088267615 0.34874822170040 0.16827313578722 15.999 > 31 32 O 0.07888911732385 0.34874822170040 0.33172686421278 15.999 > 32 33 O 0.42111088267615 0.84874822170040 0.33172686421278 15.999 > 33 34 O 0.57888911732385 0.84874822170040 0.16827313578722 15.999 > 34 35 O 0.07888911732385 0.65125177829960 0.83172686421278 15.999 > 35 36 O 0.92111088267615 0.65125177829960 0.66827313578722 15.999 > 36 37 O 0.56269773303540 0.95337588912653 0.85936600057994 15.999 > 37 38 O 0.43730226696460 0.95337588912653 0.64063399942006 15.999 > 38 39 O 0.93730226696460 0.54662411087347 0.35936600057994 15.999 > 39 40 O 0.06269773303540 0.54662411087347 0.14063399942006 15.999 > 40 41 O 0.43730226696460 0.04662411087347 0.14063399942006 15.999 > 41 42 O 0.56269773303540 0.04662411087347 0.35936600057994 15.999 > 42 43 O 0.06269773303540 0.45337588912653 0.64063399942006 15.999 > 43 44 O 0.93730226696460 0.45337588912653 0.85936600057994 15.999 > 44 45 O 0.66012304636498 0.43225563130872 0.60756011455525 15.999 > 45 46 O 0.33987695363502 0.43225563130872 0.89243988544475 15.999 > 46 47 O 0.83987695363502 0.06774436869128 0.10756011455525 15.999 > 47 48 O 0.16012304636498 0.06774436869128 0.39243988544475 15.999 > 48 49 O 0.33987695363502 0.56774436869128 0.39243988544475 15.999 > 49 50 O 0.66012304636498 0.56774436869128 0.10756011455525 15.999 > 50 51 O 0.16012304636498 0.93225563130872 0.89243988544475 15.999 > 51 52 O 0.83987695363502 0.93225563130872 0.60756011455525 15.999 > 52 53 O 0.68189364338623 0.66719958032658 0.75719060251128 15.999 > 53 54 O 0.31810635661377 0.66719958032658 0.74280939748872 15.999 > 54 55 O 0.81810635661377 0.83280041967342 0.25719060251128 15.999 > 55 56 O 0.18189364338623 0.16719958032658 0.74280939748872 15.999 > 56 57 Mg 0.38934153860519 0.24607953682813 0.04141709581834 24.305 > 57 58 Mg 0.61065846139480 0.24607953682813 0.45858290418166 24.305 > 58 59 Mg 0.88934153860520 0.25392046317187 0.95858290418166 24.305 > 59 60 Mg 0.11065846139480 0.25392046317187 0.54141709581834 24.305 > 60 61 Mg 0.38934153860519 0.75392046317187 0.54141709581834 24.305 > 61 62 Mg 0.61065846139480 0.75392046317187 0.95858290418166 24.305 > 62 63 Mg 0.11065846139480 0.74607953682813 0.04141709581834 24.305 > 63 64 Mg 0.88934153860520 0.74607953682813 0.45858290418166 24.305 > 64 65 S 0.50000000000000 0.95294924648219 0.25000000000000 32.065 > 65 66 S 0.00000000000000 0.54705075351781 0.75000000000000 32.065 > 66 67 S 0.64848641095398 0.60493813633513 0.60465051255475 32.065 > 67 68 S 0.00000000000000 0.45294924648219 0.25000000000000 32.065 > 68 69 S 0.50000000000000 0.04705075351781 0.75000000000000 32.065 > 69 70 S 0.35151358904602 0.60493813633513 0.89534948744525 32.065 > 70 71 S 0.85151358904602 0.89506186366487 0.10465051255475 32.065 > 71 72 S 0.14848641095398 0.89506186366487 0.39534948744525 32.065 > 72 73 S 0.35151358904602 0.39506186366487 0.39534948744525 32.065 > 73 74 S 0.64848641095398 0.39506186366487 0.10465051255475 32.065 > 74 75 S 0.14848641095398 0.10493813633513 0.89534948744525 32.065 > 75 76 S 0.85151358904602 0.10493813633513 0.60465051255475 32.065 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.3929555 0.0000000 0.0000000 0.0000000 2.4061237 0.0000000 0.0000000 0.0000000 2.4007054 -------------------------- Born effective charges -------------------------- 1 Li 1.0540231 -0.0073761 0.0448503 -0.0066587 1.1077818 0.0055982 -0.0393997 0.0492475 1.1166632 2 Li 1.0540231 0.0073761 0.0448503 0.0066587 1.1077818 -0.0055982 -0.0393997 -0.0492475 1.1166632 3 Li 1.0540231 -0.0073761 -0.0448503 -0.0066587 1.1077818 -0.0055982 0.0393997 -0.0492475 1.1166632 4 Li 1.0540231 0.0073761 -0.0448503 0.0066587 1.1077818 0.0055982 0.0393997 0.0492475 1.1166632 5 Li 1.0540231 -0.0073761 0.0448503 -0.0066587 1.1077818 0.0055982 -0.0393997 0.0492475 1.1166632 6 Li 1.0540231 0.0073761 0.0448503 0.0066587 1.1077818 -0.0055982 -0.0393997 -0.0492475 1.1166632 7 Li 1.0540231 -0.0073761 -0.0448503 -0.0066587 1.1077818 -0.0055982 0.0393997 -0.0492475 1.1166632 8 Li 1.0540231 0.0073761 -0.0448503 0.0066587 1.1077818 0.0055982 0.0393997 0.0492475 1.1166632 9 O -1.1619377 0.1541080 -0.1400827 0.1447113 -1.1553333 0.5301432 -0.2227627 0.5088272 -2.0667146 10 O -1.6763327 0.4231964 -0.5795836 0.3819503 -1.1050829 0.3689495 -0.5402346 0.3557195 -1.6794880 11 O -1.6763327 -0.4231964 -0.5795836 -0.3819503 -1.1050829 -0.3689495 -0.5402346 -0.3557195 -1.6794880 12 O -1.6763327 0.4231964 0.5795836 0.3819503 -1.1050829 -0.3689495 0.5402346 -0.3557195 -1.6794880 13 O -1.6763327 -0.4231964 0.5795836 -0.3819503 -1.1050829 0.3689495 0.5402346 0.3557195 -1.6794880 14 O -1.6763327 0.4231964 -0.5795836 0.3819503 -1.1050829 0.3689495 -0.5402346 0.3557195 -1.6794880 15 O -1.6763327 -0.4231964 -0.5795836 -0.3819503 -1.1050829 -0.3689495 -0.5402346 -0.3557195 -1.6794880 16 O -1.6763327 0.4231964 0.5795836 0.3819503 -1.1050829 -0.3689495 0.5402346 -0.3557195 -1.6794880 17 O -1.6763327 -0.4231964 0.5795836 -0.3819503 -1.1050829 0.3689495 0.5402346 0.3557195 -1.6794880 18 O -2.1713957 -0.3872874 0.2387670 -0.4299045 -1.0423289 0.0774354 0.2021749 0.0430330 -0.9362524 19 O -2.1713957 0.3872874 0.2387670 0.4299045 -1.0423289 -0.0774354 0.2021749 -0.0430330 -0.9362524 20 O -2.1713957 -0.3872874 -0.2387670 -0.4299045 -1.0423289 -0.0774354 -0.2021749 -0.0430330 -0.9362524 21 O -2.1713957 0.3872874 -0.2387670 0.4299045 -1.0423289 0.0774354 -0.2021749 0.0430330 -0.9362524 22 O -2.1713957 -0.3872874 0.2387670 -0.4299045 -1.0423289 0.0774354 0.2021749 0.0430330 -0.9362524 23 O -2.1713957 0.3872874 0.2387670 0.4299045 -1.0423289 -0.0774354 0.2021749 -0.0430330 -0.9362524 24 O -2.1713957 -0.3872874 -0.2387670 -0.4299045 -1.0423289 -0.0774354 -0.2021749 -0.0430330 -0.9362524 25 O -2.1713957 0.3872874 -0.2387670 0.4299045 -1.0423289 0.0774354 -0.2021749 0.0430330 -0.9362524 26 O -1.1619377 0.1541080 0.1400827 0.1447113 -1.1553333 -0.5301432 0.2227627 -0.5088272 -2.0667146 27 O -1.1619377 0.1541080 0.1400827 0.1447113 -1.1553333 -0.5301432 0.2227627 -0.5088272 -2.0667146 28 O -1.1619377 -0.1541080 -0.1400827 -0.1447113 -1.1553333 -0.5301432 -0.2227627 -0.5088272 -2.0667146 29 O -1.4855313 -0.5799059 0.3765350 -0.5829048 -1.4998095 0.4090067 0.4676684 0.4902702 -1.4512223 30 O -1.4855313 0.5799059 0.3765350 0.5829048 -1.4998095 -0.4090067 0.4676684 -0.4902702 -1.4512223 31 O -1.4855313 -0.5799059 -0.3765350 -0.5829048 -1.4998095 -0.4090067 -0.4676684 -0.4902702 -1.4512223 32 O -1.4855313 0.5799059 -0.3765350 0.5829048 -1.4998095 0.4090067 -0.4676684 0.4902702 -1.4512223 33 O -1.4855313 -0.5799059 0.3765350 -0.5829048 -1.4998095 0.4090067 0.4676684 0.4902702 -1.4512223 34 O -1.4855313 0.5799059 0.3765350 0.5829048 -1.4998095 -0.4090067 0.4676684 -0.4902702 -1.4512223 35 O -1.4855313 -0.5799059 -0.3765350 -0.5829048 -1.4998095 -0.4090067 -0.4676684 -0.4902702 -1.4512223 36 O -1.4855313 0.5799059 -0.3765350 0.5829048 -1.4998095 0.4090067 -0.4676684 0.4902702 -1.4512223 37 O -1.1407913 0.3721072 -0.3803749 0.4478552 -1.5467890 0.5792244 -0.4002992 0.5268418 -1.4302673 38 O -1.1407913 -0.3721072 -0.3803749 -0.4478552 -1.5467890 -0.5792244 -0.4002992 -0.5268418 -1.4302673 39 O -1.1407913 0.3721072 0.3803749 0.4478552 -1.5467890 -0.5792244 0.4002992 -0.5268418 -1.4302673 40 O -1.1407913 -0.3721072 0.3803749 -0.4478552 -1.5467890 0.5792244 0.4002992 0.5268418 -1.4302673 41 O -1.1407913 0.3721072 -0.3803749 0.4478552 -1.5467890 0.5792244 -0.4002992 0.5268418 -1.4302673 42 O -1.1407913 -0.3721072 -0.3803749 -0.4478552 -1.5467890 -0.5792244 -0.4002992 -0.5268418 -1.4302673 43 O -1.1407913 0.3721072 0.3803749 0.4478552 -1.5467890 -0.5792244 0.4002992 -0.5268418 -1.4302673 44 O -1.1407913 -0.3721072 0.3803749 -0.4478552 -1.5467890 0.5792244 0.4002992 0.5268418 -1.4302673 45 O -0.9111450 -0.0286449 -0.0621379 0.0569291 -2.4073040 -0.0313238 -0.0517123 -0.0355272 -1.0384210 46 O -0.9111450 0.0286449 -0.0621379 -0.0569291 -2.4073040 0.0313238 -0.0517123 0.0355272 -1.0384210 47 O -0.9111450 -0.0286449 0.0621379 0.0569291 -2.4073040 0.0313238 0.0517123 0.0355272 -1.0384210 48 O -0.9111450 0.0286449 0.0621379 -0.0569291 -2.4073040 -0.0313238 0.0517123 -0.0355272 -1.0384210 49 O -0.9111450 -0.0286449 -0.0621379 0.0569291 -2.4073040 -0.0313238 -0.0517123 -0.0355272 -1.0384210 50 O -0.9111450 0.0286449 -0.0621379 -0.0569291 -2.4073040 0.0313238 -0.0517123 0.0355272 -1.0384210 51 O -0.9111450 -0.0286449 0.0621379 0.0569291 -2.4073040 0.0313238 0.0517123 0.0355272 -1.0384210 52 O -0.9111450 0.0286449 0.0621379 -0.0569291 -2.4073040 -0.0313238 0.0517123 -0.0355272 -1.0384210 53 O -1.1619377 -0.1541080 -0.1400827 -0.1447113 -1.1553333 -0.5301432 -0.2227627 -0.5088272 -2.0667146 54 O -1.1619377 0.1541080 -0.1400827 0.1447113 -1.1553333 0.5301432 -0.2227627 0.5088272 -2.0667146 55 O -1.1619377 -0.1541080 0.1400827 -0.1447113 -1.1553333 0.5301432 0.2227627 0.5088272 -2.0667146 56 O -1.1619377 -0.1541080 0.1400827 -0.1447113 -1.1553333 0.5301432 0.2227627 0.5088272 -2.0667146 57 Mg 2.3799856 0.0146591 0.0219796 -0.0280016 2.3674607 -0.0170385 0.1337013 0.0260375 2.3813246 58 Mg 2.3799856 -0.0146591 0.0219796 0.0280016 2.3674607 0.0170385 0.1337013 -0.0260375 2.3813246 59 Mg 2.3799856 -0.0146591 -0.0219796 0.0280016 2.3674607 -0.0170385 -0.1337013 0.0260375 2.3813246 60 Mg 2.3799856 0.0146591 -0.0219796 -0.0280016 2.3674607 0.0170385 -0.1337013 -0.0260375 2.3813246 61 Mg 2.3799856 -0.0146591 0.0219796 0.0280016 2.3674607 0.0170385 0.1337013 -0.0260375 2.3813246 62 Mg 2.3799856 0.0146591 0.0219796 -0.0280016 2.3674607 -0.0170385 0.1337013 0.0260375 2.3813246 63 Mg 2.3799856 -0.0146591 -0.0219796 0.0280016 2.3674607 -0.0170385 -0.1337013 0.0260375 2.3813246 64 Mg 2.3799856 0.0146591 -0.0219796 -0.0280016 2.3674607 0.0170385 -0.1337013 -0.0260375 2.3813246 65 S 3.2007994 0.0000000 -0.0103263 0.0000000 3.5786284 0.0000000 -0.2127716 -0.0000000 3.4667194 66 S 3.2007994 0.0000000 0.0103263 0.0000000 3.5786284 0.0000000 0.2127716 -0.0000000 3.4667194 67 S 3.5127253 0.1497405 -0.1485812 -0.0508243 3.4920907 0.0104859 -0.0248459 0.0861627 3.3710183 68 S 3.2007994 0.0000000 0.0103263 0.0000000 3.5786284 0.0000000 0.2127716 -0.0000000 3.4667194 69 S 3.2007994 0.0000000 -0.0103263 0.0000000 3.5786284 0.0000000 -0.2127716 -0.0000000 3.4667194 70 S 3.5127253 -0.1497405 -0.1485812 0.0508243 3.4920907 -0.0104859 -0.0248459 -0.0861627 3.3710183 71 S 3.5127253 0.1497405 0.1485812 -0.0508243 3.4920907 -0.0104859 0.0248459 -0.0861627 3.3710183 72 S 3.5127253 -0.1497405 0.1485812 0.0508243 3.4920907 0.0104859 0.0248459 0.0861627 3.3710183 73 S 3.5127253 0.1497405 -0.1485812 -0.0508243 3.4920907 0.0104859 -0.0248459 0.0861627 3.3710183 74 S 3.5127253 -0.1497405 -0.1485812 0.0508243 3.4920907 -0.0104859 -0.0248459 -0.0861627 3.3710183 75 S 3.5127253 0.1497405 0.1485812 -0.0508243 3.4920907 -0.0104859 0.0248459 -0.0861627 3.3710183 76 S 3.5127253 -0.1497405 0.1485812 0.0508243 3.4920907 0.0104859 0.0248459 0.0861627 3.3710183 ---------------------------------------------------------------------------- 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[ 10, 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[ 18, 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[ 29, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 37, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 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[ 67, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 00:49:17]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 00:49:17]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbcn (60) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 12.154121900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.552092009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713009820000000 Atomic positions (fractional): 1 Li 0.68078252391710 0.28555401929627 0.77704082147702 6.941 2 Li 0.31921747608290 0.28555401929627 0.72295917852298 6.941 3 Li 0.81921747608290 0.21444598070373 0.27704082147702 6.941 4 Li 0.18078252391710 0.21444598070373 0.22295917852298 6.941 5 Li 0.31921747608290 0.71444598070373 0.22295917852298 6.941 6 Li 0.68078252391710 0.71444598070373 0.27704082147702 6.941 7 Li 0.18078252391710 0.78555401929627 0.72295917852298 6.941 8 Li 0.81921747608290 0.78555401929627 0.77704082147702 6.941 9 O 0.68189364338623 0.33280041967342 0.25719060251128 15.999 10 O 0.77692734575394 0.16995027867135 0.48508657432612 15.999 11 O 0.22307265424606 0.16995027867135 0.01491342567388 15.999 12 O 0.72307265424606 0.33004972132865 0.98508657432612 15.999 13 O 0.27692734575394 0.33004972132865 0.51491342567388 15.999 14 O 0.22307265424606 0.83004972132865 0.51491342567388 15.999 15 O 0.77692734575394 0.83004972132865 0.98508657432612 15.999 16 O 0.27692734575394 0.66995027867135 0.01491342567388 15.999 17 O 0.72307265424606 0.66995027867135 0.48508657432612 15.999 18 O 0.96459607969145 0.14828824235075 0.56879084947903 15.999 19 O 0.03540392030855 0.14828824235075 0.93120915052097 15.999 20 O 0.53540392030855 0.35171175764925 0.06879084947903 15.999 21 O 0.46459607969145 0.35171175764925 0.43120915052097 15.999 22 O 0.03540392030855 0.85171175764925 0.43120915052097 15.999 23 O 0.96459607969145 0.85171175764925 0.06879084947903 15.999 24 O 0.46459607969145 0.64828824235075 0.93120915052097 15.999 25 O 0.53540392030855 0.64828824235075 0.56879084947903 15.999 26 O 0.81810635661377 0.16719958032658 0.75719060251128 15.999 27 O 0.18189364338623 0.83280041967342 0.24280939748872 15.999 28 O 0.31810635661377 0.33280041967342 0.24280939748872 15.999 29 O 0.57888911732385 0.15125177829960 0.66827313578722 15.999 30 O 0.42111088267615 0.15125177829960 0.83172686421278 15.999 31 O 0.92111088267615 0.34874822170040 0.16827313578722 15.999 32 O 0.07888911732385 0.34874822170040 0.33172686421278 15.999 33 O 0.42111088267615 0.84874822170040 0.33172686421278 15.999 34 O 0.57888911732385 0.84874822170040 0.16827313578722 15.999 35 O 0.07888911732385 0.65125177829960 0.83172686421278 15.999 36 O 0.92111088267615 0.65125177829960 0.66827313578722 15.999 37 O 0.56269773303540 0.95337588912653 0.85936600057994 15.999 38 O 0.43730226696460 0.95337588912653 0.64063399942006 15.999 39 O 0.93730226696460 0.54662411087347 0.35936600057994 15.999 40 O 0.06269773303540 0.54662411087347 0.14063399942006 15.999 41 O 0.43730226696460 0.04662411087347 0.14063399942006 15.999 42 O 0.56269773303540 0.04662411087347 0.35936600057994 15.999 43 O 0.06269773303540 0.45337588912653 0.64063399942006 15.999 44 O 0.93730226696460 0.45337588912653 0.85936600057994 15.999 45 O 0.66012304636498 0.43225563130872 0.60756011455525 15.999 46 O 0.33987695363502 0.43225563130872 0.89243988544475 15.999 47 O 0.83987695363502 0.06774436869128 0.10756011455525 15.999 48 O 0.16012304636498 0.06774436869128 0.39243988544475 15.999 49 O 0.33987695363502 0.56774436869128 0.39243988544475 15.999 50 O 0.66012304636498 0.56774436869128 0.10756011455525 15.999 51 O 0.16012304636498 0.93225563130872 0.89243988544475 15.999 52 O 0.83987695363502 0.93225563130872 0.60756011455525 15.999 53 O 0.68189364338623 0.66719958032658 0.75719060251128 15.999 54 O 0.31810635661377 0.66719958032658 0.74280939748872 15.999 55 O 0.81810635661377 0.83280041967342 0.25719060251128 15.999 56 O 0.18189364338623 0.16719958032658 0.74280939748872 15.999 57 Mg 0.38934153860519 0.24607953682813 0.04141709581834 24.305 58 Mg 0.61065846139480 0.24607953682813 0.45858290418166 24.305 59 Mg 0.88934153860520 0.25392046317187 0.95858290418166 24.305 60 Mg 0.11065846139480 0.25392046317187 0.54141709581834 24.305 61 Mg 0.38934153860519 0.75392046317187 0.54141709581834 24.305 62 Mg 0.61065846139480 0.75392046317187 0.95858290418166 24.305 63 Mg 0.11065846139480 0.74607953682813 0.04141709581834 24.305 64 Mg 0.88934153860520 0.74607953682813 0.45858290418166 24.305 65 S 0.50000000000000 0.95294924648219 0.25000000000000 32.065 66 S 0.00000000000000 0.54705075351781 0.75000000000000 32.065 67 S 0.64848641095398 0.60493813633513 0.60465051255475 32.065 68 S 0.00000000000000 0.45294924648219 0.25000000000000 32.065 69 S 0.50000000000000 0.04705075351781 0.75000000000000 32.065 70 S 0.35151358904602 0.60493813633513 0.89534948744525 32.065 71 S 0.85151358904602 0.89506186366487 0.10465051255475 32.065 72 S 0.14848641095398 0.89506186366487 0.39534948744525 32.065 73 S 0.35151358904602 0.39506186366487 0.39534948744525 32.065 74 S 0.64848641095398 0.39506186366487 0.10465051255475 32.065 75 S 0.14848641095398 0.10493813633513 0.89534948744525 32.065 76 S 0.85151358904602 0.10493813633513 0.60465051255475 32.065 -------------------------------- supercell --------------------------------- Lattice vectors: a 12.154121900000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.552092009999999 0.000000000000000 c 0.000000000000000 0.000000000000000 8.713009820000000 Atomic positions (fractional): 1 Li 0.68078252391710 0.28555401929627 0.77704082147702 6.941 > 1 2 Li 0.31921747608290 0.28555401929627 0.72295917852298 6.941 > 2 3 Li 0.81921747608290 0.21444598070373 0.27704082147702 6.941 > 3 4 Li 0.18078252391710 0.21444598070373 0.22295917852298 6.941 > 4 5 Li 0.31921747608290 0.71444598070373 0.22295917852298 6.941 > 5 6 Li 0.68078252391710 0.71444598070373 0.27704082147702 6.941 > 6 7 Li 0.18078252391710 0.78555401929627 0.72295917852298 6.941 > 7 8 Li 0.81921747608290 0.78555401929627 0.77704082147702 6.941 > 8 9 O 0.68189364338623 0.33280041967342 0.25719060251128 15.999 > 9 10 O 0.77692734575394 0.16995027867135 0.48508657432612 15.999 > 10 11 O 0.22307265424606 0.16995027867135 0.01491342567388 15.999 > 11 12 O 0.72307265424606 0.33004972132865 0.98508657432612 15.999 > 12 13 O 0.27692734575394 0.33004972132865 0.51491342567388 15.999 > 13 14 O 0.22307265424606 0.83004972132865 0.51491342567388 15.999 > 14 15 O 0.77692734575394 0.83004972132865 0.98508657432612 15.999 > 15 16 O 0.27692734575394 0.66995027867135 0.01491342567388 15.999 > 16 17 O 0.72307265424606 0.66995027867135 0.48508657432612 15.999 > 17 18 O 0.96459607969145 0.14828824235075 0.56879084947903 15.999 > 18 19 O 0.03540392030855 0.14828824235075 0.93120915052097 15.999 > 19 20 O 0.53540392030855 0.35171175764925 0.06879084947903 15.999 > 20 21 O 0.46459607969145 0.35171175764925 0.43120915052097 15.999 > 21 22 O 0.03540392030855 0.85171175764925 0.43120915052097 15.999 > 22 23 O 0.96459607969145 0.85171175764925 0.06879084947903 15.999 > 23 24 O 0.46459607969145 0.64828824235075 0.93120915052097 15.999 > 24 25 O 0.53540392030855 0.64828824235075 0.56879084947903 15.999 > 25 26 O 0.81810635661377 0.16719958032658 0.75719060251128 15.999 > 26 27 O 0.18189364338623 0.83280041967342 0.24280939748872 15.999 > 27 28 O 0.31810635661377 0.33280041967342 0.24280939748872 15.999 > 28 29 O 0.57888911732385 0.15125177829960 0.66827313578722 15.999 > 29 30 O 0.42111088267615 0.15125177829960 0.83172686421278 15.999 > 30 31 O 0.92111088267615 0.34874822170040 0.16827313578722 15.999 > 31 32 O 0.07888911732385 0.34874822170040 0.33172686421278 15.999 > 32 33 O 0.42111088267615 0.84874822170040 0.33172686421278 15.999 > 33 34 O 0.57888911732385 0.84874822170040 0.16827313578722 15.999 > 34 35 O 0.07888911732385 0.65125177829960 0.83172686421278 15.999 > 35 36 O 0.92111088267615 0.65125177829960 0.66827313578722 15.999 > 36 37 O 0.56269773303540 0.95337588912653 0.85936600057994 15.999 > 37 38 O 0.43730226696460 0.95337588912653 0.64063399942006 15.999 > 38 39 O 0.93730226696460 0.54662411087347 0.35936600057994 15.999 > 39 40 O 0.06269773303540 0.54662411087347 0.14063399942006 15.999 > 40 41 O 0.43730226696460 0.04662411087347 0.14063399942006 15.999 > 41 42 O 0.56269773303540 0.04662411087347 0.35936600057994 15.999 > 42 43 O 0.06269773303540 0.45337588912653 0.64063399942006 15.999 > 43 44 O 0.93730226696460 0.45337588912653 0.85936600057994 15.999 > 44 45 O 0.66012304636498 0.43225563130872 0.60756011455525 15.999 > 45 46 O 0.33987695363502 0.43225563130872 0.89243988544475 15.999 > 46 47 O 0.83987695363502 0.06774436869128 0.10756011455525 15.999 > 47 48 O 0.16012304636498 0.06774436869128 0.39243988544475 15.999 > 48 49 O 0.33987695363502 0.56774436869128 0.39243988544475 15.999 > 49 50 O 0.66012304636498 0.56774436869128 0.10756011455525 15.999 > 50 51 O 0.16012304636498 0.93225563130872 0.89243988544475 15.999 > 51 52 O 0.83987695363502 0.93225563130872 0.60756011455525 15.999 > 52 53 O 0.68189364338623 0.66719958032658 0.75719060251128 15.999 > 53 54 O 0.31810635661377 0.66719958032658 0.74280939748872 15.999 > 54 55 O 0.81810635661377 0.83280041967342 0.25719060251128 15.999 > 55 56 O 0.18189364338623 0.16719958032658 0.74280939748872 15.999 > 56 57 Mg 0.38934153860519 0.24607953682813 0.04141709581834 24.305 > 57 58 Mg 0.61065846139480 0.24607953682813 0.45858290418166 24.305 > 58 59 Mg 0.88934153860520 0.25392046317187 0.95858290418166 24.305 > 59 60 Mg 0.11065846139480 0.25392046317187 0.54141709581834 24.305 > 60 61 Mg 0.38934153860519 0.75392046317187 0.54141709581834 24.305 > 61 62 Mg 0.61065846139480 0.75392046317187 0.95858290418166 24.305 > 62 63 Mg 0.11065846139480 0.74607953682813 0.04141709581834 24.305 > 63 64 Mg 0.88934153860520 0.74607953682813 0.45858290418166 24.305 > 64 65 S 0.50000000000000 0.95294924648219 0.25000000000000 32.065 > 65 66 S 0.00000000000000 0.54705075351781 0.75000000000000 32.065 > 66 67 S 0.64848641095398 0.60493813633513 0.60465051255475 32.065 > 67 68 S 0.00000000000000 0.45294924648219 0.25000000000000 32.065 > 68 69 S 0.50000000000000 0.04705075351781 0.75000000000000 32.065 > 69 70 S 0.35151358904602 0.60493813633513 0.89534948744525 32.065 > 70 71 S 0.85151358904602 0.89506186366487 0.10465051255475 32.065 > 71 72 S 0.14848641095398 0.89506186366487 0.39534948744525 32.065 > 72 73 S 0.35151358904602 0.39506186366487 0.39534948744525 32.065 > 73 74 S 0.64848641095398 0.39506186366487 0.10465051255475 32.065 > 74 75 S 0.14848641095398 0.10493813633513 0.89534948744525 32.065 > 75 76 S 0.85151358904602 0.10493813633513 0.60465051255475 32.065 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.3929555 0.0000000 0.0000000 0.0000000 2.4061237 0.0000000 0.0000000 0.0000000 2.4007054 -------------------------- Born effective charges -------------------------- 1 Li 1.0540231 -0.0073761 0.0448503 -0.0066587 1.1077818 0.0055982 -0.0393997 0.0492475 1.1166632 2 Li 1.0540231 0.0073761 0.0448503 0.0066587 1.1077818 -0.0055982 -0.0393997 -0.0492475 1.1166632 3 Li 1.0540231 -0.0073761 -0.0448503 -0.0066587 1.1077818 -0.0055982 0.0393997 -0.0492475 1.1166632 4 Li 1.0540231 0.0073761 -0.0448503 0.0066587 1.1077818 0.0055982 0.0393997 0.0492475 1.1166632 5 Li 1.0540231 -0.0073761 0.0448503 -0.0066587 1.1077818 0.0055982 -0.0393997 0.0492475 1.1166632 6 Li 1.0540231 0.0073761 0.0448503 0.0066587 1.1077818 -0.0055982 -0.0393997 -0.0492475 1.1166632 7 Li 1.0540231 -0.0073761 -0.0448503 -0.0066587 1.1077818 -0.0055982 0.0393997 -0.0492475 1.1166632 8 Li 1.0540231 0.0073761 -0.0448503 0.0066587 1.1077818 0.0055982 0.0393997 0.0492475 1.1166632 9 O -1.1619377 0.1541080 -0.1400827 0.1447113 -1.1553333 0.5301432 -0.2227627 0.5088272 -2.0667146 10 O -1.6763327 0.4231964 -0.5795836 0.3819503 -1.1050829 0.3689495 -0.5402346 0.3557195 -1.6794880 11 O -1.6763327 -0.4231964 -0.5795836 -0.3819503 -1.1050829 -0.3689495 -0.5402346 -0.3557195 -1.6794880 12 O -1.6763327 0.4231964 0.5795836 0.3819503 -1.1050829 -0.3689495 0.5402346 -0.3557195 -1.6794880 13 O -1.6763327 -0.4231964 0.5795836 -0.3819503 -1.1050829 0.3689495 0.5402346 0.3557195 -1.6794880 14 O -1.6763327 0.4231964 -0.5795836 0.3819503 -1.1050829 0.3689495 -0.5402346 0.3557195 -1.6794880 15 O -1.6763327 -0.4231964 -0.5795836 -0.3819503 -1.1050829 -0.3689495 -0.5402346 -0.3557195 -1.6794880 16 O -1.6763327 0.4231964 0.5795836 0.3819503 -1.1050829 -0.3689495 0.5402346 -0.3557195 -1.6794880 17 O -1.6763327 -0.4231964 0.5795836 -0.3819503 -1.1050829 0.3689495 0.5402346 0.3557195 -1.6794880 18 O -2.1713957 -0.3872874 0.2387670 -0.4299045 -1.0423289 0.0774354 0.2021749 0.0430330 -0.9362524 19 O -2.1713957 0.3872874 0.2387670 0.4299045 -1.0423289 -0.0774354 0.2021749 -0.0430330 -0.9362524 20 O -2.1713957 -0.3872874 -0.2387670 -0.4299045 -1.0423289 -0.0774354 -0.2021749 -0.0430330 -0.9362524 21 O -2.1713957 0.3872874 -0.2387670 0.4299045 -1.0423289 0.0774354 -0.2021749 0.0430330 -0.9362524 22 O -2.1713957 -0.3872874 0.2387670 -0.4299045 -1.0423289 0.0774354 0.2021749 0.0430330 -0.9362524 23 O -2.1713957 0.3872874 0.2387670 0.4299045 -1.0423289 -0.0774354 0.2021749 -0.0430330 -0.9362524 24 O -2.1713957 -0.3872874 -0.2387670 -0.4299045 -1.0423289 -0.0774354 -0.2021749 -0.0430330 -0.9362524 25 O -2.1713957 0.3872874 -0.2387670 0.4299045 -1.0423289 0.0774354 -0.2021749 0.0430330 -0.9362524 26 O -1.1619377 0.1541080 0.1400827 0.1447113 -1.1553333 -0.5301432 0.2227627 -0.5088272 -2.0667146 27 O -1.1619377 0.1541080 0.1400827 0.1447113 -1.1553333 -0.5301432 0.2227627 -0.5088272 -2.0667146 28 O -1.1619377 -0.1541080 -0.1400827 -0.1447113 -1.1553333 -0.5301432 -0.2227627 -0.5088272 -2.0667146 29 O -1.4855313 -0.5799059 0.3765350 -0.5829048 -1.4998095 0.4090067 0.4676684 0.4902702 -1.4512223 30 O -1.4855313 0.5799059 0.3765350 0.5829048 -1.4998095 -0.4090067 0.4676684 -0.4902702 -1.4512223 31 O -1.4855313 -0.5799059 -0.3765350 -0.5829048 -1.4998095 -0.4090067 -0.4676684 -0.4902702 -1.4512223 32 O -1.4855313 0.5799059 -0.3765350 0.5829048 -1.4998095 0.4090067 -0.4676684 0.4902702 -1.4512223 33 O -1.4855313 -0.5799059 0.3765350 -0.5829048 -1.4998095 0.4090067 0.4676684 0.4902702 -1.4512223 34 O -1.4855313 0.5799059 0.3765350 0.5829048 -1.4998095 -0.4090067 0.4676684 -0.4902702 -1.4512223 35 O -1.4855313 -0.5799059 -0.3765350 -0.5829048 -1.4998095 -0.4090067 -0.4676684 -0.4902702 -1.4512223 36 O -1.4855313 0.5799059 -0.3765350 0.5829048 -1.4998095 0.4090067 -0.4676684 0.4902702 -1.4512223 37 O -1.1407913 0.3721072 -0.3803749 0.4478552 -1.5467890 0.5792244 -0.4002992 0.5268418 -1.4302673 38 O -1.1407913 -0.3721072 -0.3803749 -0.4478552 -1.5467890 -0.5792244 -0.4002992 -0.5268418 -1.4302673 39 O -1.1407913 0.3721072 0.3803749 0.4478552 -1.5467890 -0.5792244 0.4002992 -0.5268418 -1.4302673 40 O -1.1407913 -0.3721072 0.3803749 -0.4478552 -1.5467890 0.5792244 0.4002992 0.5268418 -1.4302673 41 O -1.1407913 0.3721072 -0.3803749 0.4478552 -1.5467890 0.5792244 -0.4002992 0.5268418 -1.4302673 42 O -1.1407913 -0.3721072 -0.3803749 -0.4478552 -1.5467890 -0.5792244 -0.4002992 -0.5268418 -1.4302673 43 O -1.1407913 0.3721072 0.3803749 0.4478552 -1.5467890 -0.5792244 0.4002992 -0.5268418 -1.4302673 44 O -1.1407913 -0.3721072 0.3803749 -0.4478552 -1.5467890 0.5792244 0.4002992 0.5268418 -1.4302673 45 O -0.9111450 -0.0286449 -0.0621379 0.0569291 -2.4073040 -0.0313238 -0.0517123 -0.0355272 -1.0384210 46 O -0.9111450 0.0286449 -0.0621379 -0.0569291 -2.4073040 0.0313238 -0.0517123 0.0355272 -1.0384210 47 O -0.9111450 -0.0286449 0.0621379 0.0569291 -2.4073040 0.0313238 0.0517123 0.0355272 -1.0384210 48 O -0.9111450 0.0286449 0.0621379 -0.0569291 -2.4073040 -0.0313238 0.0517123 -0.0355272 -1.0384210 49 O -0.9111450 -0.0286449 -0.0621379 0.0569291 -2.4073040 -0.0313238 -0.0517123 -0.0355272 -1.0384210 50 O -0.9111450 0.0286449 -0.0621379 -0.0569291 -2.4073040 0.0313238 -0.0517123 0.0355272 -1.0384210 51 O -0.9111450 -0.0286449 0.0621379 0.0569291 -2.4073040 0.0313238 0.0517123 0.0355272 -1.0384210 52 O -0.9111450 0.0286449 0.0621379 -0.0569291 -2.4073040 -0.0313238 0.0517123 -0.0355272 -1.0384210 53 O -1.1619377 -0.1541080 -0.1400827 -0.1447113 -1.1553333 -0.5301432 -0.2227627 -0.5088272 -2.0667146 54 O -1.1619377 0.1541080 -0.1400827 0.1447113 -1.1553333 0.5301432 -0.2227627 0.5088272 -2.0667146 55 O -1.1619377 -0.1541080 0.1400827 -0.1447113 -1.1553333 0.5301432 0.2227627 0.5088272 -2.0667146 56 O -1.1619377 -0.1541080 0.1400827 -0.1447113 -1.1553333 0.5301432 0.2227627 0.5088272 -2.0667146 57 Mg 2.3799856 0.0146591 0.0219796 -0.0280016 2.3674607 -0.0170385 0.1337013 0.0260375 2.3813246 58 Mg 2.3799856 -0.0146591 0.0219796 0.0280016 2.3674607 0.0170385 0.1337013 -0.0260375 2.3813246 59 Mg 2.3799856 -0.0146591 -0.0219796 0.0280016 2.3674607 -0.0170385 -0.1337013 0.0260375 2.3813246 60 Mg 2.3799856 0.0146591 -0.0219796 -0.0280016 2.3674607 0.0170385 -0.1337013 -0.0260375 2.3813246 61 Mg 2.3799856 -0.0146591 0.0219796 0.0280016 2.3674607 0.0170385 0.1337013 -0.0260375 2.3813246 62 Mg 2.3799856 0.0146591 0.0219796 -0.0280016 2.3674607 -0.0170385 0.1337013 0.0260375 2.3813246 63 Mg 2.3799856 -0.0146591 -0.0219796 0.0280016 2.3674607 -0.0170385 -0.1337013 0.0260375 2.3813246 64 Mg 2.3799856 0.0146591 -0.0219796 -0.0280016 2.3674607 0.0170385 -0.1337013 -0.0260375 2.3813246 65 S 3.2007994 0.0000000 -0.0103263 0.0000000 3.5786284 0.0000000 -0.2127716 -0.0000000 3.4667194 66 S 3.2007994 0.0000000 0.0103263 0.0000000 3.5786284 0.0000000 0.2127716 -0.0000000 3.4667194 67 S 3.5127253 0.1497405 -0.1485812 -0.0508243 3.4920907 0.0104859 -0.0248459 0.0861627 3.3710183 68 S 3.2007994 0.0000000 0.0103263 0.0000000 3.5786284 0.0000000 0.2127716 -0.0000000 3.4667194 69 S 3.2007994 0.0000000 -0.0103263 0.0000000 3.5786284 0.0000000 -0.2127716 -0.0000000 3.4667194 70 S 3.5127253 -0.1497405 -0.1485812 0.0508243 3.4920907 -0.0104859 -0.0248459 -0.0861627 3.3710183 71 S 3.5127253 0.1497405 0.1485812 -0.0508243 3.4920907 -0.0104859 0.0248459 -0.0861627 3.3710183 72 S 3.5127253 -0.1497405 0.1485812 0.0508243 3.4920907 0.0104859 0.0248459 0.0861627 3.3710183 73 S 3.5127253 0.1497405 -0.1485812 -0.0508243 3.4920907 0.0104859 -0.0248459 0.0861627 3.3710183 74 S 3.5127253 -0.1497405 -0.1485812 0.0508243 3.4920907 -0.0104859 -0.0248459 -0.0861627 3.3710183 75 S 3.5127253 0.1497405 0.1485812 -0.0508243 3.4920907 -0.0104859 0.0248459 -0.0861627 3.3710183 76 S 3.5127253 -0.1497405 0.1485812 0.0508243 3.4920907 0.0104859 0.0248459 0.0861627 3.3710183 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyy) -0.00000000 (yyy) -0.00000000 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- 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 ... [ 4 6 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.43, Number of G-points: 319, Lambda: 0.07 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/48) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 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 1.485 ( 0.000 0.000 0.000) 0.000 2.070 ( 0.000 0.000 0.000) 0.000 2.098 ( 0.000 0.000 0.000) 0.000 2.114 ( 0.000 0.000 0.000) 0.000 2.310 ( 0.000 0.000 0.000) 0.000 2.425 ( 0.000 0.000 0.000) 0.000 2.463 ( 0.000 0.000 0.000) 0.000 2.629 ( 0.000 0.000 0.000) 0.000 2.828 ( 0.000 0.000 0.000) 0.000 2.863 ( 0.000 0.000 0.000) 0.000 2.864 ( 0.000 0.000 0.000) 0.000 2.927 ( 0.000 0.000 0.000) 0.000 3.009 ( 0.000 0.000 0.000) 0.000 3.041 ( 0.000 0.000 0.000) 0.000 3.105 ( 0.000 0.000 0.000) 0.000 3.220 ( 0.000 0.000 0.000) 0.000 3.325 ( 0.000 0.000 0.000) 0.000 3.347 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.526 ( 0.000 0.000 0.000) 0.000 3.591 ( 0.000 0.000 0.000) 0.000 3.648 ( 0.000 0.000 0.000) 0.000 3.826 ( 0.000 0.000 0.000) 0.000 3.830 ( 0.000 0.000 0.000) 0.000 3.930 ( 0.000 0.000 0.000) 0.000 3.935 ( 0.000 0.000 0.000) 0.000 4.067 ( 0.000 0.000 0.000) 0.000 4.179 ( 0.000 0.000 0.000) 0.000 4.214 ( 0.000 0.000 0.000) 0.000 4.335 ( 0.000 0.000 0.000) 0.000 4.375 ( 0.000 0.000 0.000) 0.000 4.385 ( 0.000 0.000 0.000) 0.000 4.479 ( 0.000 0.000 0.000) 0.000 4.604 ( 0.000 0.000 0.000) 0.000 4.656 ( 0.000 0.000 0.000) 0.000 4.661 ( 0.000 0.000 0.000) 0.000 4.672 ( 0.000 0.000 0.000) 0.000 4.707 ( 0.000 0.000 0.000) 0.000 4.775 ( 0.000 0.000 0.000) 0.000 5.075 ( 0.000 0.000 0.000) 0.000 5.096 ( 0.000 0.000 0.000) 0.000 5.134 ( 0.000 0.000 0.000) 0.000 5.137 ( 0.000 0.000 0.000) 0.000 5.148 ( 0.000 0.000 0.000) 0.000 5.244 ( 0.000 0.000 0.000) 0.000 5.326 ( 0.000 0.000 0.000) 0.000 5.334 ( 0.000 0.000 0.000) 0.000 5.341 ( 0.000 0.000 0.000) 0.000 5.361 ( 0.000 0.000 0.000) 0.000 5.367 ( 0.000 0.000 0.000) 0.000 5.447 ( 0.000 0.000 0.000) 0.000 5.499 ( 0.000 0.000 0.000) 0.000 5.674 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.762 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.808 ( 0.000 0.000 0.000) 0.000 6.002 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.131 ( 0.000 0.000 0.000) 0.000 6.151 ( 0.000 0.000 0.000) 0.000 6.235 ( 0.000 0.000 0.000) 0.000 6.353 ( 0.000 0.000 0.000) 0.000 6.507 ( 0.000 0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.819 ( 0.000 0.000 0.000) 0.000 7.451 ( 0.000 0.000 0.000) 0.000 7.702 ( 0.000 0.000 0.000) 0.000 8.405 ( 0.000 0.000 0.000) 0.000 8.487 ( 0.000 0.000 0.000) 0.000 8.772 ( 0.000 0.000 0.000) 0.000 8.791 ( 0.000 0.000 0.000) 0.000 8.858 ( 0.000 0.000 0.000) 0.000 8.876 ( 0.000 0.000 0.000) 0.000 8.934 ( 0.000 0.000 0.000) 0.000 9.041 ( 0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.391 ( 0.000 0.000 0.000) 0.000 9.429 ( 0.000 0.000 0.000) 0.000 9.488 ( 0.000 0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.522 ( 0.000 0.000 0.000) 0.000 9.533 ( 0.000 0.000 0.000) 0.000 9.614 ( 0.000 0.000 0.000) 0.000 9.826 ( 0.000 0.000 0.000) 0.000 9.835 ( 0.000 0.000 0.000) 0.000 9.841 ( 0.000 0.000 0.000) 0.000 9.857 ( 0.000 0.000 0.000) 0.000 10.002 ( 0.000 0.000 0.000) 0.000 10.003 ( 0.000 0.000 0.000) 0.000 10.045 ( 0.000 0.000 0.000) 0.000 10.278 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.487 ( 0.000 0.000 0.000) 0.000 10.506 ( 0.000 0.000 0.000) 0.000 10.577 ( 0.000 0.000 0.000) 0.000 10.780 ( 0.000 0.000 0.000) 0.000 10.859 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 11.005 ( 0.000 0.000 0.000) 0.000 11.105 ( 0.000 0.000 0.000) 0.000 11.121 ( 0.000 0.000 0.000) 0.000 11.194 ( 0.000 0.000 0.000) 0.000 11.394 ( 0.000 0.000 0.000) 0.000 11.558 ( 0.000 0.000 0.000) 0.000 11.578 ( 0.000 0.000 0.000) 0.000 11.621 ( 0.000 0.000 0.000) 0.000 12.217 ( 0.000 0.000 0.000) 0.000 12.863 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 13.130 ( 0.000 0.000 0.000) 0.000 13.149 ( 0.000 0.000 0.000) 0.000 13.205 ( 0.000 0.000 0.000) 0.000 13.226 ( 0.000 0.000 0.000) 0.000 13.237 ( 0.000 0.000 0.000) 0.000 13.245 ( 0.000 0.000 0.000) 0.000 13.327 ( 0.000 0.000 0.000) 0.000 13.403 ( 0.000 0.000 0.000) 0.000 13.422 ( 0.000 0.000 0.000) 0.000 13.567 ( 0.000 0.000 0.000) 0.000 13.649 ( 0.000 0.000 0.000) 0.000 13.726 ( 0.000 0.000 0.000) 0.000 13.735 ( 0.000 0.000 0.000) 0.000 13.828 ( 0.000 0.000 0.000) 0.000 13.953 ( 0.000 0.000 0.000) 0.000 13.976 ( 0.000 0.000 0.000) 0.000 13.980 ( 0.000 0.000 0.000) 0.000 14.021 ( 0.000 0.000 0.000) 0.000 14.063 ( 0.000 0.000 0.000) 0.000 14.179 ( 0.000 0.000 0.000) 0.000 14.200 ( 0.000 0.000 0.000) 0.000 14.888 ( 0.000 0.000 0.000) 0.000 15.157 ( 0.000 0.000 0.000) 0.000 15.577 ( 0.000 0.000 0.000) 0.000 15.650 ( 0.000 0.000 0.000) 0.000 16.151 ( 0.000 0.000 0.000) 0.000 16.168 ( 0.000 0.000 0.000) 0.000 16.218 ( 0.000 0.000 0.000) 0.000 16.523 ( 0.000 0.000 0.000) 0.000 17.514 ( 0.000 0.000 0.000) 0.000 17.567 ( 0.000 0.000 0.000) 0.000 17.614 ( 0.000 0.000 0.000) 0.000 17.615 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 17.654 ( 0.000 0.000 0.000) 0.000 17.659 ( 0.000 0.000 0.000) 0.000 17.741 ( 0.000 0.000 0.000) 0.000 17.885 ( 0.000 0.000 0.000) 0.000 17.973 ( 0.000 0.000 0.000) 0.000 17.979 ( 0.000 0.000 0.000) 0.000 17.991 ( 0.000 0.000 0.000) 0.000 18.027 ( 0.000 0.000 0.000) 0.000 18.036 ( 0.000 0.000 0.000) 0.000 18.106 ( 0.000 0.000 0.000) 0.000 18.158 ( 0.000 0.000 0.000) 0.000 18.233 ( 0.000 0.000 0.000) 0.000 18.322 ( 0.000 0.000 0.000) 0.000 18.462 ( 0.000 0.000 0.000) 0.000 18.505 ( 0.000 0.000 0.000) 0.000 18.650 ( 0.000 0.000 0.000) 0.000 18.765 ( 0.000 0.000 0.000) 0.000 18.959 ( 0.000 0.000 0.000) 0.000 19.029 ( 0.000 0.000 0.000) 0.000 19.344 ( 0.000 0.000 0.000) 0.000 19.381 ( 0.000 0.000 0.000) 0.000 19.505 ( 0.000 0.000 0.000) 0.000 19.554 ( 0.000 0.000 0.000) 0.000 19.587 ( 0.000 0.000 0.000) 0.000 19.607 ( 0.000 0.000 0.000) 0.000 19.630 ( 0.000 0.000 0.000) 0.000 19.908 ( 0.000 0.000 0.000) 0.000 19.960 ( 0.000 0.000 0.000) 0.000 19.975 ( 0.000 0.000 0.000) 0.000 20.013 ( 0.000 0.000 0.000) 0.000 20.072 ( 0.000 0.000 0.000) 0.000 29.622 ( 0.000 0.000 0.000) 0.000 29.764 ( 0.000 0.000 0.000) 0.000 29.822 ( 0.000 0.000 0.000) 0.000 29.881 ( 0.000 0.000 0.000) 0.000 29.923 ( 0.000 0.000 0.000) 0.000 29.952 ( 0.000 0.000 0.000) 0.000 30.009 ( 0.000 0.000 0.000) 0.000 30.020 ( 0.000 0.000 0.000) 0.000 30.659 ( 0.000 0.000 0.000) 0.000 30.664 ( 0.000 0.000 0.000) 0.000 30.678 ( 0.000 0.000 0.000) 0.000 30.702 ( 0.000 0.000 0.000) 0.000 31.387 ( 0.000 0.000 0.000) 0.000 31.490 ( 0.000 0.000 0.000) 0.000 31.503 ( 0.000 0.000 0.000) 0.000 31.625 ( 0.000 0.000 0.000) 0.000 31.745 ( 0.000 0.000 0.000) 0.000 31.821 ( 0.000 0.000 0.000) 0.000 31.913 ( 0.000 0.000 0.000) 0.000 31.936 ( 0.000 0.000 0.000) 0.000 32.023 ( 0.000 0.000 0.000) 0.000 32.082 ( 0.000 0.000 0.000) 0.000 32.294 ( 0.000 0.000 0.000) 0.000 32.302 ( 0.000 0.000 0.000) 0.000 32.709 ( 0.000 0.000 0.000) 0.000 32.842 ( 0.000 0.000 0.000) 0.000 33.187 ( 0.000 0.000 0.000) 0.000 33.251 ( 0.000 0.000 0.000) 0.000 33.292 ( 0.000 0.000 0.000) 0.000 33.382 ( 0.000 0.000 0.000) 0.000 33.521 ( 0.000 0.000 0.000) 0.000 34.063 ( 0.000 0.000 0.000) 0.000 34.177 ( 0.000 0.000 0.000) 0.000 34.257 ( 0.000 0.000 0.000) 0.000 34.416 ( 0.000 0.000 0.000) 0.000 34.887 ( 0.000 0.000 0.000) 0.000 35.129 ( 0.000 0.000 0.000) 0.000 35.234 ( 0.000 0.000 0.000) 0.000 35.299 ( 0.000 0.000 0.000) 0.000 35.352 ( 0.000 0.000 0.000) 0.000 35.776 ( 0.000 0.000 0.000) 0.000 36.152 ( 0.000 0.000 0.000) 0.000 36.197 ( 0.000 0.000 0.000) 0.000 36.521 ( 0.000 0.000 0.000) 0.000 36.618 ( 0.000 0.000 0.000) 0.000 37.070 ( 0.000 0.000 0.000) 0.000 37.099 ( 0.000 0.000 0.000) 0.000 38.054 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/48) ======================= q-point: ( 0.25 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.676 ( 34.091 0.000 0.000) 34.091 0.802 ( 38.403 0.000 0.000) 38.403 1.281 ( 59.754 0.000 0.000) 59.754 1.702 ( 18.500 0.000 0.000) 18.500 2.034 ( -23.765 0.000 0.000) 23.765 2.069 ( -4.958 0.000 0.000) 4.958 2.119 ( 2.123 0.000 0.000) 2.123 2.194 ( 1.341 0.000 0.000) 1.341 2.329 ( -27.660 0.000 0.000) 27.660 2.443 ( 5.897 0.000 0.000) 5.897 2.560 ( -6.323 0.000 0.000) 6.323 2.591 ( 10.081 0.000 0.000) 10.081 2.682 ( -12.587 0.000 0.000) 12.587 2.967 ( 6.213 0.000 0.000) 6.213 3.016 ( -6.446 0.000 0.000) 6.446 3.044 ( 12.914 0.000 0.000) 12.914 3.087 ( -1.512 0.000 0.000) 1.512 3.137 ( -5.299 0.000 0.000) 5.299 3.215 ( -1.204 0.000 0.000) 1.204 3.351 ( -13.498 0.000 0.000) 13.498 3.357 ( 11.504 0.000 0.000) 11.504 3.434 ( 1.678 0.000 0.000) 1.678 3.463 ( -0.407 0.000 0.000) 0.407 3.565 ( 4.390 0.000 0.000) 4.390 3.819 ( 10.138 0.000 0.000) 10.138 3.912 ( -3.441 0.000 0.000) 3.441 3.952 ( 3.962 0.000 0.000) 3.962 3.993 ( 16.939 0.000 0.000) 16.939 4.023 ( -9.829 0.000 0.000) 9.829 4.025 ( 6.385 0.000 0.000) 6.385 4.145 ( 6.638 0.000 0.000) 6.638 4.152 ( -29.733 0.000 0.000) 29.733 4.300 ( 11.121 0.000 0.000) 11.121 4.323 ( -4.643 0.000 0.000) 4.643 4.323 ( -5.610 0.000 0.000) 5.610 4.385 ( -3.669 0.000 0.000) 3.669 4.598 ( -1.933 0.000 0.000) 1.933 4.620 ( 3.728 0.000 0.000) 3.728 4.668 ( -4.986 0.000 0.000) 4.986 4.687 ( 0.272 0.000 0.000) 0.272 4.691 ( 1.846 0.000 0.000) 1.846 4.704 ( 3.004 0.000 0.000) 3.004 4.924 ( -16.623 0.000 0.000) 16.623 5.094 ( -6.237 0.000 0.000) 6.237 5.098 ( 2.298 0.000 0.000) 2.298 5.178 ( 3.294 0.000 0.000) 3.294 5.231 ( 5.417 0.000 0.000) 5.417 5.254 ( 2.844 0.000 0.000) 2.844 5.262 ( 1.618 0.000 0.000) 1.618 5.295 ( -4.029 0.000 0.000) 4.029 5.342 ( 0.669 0.000 0.000) 0.669 5.398 ( -0.729 0.000 0.000) 0.729 5.461 ( 1.747 0.000 0.000) 1.747 5.482 ( -0.560 0.000 0.000) 0.560 5.622 ( -4.264 0.000 0.000) 4.264 5.667 ( 14.232 0.000 0.000) 14.232 5.675 ( -4.895 0.000 0.000) 4.895 5.700 ( -7.912 0.000 0.000) 7.912 5.756 ( 1.837 0.000 0.000) 1.837 5.756 ( -2.061 0.000 0.000) 2.061 6.008 ( -1.167 0.000 0.000) 1.167 6.011 ( -1.617 0.000 0.000) 1.617 6.152 ( 2.096 0.000 0.000) 2.096 6.204 ( 4.029 0.000 0.000) 4.029 6.270 ( -2.821 0.000 0.000) 2.821 6.339 ( -1.501 0.000 0.000) 1.501 6.566 ( 4.363 0.000 0.000) 4.363 6.571 ( -1.425 0.000 0.000) 1.425 6.627 ( -2.862 0.000 0.000) 2.862 6.738 ( -5.975 0.000 0.000) 5.975 7.490 ( 3.413 0.000 0.000) 3.413 7.664 ( -3.484 0.000 0.000) 3.484 8.408 ( 0.335 0.000 0.000) 0.335 8.460 ( -2.027 0.000 0.000) 2.027 8.770 ( 0.131 0.000 0.000) 0.131 8.814 ( 1.770 0.000 0.000) 1.770 8.826 ( -2.694 0.000 0.000) 2.694 8.859 ( -0.124 0.000 0.000) 0.124 8.977 ( 2.246 0.000 0.000) 2.246 9.034 ( -0.703 0.000 0.000) 0.703 9.368 ( 5.304 0.000 0.000) 5.304 9.409 ( 1.657 0.000 0.000) 1.657 9.434 ( 0.805 0.000 0.000) 0.805 9.501 ( -1.882 0.000 0.000) 1.882 9.508 ( -0.005 0.000 0.000) 0.005 9.613 ( 5.358 0.000 0.000) 5.358 9.638 ( 2.015 0.000 0.000) 2.015 9.740 ( -5.903 0.000 0.000) 5.903 9.749 ( -3.356 0.000 0.000) 3.356 9.892 ( -5.593 0.000 0.000) 5.593 9.939 ( 6.577 0.000 0.000) 6.577 9.955 ( 5.931 0.000 0.000) 5.931 10.095 ( 3.747 0.000 0.000) 3.747 10.101 ( 3.605 0.000 0.000) 3.605 10.290 ( 1.450 0.000 0.000) 1.450 10.371 ( -0.341 0.000 0.000) 0.341 10.467 ( -2.767 0.000 0.000) 2.767 10.467 ( -3.459 0.000 0.000) 3.459 10.610 ( 3.027 0.000 0.000) 3.027 10.626 ( -0.776 0.000 0.000) 0.776 10.759 ( -2.251 0.000 0.000) 2.251 10.799 ( -5.611 0.000 0.000) 5.611 11.025 ( 1.800 0.000 0.000) 1.800 11.062 ( -1.913 0.000 0.000) 1.913 11.096 ( -2.018 0.000 0.000) 2.018 11.145 ( -3.723 0.000 0.000) 3.723 11.386 ( 3.342 0.000 0.000) 3.342 11.451 ( 2.983 0.000 0.000) 2.983 11.590 ( 2.108 0.000 0.000) 2.108 11.592 ( 1.231 0.000 0.000) 1.231 12.220 ( 1.040 0.000 0.000) 1.040 12.381 ( -4.086 0.000 0.000) 4.086 12.865 ( 0.089 0.000 0.000) 0.089 12.878 ( -1.002 0.000 0.000) 1.002 13.001 ( 4.141 0.000 0.000) 4.141 13.138 ( 1.377 0.000 0.000) 1.377 13.194 ( -3.757 0.000 0.000) 3.757 13.201 ( -0.565 0.000 0.000) 0.565 13.221 ( 5.712 0.000 0.000) 5.712 13.223 ( -0.065 0.000 0.000) 0.065 13.244 ( -0.413 0.000 0.000) 0.413 13.409 ( 0.790 0.000 0.000) 0.790 13.415 ( -1.278 0.000 0.000) 1.278 13.519 ( -3.699 0.000 0.000) 3.699 13.574 ( 2.681 0.000 0.000) 2.681 13.644 ( -0.492 0.000 0.000) 0.492 13.731 ( 0.371 0.000 0.000) 0.371 13.740 ( 0.166 0.000 0.000) 0.166 13.798 ( -1.504 0.000 0.000) 1.504 13.942 ( -3.941 0.000 0.000) 3.941 14.002 ( 3.990 0.000 0.000) 3.990 14.018 ( -0.162 0.000 0.000) 0.162 14.037 ( -1.659 0.000 0.000) 1.659 14.153 ( -2.361 0.000 0.000) 2.361 14.161 ( 1.484 0.000 0.000) 1.484 14.191 ( -0.575 0.000 0.000) 0.575 15.042 ( 1.334 0.000 0.000) 1.334 15.136 ( -1.986 0.000 0.000) 1.986 15.590 ( 1.164 0.000 0.000) 1.164 15.643 ( -0.776 0.000 0.000) 0.776 16.144 ( -0.572 0.000 0.000) 0.572 16.152 ( -1.168 0.000 0.000) 1.168 16.248 ( 2.961 0.000 0.000) 2.961 16.462 ( -5.294 0.000 0.000) 5.294 17.530 ( 1.423 0.000 0.000) 1.423 17.572 ( 0.466 0.000 0.000) 0.466 17.601 ( -0.859 0.000 0.000) 0.859 17.602 ( -1.603 0.000 0.000) 1.603 17.620 ( 0.465 0.000 0.000) 0.465 17.648 ( -0.555 0.000 0.000) 0.555 17.684 ( 2.025 0.000 0.000) 2.025 17.771 ( -1.219 0.000 0.000) 1.219 17.931 ( 0.133 0.000 0.000) 0.133 17.955 ( -0.158 0.000 0.000) 0.158 17.975 ( -0.402 0.000 0.000) 0.402 18.023 ( -1.869 0.000 0.000) 1.869 18.053 ( 3.992 0.000 0.000) 3.992 18.090 ( 3.855 0.000 0.000) 3.855 18.113 ( 2.204 0.000 0.000) 2.204 18.164 ( -0.137 0.000 0.000) 0.137 18.231 ( -0.555 0.000 0.000) 0.555 18.293 ( -2.709 0.000 0.000) 2.709 18.487 ( 2.237 0.000 0.000) 2.237 18.540 ( 3.492 0.000 0.000) 3.492 18.618 ( -2.856 0.000 0.000) 2.856 18.730 ( -3.315 0.000 0.000) 3.315 18.971 ( 1.066 0.000 0.000) 1.066 19.020 ( -0.869 0.000 0.000) 0.869 19.379 ( 3.184 0.000 0.000) 3.184 19.398 ( 1.629 0.000 0.000) 1.629 19.492 ( -1.482 0.000 0.000) 1.482 19.528 ( -2.480 0.000 0.000) 2.480 19.598 ( -0.704 0.000 0.000) 0.704 19.605 ( -1.644 0.000 0.000) 1.644 19.878 ( 1.308 0.000 0.000) 1.308 19.947 ( -1.253 0.000 0.000) 1.253 20.000 ( 1.957 0.000 0.000) 1.957 20.023 ( 0.975 0.000 0.000) 0.975 20.065 ( -0.776 0.000 0.000) 0.776 20.073 ( -0.898 0.000 0.000) 0.898 29.720 ( 1.863 0.000 0.000) 1.863 29.768 ( 0.367 0.000 0.000) 0.367 29.803 ( -1.266 0.000 0.000) 1.266 29.855 ( -4.065 0.000 0.000) 4.065 29.909 ( 2.150 0.000 0.000) 2.150 29.994 ( -1.380 0.000 0.000) 1.380 29.997 ( 1.964 0.000 0.000) 1.964 30.023 ( 0.199 0.000 0.000) 0.199 30.659 ( 0.033 0.000 0.000) 0.033 30.663 ( -0.093 0.000 0.000) 0.093 30.681 ( 0.333 0.000 0.000) 0.333 30.698 ( -0.302 0.000 0.000) 0.302 31.404 ( 1.523 0.000 0.000) 1.523 31.477 ( -1.270 0.000 0.000) 1.270 31.662 ( 3.120 0.000 0.000) 3.120 31.745 ( -0.166 0.000 0.000) 0.166 31.788 ( 0.511 0.000 0.000) 0.511 31.816 ( -0.489 0.000 0.000) 0.489 31.902 ( -0.840 0.000 0.000) 0.840 31.916 ( -1.413 0.000 0.000) 1.413 32.038 ( 1.447 0.000 0.000) 1.447 32.155 ( 6.982 0.000 0.000) 6.982 32.163 ( -5.126 0.000 0.000) 5.126 32.490 ( 10.351 0.000 0.000) 10.351 32.667 ( -14.215 0.000 0.000) 14.215 32.890 ( -6.693 0.000 0.000) 6.693 33.239 ( 2.777 0.000 0.000) 2.777 33.313 ( 2.029 0.000 0.000) 2.029 33.449 ( -3.269 0.000 0.000) 3.269 33.467 ( -4.880 0.000 0.000) 4.880 33.564 ( 11.198 0.000 0.000) 11.198 33.945 ( -7.834 0.000 0.000) 7.834 34.219 ( 3.674 0.000 0.000) 3.674 34.385 ( -2.862 0.000 0.000) 2.862 34.426 ( 12.161 0.000 0.000) 12.161 34.857 ( -4.080 0.000 0.000) 4.080 35.167 ( 3.639 0.000 0.000) 3.639 35.198 ( -1.923 0.000 0.000) 1.923 35.270 ( -2.583 0.000 0.000) 2.583 35.413 ( -7.074 0.000 0.000) 7.074 35.879 ( 7.363 0.000 0.000) 7.363 36.120 ( -3.170 0.000 0.000) 3.170 36.541 ( 1.729 0.000 0.000) 1.729 36.609 ( -0.954 0.000 0.000) 0.954 37.080 ( 0.797 0.000 0.000) 0.797 37.100 ( 0.043 0.000 0.000) 0.043 38.063 ( 0.886 0.000 0.000) 0.886 38.116 ( -1.135 0.000 0.000) 1.135 ======================= Grid point 2 (3/48) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -34.569 0.000 0.000) 34.569 1.390 ( 34.569 0.000 0.000) 34.569 1.565 ( -35.294 0.000 0.000) 35.294 1.565 ( 35.294 0.000 0.000) 35.294 2.115 ( -17.477 0.000 0.000) 17.477 2.115 ( 17.477 0.000 0.000) 17.477 2.131 ( -0.061 0.000 0.000) 0.061 2.131 ( 0.061 0.000 0.000) 0.061 2.361 ( -39.678 0.000 0.000) 39.678 2.361 ( 39.678 0.000 0.000) 39.678 2.421 ( -4.209 0.000 0.000) 4.209 2.421 ( 4.209 0.000 0.000) 4.209 2.759 ( -13.725 0.000 0.000) 13.725 2.759 ( 13.725 0.000 0.000) 13.725 3.048 ( -3.355 0.000 0.000) 3.355 3.048 ( 3.355 0.000 0.000) 3.355 3.160 ( -3.360 0.000 0.000) 3.360 3.160 ( 3.360 0.000 0.000) 3.360 3.285 ( -12.072 0.000 0.000) 12.072 3.285 ( 12.072 0.000 0.000) 12.072 3.455 ( -0.811 0.000 0.000) 0.811 3.455 ( 0.811 0.000 0.000) 0.811 3.461 ( -24.436 0.000 0.000) 24.436 3.461 ( 24.436 0.000 0.000) 24.436 3.798 ( -10.683 0.000 0.000) 10.683 3.798 ( 10.683 0.000 0.000) 10.683 3.958 ( -6.193 0.000 0.000) 6.193 3.958 ( 6.193 0.000 0.000) 6.193 4.025 ( -8.243 0.000 0.000) 8.243 4.025 ( 8.243 0.000 0.000) 8.243 4.209 ( -4.360 0.000 0.000) 4.360 4.209 ( 4.360 0.000 0.000) 4.360 4.351 ( -4.126 0.000 0.000) 4.126 4.351 ( 4.126 0.000 0.000) 4.126 4.452 ( -17.398 0.000 0.000) 17.398 4.452 ( 17.398 0.000 0.000) 17.398 4.544 ( -12.902 0.000 0.000) 12.902 4.544 ( 12.902 0.000 0.000) 12.902 4.550 ( -3.151 0.000 0.000) 3.151 4.550 ( 3.151 0.000 0.000) 3.151 4.737 ( -0.164 0.000 0.000) 0.164 4.737 ( 0.164 0.000 0.000) 0.164 4.905 ( -11.183 0.000 0.000) 11.183 4.905 ( 11.183 0.000 0.000) 11.183 5.181 ( -5.109 0.000 0.000) 5.109 5.181 ( 5.109 0.000 0.000) 5.109 5.234 ( -1.463 0.000 0.000) 1.463 5.234 ( 1.463 0.000 0.000) 1.463 5.314 ( -5.146 0.000 0.000) 5.146 5.314 ( 5.146 0.000 0.000) 5.146 5.346 ( -4.232 0.000 0.000) 4.232 5.346 ( 4.232 0.000 0.000) 4.232 5.509 ( -1.378 0.000 0.000) 1.378 5.509 ( 1.378 0.000 0.000) 1.378 5.565 ( -3.357 0.000 0.000) 3.357 5.565 ( 3.357 0.000 0.000) 3.357 5.692 ( -4.415 0.000 0.000) 4.415 5.692 ( 4.415 0.000 0.000) 4.415 5.813 ( -1.650 0.000 0.000) 1.650 5.813 ( 1.650 0.000 0.000) 1.650 5.963 ( -1.040 0.000 0.000) 1.040 5.963 ( 1.040 0.000 0.000) 1.040 6.207 ( -2.986 0.000 0.000) 2.986 6.207 ( 2.986 0.000 0.000) 2.986 6.287 ( -3.570 0.000 0.000) 3.570 6.287 ( 3.570 0.000 0.000) 3.570 6.571 ( -1.773 0.000 0.000) 1.773 6.571 ( 1.773 0.000 0.000) 1.773 6.644 ( -3.313 0.000 0.000) 3.313 6.644 ( 3.313 0.000 0.000) 3.313 7.576 ( -4.611 0.000 0.000) 4.611 7.576 ( 4.611 0.000 0.000) 4.611 8.423 ( -1.293 0.000 0.000) 1.293 8.423 ( 1.293 0.000 0.000) 1.293 8.785 ( -1.350 0.000 0.000) 1.350 8.785 ( 1.350 0.000 0.000) 1.350 8.847 ( -1.165 0.000 0.000) 1.165 8.847 ( 1.165 0.000 0.000) 1.165 9.013 ( -1.317 0.000 0.000) 1.317 9.013 ( 1.317 0.000 0.000) 1.317 9.449 ( -0.359 0.000 0.000) 0.359 9.449 ( 0.359 0.000 0.000) 0.359 9.453 ( -2.466 0.000 0.000) 2.466 9.453 ( 2.466 0.000 0.000) 2.466 9.560 ( -6.403 0.000 0.000) 6.403 9.560 ( 6.403 0.000 0.000) 6.403 9.688 ( -2.691 0.000 0.000) 2.691 9.688 ( 2.691 0.000 0.000) 2.691 9.774 ( -5.886 0.000 0.000) 5.886 9.774 ( 5.886 0.000 0.000) 5.886 10.029 ( -0.154 0.000 0.000) 0.154 10.029 ( 0.154 0.000 0.000) 0.154 10.142 ( -0.272 0.000 0.000) 0.272 10.142 ( 0.272 0.000 0.000) 0.272 10.363 ( -5.800 0.000 0.000) 5.800 10.363 ( 5.800 0.000 0.000) 5.800 10.393 ( -2.823 0.000 0.000) 2.823 10.393 ( 2.823 0.000 0.000) 2.823 10.672 ( -5.251 0.000 0.000) 5.251 10.672 ( 5.251 0.000 0.000) 5.251 10.689 ( -4.155 0.000 0.000) 4.155 10.689 ( 4.155 0.000 0.000) 4.155 11.058 ( -1.219 0.000 0.000) 1.219 11.058 ( 1.219 0.000 0.000) 1.219 11.074 ( -2.949 0.000 0.000) 2.949 11.074 ( 2.949 0.000 0.000) 2.949 11.456 ( -2.433 0.000 0.000) 2.433 11.456 ( 2.433 0.000 0.000) 2.433 11.612 ( -0.196 0.000 0.000) 0.196 11.612 ( 0.196 0.000 0.000) 0.196 12.282 ( -4.719 0.000 0.000) 4.719 12.282 ( 4.719 0.000 0.000) 4.719 12.867 ( -0.183 0.000 0.000) 0.183 12.867 ( 0.183 0.000 0.000) 0.183 13.099 ( -5.042 0.000 0.000) 5.042 13.099 ( 5.042 0.000 0.000) 5.042 13.175 ( -1.834 0.000 0.000) 1.834 13.175 ( 1.834 0.000 0.000) 1.834 13.230 ( -0.698 0.000 0.000) 0.698 13.230 ( 0.698 0.000 0.000) 0.698 13.346 ( -5.415 0.000 0.000) 5.415 13.346 ( 5.415 0.000 0.000) 5.415 13.447 ( -2.918 0.000 0.000) 2.918 13.447 ( 2.918 0.000 0.000) 2.918 13.624 ( -1.627 0.000 0.000) 1.627 13.624 ( 1.627 0.000 0.000) 1.627 13.738 ( -0.260 0.000 0.000) 0.260 13.738 ( 0.260 0.000 0.000) 0.260 13.831 ( -5.011 0.000 0.000) 5.011 13.831 ( 5.011 0.000 0.000) 5.011 14.018 ( -0.295 0.000 0.000) 0.295 14.018 ( 0.295 0.000 0.000) 0.295 14.087 ( -3.888 0.000 0.000) 3.888 14.087 ( 3.888 0.000 0.000) 3.888 14.181 ( -0.536 0.000 0.000) 0.536 14.181 ( 0.536 0.000 0.000) 0.536 15.085 ( -2.635 0.000 0.000) 2.635 15.085 ( 2.635 0.000 0.000) 2.635 15.619 ( -1.457 0.000 0.000) 1.457 15.619 ( 1.457 0.000 0.000) 1.457 16.137 ( -0.128 0.000 0.000) 0.128 16.137 ( 0.128 0.000 0.000) 0.128 16.340 ( -5.783 0.000 0.000) 5.783 16.340 ( 5.783 0.000 0.000) 5.783 17.565 ( -1.847 0.000 0.000) 1.847 17.565 ( 1.847 0.000 0.000) 1.847 17.585 ( -0.723 0.000 0.000) 0.723 17.585 ( 0.723 0.000 0.000) 0.723 17.634 ( -0.784 0.000 0.000) 0.784 17.634 ( 0.784 0.000 0.000) 0.784 17.731 ( -2.397 0.000 0.000) 2.397 17.731 ( 2.397 0.000 0.000) 2.397 17.963 ( -0.647 0.000 0.000) 0.647 17.963 ( 0.647 0.000 0.000) 0.647 17.965 ( -2.819 0.000 0.000) 2.819 17.965 ( 2.819 0.000 0.000) 2.819 18.130 ( -3.090 0.000 0.000) 3.090 18.130 ( 3.090 0.000 0.000) 3.090 18.154 ( -0.992 0.000 0.000) 0.992 18.154 ( 0.992 0.000 0.000) 0.992 18.229 ( -2.241 0.000 0.000) 2.241 18.229 ( 2.241 0.000 0.000) 2.241 18.548 ( -3.503 0.000 0.000) 3.503 18.548 ( 3.503 0.000 0.000) 3.503 18.637 ( -5.278 0.000 0.000) 5.278 18.637 ( 5.278 0.000 0.000) 5.278 18.997 ( -1.289 0.000 0.000) 1.289 18.997 ( 1.289 0.000 0.000) 1.289 19.445 ( -2.705 0.000 0.000) 2.705 19.445 ( 2.705 0.000 0.000) 2.705 19.458 ( -4.027 0.000 0.000) 4.027 19.458 ( 4.027 0.000 0.000) 4.027 19.588 ( -0.045 0.000 0.000) 0.045 19.588 ( 0.045 0.000 0.000) 0.045 19.913 ( -1.870 0.000 0.000) 1.870 19.913 ( 1.870 0.000 0.000) 1.870 20.039 ( -1.681 0.000 0.000) 1.681 20.039 ( 1.681 0.000 0.000) 1.681 20.048 ( -1.337 0.000 0.000) 1.337 20.048 ( 1.337 0.000 0.000) 1.337 29.776 ( -3.437 0.000 0.000) 3.437 29.776 ( 3.437 0.000 0.000) 3.437 29.780 ( -0.861 0.000 0.000) 0.861 29.780 ( 0.861 0.000 0.000) 0.861 29.956 ( -2.200 0.000 0.000) 2.200 29.956 ( 2.200 0.000 0.000) 2.200 30.022 ( -0.488 0.000 0.000) 0.488 30.022 ( 0.488 0.000 0.000) 0.488 30.661 ( -0.106 0.000 0.000) 0.106 30.661 ( 0.106 0.000 0.000) 0.106 30.690 ( -0.461 0.000 0.000) 0.461 30.690 ( 0.461 0.000 0.000) 0.461 31.442 ( -1.944 0.000 0.000) 1.944 31.442 ( 1.944 0.000 0.000) 1.944 31.723 ( -2.205 0.000 0.000) 2.205 31.723 ( 2.205 0.000 0.000) 2.205 31.802 ( -0.790 0.000 0.000) 0.790 31.802 ( 0.790 0.000 0.000) 0.790 31.894 ( -0.403 0.000 0.000) 0.403 31.894 ( 0.403 0.000 0.000) 0.403 32.082 ( -2.892 0.000 0.000) 2.892 32.082 ( 2.892 0.000 0.000) 2.892 32.367 ( -13.309 0.000 0.000) 13.309 32.367 ( 13.309 0.000 0.000) 13.309 32.708 ( -10.336 0.000 0.000) 10.336 32.708 ( 10.336 0.000 0.000) 10.336 33.344 ( -6.365 0.000 0.000) 6.365 33.344 ( 6.365 0.000 0.000) 6.365 33.373 ( -3.627 0.000 0.000) 3.627 33.373 ( 3.627 0.000 0.000) 3.627 33.773 ( -9.026 0.000 0.000) 9.026 33.773 ( 9.026 0.000 0.000) 9.026 34.307 ( -4.442 0.000 0.000) 4.442 34.307 ( 4.442 0.000 0.000) 4.442 34.685 ( -11.852 0.000 0.000) 11.852 34.685 ( 11.852 0.000 0.000) 11.852 35.209 ( -2.668 0.000 0.000) 2.668 35.209 ( 2.668 0.000 0.000) 2.668 35.271 ( -6.252 0.000 0.000) 6.252 35.271 ( 6.252 0.000 0.000) 6.252 36.023 ( -6.128 0.000 0.000) 6.128 36.023 ( 6.128 0.000 0.000) 6.128 36.580 ( -1.809 0.000 0.000) 1.809 36.580 ( 1.809 0.000 0.000) 1.809 37.096 ( -0.567 0.000 0.000) 0.567 37.096 ( 0.567 0.000 0.000) 0.567 38.088 ( -1.430 0.000 0.000) 1.430 38.088 ( 1.430 0.000 0.000) 1.430 ======================= Grid point 5 (4/48) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.546 ( 0.000 27.558 0.000) 27.558 0.725 ( 0.000 34.660 0.000) 34.660 1.448 ( 0.000 71.607 0.000) 71.607 1.710 ( 0.000 19.558 0.000) 19.558 1.982 ( 0.000 -7.579 0.000) 7.579 2.107 ( 0.000 0.815 0.000) 0.815 2.132 ( 0.000 1.297 0.000) 1.297 2.352 ( 0.000 4.829 0.000) 4.829 2.409 ( 0.000 1.340 0.000) 1.340 2.443 ( 0.000 -0.631 0.000) 0.631 2.597 ( 0.000 -4.258 0.000) 4.258 2.828 ( 0.000 -2.059 0.000) 2.059 2.884 ( 0.000 5.475 0.000) 5.475 2.894 ( 0.000 1.010 0.000) 1.010 2.929 ( 0.000 6.825 0.000) 6.825 3.040 ( 0.000 -0.568 0.000) 0.568 3.081 ( 0.000 -0.880 0.000) 0.880 3.109 ( 0.000 -0.471 0.000) 0.471 3.231 ( 0.000 -0.359 0.000) 0.359 3.304 ( 0.000 -7.881 0.000) 7.881 3.374 ( 0.000 1.157 0.000) 1.157 3.438 ( 0.000 15.399 0.000) 15.399 3.546 ( 0.000 6.151 0.000) 6.151 3.648 ( 0.000 12.257 0.000) 12.257 3.803 ( 0.000 0.955 0.000) 0.955 3.922 ( 0.000 3.212 0.000) 3.212 3.932 ( 0.000 14.079 0.000) 14.079 3.943 ( 0.000 1.269 0.000) 1.269 3.995 ( 0.000 3.632 0.000) 3.632 4.084 ( 0.000 -9.585 0.000) 9.585 4.186 ( 0.000 9.549 0.000) 9.549 4.243 ( 0.000 -15.845 0.000) 15.845 4.268 ( 0.000 -11.465 0.000) 11.465 4.324 ( 0.000 10.953 0.000) 10.953 4.436 ( 0.000 0.545 0.000) 0.545 4.512 ( 0.000 18.403 0.000) 18.403 4.544 ( 0.000 -6.302 0.000) 6.302 4.654 ( 0.000 2.217 0.000) 2.217 4.697 ( 0.000 -1.381 0.000) 1.381 4.721 ( 0.000 1.681 0.000) 1.681 4.727 ( 0.000 -1.032 0.000) 1.032 4.743 ( 0.000 -3.722 0.000) 3.722 4.945 ( 0.000 -8.739 0.000) 8.739 4.989 ( 0.000 -11.277 0.000) 11.277 5.049 ( 0.000 -8.100 0.000) 8.100 5.063 ( 0.000 -0.458 0.000) 0.458 5.122 ( 0.000 -1.228 0.000) 1.228 5.150 ( 0.000 -14.309 0.000) 14.309 5.239 ( 0.000 -2.671 0.000) 2.671 5.269 ( 0.000 -3.353 0.000) 3.353 5.353 ( 0.000 1.541 0.000) 1.541 5.364 ( 0.000 5.690 0.000) 5.690 5.439 ( 0.000 2.792 0.000) 2.792 5.447 ( 0.000 -4.163 0.000) 4.163 5.477 ( 0.000 -10.323 0.000) 10.323 5.589 ( 0.000 2.143 0.000) 2.143 5.720 ( 0.000 -2.628 0.000) 2.628 5.789 ( 0.000 -1.491 0.000) 1.491 5.809 ( 0.000 1.733 0.000) 1.733 5.929 ( 0.000 -7.608 0.000) 7.608 5.947 ( 0.000 9.150 0.000) 9.150 5.951 ( 0.000 -4.383 0.000) 4.383 6.118 ( 0.000 -2.857 0.000) 2.857 6.201 ( 0.000 5.325 0.000) 5.325 6.238 ( 0.000 -0.031 0.000) 0.031 6.252 ( 0.000 -12.086 0.000) 12.086 6.533 ( 0.000 3.084 0.000) 3.084 6.698 ( 0.000 6.081 0.000) 6.081 6.747 ( 0.000 -8.254 0.000) 8.254 6.842 ( 0.000 14.944 0.000) 14.944 7.207 ( 0.000 -17.726 0.000) 17.726 7.525 ( 0.000 -14.537 0.000) 14.537 8.573 ( 0.000 14.335 0.000) 14.335 8.708 ( 0.000 16.648 0.000) 16.648 8.733 ( 0.000 -5.692 0.000) 5.692 8.781 ( 0.000 -6.548 0.000) 6.548 8.855 ( 0.000 7.824 0.000) 7.824 8.929 ( 0.000 5.108 0.000) 5.108 8.962 ( 0.000 1.722 0.000) 1.722 9.071 ( 0.000 0.990 0.000) 0.990 9.206 ( 0.000 -12.284 0.000) 12.284 9.311 ( 0.000 0.329 0.000) 0.329 9.350 ( 0.000 -8.011 0.000) 8.011 9.438 ( 0.000 -4.832 0.000) 4.832 9.496 ( 0.000 -2.849 0.000) 2.849 9.594 ( 0.000 -1.265 0.000) 1.265 9.629 ( 0.000 0.797 0.000) 0.797 9.662 ( 0.000 -1.769 0.000) 1.769 9.796 ( 0.000 -0.897 0.000) 0.897 9.806 ( 0.000 0.046 0.000) 0.046 9.876 ( 0.000 3.000 0.000) 3.000 9.925 ( 0.000 6.160 0.000) 6.160 9.987 ( 0.000 -1.912 0.000) 1.912 10.071 ( 0.000 -0.030 0.000) 0.030 10.115 ( 0.000 7.846 0.000) 7.846 10.351 ( 0.000 5.507 0.000) 5.507 10.412 ( 0.000 3.339 0.000) 3.339 10.537 ( 0.000 3.349 0.000) 3.349 10.564 ( 0.000 7.623 0.000) 7.623 10.604 ( 0.000 -8.139 0.000) 8.139 10.922 ( 0.000 2.274 0.000) 2.274 10.950 ( 0.000 2.731 0.000) 2.731 11.033 ( 0.000 5.545 0.000) 5.545 11.090 ( 0.000 -1.347 0.000) 1.347 11.143 ( 0.000 2.065 0.000) 2.065 11.234 ( 0.000 2.992 0.000) 2.992 11.260 ( 0.000 -8.096 0.000) 8.096 11.528 ( 0.000 -4.786 0.000) 4.786 11.587 ( 0.000 1.162 0.000) 1.162 11.620 ( 0.000 -0.118 0.000) 0.118 12.186 ( 0.000 -2.644 0.000) 2.644 12.780 ( 0.000 -5.929 0.000) 5.929 12.882 ( 0.000 -1.554 0.000) 1.554 12.943 ( 0.000 -0.350 0.000) 0.350 13.025 ( 0.000 -10.186 0.000) 10.186 13.124 ( 0.000 -1.517 0.000) 1.517 13.136 ( 0.000 0.743 0.000) 0.743 13.186 ( 0.000 -4.815 0.000) 4.815 13.233 ( 0.000 0.224 0.000) 0.224 13.237 ( 0.000 0.122 0.000) 0.122 13.281 ( 0.000 -1.567 0.000) 1.567 13.310 ( 0.000 -1.626 0.000) 1.626 13.475 ( 0.000 3.798 0.000) 3.798 13.569 ( 0.000 0.297 0.000) 0.297 13.576 ( 0.000 -4.517 0.000) 4.517 13.704 ( 0.000 -1.992 0.000) 1.992 13.760 ( 0.000 -2.387 0.000) 2.387 13.765 ( 0.000 1.338 0.000) 1.338 13.831 ( 0.000 0.029 0.000) 0.029 13.974 ( 0.000 -0.253 0.000) 0.253 13.979 ( 0.000 -0.085 0.000) 0.085 13.980 ( 0.000 2.648 0.000) 2.648 14.035 ( 0.000 1.321 0.000) 1.321 14.103 ( 0.000 2.144 0.000) 2.144 14.193 ( 0.000 -0.021 0.000) 0.021 14.347 ( 0.000 -1.243 0.000) 1.243 14.913 ( 0.000 2.268 0.000) 2.268 15.109 ( 0.000 -3.868 0.000) 3.868 15.614 ( 0.000 2.722 0.000) 2.722 15.647 ( 0.000 -0.276 0.000) 0.276 16.105 ( 0.000 -3.296 0.000) 3.296 16.132 ( 0.000 -3.249 0.000) 3.249 16.335 ( 0.000 3.073 0.000) 3.073 16.506 ( 0.000 -1.629 0.000) 1.629 17.512 ( 0.000 -0.270 0.000) 0.270 17.540 ( 0.000 -1.473 0.000) 1.473 17.600 ( 0.000 -1.340 0.000) 1.340 17.624 ( 0.000 -2.592 0.000) 2.592 17.631 ( 0.000 1.897 0.000) 1.897 17.664 ( 0.000 0.519 0.000) 0.519 17.743 ( 0.000 2.788 0.000) 2.788 17.756 ( 0.000 1.064 0.000) 1.064 17.877 ( 0.000 -0.610 0.000) 0.610 17.961 ( 0.000 -1.004 0.000) 1.004 17.963 ( 0.000 -2.595 0.000) 2.595 17.979 ( 0.000 -1.125 0.000) 1.125 18.029 ( 0.000 0.340 0.000) 0.340 18.100 ( 0.000 4.692 0.000) 4.692 18.143 ( 0.000 3.112 0.000) 3.112 18.160 ( 0.000 -0.042 0.000) 0.042 18.249 ( 0.000 1.493 0.000) 1.493 18.338 ( 0.000 1.589 0.000) 1.589 18.407 ( 0.000 -3.261 0.000) 3.261 18.575 ( 0.000 4.754 0.000) 4.754 18.618 ( 0.000 -2.682 0.000) 2.682 18.800 ( 0.000 2.995 0.000) 2.995 18.929 ( 0.000 -2.859 0.000) 2.859 19.018 ( 0.000 -1.178 0.000) 1.178 19.360 ( 0.000 1.530 0.000) 1.530 19.395 ( 0.000 1.439 0.000) 1.439 19.501 ( 0.000 -0.440 0.000) 0.440 19.555 ( 0.000 -0.147 0.000) 0.147 19.591 ( 0.000 0.334 0.000) 0.334 19.618 ( 0.000 0.818 0.000) 0.818 19.627 ( 0.000 0.043 0.000) 0.043 19.899 ( 0.000 -0.017 0.000) 0.017 19.959 ( 0.000 -5.123 0.000) 5.123 19.977 ( 0.000 1.623 0.000) 1.623 20.008 ( 0.000 2.439 0.000) 2.439 20.062 ( 0.000 -1.079 0.000) 1.079 29.618 ( 0.000 -0.275 0.000) 0.275 29.772 ( 0.000 0.732 0.000) 0.732 29.778 ( 0.000 -3.846 0.000) 3.846 29.877 ( 0.000 -0.545 0.000) 0.545 29.935 ( 0.000 1.196 0.000) 1.196 29.942 ( 0.000 -0.999 0.000) 0.999 29.989 ( 0.000 -1.812 0.000) 1.812 30.022 ( 0.000 0.125 0.000) 0.125 30.650 ( 0.000 -0.446 0.000) 0.446 30.694 ( 0.000 -0.721 0.000) 0.721 30.713 ( 0.000 2.508 0.000) 2.508 30.784 ( 0.000 1.619 0.000) 1.619 31.404 ( 0.000 1.643 0.000) 1.643 31.513 ( 0.000 2.293 0.000) 2.293 31.551 ( 0.000 4.058 0.000) 4.058 31.632 ( 0.000 0.960 0.000) 0.960 31.738 ( 0.000 3.354 0.000) 3.354 31.874 ( 0.000 -3.757 0.000) 3.757 31.939 ( 0.000 0.652 0.000) 0.652 31.979 ( 0.000 8.611 0.000) 8.611 32.090 ( 0.000 6.697 0.000) 6.697 32.324 ( 0.000 4.049 0.000) 4.049 32.343 ( 0.000 4.625 0.000) 4.625 32.743 ( 0.000 2.993 0.000) 2.993 32.848 ( 0.000 1.073 0.000) 1.073 33.007 ( 0.000 1.446 0.000) 1.446 33.104 ( 0.000 -8.016 0.000) 8.016 33.133 ( 0.000 -5.206 0.000) 5.206 33.371 ( 0.000 -1.022 0.000) 1.022 33.417 ( 0.000 5.435 0.000) 5.435 33.618 ( 0.000 -7.318 0.000) 7.318 33.988 ( 0.000 -7.688 0.000) 7.688 34.209 ( 0.000 2.602 0.000) 2.602 34.393 ( 0.000 -2.201 0.000) 2.201 34.961 ( 0.000 7.448 0.000) 7.448 35.131 ( 0.000 0.256 0.000) 0.256 35.230 ( 0.000 -3.564 0.000) 3.564 35.264 ( 0.000 2.926 0.000) 2.926 35.428 ( 0.000 3.947 0.000) 3.947 35.736 ( 0.000 -4.199 0.000) 4.199 36.169 ( 0.000 1.706 0.000) 1.706 36.233 ( 0.000 4.088 0.000) 4.088 36.437 ( 0.000 -1.324 0.000) 1.324 36.509 ( 0.000 -1.078 0.000) 1.078 36.584 ( 0.000 -3.763 0.000) 3.763 37.033 ( 0.000 -6.645 0.000) 6.645 37.095 ( 0.000 2.687 0.000) 2.687 37.938 ( 0.000 -11.232 0.000) 11.232 ======================= Grid point 6 (5/48) ======================= q-point: ( 0.25 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.949 ( 29.747 15.129 0.000) 33.374 1.243 ( 25.792 31.443 0.000) 40.668 1.630 ( 24.446 34.053 0.000) 41.919 1.925 ( 16.860 19.082 0.000) 25.463 2.070 ( 3.943 -3.832 0.000) 5.498 2.124 ( 3.392 7.947 0.000) 8.640 2.125 ( -7.540 7.950 0.000) 10.957 2.231 ( -4.205 4.962 0.000) 6.504 2.378 ( -24.092 4.647 0.000) 24.536 2.488 ( 6.337 3.979 0.000) 7.483 2.538 ( 7.720 -2.504 0.000) 8.116 2.565 ( -7.529 1.527 0.000) 7.682 2.726 ( -3.907 1.611 0.000) 4.226 2.988 ( -2.323 -1.765 0.000) 2.918 3.028 ( 2.121 3.571 0.000) 4.153 3.083 ( -2.543 -1.915 0.000) 3.184 3.088 ( 8.448 4.809 0.000) 9.721 3.223 ( 2.832 4.255 0.000) 5.111 3.228 ( -0.707 -2.762 0.000) 2.851 3.275 ( 3.462 -0.153 0.000) 3.466 3.388 ( 0.514 1.564 0.000) 1.647 3.491 ( -9.239 11.123 0.000) 14.459 3.519 ( -2.008 5.993 0.000) 6.321 3.542 ( 1.229 0.189 0.000) 1.244 3.854 ( 4.561 4.357 0.000) 6.308 3.935 ( 0.556 -1.713 0.000) 1.801 3.960 ( 6.387 7.137 0.000) 9.578 3.998 ( -8.693 -1.410 0.000) 8.807 4.025 ( 3.530 -2.311 0.000) 4.219 4.090 ( 9.966 -1.363 0.000) 10.059 4.163 ( -2.993 -7.344 0.000) 7.931 4.177 ( -29.062 1.970 0.000) 29.129 4.190 ( -0.523 4.448 0.000) 4.479 4.304 ( 0.202 -10.714 0.000) 10.716 4.419 ( 3.668 9.215 0.000) 9.918 4.480 ( 3.537 -5.860 0.000) 6.845 4.485 ( -1.044 12.769 0.000) 12.811 4.589 ( -4.185 -3.201 0.000) 5.269 4.632 ( -3.628 2.477 0.000) 4.393 4.656 ( -4.975 -4.476 0.000) 6.692 4.741 ( 3.936 2.063 0.000) 4.444 4.821 ( 5.285 7.802 0.000) 9.423 4.995 ( -7.936 3.062 0.000) 8.506 5.029 ( 0.100 -9.261 0.000) 9.262 5.049 ( 2.760 -5.015 0.000) 5.724 5.124 ( 0.584 -0.390 0.000) 0.702 5.141 ( 13.502 -8.366 0.000) 15.884 5.164 ( 4.165 -4.910 0.000) 6.439 5.197 ( 1.315 -12.177 0.000) 12.248 5.259 ( -1.759 -0.905 0.000) 1.978 5.334 ( -1.171 1.297 0.000) 1.747 5.349 ( -2.967 -0.636 0.000) 3.034 5.433 ( -0.896 -3.016 0.000) 3.147 5.515 ( 0.838 -6.255 0.000) 6.310 5.536 ( 0.937 -1.313 0.000) 1.613 5.623 ( -4.883 0.931 0.000) 4.971 5.675 ( 8.455 1.083 0.000) 8.524 5.786 ( -0.316 -0.206 0.000) 0.378 5.788 ( -5.689 4.939 0.000) 7.534 5.803 ( -5.490 1.693 0.000) 5.745 5.926 ( -1.428 -6.659 0.000) 6.811 5.972 ( -1.035 -2.966 0.000) 3.141 6.129 ( -0.567 -5.229 0.000) 5.260 6.179 ( -2.795 0.698 0.000) 2.881 6.237 ( -0.075 -10.584 0.000) 10.585 6.265 ( 0.529 -1.772 0.000) 1.849 6.538 ( 1.319 2.052 0.000) 2.439 6.622 ( -3.961 -0.740 0.000) 4.029 6.758 ( -0.463 3.557 0.000) 3.587 6.797 ( -2.663 14.463 0.000) 14.706 7.250 ( 4.306 -18.169 0.000) 18.673 7.479 ( -4.395 -15.282 0.000) 15.901 8.575 ( 0.038 13.038 0.000) 13.038 8.639 ( -3.837 10.018 0.000) 10.727 8.724 ( 0.671 -3.506 0.000) 3.570 8.792 ( -0.923 0.545 0.000) 1.072 8.887 ( 2.259 6.431 0.000) 6.816 8.928 ( 0.475 4.899 0.000) 4.922 8.987 ( 1.574 1.158 0.000) 1.954 9.049 ( -1.618 1.076 0.000) 1.943 9.181 ( 1.094 -10.045 0.000) 10.104 9.301 ( -2.822 -7.114 0.000) 7.654 9.394 ( 5.933 -0.934 0.000) 6.006 9.550 ( 5.514 -3.851 0.000) 6.725 9.600 ( 0.371 1.500 0.000) 1.545 9.638 ( 0.116 3.854 0.000) 3.855 9.682 ( 3.041 -7.471 0.000) 8.066 9.694 ( 5.036 1.358 0.000) 5.216 9.770 ( -2.615 -1.968 0.000) 3.273 9.810 ( 0.702 -4.860 0.000) 4.910 9.858 ( 1.923 -2.585 0.000) 3.222 9.884 ( -6.724 -1.512 0.000) 6.891 10.104 ( 3.898 0.695 0.000) 3.960 10.123 ( 12.070 -4.687 0.000) 12.948 10.180 ( 2.711 5.535 0.000) 6.163 10.370 ( 0.722 4.827 0.000) 4.881 10.427 ( 1.730 2.003 0.000) 2.646 10.496 ( -2.674 3.393 0.000) 4.319 10.576 ( 0.999 8.018 0.000) 8.080 10.607 ( -0.088 -4.723 0.000) 4.724 10.911 ( -1.397 5.499 0.000) 5.673 10.938 ( -5.554 2.222 0.000) 5.982 10.991 ( 3.263 0.915 0.000) 3.389 11.107 ( 0.212 5.085 0.000) 5.089 11.128 ( -0.614 1.298 0.000) 1.435 11.173 ( -4.221 1.922 0.000) 4.638 11.331 ( 4.032 -7.967 0.000) 8.930 11.465 ( -5.550 -1.437 0.000) 5.733 11.613 ( 1.382 1.724 0.000) 2.210 11.630 ( 2.841 1.562 0.000) 3.243 12.188 ( 1.381 -2.907 0.000) 3.219 12.618 ( -18.571 3.247 0.000) 18.853 12.867 ( -3.126 0.763 0.000) 3.217 12.868 ( -0.858 -0.992 0.000) 1.312 12.983 ( 3.234 -1.807 0.000) 3.704 13.134 ( 1.441 -0.613 0.000) 1.566 13.141 ( -3.502 -4.781 0.000) 5.927 13.170 ( 1.749 -1.296 0.000) 2.177 13.193 ( -1.540 -0.099 0.000) 1.543 13.234 ( -0.806 -0.393 0.000) 0.896 13.263 ( 3.163 0.505 0.000) 3.203 13.388 ( 1.697 -4.437 0.000) 4.751 13.488 ( 1.451 2.552 0.000) 2.936 13.505 ( -4.051 3.198 0.000) 5.161 13.533 ( -2.424 0.841 0.000) 2.565 13.576 ( -0.519 -3.066 0.000) 3.110 13.756 ( -0.867 -0.657 0.000) 1.088 13.757 ( -3.153 -2.582 0.000) 4.076 13.807 ( 0.951 3.706 0.000) 3.826 13.925 ( -3.158 0.892 0.000) 3.281 14.022 ( 0.076 0.985 0.000) 0.988 14.030 ( 0.845 0.891 0.000) 1.228 14.091 ( 3.920 -3.165 0.000) 5.038 14.093 ( 1.259 3.879 0.000) 4.078 14.182 ( -0.882 -0.431 0.000) 0.982 14.254 ( -4.257 3.865 0.000) 5.750 15.004 ( 3.680 -1.979 0.000) 4.178 15.096 ( -1.259 -3.201 0.000) 3.440 15.619 ( 0.428 1.951 0.000) 1.997 15.645 ( -0.382 -0.576 0.000) 0.691 16.072 ( -0.780 -3.315 0.000) 3.405 16.112 ( -1.587 -3.450 0.000) 3.797 16.324 ( 0.429 3.876 0.000) 3.900 16.457 ( -4.224 -0.671 0.000) 4.277 17.517 ( -0.912 -3.220 0.000) 3.346 17.521 ( 0.581 -1.556 0.000) 1.661 17.576 ( -1.426 -0.939 0.000) 1.707 17.619 ( -1.506 -0.804 0.000) 1.708 17.622 ( -0.074 -0.194 0.000) 0.208 17.631 ( -1.874 0.585 0.000) 1.963 17.704 ( 2.460 2.020 0.000) 3.183 17.789 ( -0.888 1.590 0.000) 1.821 17.887 ( 1.027 -1.338 0.000) 1.687 17.950 ( -0.696 -0.779 0.000) 1.044 17.995 ( 1.871 -1.186 0.000) 2.216 18.020 ( 2.993 -1.777 0.000) 3.481 18.041 ( -0.028 1.166 0.000) 1.167 18.098 ( -0.180 2.139 0.000) 2.146 18.141 ( 1.436 2.324 0.000) 2.732 18.186 ( 1.641 1.326 0.000) 2.110 18.255 ( 0.073 2.064 0.000) 2.065 18.308 ( -2.644 1.597 0.000) 3.089 18.437 ( 2.386 -3.065 0.000) 3.884 18.583 ( -3.167 -2.863 0.000) 4.269 18.613 ( 3.082 4.822 0.000) 5.722 18.768 ( -2.915 3.174 0.000) 4.309 18.945 ( 1.354 -2.538 0.000) 2.877 19.006 ( -1.091 -1.439 0.000) 1.806 19.391 ( 2.726 1.129 0.000) 2.951 19.410 ( 1.539 1.273 0.000) 1.997 19.490 ( -1.374 -0.256 0.000) 1.397 19.528 ( -2.395 -0.064 0.000) 2.396 19.609 ( -0.658 0.903 0.000) 1.117 19.611 ( -1.077 0.657 0.000) 1.262 19.777 ( 6.792 -8.187 0.000) 10.638 19.926 ( -2.374 -3.920 0.000) 4.582 19.971 ( 4.208 -1.950 0.000) 4.638 19.994 ( 0.890 -0.144 0.000) 0.902 20.025 ( 1.852 1.290 0.000) 2.257 20.067 ( 0.314 -0.389 0.000) 0.499 29.666 ( 3.131 -2.696 0.000) 4.132 29.764 ( -1.264 -3.451 0.000) 3.675 29.778 ( 0.637 0.866 0.000) 1.075 29.863 ( -3.585 0.583 0.000) 3.632 29.897 ( 1.619 -1.060 0.000) 1.935 29.973 ( -1.453 -1.864 0.000) 2.364 29.995 ( 2.046 -0.163 0.000) 2.053 30.025 ( 0.176 0.074 0.000) 0.190 30.652 ( 0.150 -0.342 0.000) 0.374 30.676 ( -1.219 0.048 0.000) 1.220 30.717 ( 0.408 2.600 0.000) 2.632 30.751 ( -1.569 3.591 0.000) 3.918 31.422 ( 1.649 1.808 0.000) 2.448 31.499 ( -1.322 2.253 0.000) 2.612 31.615 ( 4.072 0.208 0.000) 4.078 31.686 ( 4.395 -0.787 0.000) 4.465 31.726 ( -1.210 2.620 0.000) 2.886 31.846 ( -2.471 -2.914 0.000) 3.821 31.955 ( 1.440 0.418 0.000) 1.500 31.987 ( 0.463 6.862 0.000) 6.878 32.104 ( 1.234 6.745 0.000) 6.857 32.210 ( -4.612 5.904 0.000) 7.491 32.503 ( 8.422 1.501 0.000) 8.554 32.567 ( -8.175 17.440 0.000) 19.261 32.728 ( -8.610 6.435 0.000) 10.749 32.922 ( -7.158 3.501 0.000) 7.968 33.129 ( 2.383 -7.046 0.000) 7.438 33.190 ( 1.615 -10.530 0.000) 10.653 33.353 ( 1.628 0.431 0.000) 1.684 33.544 ( -5.486 -4.498 0.000) 7.094 33.581 ( 10.519 1.094 0.000) 10.575 33.982 ( -4.926 -3.655 0.000) 6.134 34.231 ( 2.840 1.228 0.000) 3.094 34.366 ( -2.416 -1.826 0.000) 3.028 34.809 ( -19.160 27.932 0.000) 33.871 34.924 ( -4.412 6.728 0.000) 8.046 35.144 ( 0.534 -0.860 0.000) 1.012 35.222 ( -2.582 -2.710 0.000) 3.743 35.259 ( 1.537 4.572 0.000) 4.823 35.495 ( -8.197 5.211 0.000) 9.713 35.921 ( 6.116 5.071 0.000) 7.945 36.139 ( -2.885 2.008 0.000) 3.514 36.521 ( 1.082 -1.941 0.000) 2.222 36.569 ( -0.726 -3.918 0.000) 3.985 37.047 ( 1.188 -5.192 0.000) 5.326 37.073 ( 0.491 -1.041 0.000) 1.151 37.600 ( 26.669 -33.147 0.000) 42.543 37.927 ( -1.204 -12.928 0.000) 12.984 ======================= Grid point 7 (6/48) ======================= q-point: (-0.50 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( -9.778 14.797 0.000) 17.736 1.481 ( 9.778 14.797 0.000) 17.736 1.883 ( -1.943 23.211 0.000) 23.292 1.883 ( 1.943 23.211 0.000) 23.292 2.105 ( -7.061 -1.399 0.000) 7.198 2.105 ( 7.061 -1.399 0.000) 7.198 2.160 ( -7.157 4.385 0.000) 8.393 2.160 ( 7.157 4.385 0.000) 8.393 2.443 ( -1.137 2.601 0.000) 2.839 2.443 ( 1.137 2.601 0.000) 2.839 2.597 ( -27.691 15.798 0.000) 31.880 2.597 ( 27.691 15.798 0.000) 31.880 2.779 ( -13.436 3.169 0.000) 13.804 2.779 ( 13.436 3.169 0.000) 13.804 3.037 ( -0.529 -2.141 0.000) 2.205 3.037 ( 0.529 -2.141 0.000) 2.205 3.173 ( -2.460 0.490 0.000) 2.509 3.173 ( 2.460 0.490 0.000) 2.509 3.358 ( -2.666 7.230 0.000) 7.705 3.358 ( 2.666 7.230 0.000) 7.705 3.374 ( -3.019 -1.875 0.000) 3.554 3.374 ( 3.019 -1.875 0.000) 3.554 3.529 ( -24.423 7.585 0.000) 25.574 3.529 ( 24.423 7.585 0.000) 25.574 3.736 ( -10.253 -5.535 0.000) 11.651 3.736 ( 10.253 -5.535 0.000) 11.651 3.998 ( -9.333 -0.683 0.000) 9.358 3.998 ( 9.333 -0.683 0.000) 9.358 4.068 ( -0.304 3.596 0.000) 3.609 4.068 ( 0.304 3.596 0.000) 3.609 4.109 ( -6.118 -2.573 0.000) 6.637 4.109 ( 6.118 -2.573 0.000) 6.637 4.330 ( -2.999 -9.342 0.000) 9.812 4.330 ( 2.999 -9.342 0.000) 9.812 4.469 ( -7.635 2.752 0.000) 8.116 4.469 ( 7.635 2.752 0.000) 8.116 4.523 ( -0.663 -8.781 0.000) 8.806 4.523 ( 0.663 -8.781 0.000) 8.806 4.543 ( -2.968 11.526 0.000) 11.902 4.543 ( 2.968 11.526 0.000) 11.902 4.895 ( -1.948 9.234 0.000) 9.438 4.895 ( 1.948 9.234 0.000) 9.438 4.901 ( -9.097 -2.147 0.000) 9.347 4.901 ( 9.097 -2.147 0.000) 9.347 5.157 ( -5.272 -0.744 0.000) 5.324 5.157 ( 5.272 -0.744 0.000) 5.324 5.189 ( -2.471 -9.866 0.000) 10.171 5.189 ( 2.471 -9.866 0.000) 10.171 5.277 ( -4.953 1.411 0.000) 5.150 5.277 ( 4.953 1.411 0.000) 5.150 5.343 ( -1.973 -1.508 0.000) 2.483 5.343 ( 1.973 -1.508 0.000) 2.483 5.446 ( -0.547 -7.212 0.000) 7.232 5.446 ( 0.547 -7.212 0.000) 7.232 5.540 ( -5.924 5.126 0.000) 7.834 5.540 ( 5.924 5.126 0.000) 7.834 5.749 ( -3.840 -0.147 0.000) 3.843 5.749 ( 3.840 -0.147 0.000) 3.843 5.783 ( -0.233 -0.289 0.000) 0.371 5.783 ( 0.233 -0.289 0.000) 0.371 5.896 ( -0.704 -6.060 0.000) 6.101 5.896 ( 0.704 -6.060 0.000) 6.101 6.125 ( -1.360 -7.055 0.000) 7.185 6.125 ( 1.360 -7.055 0.000) 7.185 6.254 ( -1.024 -4.523 0.000) 4.637 6.254 ( 1.024 -4.523 0.000) 4.637 6.572 ( -1.544 0.227 0.000) 1.560 6.572 ( 1.544 0.227 0.000) 1.560 6.758 ( -0.933 10.135 0.000) 10.178 6.758 ( 0.933 10.135 0.000) 10.178 7.365 ( -6.134 -16.733 0.000) 17.822 7.365 ( 6.134 -16.733 0.000) 17.822 8.586 ( -1.335 10.183 0.000) 10.270 8.586 ( 1.335 10.183 0.000) 10.270 8.757 ( -2.022 0.247 0.000) 2.037 8.757 ( 2.022 0.247 0.000) 2.037 8.924 ( -1.100 5.318 0.000) 5.430 8.924 ( 1.100 5.318 0.000) 5.430 9.018 ( -1.453 0.386 0.000) 1.504 9.018 ( 1.453 0.386 0.000) 1.504 9.232 ( -3.361 -9.053 0.000) 9.657 9.232 ( 3.361 -9.053 0.000) 9.657 9.542 ( -7.299 -0.683 0.000) 7.331 9.542 ( 7.299 -0.683 0.000) 7.331 9.609 ( -0.287 2.680 0.000) 2.695 9.609 ( 0.287 2.680 0.000) 2.695 9.742 ( -3.564 0.217 0.000) 3.571 9.742 ( 3.564 0.217 0.000) 3.571 9.763 ( -1.738 2.842 0.000) 3.332 9.763 ( 1.738 2.842 0.000) 3.332 9.855 ( -2.631 -12.145 0.000) 12.427 9.855 ( 2.631 -12.145 0.000) 12.427 10.180 ( -2.711 3.450 0.000) 4.387 10.180 ( 2.711 3.450 0.000) 4.387 10.308 ( -6.033 -2.280 0.000) 6.449 10.308 ( 6.033 -2.280 0.000) 6.449 10.472 ( -1.384 1.880 0.000) 2.334 10.472 ( 1.384 1.880 0.000) 2.334 10.596 ( -0.834 5.531 0.000) 5.593 10.596 ( 0.834 5.531 0.000) 5.593 10.877 ( -0.282 5.426 0.000) 5.433 10.877 ( 0.282 5.426 0.000) 5.433 11.063 ( -3.718 2.162 0.000) 4.301 11.063 ( 3.718 2.162 0.000) 4.301 11.131 ( -0.369 2.532 0.000) 2.558 11.131 ( 0.369 2.532 0.000) 2.558 11.385 ( -2.072 -4.469 0.000) 4.926 11.385 ( 2.072 -4.469 0.000) 4.926 11.651 ( -1.139 1.938 0.000) 2.248 11.651 ( 1.139 1.938 0.000) 2.248 12.302 ( -10.504 -0.245 0.000) 10.507 12.302 ( 10.504 -0.245 0.000) 10.507 12.855 ( -0.312 -0.922 0.000) 0.973 12.855 ( 0.312 -0.922 0.000) 0.973 13.061 ( -4.102 -3.750 0.000) 5.558 13.061 ( 4.102 -3.750 0.000) 5.558 13.168 ( -1.436 -1.038 0.000) 1.772 13.168 ( 1.436 -1.038 0.000) 1.772 13.202 ( -1.781 -1.064 0.000) 2.074 13.202 ( 1.781 -1.064 0.000) 2.074 13.352 ( -4.316 -1.008 0.000) 4.432 13.352 ( 4.316 -1.008 0.000) 4.432 13.489 ( -1.509 3.906 0.000) 4.188 13.489 ( 1.509 3.906 0.000) 4.188 13.547 ( -2.528 -2.802 0.000) 3.774 13.547 ( 2.528 -2.802 0.000) 3.774 13.733 ( -0.886 -3.756 0.000) 3.859 13.733 ( 0.886 -3.756 0.000) 3.859 13.848 ( -3.253 3.385 0.000) 4.695 13.848 ( 3.253 3.385 0.000) 4.695 14.022 ( -0.253 0.225 0.000) 0.339 14.022 ( 0.253 0.225 0.000) 0.339 14.139 ( -0.221 2.172 0.000) 2.184 14.139 ( 0.221 2.172 0.000) 2.184 14.181 ( -2.495 1.113 0.000) 2.732 14.181 ( 2.495 1.113 0.000) 2.732 15.059 ( -2.197 -1.982 0.000) 2.959 15.059 ( 2.197 -1.982 0.000) 2.959 15.632 ( -0.784 0.382 0.000) 0.872 15.632 ( 0.784 0.382 0.000) 0.872 16.081 ( -1.185 -3.901 0.000) 4.077 16.081 ( 1.185 -3.901 0.000) 4.077 16.367 ( -3.723 1.668 0.000) 4.080 16.367 ( 3.723 1.668 0.000) 4.080 17.518 ( -0.644 -4.691 0.000) 4.735 17.518 ( 0.644 -4.691 0.000) 4.735 17.578 ( -1.502 0.794 0.000) 1.699 17.578 ( 1.502 0.794 0.000) 1.699 17.624 ( -0.138 -1.103 0.000) 1.111 17.624 ( 0.138 -1.103 0.000) 1.111 17.753 ( -2.231 2.046 0.000) 3.027 17.753 ( 2.231 2.046 0.000) 3.027 17.922 ( -2.003 -1.528 0.000) 2.520 17.922 ( 2.003 -1.528 0.000) 2.520 18.023 ( -1.019 2.095 0.000) 2.329 18.023 ( 1.019 2.095 0.000) 2.329 18.079 ( -2.063 -1.679 0.000) 2.660 18.079 ( 2.063 -1.679 0.000) 2.660 18.196 ( -1.810 1.764 0.000) 2.528 18.196 ( 1.810 1.764 0.000) 2.528 18.255 ( -1.051 2.367 0.000) 2.590 18.255 ( 1.051 2.367 0.000) 2.590 18.505 ( -3.960 -3.117 0.000) 5.039 18.505 ( 3.960 -3.117 0.000) 5.039 18.691 ( -4.195 4.033 0.000) 5.820 18.691 ( 4.195 4.033 0.000) 5.820 18.977 ( -1.599 -1.957 0.000) 2.528 18.977 ( 1.599 -1.957 0.000) 2.528 19.446 ( -2.513 0.092 0.000) 2.514 19.446 ( 2.513 0.092 0.000) 2.514 19.466 ( -3.423 0.893 0.000) 3.538 19.466 ( 3.423 0.893 0.000) 3.538 19.599 ( -0.096 1.026 0.000) 1.030 19.599 ( 0.096 1.026 0.000) 1.030 19.867 ( -3.298 -5.081 0.000) 6.058 19.867 ( 3.298 -5.081 0.000) 6.058 20.004 ( -0.086 -0.425 0.000) 0.433 20.004 ( 0.086 -0.425 0.000) 0.433 20.063 ( -0.974 0.077 0.000) 0.977 20.063 ( 0.974 0.077 0.000) 0.977 29.725 ( -2.507 -3.256 0.000) 4.110 29.725 ( 2.507 -3.256 0.000) 4.110 29.803 ( -2.015 1.115 0.000) 2.303 29.803 ( 2.015 1.115 0.000) 2.303 29.936 ( -2.026 -1.731 0.000) 2.665 29.936 ( 2.026 -1.731 0.000) 2.665 30.022 ( -0.607 -0.069 0.000) 0.611 30.022 ( 0.607 -0.069 0.000) 0.611 30.658 ( -0.533 -0.000 0.000) 0.533 30.658 ( 0.533 -0.000 0.000) 0.533 30.729 ( -0.779 2.958 0.000) 3.059 30.729 ( 0.779 2.958 0.000) 3.059 31.462 ( -2.051 2.089 0.000) 2.927 31.462 ( 2.051 2.089 0.000) 2.927 31.686 ( -2.740 1.013 0.000) 2.922 31.686 ( 2.740 1.013 0.000) 2.922 31.778 ( -4.094 -2.184 0.000) 4.640 31.778 ( 4.094 -2.184 0.000) 4.640 31.984 ( -0.929 2.680 0.000) 2.836 31.984 ( 0.929 2.680 0.000) 2.836 32.140 ( -2.387 6.852 0.000) 7.256 32.140 ( 2.387 6.852 0.000) 7.256 32.527 ( -3.530 11.198 0.000) 11.742 32.527 ( 3.530 11.198 0.000) 11.742 32.743 ( -9.105 5.415 0.000) 10.594 32.743 ( 9.105 5.415 0.000) 10.594 33.181 ( -2.002 -8.683 0.000) 8.911 33.181 ( 2.002 -8.683 0.000) 8.911 33.428 ( -5.174 -1.388 0.000) 5.357 33.428 ( 5.174 -1.388 0.000) 5.357 33.799 ( -10.482 0.845 0.000) 10.516 33.799 ( 10.482 0.845 0.000) 10.516 34.303 ( -3.524 -0.618 0.000) 3.578 34.303 ( 3.524 -0.618 0.000) 3.578 34.779 ( -7.572 9.505 0.000) 12.152 34.779 ( 7.572 9.505 0.000) 12.152 35.168 ( -2.230 -1.888 0.000) 2.922 35.168 ( 2.230 -1.888 0.000) 2.922 35.349 ( -6.189 5.297 0.000) 8.146 35.349 ( 6.189 5.297 0.000) 8.146 36.050 ( -5.631 2.901 0.000) 6.335 36.050 ( 5.631 2.901 0.000) 6.335 36.548 ( -1.287 -3.228 0.000) 3.475 36.548 ( 1.287 -3.228 0.000) 3.475 37.069 ( -0.699 -2.479 0.000) 2.576 37.069 ( 0.699 -2.479 0.000) 2.576 37.870 ( -5.373 -19.252 0.000) 19.987 37.870 ( 5.373 -19.252 0.000) 19.987 ======================= Grid point 10 (7/48) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.091 ( 0.000 28.821 0.000) 28.821 1.295 ( 0.000 22.497 0.000) 22.497 1.828 ( 0.000 -6.963 0.000) 6.963 2.044 ( 0.000 7.943 0.000) 7.943 2.133 ( 0.000 1.578 0.000) 1.578 2.147 ( 0.000 -0.382 0.000) 0.382 2.411 ( 0.000 -0.659 0.000) 0.659 2.435 ( 0.000 -12.882 0.000) 12.882 2.571 ( 0.000 15.892 0.000) 15.892 2.580 ( 0.000 15.875 0.000) 15.875 2.670 ( 0.000 45.349 0.000) 45.349 2.816 ( 0.000 -4.721 0.000) 4.721 2.851 ( 0.000 4.858 0.000) 4.858 2.979 ( 0.000 2.541 0.000) 2.541 3.033 ( 0.000 10.359 0.000) 10.359 3.090 ( 0.000 -1.374 0.000) 1.374 3.113 ( 0.000 10.628 0.000) 10.628 3.182 ( 0.000 -5.179 0.000) 5.179 3.232 ( 0.000 1.386 0.000) 1.386 3.259 ( 0.000 9.680 0.000) 9.680 3.450 ( 0.000 10.147 0.000) 10.147 3.670 ( 0.000 -3.185 0.000) 3.185 3.681 ( 0.000 2.223 0.000) 2.223 3.791 ( 0.000 -19.749 0.000) 19.749 3.798 ( 0.000 0.095 0.000) 0.095 3.856 ( 0.000 2.923 0.000) 2.923 3.945 ( 0.000 -2.210 0.000) 2.210 4.041 ( 0.000 6.164 0.000) 6.164 4.072 ( 0.000 9.779 0.000) 9.779 4.074 ( 0.000 13.154 0.000) 13.154 4.090 ( 0.000 4.882 0.000) 4.882 4.117 ( 0.000 -3.316 0.000) 3.316 4.259 ( 0.000 -5.998 0.000) 5.998 4.413 ( 0.000 -3.434 0.000) 3.434 4.449 ( 0.000 -6.809 0.000) 6.809 4.538 ( 0.000 -10.077 0.000) 10.077 4.551 ( 0.000 8.605 0.000) 8.605 4.554 ( 0.000 -5.132 0.000) 5.132 4.629 ( 0.000 -2.881 0.000) 2.881 4.711 ( 0.000 -3.554 0.000) 3.554 4.749 ( 0.000 5.240 0.000) 5.240 4.791 ( 0.000 -8.223 0.000) 8.223 4.863 ( 0.000 -7.789 0.000) 7.789 4.927 ( 0.000 -7.260 0.000) 7.260 4.950 ( 0.000 16.750 0.000) 16.750 4.971 ( 0.000 6.880 0.000) 6.880 5.077 ( 0.000 -2.854 0.000) 2.854 5.125 ( 0.000 8.009 0.000) 8.009 5.177 ( 0.000 -10.777 0.000) 10.777 5.197 ( 0.000 -6.737 0.000) 6.737 5.225 ( 0.000 -3.174 0.000) 3.174 5.268 ( 0.000 -13.323 0.000) 13.323 5.357 ( 0.000 -5.029 0.000) 5.029 5.501 ( 0.000 4.022 0.000) 4.022 5.535 ( 0.000 6.831 0.000) 6.831 5.652 ( 0.000 -3.752 0.000) 3.752 5.687 ( 0.000 -11.101 0.000) 11.101 5.711 ( 0.000 6.257 0.000) 6.257 5.718 ( 0.000 -0.864 0.000) 0.864 5.802 ( 0.000 -10.621 0.000) 10.621 5.841 ( 0.000 -3.576 0.000) 3.576 6.035 ( 0.000 -1.851 0.000) 1.851 6.064 ( 0.000 1.663 0.000) 1.663 6.079 ( 0.000 -0.506 0.000) 0.506 6.220 ( 0.000 -1.835 0.000) 1.835 6.288 ( 0.000 3.165 0.000) 3.165 6.475 ( 0.000 -16.805 0.000) 16.805 6.546 ( 0.000 -3.765 0.000) 3.765 6.900 ( 0.000 13.113 0.000) 13.113 6.993 ( 0.000 -3.162 0.000) 3.162 7.100 ( 0.000 9.029 0.000) 9.029 7.239 ( 0.000 -13.416 0.000) 13.416 8.586 ( 0.000 -7.943 0.000) 7.943 8.634 ( 0.000 -7.895 0.000) 7.895 8.863 ( 0.000 12.438 0.000) 12.438 8.960 ( 0.000 7.356 0.000) 7.356 8.981 ( 0.000 -5.049 0.000) 5.049 8.982 ( 0.000 -0.090 0.000) 0.090 9.061 ( 0.000 7.760 0.000) 7.760 9.066 ( 0.000 14.673 0.000) 14.673 9.137 ( 0.000 1.220 0.000) 1.220 9.212 ( 0.000 -5.436 0.000) 5.436 9.324 ( 0.000 1.174 0.000) 1.174 9.325 ( 0.000 -6.300 0.000) 6.300 9.443 ( 0.000 -2.212 0.000) 2.212 9.583 ( 0.000 -0.482 0.000) 0.482 9.594 ( 0.000 -2.066 0.000) 2.066 9.604 ( 0.000 -2.841 0.000) 2.841 9.778 ( 0.000 -1.163 0.000) 1.163 9.857 ( 0.000 3.014 0.000) 3.014 9.890 ( 0.000 -8.602 0.000) 8.602 9.913 ( 0.000 0.412 0.000) 0.412 10.066 ( 0.000 8.439 0.000) 8.439 10.100 ( 0.000 3.595 0.000) 3.595 10.231 ( 0.000 2.498 0.000) 2.498 10.391 ( 0.000 -2.617 0.000) 2.617 10.500 ( 0.000 5.008 0.000) 5.008 10.558 ( 0.000 2.679 0.000) 2.679 10.639 ( 0.000 6.736 0.000) 6.736 10.732 ( 0.000 7.105 0.000) 7.105 10.895 ( 0.000 -10.395 0.000) 10.395 10.943 ( 0.000 -1.355 0.000) 1.355 10.997 ( 0.000 2.554 0.000) 2.554 11.064 ( 0.000 -0.741 0.000) 0.741 11.184 ( 0.000 1.659 0.000) 1.659 11.265 ( 0.000 -0.643 0.000) 0.643 11.298 ( 0.000 5.426 0.000) 5.426 11.421 ( 0.000 -4.990 0.000) 4.990 11.594 ( 0.000 0.028 0.000) 0.028 11.615 ( 0.000 -0.461 0.000) 0.461 12.155 ( 0.000 0.817 0.000) 0.817 12.549 ( 0.000 -16.405 0.000) 16.405 12.854 ( 0.000 -0.899 0.000) 0.899 12.887 ( 0.000 -3.391 0.000) 3.391 12.938 ( 0.000 0.281 0.000) 0.281 13.072 ( 0.000 -6.166 0.000) 6.166 13.111 ( 0.000 0.306 0.000) 0.306 13.163 ( 0.000 2.039 0.000) 2.039 13.204 ( 0.000 -3.840 0.000) 3.840 13.219 ( 0.000 -1.351 0.000) 1.351 13.235 ( 0.000 -1.620 0.000) 1.620 13.267 ( 0.000 -2.674 0.000) 2.674 13.519 ( 0.000 -1.284 0.000) 1.284 13.519 ( 0.000 0.453 0.000) 0.453 13.584 ( 0.000 1.292 0.000) 1.292 13.660 ( 0.000 -2.348 0.000) 2.348 13.778 ( 0.000 3.710 0.000) 3.710 13.790 ( 0.000 1.419 0.000) 1.419 13.845 ( 0.000 1.818 0.000) 1.818 13.968 ( 0.000 -0.199 0.000) 0.199 13.975 ( 0.000 -0.358 0.000) 0.358 14.031 ( 0.000 1.046 0.000) 1.046 14.063 ( 0.000 1.268 0.000) 1.268 14.076 ( 0.000 -3.387 0.000) 3.387 14.232 ( 0.000 2.871 0.000) 2.871 14.315 ( 0.000 -1.884 0.000) 1.884 14.960 ( 0.000 2.311 0.000) 2.311 15.041 ( 0.000 -2.726 0.000) 2.726 15.644 ( 0.000 0.147 0.000) 0.147 15.651 ( 0.000 0.795 0.000) 0.795 16.052 ( 0.000 -1.874 0.000) 1.874 16.068 ( 0.000 -2.773 0.000) 2.773 16.385 ( 0.000 2.094 0.000) 2.094 16.466 ( 0.000 -2.305 0.000) 2.305 17.507 ( 0.000 0.056 0.000) 0.056 17.529 ( 0.000 0.327 0.000) 0.327 17.568 ( 0.000 -2.858 0.000) 2.858 17.572 ( 0.000 -1.403 0.000) 1.403 17.681 ( 0.000 1.346 0.000) 1.346 17.684 ( 0.000 3.206 0.000) 3.206 17.762 ( 0.000 -1.046 0.000) 1.046 17.766 ( 0.000 -0.276 0.000) 0.276 17.875 ( 0.000 0.726 0.000) 0.726 17.925 ( 0.000 -0.905 0.000) 0.905 17.941 ( 0.000 -0.939 0.000) 0.939 17.948 ( 0.000 -2.001 0.000) 2.001 18.049 ( 0.000 1.804 0.000) 1.804 18.144 ( 0.000 -1.710 0.000) 1.710 18.193 ( 0.000 3.959 0.000) 3.959 18.204 ( 0.000 2.680 0.000) 2.680 18.282 ( 0.000 1.705 0.000) 1.705 18.352 ( 0.000 -2.355 0.000) 2.355 18.387 ( 0.000 3.603 0.000) 3.603 18.555 ( 0.000 -3.769 0.000) 3.769 18.672 ( 0.000 5.108 0.000) 5.108 18.858 ( 0.000 -4.244 0.000) 4.244 18.865 ( 0.000 3.484 0.000) 3.484 18.984 ( 0.000 -2.299 0.000) 2.299 19.399 ( 0.000 2.325 0.000) 2.325 19.435 ( 0.000 2.503 0.000) 2.503 19.484 ( 0.000 -1.479 0.000) 1.479 19.536 ( 0.000 -1.915 0.000) 1.915 19.600 ( 0.000 0.687 0.000) 0.687 19.628 ( 0.000 0.011 0.000) 0.011 19.649 ( 0.000 2.464 0.000) 2.464 19.838 ( 0.000 -6.549 0.000) 6.549 19.921 ( 0.000 2.167 0.000) 2.167 20.008 ( 0.000 0.429 0.000) 0.429 20.038 ( 0.000 -0.482 0.000) 0.482 20.048 ( 0.000 1.341 0.000) 1.341 29.618 ( 0.000 0.398 0.000) 0.398 29.698 ( 0.000 -3.795 0.000) 3.795 29.793 ( 0.000 1.452 0.000) 1.452 29.858 ( 0.000 -1.407 0.000) 1.407 29.921 ( 0.000 -0.781 0.000) 0.781 29.949 ( 0.000 -2.017 0.000) 2.017 29.966 ( 0.000 1.872 0.000) 1.872 30.019 ( 0.000 -0.495 0.000) 0.495 30.649 ( 0.000 0.284 0.000) 0.284 30.677 ( 0.000 -0.938 0.000) 0.938 30.764 ( 0.000 2.577 0.000) 2.577 30.810 ( 0.000 0.695 0.000) 0.695 31.449 ( 0.000 2.915 0.000) 2.915 31.572 ( 0.000 -2.082 0.000) 2.082 31.577 ( 0.000 4.192 0.000) 4.192 31.721 ( 0.000 7.761 0.000) 7.761 31.780 ( 0.000 -5.475 0.000) 5.475 31.858 ( 0.000 7.200 0.000) 7.200 31.966 ( 0.000 1.733 0.000) 1.733 32.014 ( 0.000 -3.851 0.000) 3.851 32.263 ( 0.000 10.124 0.000) 10.124 32.442 ( 0.000 4.121 0.000) 4.121 32.497 ( 0.000 10.712 0.000) 10.712 32.781 ( 0.000 -1.156 0.000) 1.156 32.911 ( 0.000 5.777 0.000) 5.777 32.973 ( 0.000 -4.597 0.000) 4.597 33.020 ( 0.000 -1.023 0.000) 1.023 33.026 ( 0.000 -3.796 0.000) 3.796 33.361 ( 0.000 1.226 0.000) 1.226 33.471 ( 0.000 0.116 0.000) 0.116 33.478 ( 0.000 -5.271 0.000) 5.271 33.772 ( 0.000 -13.971 0.000) 13.971 34.257 ( 0.000 2.157 0.000) 2.157 34.342 ( 0.000 -2.699 0.000) 2.699 35.140 ( 0.000 0.696 0.000) 0.696 35.160 ( 0.000 12.257 0.000) 12.257 35.180 ( 0.000 -1.682 0.000) 1.682 35.338 ( 0.000 4.382 0.000) 4.382 35.466 ( 0.000 -0.348 0.000) 0.348 35.611 ( 0.000 -8.602 0.000) 8.602 36.220 ( 0.000 3.662 0.000) 3.662 36.369 ( 0.000 9.899 0.000) 9.899 36.397 ( 0.000 -3.169 0.000) 3.169 36.484 ( 0.000 -1.326 0.000) 1.326 36.501 ( 0.000 -3.726 0.000) 3.726 36.851 ( 0.000 -11.600 0.000) 11.600 37.186 ( 0.000 7.036 0.000) 7.036 37.662 ( 0.000 -15.634 0.000) 15.634 ======================= Grid point 11 (8/48) ======================= q-point: ( 0.25 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 21.964 23.934 0.000) 32.485 1.672 ( 28.206 13.820 0.000) 31.410 1.972 ( 8.907 -4.363 0.000) 9.918 2.087 ( 0.434 1.523 0.000) 1.584 2.160 ( 5.317 14.354 0.000) 15.307 2.217 ( 5.818 0.869 0.000) 5.882 2.369 ( -7.996 -3.811 0.000) 8.858 2.444 ( 0.632 2.672 0.000) 2.746 2.553 ( 2.145 16.007 0.000) 16.150 2.600 ( -9.548 15.134 0.000) 17.894 2.642 ( 5.030 12.203 0.000) 13.198 2.733 ( -1.613 22.120 0.000) 22.179 2.777 ( -5.041 4.497 0.000) 6.755 2.907 ( 1.176 -0.072 0.000) 1.179 3.027 ( -4.553 -3.174 0.000) 5.551 3.116 ( 2.288 3.099 0.000) 3.852 3.176 ( -0.720 -0.947 0.000) 1.189 3.182 ( -0.704 4.203 0.000) 4.262 3.299 ( 4.607 6.116 0.000) 7.657 3.363 ( 9.566 -1.269 0.000) 9.650 3.440 ( -0.703 6.674 0.000) 6.711 3.593 ( -6.588 3.061 0.000) 7.264 3.614 ( -0.076 -2.008 0.000) 2.010 3.762 ( 0.929 -1.652 0.000) 1.895 3.793 ( -4.405 8.117 0.000) 9.235 3.849 ( 0.051 -13.196 0.000) 13.196 3.863 ( -7.829 -8.617 0.000) 11.643 4.008 ( 1.571 6.161 0.000) 6.358 4.034 ( -1.438 -1.423 0.000) 2.023 4.073 ( -9.930 -4.290 0.000) 10.817 4.167 ( 9.446 11.111 0.000) 14.584 4.217 ( 2.488 4.452 0.000) 5.099 4.263 ( 1.005 12.696 0.000) 12.735 4.314 ( -9.178 5.432 0.000) 10.665 4.381 ( -0.743 -4.399 0.000) 4.461 4.464 ( -8.410 1.186 0.000) 8.493 4.553 ( 0.297 -5.715 0.000) 5.723 4.621 ( -1.043 2.418 0.000) 2.633 4.673 ( 0.029 -2.497 0.000) 2.498 4.673 ( 3.371 -9.055 0.000) 9.662 4.758 ( 4.117 2.466 0.000) 4.799 4.806 ( 2.127 1.953 0.000) 2.888 4.912 ( 3.418 -1.148 0.000) 3.605 4.967 ( 2.232 -6.562 0.000) 6.931 4.988 ( 1.438 -6.392 0.000) 6.551 5.009 ( 1.263 -3.787 0.000) 3.992 5.037 ( 0.038 1.445 0.000) 1.446 5.132 ( -4.005 4.757 0.000) 6.219 5.165 ( 4.874 2.462 0.000) 5.460 5.189 ( 1.975 -3.919 0.000) 4.388 5.240 ( 2.118 -3.987 0.000) 4.515 5.312 ( 1.854 -8.696 0.000) 8.892 5.389 ( 1.754 -6.795 0.000) 7.018 5.476 ( -3.243 3.227 0.000) 4.575 5.557 ( 3.085 7.640 0.000) 8.239 5.640 ( 1.058 -1.238 0.000) 1.629 5.660 ( 0.450 -10.059 0.000) 10.069 5.682 ( -1.210 -11.295 0.000) 11.359 5.721 ( 1.005 -3.852 0.000) 3.981 5.810 ( -2.078 -2.101 0.000) 2.955 5.919 ( 3.015 -2.013 0.000) 3.625 5.952 ( -8.072 5.105 0.000) 9.551 5.979 ( -5.384 -3.271 0.000) 6.300 6.017 ( -6.002 -5.704 0.000) 8.280 6.221 ( -0.995 -1.875 0.000) 2.122 6.234 ( -4.499 2.798 0.000) 5.298 6.500 ( 1.920 -11.663 0.000) 11.820 6.543 ( -0.214 -3.680 0.000) 3.686 6.923 ( 1.683 11.388 0.000) 11.512 7.003 ( 2.358 -4.479 0.000) 5.062 7.051 ( -3.899 9.603 0.000) 10.365 7.191 ( -4.163 -12.220 0.000) 12.910 8.578 ( -0.298 -6.676 0.000) 6.683 8.610 ( -1.709 -6.509 0.000) 6.729 8.882 ( 1.690 11.718 0.000) 11.839 8.940 ( -0.782 6.747 0.000) 6.792 8.944 ( -1.422 -1.570 0.000) 2.119 8.982 ( -1.285 -1.228 0.000) 1.777 9.040 ( -1.399 4.690 0.000) 4.894 9.058 ( -2.655 0.255 0.000) 2.667 9.136 ( 2.405 7.743 0.000) 8.108 9.209 ( -0.673 -0.503 0.000) 0.841 9.395 ( 5.946 0.788 0.000) 5.998 9.445 ( 7.811 -6.317 0.000) 10.045 9.507 ( 4.067 -6.090 0.000) 7.323 9.573 ( -0.122 -6.693 0.000) 6.695 9.648 ( 3.948 1.271 0.000) 4.148 9.655 ( 3.274 -1.236 0.000) 3.500 9.745 ( -2.946 0.010 0.000) 2.946 9.806 ( -5.409 -4.532 0.000) 7.057 9.850 ( -1.217 1.815 0.000) 2.185 9.889 ( -1.765 1.026 0.000) 2.042 10.137 ( 5.372 3.542 0.000) 6.434 10.163 ( 6.439 6.161 0.000) 8.912 10.269 ( 2.135 1.919 0.000) 2.871 10.389 ( -2.308 -0.904 0.000) 2.479 10.499 ( 0.107 4.572 0.000) 4.573 10.570 ( -3.742 2.647 0.000) 4.583 10.652 ( 7.634 6.877 0.000) 10.275 10.753 ( 2.029 7.759 0.000) 8.020 10.903 ( -0.014 -3.581 0.000) 3.581 10.947 ( 0.138 -0.308 0.000) 0.338 11.022 ( 2.010 0.652 0.000) 2.113 11.083 ( 1.091 -4.408 0.000) 4.541 11.144 ( -3.254 0.064 0.000) 3.255 11.199 ( -5.215 -0.633 0.000) 5.253 11.314 ( 1.432 3.947 0.000) 4.199 11.399 ( -2.066 -3.294 0.000) 3.888 11.630 ( 1.705 0.145 0.000) 1.711 11.634 ( 3.030 -0.609 0.000) 3.091 12.139 ( -0.412 -0.903 0.000) 0.993 12.448 ( -9.962 -14.645 0.000) 17.712 12.850 ( -0.309 -0.469 0.000) 0.562 12.864 ( -1.536 -0.732 0.000) 1.702 12.946 ( 0.958 -1.109 0.000) 1.465 13.040 ( -2.695 -4.997 0.000) 5.678 13.118 ( 0.488 -1.115 0.000) 1.217 13.155 ( -2.800 -3.476 0.000) 4.463 13.167 ( 0.235 0.451 0.000) 0.508 13.216 ( -1.381 -2.137 0.000) 2.545 13.262 ( 4.094 0.609 0.000) 4.139 13.319 ( 3.599 -1.055 0.000) 3.751 13.519 ( 0.183 -0.811 0.000) 0.831 13.521 ( 0.344 0.410 0.000) 0.535 13.590 ( 0.355 2.361 0.000) 2.388 13.608 ( -2.303 4.020 0.000) 4.633 13.737 ( -5.147 0.715 0.000) 5.196 13.742 ( -3.906 0.029 0.000) 3.907 13.858 ( 1.801 2.360 0.000) 2.969 13.953 ( -1.196 1.244 0.000) 1.725 14.020 ( 0.194 -2.410 0.000) 2.418 14.030 ( -2.920 -2.101 0.000) 3.598 14.065 ( 3.479 1.707 0.000) 3.875 14.104 ( 4.714 -0.951 0.000) 4.809 14.215 ( -1.418 2.752 0.000) 3.096 14.282 ( -2.638 -0.516 0.000) 2.688 14.993 ( 2.254 0.523 0.000) 2.313 15.041 ( -0.172 -2.166 0.000) 2.173 15.628 ( -1.123 -0.611 0.000) 1.278 15.637 ( -1.123 -0.076 0.000) 1.126 16.031 ( -1.102 -1.233 0.000) 1.653 16.049 ( -1.362 -2.468 0.000) 2.819 16.376 ( -0.420 1.821 0.000) 1.869 16.435 ( -2.565 -1.461 0.000) 2.952 17.481 ( -3.241 -0.835 0.000) 3.347 17.482 ( -2.273 -1.532 0.000) 2.742 17.570 ( 0.236 -0.317 0.000) 0.396 17.579 ( 0.541 -1.814 0.000) 1.893 17.623 ( -1.462 0.659 0.000) 1.604 17.654 ( -3.688 0.391 0.000) 3.709 17.759 ( 2.900 3.376 0.000) 4.451 17.824 ( 0.208 1.590 0.000) 1.604 17.879 ( 0.356 0.285 0.000) 0.456 17.925 ( -1.145 -1.592 0.000) 1.961 17.950 ( 2.516 -2.354 0.000) 3.446 17.977 ( 2.020 -2.357 0.000) 3.104 18.085 ( 2.437 2.907 0.000) 3.793 18.155 ( -0.525 2.188 0.000) 2.250 18.189 ( -0.008 2.251 0.000) 2.251 18.200 ( 1.529 0.372 0.000) 1.574 18.296 ( 0.605 1.918 0.000) 2.011 18.357 ( -2.563 3.443 0.000) 4.292 18.379 ( 2.170 -2.805 0.000) 3.546 18.518 ( -3.286 -3.781 0.000) 5.009 18.707 ( 2.815 4.789 0.000) 5.555 18.836 ( -2.494 3.506 0.000) 4.302 18.881 ( 1.837 -3.799 0.000) 4.220 18.965 ( -1.626 -2.662 0.000) 3.119 19.419 ( 1.455 1.628 0.000) 2.183 19.446 ( 1.486 2.335 0.000) 2.768 19.478 ( -1.039 -1.024 0.000) 1.459 19.523 ( -0.979 -0.687 0.000) 1.196 19.624 ( -0.258 0.457 0.000) 0.525 19.636 ( -0.414 1.826 0.000) 1.872 19.667 ( 4.251 -2.815 0.000) 5.099 19.815 ( -2.168 -6.199 0.000) 6.567 19.971 ( 3.650 1.220 0.000) 3.849 20.017 ( 0.611 1.233 0.000) 1.376 20.050 ( 0.889 -0.946 0.000) 1.298 20.051 ( 0.295 0.979 0.000) 1.023 29.636 ( 1.532 -0.526 0.000) 1.620 29.693 ( -0.624 -3.334 0.000) 3.392 29.800 ( 0.726 1.412 0.000) 1.588 29.859 ( -0.538 -1.240 0.000) 1.351 29.887 ( -1.260 0.348 0.000) 1.307 29.932 ( -1.433 -2.061 0.000) 2.510 29.996 ( 1.627 0.420 0.000) 1.680 30.022 ( 0.149 -0.377 0.000) 0.405 30.651 ( 0.218 0.238 0.000) 0.323 30.670 ( -0.548 -0.535 0.000) 0.765 30.768 ( 0.371 2.397 0.000) 2.426 30.799 ( -0.924 1.281 0.000) 1.579 31.472 ( 2.070 3.272 0.000) 3.872 31.562 ( -1.431 4.125 0.000) 4.366 31.616 ( 3.770 -2.702 0.000) 4.638 31.742 ( 1.908 7.226 0.000) 7.473 31.759 ( -2.017 -5.009 0.000) 5.400 31.839 ( -1.770 6.930 0.000) 7.152 31.970 ( 0.565 0.727 0.000) 0.921 32.012 ( -0.414 -3.306 0.000) 3.332 32.275 ( 1.128 9.961 0.000) 10.025 32.379 ( -3.883 8.766 0.000) 9.587 32.545 ( 2.947 2.496 0.000) 3.862 32.714 ( -5.010 -0.415 0.000) 5.027 32.900 ( 0.363 9.100 0.000) 9.107 32.999 ( -2.254 1.808 0.000) 2.889 33.014 ( 2.569 -3.686 0.000) 4.493 33.050 ( 1.281 -3.036 0.000) 3.295 33.349 ( -0.062 1.372 0.000) 1.373 33.431 ( -3.345 -4.046 0.000) 5.250 33.569 ( 7.913 -2.751 0.000) 8.378 33.806 ( 0.997 -12.907 0.000) 12.945 34.259 ( 0.573 1.454 0.000) 1.563 34.324 ( -1.569 -2.230 0.000) 2.727 35.097 ( -5.716 9.753 0.000) 11.305 35.137 ( -8.042 3.664 0.000) 8.837 35.139 ( -0.249 0.210 0.000) 0.326 35.223 ( -11.584 4.566 0.000) 12.452 35.360 ( 2.732 5.528 0.000) 6.166 35.539 ( -4.758 -1.161 0.000) 4.898 36.089 ( -1.079 11.079 0.000) 11.131 36.198 ( -2.124 3.978 0.000) 4.509 36.465 ( -0.991 -3.918 0.000) 4.042 36.468 ( -0.368 -5.994 0.000) 6.005 36.920 ( 5.278 -6.923 0.000) 8.706 36.965 ( 14.461 -10.768 0.000) 18.030 37.241 ( 8.901 -1.676 0.000) 9.057 37.624 ( -3.854 -16.291 0.000) 16.741 ======================= Grid point 12 (9/48) ======================= q-point: (-0.50 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.848 ( -22.576 17.222 0.000) 28.394 1.848 ( 22.576 17.222 0.000) 28.394 2.048 ( -2.256 -3.186 0.000) 3.903 2.048 ( 2.256 -3.186 0.000) 3.903 2.280 ( -2.584 7.107 0.000) 7.562 2.280 ( 2.584 7.107 0.000) 7.562 2.347 ( -7.782 19.622 0.000) 21.109 2.347 ( 7.782 19.622 0.000) 21.109 2.518 ( -4.743 5.874 0.000) 7.549 2.518 ( 4.743 5.874 0.000) 7.549 2.760 ( -1.542 5.503 0.000) 5.715 2.760 ( 1.542 5.503 0.000) 5.715 2.886 ( -17.197 0.342 0.000) 17.200 2.886 ( 17.197 0.342 0.000) 17.200 2.948 ( -1.309 0.188 0.000) 1.322 2.948 ( 1.309 0.188 0.000) 1.322 3.163 ( -1.142 0.620 0.000) 1.299 3.163 ( 1.142 0.620 0.000) 1.299 3.441 ( -2.210 5.330 0.000) 5.770 3.441 ( 2.210 5.330 0.000) 5.770 3.547 ( -15.175 5.394 0.000) 16.105 3.547 ( 15.175 5.394 0.000) 16.105 3.626 ( -7.766 -4.194 0.000) 8.826 3.626 ( 7.766 -4.194 0.000) 8.826 3.772 ( -8.322 -9.676 0.000) 12.762 3.772 ( 8.322 -9.676 0.000) 12.762 3.923 ( -13.163 14.100 0.000) 19.289 3.923 ( 13.163 14.100 0.000) 19.289 3.995 ( -2.704 -8.734 0.000) 9.144 3.995 ( 2.704 -8.734 0.000) 9.144 4.115 ( -6.075 7.065 0.000) 9.317 4.115 ( 6.075 7.065 0.000) 9.317 4.332 ( -3.275 11.021 0.000) 11.497 4.332 ( 3.275 11.021 0.000) 11.497 4.409 ( -0.188 -1.162 0.000) 1.177 4.409 ( 0.188 -1.162 0.000) 1.177 4.552 ( -2.151 1.656 0.000) 2.714 4.552 ( 2.151 1.656 0.000) 2.714 4.688 ( -1.658 -0.703 0.000) 1.801 4.688 ( 1.658 -0.703 0.000) 1.801 4.849 ( -1.886 -3.962 0.000) 4.388 4.849 ( 1.886 -3.962 0.000) 4.388 4.959 ( -2.061 0.749 0.000) 2.193 4.959 ( 2.061 0.749 0.000) 2.193 5.005 ( -0.242 -7.751 0.000) 7.755 5.005 ( 0.242 -7.751 0.000) 7.755 5.066 ( -0.911 -3.501 0.000) 3.617 5.066 ( 0.911 -3.501 0.000) 3.617 5.257 ( -3.340 -3.399 0.000) 4.765 5.257 ( 3.340 -3.399 0.000) 4.765 5.309 ( -3.524 1.538 0.000) 3.845 5.309 ( 3.524 1.538 0.000) 3.845 5.400 ( -1.914 -3.142 0.000) 3.679 5.400 ( 1.914 -3.142 0.000) 3.679 5.634 ( -2.661 -3.702 0.000) 4.559 5.634 ( 2.661 -3.702 0.000) 4.559 5.697 ( -1.848 -6.544 0.000) 6.800 5.697 ( 1.848 -6.544 0.000) 6.800 5.781 ( -6.895 2.478 0.000) 7.327 5.781 ( 6.895 2.478 0.000) 7.327 5.823 ( -3.709 0.616 0.000) 3.760 5.823 ( 3.709 0.616 0.000) 3.760 5.935 ( -0.599 -6.863 0.000) 6.889 5.935 ( 0.599 -6.863 0.000) 6.889 6.184 ( -0.981 -0.531 0.000) 1.115 6.184 ( 0.981 -0.531 0.000) 1.115 6.534 ( -1.010 -6.484 0.000) 6.562 6.534 ( 1.010 -6.484 0.000) 6.562 6.973 ( -3.322 10.214 0.000) 10.740 6.973 ( 3.322 10.214 0.000) 10.740 7.090 ( -5.191 -8.471 0.000) 9.935 7.090 ( 5.191 -8.471 0.000) 9.935 8.583 ( -0.767 -5.684 0.000) 5.735 8.583 ( 0.767 -5.684 0.000) 5.735 8.921 ( -1.615 9.887 0.000) 10.018 8.921 ( 1.615 9.887 0.000) 10.018 8.945 ( -1.344 -2.439 0.000) 2.785 8.945 ( 1.344 -2.439 0.000) 2.785 9.023 ( -0.271 0.189 0.000) 0.330 9.023 ( 0.271 0.189 0.000) 0.330 9.182 ( -1.814 3.780 0.000) 4.193 9.182 ( 1.814 3.780 0.000) 4.193 9.513 ( -3.390 -2.133 0.000) 4.005 9.513 ( 3.390 -2.133 0.000) 4.005 9.568 ( -1.400 -7.148 0.000) 7.284 9.568 ( 1.400 -7.148 0.000) 7.284 9.683 ( -1.980 -2.092 0.000) 2.881 9.683 ( 1.980 -2.092 0.000) 2.881 9.724 ( -0.425 -0.115 0.000) 0.440 9.724 ( 0.425 -0.115 0.000) 0.440 9.850 ( -1.454 2.251 0.000) 2.679 9.850 ( 1.454 2.251 0.000) 2.679 10.272 ( -4.985 -0.971 0.000) 5.079 10.272 ( 4.985 -0.971 0.000) 5.079 10.276 ( -4.939 5.901 0.000) 7.695 10.276 ( 4.939 5.901 0.000) 7.695 10.515 ( -1.584 3.103 0.000) 3.484 10.515 ( 1.584 3.103 0.000) 3.484 10.785 ( -1.433 10.657 0.000) 10.753 10.785 ( 1.433 10.657 0.000) 10.753 10.914 ( -2.698 0.481 0.000) 2.741 10.914 ( 2.698 0.481 0.000) 2.741 11.071 ( -2.625 -5.448 0.000) 6.048 11.071 ( 2.625 -5.448 0.000) 6.048 11.113 ( -1.412 -1.352 0.000) 1.956 11.113 ( 1.412 -1.352 0.000) 1.956 11.351 ( -2.159 0.519 0.000) 2.221 11.351 ( 2.159 0.519 0.000) 2.221 11.668 ( -0.740 0.065 0.000) 0.742 11.668 ( 0.740 0.065 0.000) 0.742 12.216 ( -9.181 -7.185 0.000) 11.658 12.216 ( 9.181 -7.185 0.000) 11.658 12.847 ( -0.146 0.140 0.000) 0.203 12.847 ( 0.146 0.140 0.000) 0.203 12.982 ( -2.496 -3.181 0.000) 4.043 12.982 ( 2.496 -3.181 0.000) 4.043 13.125 ( -0.493 -3.348 0.000) 3.384 13.125 ( 0.493 -3.348 0.000) 3.384 13.185 ( -1.429 -0.905 0.000) 1.692 13.185 ( 1.429 -0.905 0.000) 1.692 13.346 ( -2.320 1.407 0.000) 2.713 13.346 ( 2.320 1.407 0.000) 2.713 13.526 ( -0.260 -0.461 0.000) 0.529 13.526 ( 0.260 -0.461 0.000) 0.529 13.587 ( -0.458 4.805 0.000) 4.826 13.587 ( 0.458 4.805 0.000) 4.826 13.676 ( -0.767 -1.062 0.000) 1.310 13.676 ( 0.767 -1.062 0.000) 1.310 13.904 ( -2.805 2.108 0.000) 3.508 13.904 ( 2.805 2.108 0.000) 3.508 14.005 ( -0.391 -2.356 0.000) 2.388 14.005 ( 0.391 -2.356 0.000) 2.388 14.144 ( -2.434 0.323 0.000) 2.455 14.144 ( 2.434 0.323 0.000) 2.455 14.220 ( -3.047 1.131 0.000) 3.250 14.220 ( 3.047 1.131 0.000) 3.250 15.029 ( -1.109 -0.962 0.000) 1.468 15.029 ( 1.109 -0.962 0.000) 1.468 15.618 ( -0.354 -1.259 0.000) 1.307 15.618 ( 0.354 -1.259 0.000) 1.307 16.027 ( -0.603 -1.608 0.000) 1.717 16.027 ( 0.603 -1.608 0.000) 1.717 16.386 ( -1.622 0.374 0.000) 1.665 16.386 ( 1.622 0.374 0.000) 1.665 17.447 ( -0.336 -2.142 0.000) 2.169 17.447 ( 0.336 -2.142 0.000) 2.169 17.582 ( -0.469 -0.775 0.000) 0.906 17.582 ( 0.469 -0.775 0.000) 0.906 17.613 ( -0.525 0.505 0.000) 0.728 17.613 ( 0.525 0.505 0.000) 0.728 17.803 ( -1.633 2.800 0.000) 3.241 17.803 ( 1.633 2.800 0.000) 3.241 17.899 ( -1.322 -0.899 0.000) 1.599 17.899 ( 1.322 -0.899 0.000) 1.599 17.994 ( -0.926 -2.814 0.000) 2.962 17.994 ( 0.926 -2.814 0.000) 2.962 18.125 ( -1.851 4.025 0.000) 4.430 18.125 ( 1.851 4.025 0.000) 4.430 18.216 ( -1.003 0.185 0.000) 1.020 18.216 ( 1.003 0.185 0.000) 1.020 18.307 ( -1.339 2.939 0.000) 3.230 18.307 ( 1.339 2.939 0.000) 3.230 18.440 ( -3.740 -3.501 0.000) 5.123 18.440 ( 3.740 -3.501 0.000) 5.123 18.772 ( -3.347 4.187 0.000) 5.360 18.772 ( 3.347 4.187 0.000) 5.360 18.925 ( -2.198 -3.304 0.000) 3.968 18.925 ( 2.198 -3.304 0.000) 3.968 19.448 ( -1.522 0.091 0.000) 1.525 19.448 ( 1.522 0.091 0.000) 1.525 19.491 ( -2.200 1.451 0.000) 2.636 19.491 ( 2.200 1.451 0.000) 2.636 19.623 ( -0.340 1.460 0.000) 1.499 19.623 ( 0.340 1.460 0.000) 1.499 19.754 ( -3.698 -5.542 0.000) 6.662 19.754 ( 3.698 -5.542 0.000) 6.662 20.020 ( -0.742 1.370 0.000) 1.558 20.020 ( 0.742 1.370 0.000) 1.558 20.058 ( -0.216 -0.471 0.000) 0.518 20.058 ( 0.216 -0.471 0.000) 0.518 29.670 ( -1.560 -2.109 0.000) 2.623 29.670 ( 1.560 -2.109 0.000) 2.623 29.825 ( -1.700 1.082 0.000) 2.015 29.825 ( 1.700 1.082 0.000) 2.015 29.900 ( -1.509 -1.730 0.000) 2.295 29.900 ( 1.509 -1.730 0.000) 2.295 30.019 ( -0.573 -0.151 0.000) 0.592 30.019 ( 0.573 -0.151 0.000) 0.592 30.659 ( -0.494 0.013 0.000) 0.494 30.659 ( 0.494 0.013 0.000) 0.494 30.780 ( -0.792 1.959 0.000) 2.113 30.780 ( 0.792 1.959 0.000) 2.113 31.521 ( -2.384 3.844 0.000) 4.524 31.521 ( 2.384 3.844 0.000) 4.524 31.699 ( -3.738 -3.961 0.000) 5.446 31.699 ( 3.738 -3.961 0.000) 5.446 31.791 ( -2.655 6.666 0.000) 7.175 31.791 ( 2.655 6.666 0.000) 7.175 31.992 ( -1.363 -1.407 0.000) 1.959 31.992 ( 1.363 -1.407 0.000) 1.959 32.311 ( -2.532 9.581 0.000) 9.910 32.311 ( 2.532 9.581 0.000) 9.910 32.616 ( -4.128 -0.479 0.000) 4.156 32.616 ( 4.128 -0.479 0.000) 4.156 32.939 ( -2.994 8.943 0.000) 9.431 32.939 ( 2.994 8.943 0.000) 9.431 33.053 ( -0.982 -3.347 0.000) 3.488 33.053 ( 0.982 -3.347 0.000) 3.488 33.371 ( -2.151 -1.381 0.000) 2.556 33.371 ( 2.151 -1.381 0.000) 2.556 33.740 ( -7.194 -6.969 0.000) 10.016 33.740 ( 7.194 -6.969 0.000) 10.016 34.287 ( -1.822 -0.729 0.000) 1.963 34.287 ( 1.822 -0.729 0.000) 1.963 34.994 ( -0.871 9.852 0.000) 9.891 34.994 ( 0.871 9.852 0.000) 9.891 35.152 ( -1.372 0.146 0.000) 1.380 35.152 ( 1.372 0.146 0.000) 1.380 35.441 ( -4.641 3.662 0.000) 5.912 35.441 ( 4.641 3.662 0.000) 5.912 36.138 ( -3.503 5.863 0.000) 6.830 36.138 ( 3.503 5.863 0.000) 6.830 36.459 ( -0.285 -5.602 0.000) 5.609 36.459 ( 0.285 -5.602 0.000) 5.609 37.016 ( -3.195 -2.411 0.000) 4.003 37.016 ( 3.195 -2.411 0.000) 4.003 37.488 ( -9.965 -16.680 0.000) 19.430 37.488 ( 9.965 -16.680 0.000) 19.430 ======================= Grid point 15 (10/48) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.541 ( 0.000 -3.284 0.000) 3.284 1.541 ( 0.000 3.284 0.000) 3.284 1.824 ( 0.000 -17.234 0.000) 17.234 1.824 ( 0.000 17.234 0.000) 17.234 2.123 ( 0.000 -1.420 0.000) 1.420 2.123 ( 0.000 1.420 0.000) 1.420 2.377 ( 0.000 -2.590 0.000) 2.590 2.377 ( 0.000 2.590 0.000) 2.590 2.847 ( 0.000 -2.582 0.000) 2.582 2.847 ( 0.000 2.582 0.000) 2.582 2.944 ( 0.000 -13.699 0.000) 13.699 2.944 ( 0.000 13.699 0.000) 13.699 2.946 ( 0.000 -3.957 0.000) 3.957 2.946 ( 0.000 3.957 0.000) 3.957 3.063 ( 0.000 -1.421 0.000) 1.421 3.063 ( 0.000 1.421 0.000) 1.421 3.196 ( 0.000 -11.198 0.000) 11.198 3.196 ( 0.000 11.198 0.000) 11.198 3.257 ( 0.000 -0.675 0.000) 0.675 3.257 ( 0.000 0.675 0.000) 0.675 3.568 ( 0.000 -6.991 0.000) 6.991 3.568 ( 0.000 6.991 0.000) 6.991 3.703 ( 0.000 -11.704 0.000) 11.704 3.703 ( 0.000 11.704 0.000) 11.704 3.892 ( 0.000 -0.492 0.000) 0.492 3.892 ( 0.000 0.492 0.000) 0.492 4.050 ( 0.000 -11.480 0.000) 11.480 4.050 ( 0.000 11.480 0.000) 11.480 4.097 ( 0.000 -20.207 0.000) 20.207 4.097 ( 0.000 20.207 0.000) 20.207 4.216 ( 0.000 -6.750 0.000) 6.750 4.216 ( 0.000 6.750 0.000) 6.750 4.267 ( 0.000 -9.496 0.000) 9.496 4.267 ( 0.000 9.496 0.000) 9.496 4.446 ( 0.000 -19.325 0.000) 19.325 4.446 ( 0.000 19.325 0.000) 19.325 4.453 ( 0.000 -2.883 0.000) 2.883 4.453 ( 0.000 2.883 0.000) 2.883 4.626 ( 0.000 -0.729 0.000) 0.729 4.626 ( 0.000 0.729 0.000) 0.729 4.789 ( 0.000 -8.261 0.000) 8.261 4.789 ( 0.000 8.261 0.000) 8.261 4.881 ( 0.000 -4.748 0.000) 4.748 4.881 ( 0.000 4.748 0.000) 4.748 5.027 ( 0.000 -0.386 0.000) 0.386 5.027 ( 0.000 0.386 0.000) 0.386 5.028 ( 0.000 -2.874 0.000) 2.874 5.028 ( 0.000 2.874 0.000) 2.874 5.131 ( 0.000 -1.061 0.000) 1.061 5.131 ( 0.000 1.061 0.000) 1.061 5.165 ( 0.000 -6.202 0.000) 6.202 5.165 ( 0.000 6.202 0.000) 6.202 5.424 ( 0.000 -15.916 0.000) 15.916 5.424 ( 0.000 15.916 0.000) 15.916 5.578 ( 0.000 -2.086 0.000) 2.086 5.578 ( 0.000 2.086 0.000) 2.086 5.623 ( 0.000 -2.123 0.000) 2.123 5.623 ( 0.000 2.123 0.000) 2.123 5.762 ( 0.000 -3.476 0.000) 3.476 5.762 ( 0.000 3.476 0.000) 3.476 5.966 ( 0.000 -11.564 0.000) 11.564 5.966 ( 0.000 11.564 0.000) 11.564 6.077 ( 0.000 -1.398 0.000) 1.398 6.077 ( 0.000 1.398 0.000) 1.398 6.238 ( 0.000 -6.078 0.000) 6.078 6.238 ( 0.000 6.078 0.000) 6.078 6.394 ( 0.000 -9.040 0.000) 9.040 6.394 ( 0.000 9.040 0.000) 9.040 7.037 ( 0.000 -6.818 0.000) 6.818 7.037 ( 0.000 6.818 0.000) 6.818 7.122 ( 0.000 -6.959 0.000) 6.959 7.122 ( 0.000 6.959 0.000) 6.959 8.518 ( 0.000 -2.214 0.000) 2.214 8.518 ( 0.000 2.214 0.000) 2.214 8.957 ( 0.000 -1.458 0.000) 1.458 8.957 ( 0.000 1.458 0.000) 1.458 9.004 ( 0.000 -2.515 0.000) 2.515 9.004 ( 0.000 2.515 0.000) 2.515 9.157 ( 0.000 -0.996 0.000) 0.996 9.157 ( 0.000 0.996 0.000) 0.996 9.196 ( 0.000 -6.322 0.000) 6.322 9.196 ( 0.000 6.322 0.000) 6.322 9.333 ( 0.000 -3.637 0.000) 3.637 9.333 ( 0.000 3.637 0.000) 3.637 9.475 ( 0.000 -9.891 0.000) 9.891 9.475 ( 0.000 9.891 0.000) 9.891 9.574 ( 0.000 -0.189 0.000) 0.189 9.574 ( 0.000 0.189 0.000) 0.189 9.763 ( 0.000 -1.127 0.000) 1.127 9.763 ( 0.000 1.127 0.000) 1.127 9.900 ( 0.000 -1.463 0.000) 1.463 9.900 ( 0.000 1.463 0.000) 1.463 10.196 ( 0.000 -4.964 0.000) 4.964 10.196 ( 0.000 4.964 0.000) 4.964 10.253 ( 0.000 -10.148 0.000) 10.148 10.253 ( 0.000 10.148 0.000) 10.148 10.576 ( 0.000 -2.072 0.000) 2.072 10.576 ( 0.000 2.072 0.000) 2.072 10.759 ( 0.000 -3.968 0.000) 3.968 10.759 ( 0.000 3.968 0.000) 3.968 10.858 ( 0.000 -5.254 0.000) 5.254 10.858 ( 0.000 5.254 0.000) 5.254 11.055 ( 0.000 -1.659 0.000) 1.659 11.055 ( 0.000 1.659 0.000) 1.659 11.217 ( 0.000 -2.755 0.000) 2.755 11.217 ( 0.000 2.755 0.000) 2.755 11.362 ( 0.000 -1.795 0.000) 1.795 11.362 ( 0.000 1.795 0.000) 1.795 11.602 ( 0.000 -0.728 0.000) 0.728 11.602 ( 0.000 0.728 0.000) 0.728 12.262 ( 0.000 -10.800 0.000) 10.800 12.262 ( 0.000 10.800 0.000) 10.800 12.853 ( 0.000 -0.714 0.000) 0.714 12.853 ( 0.000 0.714 0.000) 0.714 12.973 ( 0.000 -3.540 0.000) 3.540 12.973 ( 0.000 3.540 0.000) 3.540 13.136 ( 0.000 -2.393 0.000) 2.393 13.136 ( 0.000 2.393 0.000) 2.393 13.210 ( 0.000 -0.666 0.000) 0.666 13.210 ( 0.000 0.666 0.000) 0.666 13.212 ( 0.000 -2.827 0.000) 2.827 13.212 ( 0.000 2.827 0.000) 2.827 13.514 ( 0.000 -0.420 0.000) 0.420 13.514 ( 0.000 0.420 0.000) 0.420 13.617 ( 0.000 -2.040 0.000) 2.040 13.617 ( 0.000 2.040 0.000) 2.040 13.813 ( 0.000 -0.438 0.000) 0.438 13.813 ( 0.000 0.438 0.000) 0.438 13.939 ( 0.000 -6.879 0.000) 6.879 13.939 ( 0.000 6.879 0.000) 6.879 13.968 ( 0.000 -0.214 0.000) 0.214 13.968 ( 0.000 0.214 0.000) 0.214 14.074 ( 0.000 -0.314 0.000) 0.314 14.074 ( 0.000 0.314 0.000) 0.314 14.278 ( 0.000 -1.971 0.000) 1.971 14.278 ( 0.000 1.971 0.000) 1.971 15.000 ( 0.000 -1.831 0.000) 1.831 15.000 ( 0.000 1.831 0.000) 1.831 15.651 ( 0.000 -0.414 0.000) 0.414 15.651 ( 0.000 0.414 0.000) 0.414 16.036 ( 0.000 -0.350 0.000) 0.350 16.036 ( 0.000 0.350 0.000) 0.350 16.423 ( 0.000 -2.006 0.000) 2.006 16.423 ( 0.000 2.006 0.000) 2.006 17.523 ( 0.000 -1.627 0.000) 1.627 17.523 ( 0.000 1.627 0.000) 1.627 17.546 ( 0.000 -1.217 0.000) 1.217 17.546 ( 0.000 1.217 0.000) 1.217 17.720 ( 0.000 -2.554 0.000) 2.554 17.720 ( 0.000 2.554 0.000) 2.554 17.740 ( 0.000 -2.284 0.000) 2.284 17.740 ( 0.000 2.284 0.000) 2.284 17.906 ( 0.000 -2.148 0.000) 2.148 17.906 ( 0.000 2.148 0.000) 2.148 17.925 ( 0.000 -0.610 0.000) 0.610 17.925 ( 0.000 0.610 0.000) 0.610 18.097 ( 0.000 -2.848 0.000) 2.848 18.097 ( 0.000 2.848 0.000) 2.848 18.232 ( 0.000 -0.064 0.000) 0.064 18.232 ( 0.000 0.064 0.000) 0.064 18.314 ( 0.000 -1.650 0.000) 1.650 18.314 ( 0.000 1.650 0.000) 1.650 18.472 ( 0.000 -4.646 0.000) 4.646 18.472 ( 0.000 4.646 0.000) 4.646 18.769 ( 0.000 -4.786 0.000) 4.786 18.769 ( 0.000 4.786 0.000) 4.786 18.931 ( 0.000 -3.136 0.000) 3.136 18.931 ( 0.000 3.136 0.000) 3.136 19.445 ( 0.000 -2.324 0.000) 2.324 19.445 ( 0.000 2.324 0.000) 2.324 19.488 ( 0.000 -2.788 0.000) 2.788 19.488 ( 0.000 2.788 0.000) 2.788 19.617 ( 0.000 -0.906 0.000) 0.906 19.617 ( 0.000 0.906 0.000) 0.906 19.723 ( 0.000 -5.013 0.000) 5.013 19.723 ( 0.000 5.013 0.000) 5.013 19.972 ( 0.000 -2.754 0.000) 2.754 19.972 ( 0.000 2.754 0.000) 2.754 20.054 ( 0.000 -0.695 0.000) 0.695 20.054 ( 0.000 0.695 0.000) 0.695 29.640 ( 0.000 -2.048 0.000) 2.048 29.640 ( 0.000 2.048 0.000) 2.048 29.826 ( 0.000 -1.772 0.000) 1.772 29.826 ( 0.000 1.772 0.000) 1.772 29.920 ( 0.000 -0.762 0.000) 0.762 29.920 ( 0.000 0.762 0.000) 0.762 30.000 ( 0.000 -1.457 0.000) 1.457 30.000 ( 0.000 1.457 0.000) 1.457 30.660 ( 0.000 -0.754 0.000) 0.754 30.660 ( 0.000 0.754 0.000) 0.754 30.804 ( 0.000 -1.311 0.000) 1.311 30.804 ( 0.000 1.311 0.000) 1.311 31.513 ( 0.000 -3.470 0.000) 3.470 31.513 ( 0.000 3.470 0.000) 3.470 31.672 ( 0.000 -5.409 0.000) 5.409 31.672 ( 0.000 5.409 0.000) 5.409 31.879 ( 0.000 -7.462 0.000) 7.462 31.879 ( 0.000 7.462 0.000) 7.462 31.972 ( 0.000 -1.856 0.000) 1.856 31.972 ( 0.000 1.856 0.000) 1.856 32.434 ( 0.000 -5.715 0.000) 5.715 32.434 ( 0.000 5.715 0.000) 5.715 32.674 ( 0.000 -7.962 0.000) 7.962 32.674 ( 0.000 7.962 0.000) 7.962 32.962 ( 0.000 -3.219 0.000) 3.219 32.962 ( 0.000 3.219 0.000) 3.219 33.001 ( 0.000 -1.411 0.000) 1.411 33.001 ( 0.000 1.411 0.000) 1.411 33.447 ( 0.000 -1.304 0.000) 1.304 33.447 ( 0.000 1.304 0.000) 1.304 33.491 ( 0.000 -12.601 0.000) 12.601 33.491 ( 0.000 12.601 0.000) 12.601 34.296 ( 0.000 -2.018 0.000) 2.018 34.296 ( 0.000 2.018 0.000) 2.018 35.156 ( 0.000 -0.941 0.000) 0.941 35.156 ( 0.000 0.941 0.000) 0.941 35.406 ( 0.000 -12.148 0.000) 12.148 35.406 ( 0.000 12.148 0.000) 12.148 35.422 ( 0.000 -3.741 0.000) 3.741 35.422 ( 0.000 3.741 0.000) 3.741 36.309 ( 0.000 -5.163 0.000) 5.163 36.309 ( 0.000 5.163 0.000) 5.163 36.468 ( 0.000 -0.033 0.000) 0.033 36.468 ( 0.000 0.033 0.000) 0.033 36.602 ( 0.000 -13.198 0.000) 13.198 36.602 ( 0.000 13.198 0.000) 13.198 37.378 ( 0.000 -12.623 0.000) 12.623 37.378 ( 0.000 12.623 0.000) 12.623 ======================= Grid point 17 (11/48) ======================= q-point: ( 0.25 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.752 ( 15.583 -5.107 0.000) 16.399 1.752 ( 15.583 5.107 0.000) 16.399 1.974 ( 10.931 -5.586 0.000) 12.275 1.974 ( 10.931 5.586 0.000) 12.275 2.198 ( 7.454 -0.519 0.000) 7.472 2.198 ( 7.454 0.519 0.000) 7.472 2.398 ( 3.632 -2.015 0.000) 4.153 2.398 ( 3.632 2.015 0.000) 4.153 2.761 ( -10.898 -0.149 0.000) 10.899 2.761 ( -10.898 0.149 0.000) 10.899 2.866 ( 0.944 -0.959 0.000) 1.345 2.866 ( 0.944 0.959 0.000) 1.345 3.029 ( -9.236 -10.098 0.000) 13.684 3.029 ( -9.236 10.098 0.000) 13.684 3.066 ( 4.531 -13.515 0.000) 14.254 3.066 ( 4.531 13.515 0.000) 14.254 3.155 ( 6.877 -0.173 0.000) 6.879 3.155 ( 6.877 0.173 0.000) 6.879 3.353 ( 2.239 -2.840 0.000) 3.616 3.353 ( 2.239 2.840 0.000) 3.616 3.427 ( -7.107 -15.550 0.000) 17.097 3.427 ( -7.107 15.550 0.000) 17.097 3.646 ( -4.696 -2.777 0.000) 5.456 3.646 ( -4.696 2.777 0.000) 5.456 3.756 ( -7.513 -9.895 0.000) 12.424 3.756 ( -7.513 9.895 0.000) 12.424 3.986 ( -7.926 -0.001 0.000) 7.926 3.986 ( -7.926 0.001 0.000) 7.926 4.169 ( 2.761 -4.985 0.000) 5.698 4.169 ( 2.761 4.985 0.000) 5.698 4.293 ( 8.429 -3.415 0.000) 9.095 4.293 ( 8.429 3.415 0.000) 9.095 4.383 ( 6.006 -7.320 0.000) 9.468 4.383 ( 6.006 7.320 0.000) 9.468 4.462 ( -1.504 -0.187 0.000) 1.516 4.462 ( -1.504 0.187 0.000) 1.516 4.511 ( 4.792 -1.976 0.000) 5.184 4.511 ( 4.792 1.976 0.000) 5.184 4.554 ( -2.708 -3.240 0.000) 4.222 4.554 ( -2.708 3.240 0.000) 4.222 4.793 ( -1.370 -9.056 0.000) 9.159 4.793 ( -1.370 9.056 0.000) 9.159 4.875 ( 1.244 -3.937 0.000) 4.129 4.875 ( 1.244 3.937 0.000) 4.129 4.987 ( -2.097 -1.030 0.000) 2.337 4.987 ( -2.097 1.030 0.000) 2.337 5.077 ( 3.270 -0.931 0.000) 3.400 5.077 ( 3.270 0.931 0.000) 3.400 5.196 ( 4.906 -0.172 0.000) 4.909 5.196 ( 4.906 0.172 0.000) 4.909 5.218 ( 5.286 -5.126 0.000) 7.363 5.218 ( 5.286 5.126 0.000) 7.363 5.390 ( -3.590 -11.638 0.000) 12.179 5.390 ( -3.590 11.638 0.000) 12.179 5.552 ( -7.811 -5.793 0.000) 9.725 5.552 ( -7.811 5.793 0.000) 9.725 5.603 ( 1.794 -0.342 0.000) 1.826 5.603 ( 1.794 0.342 0.000) 1.826 5.729 ( 0.390 -2.942 0.000) 2.968 5.729 ( 0.390 2.942 0.000) 2.968 5.945 ( -2.328 -1.289 0.000) 2.661 5.945 ( -2.328 1.289 0.000) 2.661 5.994 ( -5.624 -0.172 0.000) 5.626 5.994 ( -5.624 0.172 0.000) 5.626 6.270 ( 1.596 -5.970 0.000) 6.180 6.270 ( 1.596 5.970 0.000) 6.180 6.382 ( -2.192 -9.741 0.000) 9.985 6.382 ( -2.192 9.741 0.000) 9.985 7.027 ( -0.219 -4.654 0.000) 4.659 7.027 ( -0.219 4.654 0.000) 4.659 7.105 ( -1.330 -4.580 0.000) 4.770 7.105 ( -1.330 4.580 0.000) 4.770 8.513 ( -0.374 -1.174 0.000) 1.232 8.513 ( -0.374 1.174 0.000) 1.232 8.926 ( -2.139 -0.884 0.000) 2.314 8.926 ( -2.139 0.884 0.000) 2.314 9.015 ( 0.234 -0.194 0.000) 0.304 9.015 ( 0.234 0.194 0.000) 0.304 9.072 ( -2.515 -1.474 0.000) 2.915 9.072 ( -2.515 1.474 0.000) 2.915 9.271 ( 0.035 -1.979 0.000) 1.980 9.271 ( 0.035 1.979 0.000) 1.980 9.399 ( 5.214 -3.376 0.000) 6.212 9.399 ( 5.214 3.376 0.000) 6.212 9.436 ( 1.678 -0.002 0.000) 1.678 9.436 ( 1.678 0.002 0.000) 1.678 9.651 ( 3.199 -0.426 0.000) 3.227 9.651 ( 3.199 0.426 0.000) 3.227 9.742 ( -1.649 -0.009 0.000) 1.649 9.742 ( -1.649 0.009 0.000) 1.649 9.885 ( -1.171 -1.122 0.000) 1.622 9.885 ( -1.171 1.122 0.000) 1.622 10.226 ( 2.499 -2.099 0.000) 3.264 10.226 ( 2.499 2.099 0.000) 3.264 10.320 ( 4.225 -3.902 0.000) 5.751 10.320 ( 4.225 3.902 0.000) 5.751 10.571 ( -1.030 -0.398 0.000) 1.105 10.571 ( -1.030 0.398 0.000) 1.105 10.781 ( 4.509 -4.521 0.000) 6.385 10.781 ( 4.509 4.521 0.000) 6.385 10.891 ( 2.009 -1.847 0.000) 2.729 10.891 ( 2.009 1.847 0.000) 2.729 11.061 ( 0.495 -0.335 0.000) 0.598 11.061 ( 0.495 0.335 0.000) 0.598 11.146 ( -6.527 -1.349 0.000) 6.665 11.146 ( -6.527 1.349 0.000) 6.665 11.362 ( -0.049 -0.537 0.000) 0.539 11.362 ( -0.049 0.537 0.000) 0.539 11.628 ( 2.351 -0.004 0.000) 2.351 11.628 ( 2.351 0.004 0.000) 2.351 12.203 ( -5.078 -8.187 0.000) 9.634 12.203 ( -5.078 8.187 0.000) 9.634 12.851 ( -0.154 -0.468 0.000) 0.492 12.851 ( -0.154 0.468 0.000) 0.492 12.962 ( -0.630 -2.606 0.000) 2.681 12.962 ( -0.630 2.606 0.000) 2.681 13.106 ( -2.125 -0.295 0.000) 2.145 13.106 ( -2.125 0.295 0.000) 2.145 13.182 ( -0.691 -1.030 0.000) 1.240 13.182 ( -0.691 1.030 0.000) 1.240 13.293 ( 5.079 -1.825 0.000) 5.397 13.293 ( 5.079 1.825 0.000) 5.397 13.515 ( 0.140 -0.349 0.000) 0.376 13.515 ( 0.140 0.349 0.000) 0.376 13.631 ( 1.096 -0.679 0.000) 1.289 13.631 ( 1.096 0.679 0.000) 1.289 13.749 ( -5.109 -0.006 0.000) 5.109 13.749 ( -5.109 0.006 0.000) 5.109 13.933 ( -0.038 -4.476 0.000) 4.477 13.933 ( -0.038 4.476 0.000) 4.477 13.985 ( -1.257 -0.293 0.000) 1.290 13.985 ( -1.257 0.293 0.000) 1.290 14.094 ( 3.488 -0.169 0.000) 3.492 14.094 ( 3.488 0.169 0.000) 3.492 14.257 ( -1.805 -1.371 0.000) 2.266 14.257 ( -1.805 1.371 0.000) 2.266 15.010 ( 0.784 -0.972 0.000) 1.249 15.010 ( 0.784 0.972 0.000) 1.249 15.628 ( -1.831 -0.281 0.000) 1.853 15.628 ( -1.831 0.281 0.000) 1.853 16.022 ( -0.911 -0.085 0.000) 0.915 16.022 ( -0.911 0.085 0.000) 0.915 16.406 ( -1.325 -1.422 0.000) 1.944 16.406 ( -1.325 1.422 0.000) 1.944 17.471 ( -3.452 -0.157 0.000) 3.455 17.471 ( -3.452 0.157 0.000) 3.455 17.563 ( 0.739 -0.002 0.000) 0.739 17.563 ( 0.739 0.002 0.000) 0.739 17.644 ( -2.464 -0.511 0.000) 2.516 17.644 ( -2.464 0.511 0.000) 2.516 17.820 ( 2.603 -1.935 0.000) 3.244 17.820 ( 2.603 1.935 0.000) 3.244 17.896 ( -0.907 -0.820 0.000) 1.223 17.896 ( -0.907 0.820 0.000) 1.223 17.936 ( 1.480 -1.112 0.000) 1.851 17.936 ( 1.480 1.112 0.000) 1.851 18.143 ( 3.302 -1.873 0.000) 3.797 18.143 ( 3.302 1.873 0.000) 3.797 18.214 ( -1.059 -0.001 0.000) 1.059 18.214 ( -1.059 0.001 0.000) 1.059 18.332 ( 1.269 -0.782 0.000) 1.491 18.332 ( 1.269 0.782 0.000) 1.491 18.437 ( -3.033 -3.109 0.000) 4.343 18.437 ( -3.033 3.109 0.000) 4.343 18.798 ( 2.389 -2.748 0.000) 3.641 18.798 ( 2.389 2.748 0.000) 3.641 18.905 ( -2.189 -2.652 0.000) 3.439 18.905 ( -2.189 2.652 0.000) 3.439 19.451 ( 0.038 -1.426 0.000) 1.426 19.451 ( 0.038 1.426 0.000) 1.426 19.493 ( 0.932 -1.767 0.000) 1.998 19.493 ( 0.932 1.767 0.000) 1.998 19.630 ( 1.161 -0.394 0.000) 1.226 19.630 ( 1.161 0.394 0.000) 1.226 19.707 ( -1.449 -4.439 0.000) 4.669 19.707 ( -1.449 4.439 0.000) 4.669 20.003 ( 2.386 -1.810 0.000) 2.995 20.003 ( 2.386 1.810 0.000) 2.995 20.055 ( -0.004 -0.483 0.000) 0.483 20.055 ( -0.004 0.483 0.000) 0.483 29.645 ( 0.322 -1.455 0.000) 1.490 29.645 ( 0.322 1.455 0.000) 1.490 29.830 ( 0.444 -1.441 0.000) 1.508 29.830 ( 0.444 1.441 0.000) 1.508 29.901 ( -1.496 -0.844 0.000) 1.718 29.901 ( -1.496 0.844 0.000) 1.718 30.010 ( 0.643 -0.806 0.000) 1.032 30.010 ( 0.643 0.806 0.000) 1.032 30.659 ( -0.041 -0.525 0.000) 0.527 30.659 ( -0.041 0.525 0.000) 0.527 30.802 ( -0.174 -0.886 0.000) 0.903 30.802 ( -0.174 0.886 0.000) 0.903 31.545 ( 2.772 -3.913 0.000) 4.795 31.545 ( 2.772 3.913 0.000) 4.795 31.655 ( -1.602 -5.230 0.000) 5.470 31.655 ( -1.602 5.230 0.000) 5.470 31.895 ( 1.348 -6.955 0.000) 7.084 31.895 ( 1.348 6.955 0.000) 7.084 31.953 ( -1.508 -2.878 0.000) 3.249 31.953 ( -1.508 2.878 0.000) 3.249 32.437 ( 0.344 -4.522 0.000) 4.535 32.437 ( 0.344 4.522 0.000) 4.535 32.624 ( -3.480 -5.946 0.000) 6.890 32.624 ( -3.480 5.946 0.000) 6.890 32.989 ( 1.041 -2.026 0.000) 2.277 32.989 ( 1.041 2.026 0.000) 2.277 33.011 ( 1.406 -0.546 0.000) 1.509 33.011 ( 1.406 0.546 0.000) 1.509 33.434 ( -0.975 -0.012 0.000) 0.975 33.434 ( -0.975 0.012 0.000) 0.975 33.550 ( 4.613 -8.342 0.000) 9.533 33.550 ( 4.613 8.342 0.000) 9.533 34.287 ( -0.620 -1.528 0.000) 1.649 34.287 ( -0.620 1.528 0.000) 1.649 35.145 ( -1.392 -0.233 0.000) 1.412 35.145 ( -1.392 0.233 0.000) 1.412 35.245 ( -9.304 -3.823 0.000) 10.059 35.245 ( -9.304 3.823 0.000) 10.059 35.468 ( 1.082 -5.180 0.000) 5.292 35.468 ( 1.082 5.180 0.000) 5.292 36.257 ( -2.953 -0.455 0.000) 2.988 36.257 ( -2.953 0.455 0.000) 2.988 36.385 ( -1.745 -0.237 0.000) 1.761 36.385 ( -1.745 0.237 0.000) 1.761 36.839 ( 12.760 -0.065 0.000) 12.760 36.839 ( 12.760 0.065 0.000) 12.760 37.351 ( -2.405 -10.593 0.000) 10.862 37.351 ( -2.405 10.593 0.000) 10.862 ======================= Grid point 19 (12/48) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -0.000 0.000 0.000) 0.000 1.982 ( -0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.051 ( 0.000 0.000 0.000) 0.000 2.374 ( -0.000 0.000 0.000) 0.000 2.374 ( 0.000 -0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 0.000 0.000) 0.000 2.680 ( 0.000 -0.000 0.000) 0.000 2.771 ( -0.000 0.000 0.000) 0.000 2.771 ( -0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 2.915 ( 0.000 0.000 0.000) 0.000 3.150 ( -0.000 -0.000 0.000) 0.000 3.150 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.205 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.304 ( 0.000 0.000 0.000) 0.000 3.487 ( -0.000 -0.000 0.000) 0.000 3.487 ( -0.000 -0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.555 ( 0.000 0.000 0.000) 0.000 3.670 ( 0.000 -0.000 0.000) 0.000 3.670 ( 0.000 -0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 3.850 ( 0.000 0.000 0.000) 0.000 4.203 ( -0.000 -0.000 0.000) 0.000 4.203 ( 0.000 0.000 0.000) 0.000 4.342 ( -0.000 -0.000 0.000) 0.000 4.342 ( 0.000 -0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.504 ( 0.000 0.000 0.000) 0.000 4.519 ( 0.000 -0.000 0.000) 0.000 4.519 ( 0.000 0.000 0.000) 0.000 4.664 ( -0.000 -0.000 0.000) 0.000 4.664 ( -0.000 0.000 0.000) 0.000 4.681 ( 0.000 -0.000 0.000) 0.000 4.681 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.895 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 4.971 ( 0.000 0.000 0.000) 0.000 5.200 ( -0.000 -0.000 0.000) 0.000 5.200 ( 0.000 -0.000 0.000) 0.000 5.230 ( -0.000 0.000 0.000) 0.000 5.230 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 -0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.333 ( -0.000 -0.000 0.000) 0.000 5.333 ( 0.000 0.000 0.000) 0.000 5.393 ( -0.000 0.000 0.000) 0.000 5.393 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.644 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.748 ( 0.000 0.000 0.000) 0.000 5.906 ( -0.000 -0.000 0.000) 0.000 5.906 ( -0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 5.913 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.283 ( 0.000 0.000 0.000) 0.000 6.345 ( 0.000 -0.000 0.000) 0.000 6.345 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.029 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 7.087 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.508 ( 0.000 0.000 0.000) 0.000 8.900 ( 0.000 0.000 0.000) 0.000 8.900 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.008 ( 0.000 0.000 0.000) 0.000 9.058 ( 0.000 0.000 0.000) 0.000 9.058 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.251 ( 0.000 0.000 0.000) 0.000 9.469 ( -0.000 -0.000 0.000) 0.000 9.469 ( 0.000 -0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.663 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.733 ( 0.000 0.000 0.000) 0.000 9.869 ( -0.000 0.000 0.000) 0.000 9.869 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.262 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.555 ( 0.000 0.000 0.000) 0.000 10.887 ( 0.000 0.000 0.000) 0.000 10.887 ( 0.000 0.000 0.000) 0.000 10.970 ( -0.000 -0.000 0.000) 0.000 10.970 ( 0.000 -0.000 0.000) 0.000 10.973 ( -0.000 0.000 0.000) 0.000 10.973 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.069 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.360 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 11.666 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.127 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 12.956 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.081 ( 0.000 0.000 0.000) 0.000 13.176 ( 0.000 0.000 0.000) 0.000 13.176 ( 0.000 0.000 0.000) 0.000 13.368 ( 0.000 0.000 0.000) 0.000 13.368 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.515 ( 0.000 0.000 0.000) 0.000 13.647 ( -0.000 0.000 0.000) 0.000 13.647 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 13.671 ( 0.000 0.000 0.000) 0.000 13.932 ( -0.000 0.000 0.000) 0.000 13.932 ( 0.000 0.000 0.000) 0.000 13.961 ( 0.000 -0.000 0.000) 0.000 13.961 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 0.000 0.000) 0.000 14.154 ( 0.000 0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 14.225 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.020 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 15.604 ( 0.000 0.000 0.000) 0.000 16.012 ( 0.000 0.000 0.000) 0.000 16.012 ( 0.000 0.000 0.000) 0.000 16.388 ( 0.000 0.000 0.000) 0.000 16.388 ( 0.000 0.000 0.000) 0.000 17.428 ( 0.000 0.000 0.000) 0.000 17.428 ( 0.000 0.000 0.000) 0.000 17.571 ( 0.000 0.000 0.000) 0.000 17.571 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 17.621 ( 0.000 0.000 0.000) 0.000 17.839 ( 0.000 0.000 0.000) 0.000 17.839 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 0.000) 0.000 17.958 ( 0.000 0.000 0.000) 0.000 18.187 ( 0.000 -0.000 0.000) 0.000 18.187 ( 0.000 -0.000 0.000) 0.000 18.201 ( 0.000 0.000 0.000) 0.000 18.201 ( 0.000 0.000 0.000) 0.000 18.369 ( -0.000 -0.000 0.000) 0.000 18.369 ( 0.000 -0.000 0.000) 0.000 18.372 ( -0.000 0.000 0.000) 0.000 18.372 ( 0.000 0.000 0.000) 0.000 18.853 ( -0.000 -0.000 0.000) 0.000 18.853 ( -0.000 0.000 0.000) 0.000 18.853 ( 0.000 -0.000 0.000) 0.000 18.853 ( 0.000 0.000 0.000) 0.000 19.449 ( 0.000 0.000 0.000) 0.000 19.449 ( 0.000 0.000 0.000) 0.000 19.509 ( 0.000 0.000 0.000) 0.000 19.509 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 19.658 ( 0.000 0.000 0.000) 0.000 19.676 ( -0.000 -0.000 0.000) 0.000 19.676 ( 0.000 -0.000 0.000) 0.000 20.040 ( -0.000 0.000 0.000) 0.000 20.040 ( 0.000 0.000 0.000) 0.000 20.049 ( -0.000 0.000 0.000) 0.000 20.049 ( 0.000 0.000 0.000) 0.000 29.649 ( 0.000 0.000 0.000) 0.000 29.649 ( 0.000 0.000 0.000) 0.000 29.838 ( -0.000 -0.000 0.000) 0.000 29.838 ( 0.000 0.000 0.000) 0.000 29.879 ( 0.000 -0.000 0.000) 0.000 29.879 ( 0.000 0.000 0.000) 0.000 30.018 ( 0.000 0.000 0.000) 0.000 30.018 ( 0.000 0.000 0.000) 0.000 30.659 ( 0.000 0.000 0.000) 0.000 30.659 ( 0.000 0.000 0.000) 0.000 30.800 ( 0.000 0.000 0.000) 0.000 30.800 ( 0.000 0.000 0.000) 0.000 31.604 ( -0.000 0.000 0.000) 0.000 31.604 ( 0.000 0.000 0.000) 0.000 31.611 ( -0.000 -0.000 0.000) 0.000 31.611 ( 0.000 -0.000 0.000) 0.000 31.922 ( -0.000 -0.000 0.000) 0.000 31.922 ( -0.000 0.000 0.000) 0.000 31.924 ( 0.000 -0.000 0.000) 0.000 31.924 ( 0.000 0.000 0.000) 0.000 32.443 ( 0.000 0.000 0.000) 0.000 32.443 ( 0.000 0.000 0.000) 0.000 32.580 ( 0.000 0.000 0.000) 0.000 32.580 ( 0.000 -0.000 0.000) 0.000 32.996 ( 0.000 -0.000 0.000) 0.000 32.996 ( 0.000 0.000 0.000) 0.000 33.033 ( 0.000 0.000 0.000) 0.000 33.033 ( 0.000 0.000 0.000) 0.000 33.421 ( 0.000 0.000 0.000) 0.000 33.421 ( 0.000 0.000 0.000) 0.000 33.612 ( 0.000 0.000 0.000) 0.000 33.612 ( 0.000 0.000 0.000) 0.000 34.280 ( 0.000 0.000 0.000) 0.000 34.280 ( 0.000 0.000 0.000) 0.000 35.089 ( 0.000 0.000 0.000) 0.000 35.089 ( 0.000 0.000 0.000) 0.000 35.165 ( 0.000 0.000 0.000) 0.000 35.165 ( 0.000 0.000 0.000) 0.000 35.478 ( 0.000 0.000 0.000) 0.000 35.478 ( 0.000 0.000 0.000) 0.000 36.231 ( 0.000 0.000 0.000) 0.000 36.231 ( 0.000 0.000 0.000) 0.000 36.371 ( 0.000 0.000 0.000) 0.000 36.371 ( 0.000 0.000 0.000) 0.000 36.991 ( -0.000 0.000 0.000) 0.000 36.991 ( 0.000 0.000 0.000) 0.000 37.311 ( 0.000 0.000 0.000) 0.000 37.311 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 35 (13/48) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.651 ( 0.000 0.000 33.518) 33.518 0.734 ( 0.000 0.000 37.827) 37.827 1.320 ( 0.000 0.000 60.211) 60.211 1.552 ( 0.000 0.000 6.780) 6.780 2.087 ( 0.000 0.000 -4.530) 4.530 2.120 ( 0.000 0.000 -0.281) 0.281 2.128 ( 0.000 0.000 1.666) 1.666 2.170 ( 0.000 0.000 -5.390) 5.390 2.342 ( 0.000 0.000 2.938) 2.938 2.450 ( 0.000 0.000 2.731) 2.731 2.646 ( 0.000 0.000 0.045) 0.045 2.795 ( 0.000 0.000 -3.148) 3.148 2.800 ( 0.000 0.000 -3.595) 3.595 2.834 ( 0.000 0.000 -9.043) 9.043 2.998 ( 0.000 0.000 4.033) 4.033 3.030 ( 0.000 0.000 -3.873) 3.873 3.174 ( 0.000 0.000 -1.910) 1.910 3.210 ( 0.000 0.000 -10.726) 10.726 3.238 ( 0.000 0.000 7.203) 7.203 3.292 ( 0.000 0.000 0.426) 0.426 3.328 ( 0.000 0.000 -5.398) 5.398 3.335 ( 0.000 0.000 8.920) 8.920 3.581 ( 0.000 0.000 2.416) 2.416 3.643 ( 0.000 0.000 6.204) 6.204 3.695 ( 0.000 0.000 -11.009) 11.009 3.706 ( 0.000 0.000 13.933) 13.933 3.918 ( 0.000 0.000 2.387) 2.387 3.921 ( 0.000 0.000 9.570) 9.570 3.997 ( 0.000 0.000 4.856) 4.856 4.038 ( 0.000 0.000 -4.928) 4.928 4.177 ( 0.000 0.000 7.681) 7.681 4.195 ( 0.000 0.000 -2.508) 2.508 4.381 ( 0.000 0.000 0.401) 0.401 4.386 ( 0.000 0.000 -2.669) 2.669 4.481 ( 0.000 0.000 4.561) 4.561 4.546 ( 0.000 0.000 5.037) 5.037 4.550 ( 0.000 0.000 -4.900) 4.900 4.669 ( 0.000 0.000 -2.680) 2.680 4.683 ( 0.000 0.000 2.464) 2.464 4.697 ( 0.000 0.000 11.854) 11.854 4.794 ( 0.000 0.000 6.001) 6.001 4.795 ( 0.000 0.000 1.847) 1.847 5.056 ( 0.000 0.000 -3.463) 3.463 5.113 ( 0.000 0.000 3.836) 3.836 5.122 ( 0.000 0.000 0.022) 0.022 5.167 ( 0.000 0.000 -7.025) 7.025 5.198 ( 0.000 0.000 5.188) 5.188 5.231 ( 0.000 0.000 -2.159) 2.159 5.261 ( 0.000 0.000 -9.163) 9.163 5.286 ( 0.000 0.000 -1.688) 1.688 5.332 ( 0.000 0.000 -3.248) 3.248 5.411 ( 0.000 0.000 4.939) 4.939 5.420 ( 0.000 0.000 -5.670) 5.670 5.486 ( 0.000 0.000 7.733) 7.733 5.561 ( 0.000 0.000 1.075) 1.075 5.603 ( 0.000 0.000 -11.005) 11.005 5.637 ( 0.000 0.000 -2.835) 2.835 5.678 ( 0.000 0.000 -11.648) 11.648 5.844 ( 0.000 0.000 13.615) 13.615 6.015 ( 0.000 0.000 2.467) 2.467 6.026 ( 0.000 0.000 7.457) 7.457 6.072 ( 0.000 0.000 5.722) 5.722 6.151 ( 0.000 0.000 -5.910) 5.910 6.178 ( 0.000 0.000 2.776) 2.776 6.268 ( 0.000 0.000 10.671) 10.671 6.358 ( 0.000 0.000 -0.619) 0.619 6.456 ( 0.000 0.000 -5.192) 5.192 6.552 ( 0.000 0.000 -4.716) 4.716 6.706 ( 0.000 0.000 3.481) 3.481 6.782 ( 0.000 0.000 -4.396) 4.396 7.249 ( 0.000 0.000 -20.464) 20.464 7.704 ( 0.000 0.000 -1.827) 1.827 8.448 ( 0.000 0.000 4.242) 4.242 8.536 ( 0.000 0.000 4.616) 4.616 8.653 ( 0.000 0.000 -6.567) 6.567 8.767 ( 0.000 0.000 -5.076) 5.076 8.845 ( 0.000 0.000 5.261) 5.261 8.900 ( 0.000 0.000 3.826) 3.826 9.067 ( 0.000 0.000 8.070) 8.070 9.146 ( 0.000 0.000 1.511) 1.511 9.215 ( 0.000 0.000 -20.962) 20.962 9.233 ( 0.000 0.000 -3.838) 3.838 9.351 ( 0.000 0.000 -4.926) 4.926 9.395 ( 0.000 0.000 -2.081) 2.081 9.415 ( 0.000 0.000 -9.119) 9.119 9.478 ( 0.000 0.000 -1.087) 1.087 9.614 ( 0.000 0.000 1.246) 1.246 9.739 ( 0.000 0.000 -5.688) 5.688 9.745 ( 0.000 0.000 -7.127) 7.127 9.845 ( 0.000 0.000 -0.865) 0.865 9.878 ( 0.000 0.000 2.288) 2.288 9.887 ( 0.000 0.000 2.616) 2.616 9.889 ( 0.000 0.000 -2.743) 2.743 9.915 ( 0.000 0.000 -2.436) 2.436 10.207 ( 0.000 0.000 7.315) 7.315 10.321 ( 0.000 0.000 -6.687) 6.687 10.414 ( 0.000 0.000 2.140) 2.140 10.472 ( 0.000 0.000 -0.958) 0.958 10.495 ( 0.000 0.000 -5.854) 5.854 10.710 ( 0.000 0.000 13.951) 13.951 10.843 ( 0.000 0.000 -5.114) 5.114 10.886 ( 0.000 0.000 5.616) 5.616 10.980 ( 0.000 0.000 -6.585) 6.585 11.043 ( 0.000 0.000 5.827) 5.827 11.080 ( 0.000 0.000 -2.116) 2.116 11.281 ( 0.000 0.000 9.537) 9.537 11.532 ( 0.000 0.000 11.645) 11.645 11.573 ( 0.000 0.000 -0.364) 0.364 11.574 ( 0.000 0.000 1.750) 1.750 11.614 ( 0.000 0.000 -0.639) 0.639 12.227 ( 0.000 0.000 -0.093) 0.093 12.384 ( 0.000 0.000 -17.754) 17.754 12.874 ( 0.000 0.000 1.184) 1.184 12.906 ( 0.000 0.000 0.567) 0.567 12.979 ( 0.000 0.000 3.205) 3.205 13.100 ( 0.000 0.000 -4.578) 4.578 13.168 ( 0.000 0.000 -3.163) 3.163 13.215 ( 0.000 0.000 -0.156) 0.156 13.222 ( 0.000 0.000 -1.309) 1.309 13.257 ( 0.000 0.000 1.014) 1.014 13.267 ( 0.000 0.000 2.284) 2.284 13.314 ( 0.000 0.000 -1.386) 1.386 13.401 ( 0.000 0.000 -1.655) 1.655 13.401 ( 0.000 0.000 -0.380) 0.380 13.602 ( 0.000 0.000 3.318) 3.318 13.648 ( 0.000 0.000 0.005) 0.005 13.732 ( 0.000 0.000 0.877) 0.877 13.734 ( 0.000 0.000 -6.846) 6.846 13.766 ( 0.000 0.000 2.848) 2.848 13.860 ( 0.000 0.000 -9.909) 9.909 13.952 ( 0.000 0.000 -0.091) 0.091 13.981 ( 0.000 0.000 -3.442) 3.442 14.052 ( 0.000 0.000 4.572) 4.572 14.074 ( 0.000 0.000 -0.629) 0.629 14.148 ( 0.000 0.000 -4.564) 4.564 14.179 ( 0.000 0.000 0.008) 0.008 14.995 ( 0.000 0.000 10.161) 10.161 15.589 ( 0.000 0.000 1.268) 1.268 15.628 ( 0.000 0.000 1.993) 1.993 15.633 ( 0.000 0.000 -1.863) 1.863 16.148 ( 0.000 0.000 -0.254) 0.254 16.158 ( 0.000 0.000 -0.611) 0.611 16.204 ( 0.000 0.000 -1.360) 1.360 16.482 ( 0.000 0.000 -4.151) 4.151 17.539 ( 0.000 0.000 2.209) 2.209 17.558 ( 0.000 0.000 -0.566) 0.566 17.601 ( 0.000 0.000 -1.100) 1.100 17.621 ( 0.000 0.000 0.121) 0.121 17.636 ( 0.000 0.000 -1.904) 1.904 17.644 ( 0.000 0.000 2.487) 2.487 17.678 ( 0.000 0.000 2.040) 2.040 17.749 ( 0.000 0.000 0.597) 0.597 17.940 ( 0.000 0.000 5.014) 5.014 17.945 ( 0.000 0.000 -2.240) 2.240 17.947 ( 0.000 0.000 -1.130) 1.130 18.039 ( 0.000 0.000 2.725) 2.725 18.040 ( 0.000 0.000 0.409) 0.409 18.072 ( 0.000 0.000 -2.930) 2.930 18.148 ( 0.000 0.000 -5.969) 5.969 18.207 ( 0.000 0.000 4.153) 4.153 18.210 ( 0.000 0.000 8.244) 8.244 18.488 ( 0.000 0.000 -1.318) 1.318 18.511 ( 0.000 0.000 11.623) 11.623 18.528 ( 0.000 0.000 5.045) 5.045 18.679 ( 0.000 0.000 3.615) 3.615 18.812 ( 0.000 0.000 4.310) 4.310 18.943 ( 0.000 0.000 -1.986) 1.986 18.999 ( 0.000 0.000 -2.985) 2.985 19.367 ( 0.000 0.000 -1.130) 1.130 19.436 ( 0.000 0.000 -1.636) 1.636 19.521 ( 0.000 0.000 1.443) 1.443 19.536 ( 0.000 0.000 -4.306) 4.306 19.564 ( 0.000 0.000 -2.382) 2.382 19.574 ( 0.000 0.000 1.911) 1.911 19.682 ( 0.000 0.000 2.323) 2.323 19.914 ( 0.000 0.000 0.574) 0.574 19.942 ( 0.000 0.000 -6.933) 6.933 19.972 ( 0.000 0.000 -0.349) 0.349 20.079 ( 0.000 0.000 0.804) 0.804 20.235 ( 0.000 0.000 -1.077) 1.077 29.645 ( 0.000 0.000 2.308) 2.308 29.775 ( 0.000 0.000 1.074) 1.074 29.835 ( 0.000 0.000 1.418) 1.418 29.855 ( 0.000 0.000 -2.412) 2.412 29.904 ( 0.000 0.000 -1.810) 1.810 29.926 ( 0.000 0.000 -2.534) 2.534 29.991 ( 0.000 0.000 -1.921) 1.921 30.014 ( 0.000 0.000 -0.934) 0.934 30.662 ( 0.000 0.000 -0.125) 0.125 30.663 ( 0.000 0.000 0.442) 0.442 30.676 ( 0.000 0.000 -0.186) 0.186 30.700 ( 0.000 0.000 -0.199) 0.199 31.534 ( 0.000 0.000 2.944) 2.944 31.537 ( 0.000 0.000 3.642) 3.642 31.659 ( 0.000 0.000 2.790) 2.790 31.675 ( 0.000 0.000 8.930) 8.930 31.737 ( 0.000 0.000 -0.794) 0.794 31.906 ( 0.000 0.000 1.910) 1.910 32.016 ( 0.000 0.000 3.193) 3.193 32.023 ( 0.000 0.000 6.702) 6.702 32.063 ( 0.000 0.000 -1.902) 1.902 32.142 ( 0.000 0.000 9.270) 9.270 32.305 ( 0.000 0.000 1.026) 1.026 32.645 ( 0.000 0.000 -6.538) 6.538 32.804 ( 0.000 0.000 -4.138) 4.138 33.063 ( 0.000 0.000 -6.701) 6.701 33.215 ( 0.000 0.000 -3.679) 3.679 33.278 ( 0.000 0.000 -9.679) 9.679 33.450 ( 0.000 0.000 10.244) 10.244 33.554 ( 0.000 0.000 2.733) 2.733 34.033 ( 0.000 0.000 -3.142) 3.142 34.082 ( 0.000 0.000 -7.035) 7.035 34.265 ( 0.000 0.000 2.475) 2.475 34.271 ( 0.000 0.000 1.226) 1.226 34.482 ( 0.000 0.000 6.422) 6.422 34.876 ( 0.000 0.000 -1.123) 1.123 35.258 ( 0.000 0.000 2.487) 2.487 35.298 ( 0.000 0.000 -0.003) 0.003 35.350 ( 0.000 0.000 -0.254) 0.254 35.674 ( 0.000 0.000 -5.663) 5.663 35.876 ( 0.000 0.000 5.727) 5.727 36.017 ( 0.000 0.000 -5.816) 5.816 36.376 ( 0.000 0.000 10.593) 10.593 36.450 ( 0.000 0.000 -7.065) 7.065 36.539 ( 0.000 0.000 -7.414) 7.414 37.028 ( 0.000 0.000 -4.290) 4.290 37.178 ( 0.000 0.000 7.597) 7.597 38.230 ( 0.000 0.000 -10.857) 10.857 ======================= Grid point 36 (14/48) ======================= q-point: ( 0.25 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.941 ( 24.515 0.000 23.376) 33.873 1.012 ( 26.209 0.000 20.780) 33.447 1.745 ( 16.587 0.000 4.450) 17.174 1.840 ( 37.129 0.000 39.253) 54.031 2.111 ( -19.847 0.000 7.608) 21.255 2.123 ( -0.094 0.000 11.016) 11.016 2.133 ( -8.684 0.000 -8.631) 12.244 2.182 ( 4.022 0.000 4.822) 6.279 2.236 ( 2.810 0.000 3.691) 4.639 2.454 ( 5.696 0.000 0.889) 5.765 2.542 ( -11.672 0.000 -5.190) 12.775 2.679 ( -5.725 0.000 3.682) 6.807 2.682 ( 3.058 0.000 0.659) 3.129 2.874 ( 3.469 0.000 -7.375) 8.150 2.973 ( -3.401 0.000 -2.743) 4.370 3.056 ( 0.785 0.000 1.286) 1.507 3.153 ( -8.099 0.000 1.350) 8.211 3.191 ( 3.189 0.000 0.403) 3.215 3.198 ( -0.330 0.000 -3.405) 3.421 3.301 ( 3.259 0.000 -7.961) 8.602 3.422 ( 3.170 0.000 0.526) 3.213 3.458 ( 6.182 0.000 3.428) 7.069 3.520 ( 0.814 0.000 2.393) 2.527 3.567 ( -10.477 0.000 14.899) 18.214 3.739 ( 0.608 0.000 -12.894) 12.909 3.825 ( 8.172 0.000 2.577) 8.569 3.929 ( -3.386 0.000 3.159) 4.631 3.994 ( 5.793 0.000 -6.869) 8.986 4.055 ( 8.806 0.000 3.870) 9.619 4.081 ( 7.409 0.000 2.286) 7.753 4.139 ( -5.296 0.000 0.820) 5.359 4.197 ( -25.824 0.000 6.282) 26.577 4.251 ( 5.445 0.000 4.997) 7.390 4.314 ( -4.857 0.000 -1.739) 5.159 4.448 ( -0.566 0.000 5.763) 5.791 4.486 ( -1.619 0.000 1.364) 2.117 4.571 ( 0.941 0.000 -1.426) 1.708 4.632 ( 7.063 0.000 -1.600) 7.242 4.674 ( -6.360 0.000 2.758) 6.932 4.692 ( 1.022 0.000 1.531) 1.841 4.697 ( -3.385 0.000 6.484) 7.314 4.794 ( -0.302 0.000 4.855) 4.864 4.959 ( -14.315 0.000 2.678) 14.564 5.086 ( 0.960 0.000 -1.680) 1.935 5.125 ( -6.485 0.000 1.629) 6.687 5.130 ( -0.345 0.000 -5.061) 5.073 5.183 ( -2.067 0.000 -7.182) 7.474 5.199 ( 1.894 0.000 0.815) 2.062 5.244 ( -2.436 0.000 -4.783) 5.368 5.273 ( -1.151 0.000 -1.431) 1.836 5.361 ( -2.269 0.000 -1.371) 2.651 5.374 ( 8.183 0.000 -0.735) 8.216 5.421 ( -2.559 0.000 2.182) 3.363 5.573 ( 1.775 0.000 3.461) 3.890 5.580 ( 4.403 0.000 -3.823) 5.831 5.634 ( 5.207 0.000 -4.753) 7.050 5.635 ( -3.107 0.000 -2.797) 4.181 5.711 ( 8.260 0.000 1.695) 8.432 5.796 ( -5.677 0.000 10.011) 11.509 5.906 ( -7.614 0.000 3.873) 8.542 6.002 ( -1.518 0.000 0.234) 1.536 6.087 ( -1.746 0.000 6.688) 6.912 6.183 ( 1.968 0.000 0.367) 2.002 6.187 ( 2.084 0.000 0.319) 2.108 6.244 ( -1.437 0.000 4.045) 4.292 6.329 ( -2.605 0.000 -2.102) 3.348 6.531 ( 5.124 0.000 -3.155) 6.018 6.551 ( 0.390 0.000 -2.427) 2.458 6.669 ( -3.375 0.000 2.446) 4.168 6.713 ( -5.254 0.000 -2.922) 6.012 7.325 ( 6.590 0.000 -16.709) 17.962 7.638 ( -6.002 0.000 -4.249) 7.354 8.454 ( 0.587 0.000 4.660) 4.697 8.512 ( -1.929 0.000 5.187) 5.534 8.658 ( 0.808 0.000 -6.080) 6.134 8.740 ( -2.256 0.000 -4.957) 5.446 8.846 ( 2.194 0.000 3.467) 4.103 8.937 ( -0.214 0.000 6.681) 6.685 9.074 ( 0.903 0.000 5.381) 5.456 9.137 ( -1.871 0.000 3.168) 3.679 9.242 ( 3.845 0.000 -15.216) 15.695 9.282 ( 2.807 0.000 -9.842) 10.234 9.337 ( 0.248 0.000 -6.499) 6.503 9.397 ( -1.604 0.000 -8.835) 8.979 9.406 ( 1.914 0.000 -1.416) 2.381 9.635 ( 5.548 0.000 -1.110) 5.658 9.665 ( -2.960 0.000 -2.131) 3.648 9.708 ( 2.917 0.000 0.448) 2.951 9.785 ( -2.986 0.000 2.204) 3.711 9.836 ( 6.539 0.000 -10.533) 12.398 9.844 ( -1.190 0.000 -2.883) 3.119 9.914 ( 3.021 0.000 -4.141) 5.126 9.967 ( 2.178 0.000 -4.649) 5.133 10.143 ( -5.691 0.000 2.608) 6.260 10.170 ( 14.083 0.000 -7.084) 15.764 10.381 ( 7.049 0.000 -10.247) 12.437 10.407 ( 1.300 0.000 1.131) 1.723 10.448 ( -2.554 0.000 -1.465) 2.944 10.516 ( -0.446 0.000 -2.093) 2.140 10.733 ( 2.732 0.000 13.124) 13.405 10.845 ( -1.982 0.000 -9.854) 10.052 10.870 ( -1.728 0.000 6.268) 6.501 10.882 ( -8.446 0.000 2.513) 8.812 10.978 ( -4.303 0.000 -6.695) 7.958 11.069 ( 2.368 0.000 6.520) 6.936 11.225 ( -4.383 0.000 9.323) 10.302 11.556 ( 0.024 0.000 6.483) 6.483 11.583 ( 0.785 0.000 7.413) 7.455 11.590 ( 1.712 0.000 0.114) 1.715 11.607 ( 1.840 0.000 1.519) 2.386 12.215 ( 1.320 0.000 -1.542) 2.030 12.402 ( -2.769 0.000 -6.306) 6.887 12.875 ( 0.206 0.000 1.218) 1.235 12.898 ( -0.582 0.000 1.647) 1.747 13.019 ( 3.492 0.000 1.968) 4.008 13.102 ( 0.611 0.000 -3.790) 3.839 13.127 ( -0.170 0.000 -4.342) 4.345 13.191 ( -2.790 0.000 -0.045) 2.790 13.247 ( -0.898 0.000 2.210) 2.385 13.252 ( 3.919 0.000 0.440) 3.943 13.258 ( -0.239 0.000 1.472) 1.492 13.401 ( -0.346 0.000 -1.544) 1.582 13.411 ( 1.249 0.000 0.443) 1.325 13.443 ( 5.888 0.000 -9.442) 11.127 13.549 ( -4.202 0.000 2.793) 5.046 13.629 ( -3.954 0.000 -3.581) 5.335 13.681 ( 0.641 0.000 -4.300) 4.348 13.739 ( 0.519 0.000 0.896) 1.036 13.763 ( -0.382 0.000 2.289) 2.320 13.849 ( -3.224 0.000 -11.712) 12.148 13.972 ( -0.660 0.000 -3.890) 3.946 13.986 ( -2.507 0.000 0.179) 2.514 14.002 ( 4.085 0.000 0.108) 4.087 14.141 ( 1.751 0.000 -1.927) 2.604 14.154 ( -2.311 0.000 0.094) 2.313 14.172 ( 1.512 0.000 -1.375) 2.043 15.073 ( 6.206 0.000 8.974) 10.911 15.427 ( -11.982 0.000 13.068) 17.730 15.599 ( 0.866 0.000 0.914) 1.259 15.632 ( -0.250 0.000 -1.207) 1.233 16.130 ( -0.782 0.000 -0.665) 1.026 16.146 ( -1.011 0.000 -0.440) 1.102 16.230 ( 2.683 0.000 -1.702) 3.178 16.428 ( -4.808 0.000 -3.544) 5.973 17.547 ( 0.748 0.000 1.383) 1.572 17.561 ( 0.385 0.000 -0.701) 0.800 17.590 ( -1.039 0.000 -0.976) 1.426 17.600 ( -1.575 0.000 -0.670) 1.712 17.626 ( 0.702 0.000 0.776) 1.046 17.669 ( -0.815 0.000 1.943) 2.107 17.693 ( 2.659 0.000 1.141) 2.894 17.767 ( 0.100 0.000 -0.075) 0.125 17.939 ( 0.420 0.000 -1.054) 1.134 17.944 ( 0.949 0.000 2.854) 3.008 17.964 ( 0.168 0.000 -1.080) 1.093 18.054 ( 0.837 0.000 -1.828) 2.011 18.070 ( 3.098 0.000 1.635) 3.503 18.097 ( -3.816 0.000 -0.208) 3.822 18.119 ( 1.515 0.000 -1.677) 2.260 18.200 ( -1.309 0.000 2.791) 3.082 18.235 ( 4.122 0.000 8.545) 9.487 18.456 ( -4.190 0.000 10.925) 11.701 18.538 ( 4.792 0.000 0.139) 4.794 18.569 ( 2.778 0.000 7.264) 7.777 18.677 ( -1.320 0.000 5.040) 5.210 18.771 ( -3.847 0.000 3.736) 5.362 18.955 ( 1.020 0.000 -1.810) 2.078 18.994 ( -0.474 0.000 -2.484) 2.529 19.385 ( 1.863 0.000 -1.110) 2.168 19.387 ( 0.301 0.000 0.397) 0.498 19.500 ( -2.024 0.000 0.789) 2.172 19.508 ( -2.762 0.000 -1.679) 3.232 19.544 ( 0.805 0.000 -3.242) 3.341 19.637 ( -3.460 0.000 0.883) 3.571 19.733 ( 6.517 0.000 -8.827) 10.972 19.906 ( -2.153 0.000 -4.327) 4.833 19.973 ( 3.572 0.000 -1.807) 4.003 20.002 ( 2.283 0.000 0.209) 2.293 20.072 ( -0.782 0.000 0.773) 1.100 20.149 ( -5.301 0.000 2.213) 5.745 29.688 ( 3.023 0.000 -0.342) 3.042 29.778 ( 0.321 0.000 1.012) 1.062 29.810 ( -1.289 0.000 0.575) 1.411 29.834 ( -3.975 0.000 -1.732) 4.336 29.891 ( 2.286 0.000 -1.493) 2.730 29.976 ( -1.381 0.000 -1.849) 2.308 29.977 ( 2.206 0.000 -2.042) 3.006 30.014 ( -0.028 0.000 -1.065) 1.065 30.662 ( -0.019 0.000 -0.051) 0.054 30.663 ( -0.055 0.000 0.351) 0.355 30.680 ( 0.314 0.000 -0.204) 0.375 30.695 ( -0.329 0.000 -0.222) 0.397 31.502 ( -0.530 0.000 5.487) 5.513 31.534 ( -0.833 0.000 4.448) 4.525 31.687 ( 2.245 0.000 1.851) 2.910 31.739 ( -0.001 0.000 -0.668) 0.668 31.790 ( 7.987 0.000 7.655) 11.063 31.910 ( 0.673 0.000 2.976) 3.051 31.992 ( -2.227 0.000 5.893) 6.300 32.019 ( -0.145 0.000 4.505) 4.507 32.109 ( -1.917 0.000 9.447) 9.639 32.142 ( 7.066 0.000 -1.285) 7.182 32.291 ( -7.085 0.000 8.070) 10.738 32.551 ( -2.414 0.000 1.618) 2.906 32.647 ( -13.424 0.000 -2.118) 13.590 32.839 ( -12.608 0.000 -3.641) 13.123 33.172 ( 2.262 0.000 -7.013) 7.369 33.380 ( -0.790 0.000 -7.966) 8.005 33.420 ( -0.993 0.000 8.831) 8.887 33.583 ( 6.069 0.000 1.122) 6.172 33.591 ( -13.900 0.000 10.382) 17.349 33.926 ( -7.674 0.000 -1.944) 7.916 34.246 ( 4.447 0.000 2.879) 5.298 34.423 ( 11.696 0.000 -0.306) 11.700 34.477 ( -4.025 0.000 8.343) 9.263 34.852 ( -3.839 0.000 -0.668) 3.897 35.212 ( -2.528 0.000 1.417) 2.898 35.217 ( -0.750 0.000 4.324) 4.388 35.273 ( -2.424 0.000 0.287) 2.441 35.391 ( -6.571 0.000 -2.105) 6.900 35.901 ( 6.771 0.000 2.558) 7.238 36.139 ( -2.914 0.000 1.697) 3.372 36.484 ( 2.689 0.000 -5.584) 6.198 36.544 ( 0.185 0.000 -6.406) 6.408 37.048 ( 1.913 0.000 -3.066) 3.614 37.156 ( -2.067 0.000 5.551) 5.923 37.424 ( 37.542 0.000 -34.112) 50.725 38.125 ( -8.726 0.000 -10.037) 13.300 ======================= Grid point 37 (15/48) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.530 ( -30.655 0.000 13.573) 33.525 1.530 ( 30.655 0.000 13.573) 33.525 1.626 ( -30.025 0.000 6.141) 30.647 1.626 ( 30.025 0.000 6.141) 30.647 2.138 ( -19.187 0.000 1.569) 19.251 2.138 ( 19.187 0.000 1.569) 19.251 2.163 ( -2.210 0.000 5.528) 5.953 2.163 ( 2.210 0.000 5.528) 5.953 2.434 ( -7.640 0.000 2.287) 7.974 2.434 ( 7.640 0.000 2.287) 7.974 2.634 ( -23.529 0.000 19.580) 30.610 2.634 ( 23.529 0.000 19.580) 30.610 2.786 ( -12.855 0.000 2.341) 13.067 2.786 ( 12.855 0.000 2.341) 13.067 3.017 ( -9.924 0.000 -0.438) 9.933 3.017 ( 9.924 0.000 -0.438) 9.933 3.127 ( -4.352 0.000 -2.258) 4.903 3.127 ( 4.352 0.000 -2.258) 4.903 3.238 ( -13.002 0.000 -3.945) 13.587 3.238 ( 13.002 0.000 -3.945) 13.587 3.502 ( -11.702 0.000 1.641) 11.817 3.502 ( 11.702 0.000 1.641) 11.817 3.547 ( -1.489 0.000 7.132) 7.286 3.547 ( 1.489 0.000 7.132) 7.286 3.660 ( -6.159 0.000 -9.266) 11.127 3.660 ( 6.159 0.000 -9.266) 11.127 3.984 ( -7.551 0.000 -4.878) 8.990 3.984 ( 7.551 0.000 -4.878) 8.990 4.031 ( -9.046 0.000 6.478) 11.126 4.031 ( 9.046 0.000 6.478) 11.126 4.162 ( -6.694 0.000 -1.833) 6.940 4.162 ( 6.694 0.000 -1.833) 6.940 4.380 ( -8.147 0.000 0.981) 8.205 4.380 ( 8.147 0.000 0.981) 8.205 4.464 ( -11.320 0.000 1.757) 11.455 4.464 ( 11.320 0.000 1.757) 11.455 4.592 ( -5.031 0.000 4.216) 6.563 4.592 ( 5.031 0.000 4.216) 6.563 4.621 ( -9.354 0.000 5.085) 10.647 4.621 ( 9.354 0.000 5.085) 10.647 4.709 ( -3.811 0.000 -1.672) 4.161 4.709 ( 3.811 0.000 -1.672) 4.161 4.925 ( -11.837 0.000 1.841) 11.979 4.925 ( 11.837 0.000 1.841) 11.979 5.143 ( -4.682 0.000 -3.481) 5.834 5.143 ( 4.682 0.000 -3.481) 5.834 5.163 ( -1.070 0.000 -5.515) 5.618 5.163 ( 1.070 0.000 -5.515) 5.618 5.284 ( -5.027 0.000 -5.254) 7.272 5.284 ( 5.027 0.000 -5.254) 7.272 5.306 ( -5.937 0.000 0.301) 5.944 5.306 ( 5.937 0.000 0.301) 5.944 5.557 ( -6.141 0.000 2.579) 6.661 5.557 ( 6.141 0.000 2.579) 6.661 5.643 ( -6.436 0.000 6.708) 9.296 5.643 ( 6.436 0.000 6.708) 9.296 5.727 ( -7.159 0.000 1.162) 7.253 5.727 ( 7.159 0.000 1.162) 7.253 5.779 ( -5.613 0.000 -2.381) 6.097 5.779 ( 5.613 0.000 -2.381) 6.097 6.005 ( -3.691 0.000 3.734) 5.251 6.005 ( 3.691 0.000 3.734) 5.251 6.217 ( -1.209 0.000 2.674) 2.935 6.217 ( 1.209 0.000 2.674) 2.935 6.259 ( -4.009 0.000 -1.855) 4.418 6.259 ( 4.009 0.000 -1.855) 4.418 6.590 ( -3.476 0.000 0.219) 3.483 6.590 ( 3.476 0.000 0.219) 3.483 6.621 ( -3.723 0.000 -2.256) 4.353 6.621 ( 3.723 0.000 -2.256) 4.353 7.484 ( -8.228 0.000 -9.968) 12.925 7.484 ( 8.228 0.000 -9.968) 12.925 8.475 ( -1.455 0.000 5.179) 5.379 8.475 ( 1.455 0.000 5.179) 5.379 8.691 ( -2.235 0.000 -5.354) 5.801 8.691 ( 2.235 0.000 -5.354) 5.801 8.903 ( -2.690 0.000 5.241) 5.891 8.903 ( 2.690 0.000 5.241) 5.891 9.100 ( -1.550 0.000 3.470) 3.800 9.100 ( 1.550 0.000 3.470) 3.800 9.300 ( -1.325 0.000 -12.310) 12.381 9.300 ( 1.325 0.000 -12.310) 12.381 9.359 ( -1.732 0.000 -8.036) 8.221 9.359 ( 1.732 0.000 -8.036) 8.221 9.515 ( -7.929 0.000 -1.141) 8.011 9.515 ( 7.929 0.000 -1.141) 8.011 9.722 ( -3.421 0.000 2.055) 3.991 9.722 ( 3.421 0.000 2.055) 3.991 9.811 ( -3.329 0.000 1.088) 3.502 9.811 ( 3.329 0.000 1.088) 3.502 9.934 ( -1.921 0.000 -9.257) 9.454 9.934 ( 1.921 0.000 -9.257) 9.454 10.024 ( -4.479 0.000 -4.735) 6.517 10.024 ( 4.479 0.000 -4.735) 6.517 10.346 ( -6.191 0.000 -1.404) 6.348 10.346 ( 6.191 0.000 -1.404) 6.348 10.466 ( -3.552 0.000 1.190) 3.746 10.466 ( 3.552 0.000 1.190) 3.746 10.610 ( -12.535 0.000 -7.979) 14.859 10.610 ( 12.535 0.000 -7.979) 14.859 10.810 ( -3.907 0.000 9.118) 9.919 10.810 ( 3.907 0.000 9.118) 9.919 10.902 ( -3.211 0.000 -6.516) 7.264 10.902 ( 3.211 0.000 -6.516) 7.264 11.135 ( -3.973 0.000 8.123) 9.042 11.135 ( 3.973 0.000 8.123) 9.042 11.578 ( -1.578 0.000 6.783) 6.964 11.578 ( 1.578 0.000 6.783) 6.964 11.620 ( -0.674 0.000 0.895) 1.120 11.620 ( 0.674 0.000 0.895) 1.120 12.295 ( -5.848 0.000 -1.370) 6.007 12.295 ( 5.848 0.000 -1.370) 6.007 12.884 ( -0.666 0.000 1.718) 1.843 12.884 ( 0.666 0.000 1.718) 1.843 13.107 ( -4.687 0.000 0.891) 4.771 13.107 ( 4.687 0.000 0.891) 4.771 13.123 ( -0.795 0.000 -5.016) 5.079 13.123 ( 0.795 0.000 -5.016) 5.079 13.247 ( -0.639 0.000 1.772) 1.884 13.247 ( 0.639 0.000 1.772) 1.884 13.351 ( -4.552 0.000 0.232) 4.558 13.351 ( 4.552 0.000 0.232) 4.558 13.462 ( -3.669 0.000 1.512) 3.968 13.462 ( 3.669 0.000 1.512) 3.968 13.543 ( -4.169 0.000 -7.818) 8.859 13.543 ( 4.169 0.000 -7.818) 8.859 13.747 ( -5.161 0.000 -7.235) 8.887 13.747 ( 5.161 0.000 -7.235) 8.887 13.751 ( -0.655 0.000 1.393) 1.539 13.751 ( 0.655 0.000 1.393) 1.539 13.963 ( -0.039 0.000 -3.267) 3.267 13.963 ( 0.039 0.000 -3.267) 3.267 14.089 ( -3.889 0.000 0.181) 3.893 14.089 ( 3.889 0.000 0.181) 3.893 14.171 ( -1.177 0.000 -1.327) 1.774 14.171 ( 1.177 0.000 -1.327) 1.774 15.222 ( -8.328 0.000 11.495) 14.194 15.222 ( 8.328 0.000 11.495) 14.194 15.619 ( -0.931 0.000 0.008) 0.931 15.619 ( 0.931 0.000 0.008) 0.931 16.127 ( -0.549 0.000 -0.605) 0.817 16.127 ( 0.549 0.000 -0.605) 0.817 16.315 ( -5.353 0.000 -2.512) 5.913 16.315 ( 5.353 0.000 -2.512) 5.913 17.567 ( -1.109 0.000 -0.042) 1.110 17.567 ( 1.109 0.000 -0.042) 1.110 17.574 ( -0.945 0.000 -0.927) 1.324 17.574 ( 0.945 0.000 -0.927) 1.324 17.647 ( -1.200 0.000 1.540) 1.953 17.647 ( 1.200 0.000 1.540) 1.953 17.743 ( -2.069 0.000 1.073) 2.330 17.743 ( 2.069 0.000 1.073) 2.330 17.955 ( -0.847 0.000 -0.649) 1.067 17.955 ( 0.847 0.000 -0.649) 1.067 17.994 ( -3.797 0.000 1.110) 3.956 17.994 ( 3.797 0.000 1.110) 3.956 18.106 ( -1.948 0.000 -1.329) 2.358 18.106 ( 1.948 0.000 -1.329) 2.358 18.146 ( -3.643 0.000 1.259) 3.855 18.146 ( 3.643 0.000 1.259) 3.855 18.350 ( -5.894 0.000 9.611) 11.274 18.350 ( 5.894 0.000 9.611) 11.274 18.629 ( -2.923 0.000 7.268) 7.834 18.629 ( 2.923 0.000 7.268) 7.834 18.662 ( -6.365 0.000 2.373) 6.793 18.662 ( 6.365 0.000 2.373) 6.793 18.978 ( -1.046 0.000 -1.886) 2.157 18.978 ( 1.046 0.000 -1.886) 2.157 19.438 ( -3.644 0.000 -1.893) 4.106 19.438 ( 3.644 0.000 -1.893) 4.106 19.441 ( -3.293 0.000 -0.393) 3.316 19.441 ( 3.293 0.000 -0.393) 3.316 19.574 ( -2.273 0.000 -1.322) 2.630 19.574 ( 2.273 0.000 -1.322) 2.630 19.839 ( -4.179 0.000 -7.048) 8.194 19.839 ( 4.179 0.000 -7.048) 8.194 20.046 ( -1.764 0.000 0.642) 1.877 20.046 ( 1.764 0.000 0.642) 1.877 20.054 ( -4.148 0.000 0.818) 4.228 20.054 ( 4.148 0.000 0.818) 4.228 29.756 ( -3.560 0.000 -1.194) 3.755 29.756 ( 3.560 0.000 -1.194) 3.755 29.789 ( -0.776 0.000 0.838) 1.142 29.789 ( 0.776 0.000 0.838) 1.142 29.938 ( -2.208 0.000 -1.672) 2.770 29.938 ( 2.208 0.000 -1.672) 2.770 30.007 ( -0.778 0.000 -1.515) 1.703 30.007 ( 0.778 0.000 -1.515) 1.703 30.662 ( -0.010 0.000 0.142) 0.142 30.662 ( 0.010 0.000 0.142) 0.142 30.688 ( -0.413 0.000 -0.239) 0.477 30.688 ( 0.413 0.000 -0.239) 0.477 31.512 ( -1.087 0.000 5.189) 5.302 31.512 ( 1.087 0.000 5.189) 5.302 31.727 ( -1.303 0.000 0.036) 1.304 31.727 ( 1.303 0.000 0.036) 1.304 31.942 ( -2.295 0.000 5.038) 5.536 31.942 ( 2.295 0.000 5.038) 5.536 31.953 ( -6.935 0.000 12.815) 14.571 31.953 ( 6.935 0.000 12.815) 14.571 32.121 ( -4.311 0.000 5.792) 7.220 32.121 ( 4.311 0.000 5.792) 7.220 32.354 ( -13.298 0.000 -1.290) 13.360 32.354 ( 13.298 0.000 -1.290) 13.360 32.646 ( -7.790 0.000 -5.785) 9.703 32.646 ( 7.790 0.000 -5.785) 9.703 33.276 ( -6.565 0.000 -7.022) 9.613 33.276 ( 6.565 0.000 -7.022) 9.613 33.447 ( -3.524 0.000 6.264) 7.188 33.447 ( 3.524 0.000 6.264) 7.188 33.755 ( -8.817 0.000 -1.803) 8.999 33.755 ( 8.817 0.000 -1.803) 8.999 34.363 ( -6.272 0.000 5.471) 8.323 34.363 ( 6.272 0.000 5.471) 8.323 34.680 ( -11.913 0.000 -0.629) 11.929 34.680 ( 11.913 0.000 -0.629) 11.929 35.215 ( -2.446 0.000 0.632) 2.527 35.215 ( 2.446 0.000 0.632) 2.527 35.273 ( -4.788 0.000 0.099) 4.789 35.273 ( 4.788 0.000 0.099) 4.789 36.042 ( -6.205 0.000 2.102) 6.551 36.042 ( 6.205 0.000 2.102) 6.551 36.532 ( -1.553 0.000 -4.840) 5.083 36.532 ( 1.553 0.000 -4.840) 5.083 37.101 ( -2.947 0.000 0.843) 3.066 37.101 ( 2.947 0.000 0.843) 3.066 37.895 ( -14.332 0.000 -17.324) 22.483 37.895 ( 14.332 0.000 -17.324) 22.483 ======================= Grid point 40 (16/48) ======================= q-point: ( 0.00 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.021 ( 0.000 23.488 26.068) 35.089 1.077 ( 0.000 22.411 25.931) 34.273 1.740 ( 0.000 38.957 31.384) 50.026 1.768 ( 0.000 18.718 5.920) 19.632 2.002 ( 0.000 -5.561 -0.709) 5.606 2.137 ( 0.000 1.472 2.283) 2.717 2.167 ( 0.000 2.527 2.187) 3.342 2.230 ( 0.000 5.988 -5.792) 8.331 2.424 ( 0.000 11.428 6.328) 13.063 2.462 ( 0.000 1.232 5.007) 5.157 2.628 ( 0.000 -2.213 0.835) 2.365 2.678 ( 0.000 -3.923 -7.025) 8.046 2.842 ( 0.000 0.022 -7.530) 7.530 2.890 ( 0.000 5.994 -0.353) 6.004 2.946 ( 0.000 1.889 -0.661) 2.001 3.029 ( 0.000 -4.242 -2.278) 4.815 3.198 ( 0.000 4.131 -0.954) 4.240 3.201 ( 0.000 -3.644 -8.847) 9.568 3.262 ( 0.000 -1.108 12.958) 13.005 3.329 ( 0.000 2.952 10.789) 11.186 3.391 ( 0.000 10.304 -2.769) 10.670 3.430 ( 0.000 0.943 3.385) 3.514 3.603 ( 0.000 3.823 3.324) 5.066 3.611 ( 0.000 11.340 0.450) 11.349 3.734 ( 0.000 3.722 -8.370) 9.160 3.888 ( 0.000 8.061 -0.513) 8.077 3.906 ( 0.000 -3.368 3.028) 4.530 3.982 ( 0.000 0.706 0.222) 0.740 4.009 ( 0.000 4.144 6.789) 7.953 4.055 ( 0.000 0.520 -1.480) 1.568 4.243 ( 0.000 4.213 -3.996) 5.807 4.267 ( 0.000 -7.711 0.573) 7.732 4.297 ( 0.000 -1.826 2.345) 2.972 4.307 ( 0.000 4.195 8.340) 9.336 4.499 ( 0.000 -5.534 -2.523) 6.083 4.518 ( 0.000 0.151 1.645) 1.652 4.569 ( 0.000 6.266 4.241) 7.566 4.668 ( 0.000 -2.693 2.528) 3.694 4.668 ( 0.000 -2.819 -0.709) 2.907 4.760 ( 0.000 -3.676 2.732) 4.580 4.764 ( 0.000 7.629 3.687) 8.473 4.798 ( 0.000 -1.284 4.971) 5.134 4.873 ( 0.000 -9.343 -5.377) 10.780 5.010 ( 0.000 -12.320 1.660) 12.431 5.066 ( 0.000 -5.383 0.067) 5.383 5.084 ( 0.000 -7.895 0.346) 7.902 5.122 ( 0.000 -9.110 -1.508) 9.234 5.153 ( 0.000 -1.494 2.720) 3.103 5.224 ( 0.000 1.295 -2.372) 2.702 5.247 ( 0.000 -1.921 0.488) 1.982 5.357 ( 0.000 1.468 -1.178) 1.882 5.396 ( 0.000 3.104 -3.364) 4.578 5.420 ( 0.000 -2.759 -1.611) 3.195 5.500 ( 0.000 -0.296 4.700) 4.709 5.507 ( 0.000 -2.302 4.666) 5.203 5.612 ( 0.000 -5.976 -0.534) 5.999 5.618 ( 0.000 1.323 -6.397) 6.532 5.793 ( 0.000 -2.634 8.948) 9.327 5.814 ( 0.000 10.271 -10.203) 14.477 5.914 ( 0.000 -9.569 -0.248) 9.573 5.976 ( 0.000 -2.081 7.610) 7.890 6.028 ( 0.000 -4.551 4.846) 6.648 6.120 ( 0.000 -5.714 1.094) 5.818 6.174 ( 0.000 2.063 -2.211) 3.023 6.304 ( 0.000 -2.759 7.014) 7.537 6.321 ( 0.000 -1.237 5.524) 5.661 6.455 ( 0.000 3.015 -6.641) 7.293 6.700 ( 0.000 -4.370 -5.971) 7.399 6.711 ( 0.000 3.237 0.533) 3.281 6.798 ( 0.000 11.173 -3.985) 11.862 7.098 ( 0.000 -10.277 -11.846) 15.683 7.515 ( 0.000 -15.603 -1.936) 15.723 8.594 ( 0.000 10.991 1.784) 11.135 8.627 ( 0.000 4.298 -4.030) 5.892 8.728 ( 0.000 5.926 -3.935) 7.114 8.811 ( 0.000 2.493 5.079) 5.658 8.876 ( 0.000 6.692 -0.704) 6.729 8.879 ( 0.000 -0.777 3.982) 4.057 9.077 ( 0.000 1.255 7.061) 7.171 9.083 ( 0.000 -8.123 -7.206) 10.858 9.186 ( 0.000 1.304 5.195) 5.356 9.203 ( 0.000 -1.134 -14.025) 14.070 9.303 ( 0.000 0.154 -1.009) 1.021 9.384 ( 0.000 -2.253 -7.810) 8.129 9.460 ( 0.000 -1.806 -1.466) 2.326 9.553 ( 0.000 3.379 -6.082) 6.957 9.557 ( 0.000 -4.440 -2.591) 5.141 9.619 ( 0.000 -6.719 -2.717) 7.247 9.760 ( 0.000 0.995 -4.821) 4.923 9.820 ( 0.000 -1.249 -0.562) 1.370 9.885 ( 0.000 -0.507 -2.106) 2.167 9.895 ( 0.000 2.696 -0.585) 2.758 9.938 ( 0.000 2.263 -2.009) 3.026 10.014 ( 0.000 6.547 -5.041) 8.262 10.143 ( 0.000 -4.801 6.379) 7.984 10.344 ( 0.000 4.213 -2.314) 4.806 10.440 ( 0.000 2.598 1.295) 2.903 10.523 ( 0.000 7.018 -3.195) 7.711 10.710 ( 0.000 1.537 10.401) 10.514 10.733 ( 0.000 -8.715 6.992) 11.173 10.873 ( 0.000 14.337 -5.428) 15.330 10.899 ( 0.000 4.815 -1.531) 5.053 10.960 ( 0.000 0.091 -7.211) 7.212 11.067 ( 0.000 -1.613 -1.829) 2.439 11.095 ( 0.000 3.959 4.981) 6.363 11.319 ( 0.000 2.677 9.296) 9.674 11.438 ( 0.000 -4.697 9.857) 10.919 11.522 ( 0.000 -4.836 -0.410) 4.854 11.607 ( 0.000 -0.220 2.495) 2.505 11.611 ( 0.000 -0.300 -0.870) 0.920 12.196 ( 0.000 -2.723 0.095) 2.725 12.575 ( 0.000 1.380 -26.090) 26.127 12.858 ( 0.000 -1.126 -0.252) 1.154 12.889 ( 0.000 -1.443 0.659) 1.586 13.035 ( 0.000 1.149 0.883) 1.449 13.084 ( 0.000 -1.635 -3.732) 4.074 13.101 ( 0.000 -2.692 -2.684) 3.802 13.183 ( 0.000 -2.865 -0.735) 2.958 13.248 ( 0.000 -0.646 0.887) 1.097 13.249 ( 0.000 -1.683 1.242) 2.092 13.290 ( 0.000 2.633 -0.865) 2.772 13.305 ( 0.000 -1.290 -0.318) 1.329 13.424 ( 0.000 5.835 -6.288) 8.579 13.489 ( 0.000 4.884 -5.890) 7.652 13.575 ( 0.000 -4.570 -0.057) 4.570 13.599 ( 0.000 0.404 -2.882) 2.910 13.718 ( 0.000 -2.097 1.338) 2.487 13.732 ( 0.000 0.692 -1.871) 1.995 13.773 ( 0.000 -1.076 -1.110) 1.546 13.866 ( 0.000 2.525 -5.514) 6.065 13.965 ( 0.000 -0.727 -4.039) 4.104 13.995 ( 0.000 2.248 -1.983) 2.997 14.034 ( 0.000 -1.277 4.063) 4.259 14.078 ( 0.000 -0.264 -2.313) 2.328 14.158 ( 0.000 1.444 -3.023) 3.350 14.221 ( 0.000 2.479 -3.983) 4.691 15.016 ( 0.000 1.949 9.766) 9.958 15.367 ( 0.000 -14.684 12.172) 19.073 15.628 ( 0.000 1.053 0.909) 1.391 15.630 ( 0.000 -0.220 -1.809) 1.822 16.042 ( 0.000 -3.688 -2.555) 4.487 16.121 ( 0.000 -3.330 -0.577) 3.380 16.294 ( 0.000 3.206 -3.529) 4.768 16.464 ( 0.000 -1.747 -4.260) 4.605 17.504 ( 0.000 -1.720 0.330) 1.752 17.577 ( 0.000 -0.359 2.619) 2.643 17.584 ( 0.000 -1.535 -1.079) 1.876 17.619 ( 0.000 -1.693 -0.893) 1.914 17.639 ( 0.000 1.147 0.908) 1.463 17.672 ( 0.000 3.446 -2.603) 4.319 17.674 ( 0.000 -0.050 1.169) 1.170 17.767 ( 0.000 1.255 0.727) 1.451 17.902 ( 0.000 -1.502 1.025) 1.818 17.942 ( 0.000 -0.535 -0.043) 0.537 17.972 ( 0.000 0.408 2.736) 2.766 18.022 ( 0.000 -0.539 1.952) 2.025 18.084 ( 0.000 1.329 -4.361) 4.559 18.086 ( 0.000 2.940 0.115) 2.942 18.124 ( 0.000 -2.267 -2.608) 3.456 18.208 ( 0.000 1.024 6.688) 6.766 18.212 ( 0.000 0.288 3.830) 3.840 18.436 ( 0.000 -3.115 1.476) 3.447 18.512 ( 0.000 1.083 12.092) 12.140 18.593 ( 0.000 4.335 1.741) 4.671 18.668 ( 0.000 -0.843 5.622) 5.685 18.837 ( 0.000 2.377 3.604) 4.318 18.951 ( 0.000 -1.250 -2.155) 2.491 19.010 ( 0.000 0.798 -0.204) 0.823 19.380 ( 0.000 1.301 -1.286) 1.829 19.400 ( 0.000 -2.071 1.191) 2.389 19.511 ( 0.000 -0.944 0.908) 1.310 19.532 ( 0.000 -0.825 -3.057) 3.166 19.564 ( 0.000 0.459 -0.705) 0.841 19.568 ( 0.000 0.380 -2.362) 2.392 19.675 ( 0.000 -0.681 1.744) 1.872 19.887 ( 0.000 -4.208 -5.825) 7.186 19.914 ( 0.000 0.024 0.448) 0.449 20.012 ( 0.000 2.888 0.107) 2.890 20.058 ( 0.000 -1.664 2.046) 2.637 20.133 ( 0.000 -3.873 6.335) 7.425 29.641 ( 0.000 -0.276 2.329) 2.346 29.779 ( 0.000 0.473 0.859) 0.981 29.794 ( 0.000 -3.779 1.409) 4.033 29.853 ( 0.000 -0.284 -2.188) 2.207 29.913 ( 0.000 0.931 -1.988) 2.195 29.921 ( 0.000 -0.572 -1.792) 1.881 29.974 ( 0.000 -1.581 -1.769) 2.372 30.011 ( 0.000 -0.194 -1.224) 1.239 30.653 ( 0.000 -0.258 0.240) 0.353 30.684 ( 0.000 0.187 -0.498) 0.532 30.706 ( 0.000 2.207 -0.641) 2.298 30.736 ( 0.000 3.183 -1.834) 3.673 31.583 ( 0.000 4.460 3.050) 5.403 31.584 ( 0.000 2.076 7.793) 8.065 31.597 ( 0.000 0.256 8.690) 8.694 31.676 ( 0.000 1.710 3.734) 4.107 31.820 ( 0.000 0.507 6.485) 6.505 31.890 ( 0.000 -1.644 2.580) 3.059 32.004 ( 0.000 -1.314 6.162) 6.301 32.031 ( 0.000 6.534 6.206) 9.011 32.064 ( 0.000 7.011 -1.329) 7.135 32.320 ( 0.000 7.741 0.660) 7.769 32.344 ( 0.000 3.596 -0.008) 3.596 32.669 ( 0.000 2.098 -7.013) 7.320 32.804 ( 0.000 0.609 -4.358) 4.401 33.033 ( 0.000 -2.035 -3.503) 4.051 33.189 ( 0.000 -3.829 0.959) 3.948 33.246 ( 0.000 -13.827 14.362) 19.936 33.262 ( 0.000 -2.045 -9.076) 9.304 33.446 ( 0.000 -0.122 3.725) 3.727 33.669 ( 0.000 -9.702 3.429) 10.291 33.949 ( 0.000 -8.439 -3.854) 9.278 34.256 ( 0.000 3.825 4.579) 5.966 34.474 ( 0.000 -0.919 7.751) 7.805 34.950 ( 0.000 7.333 -1.212) 7.433 35.004 ( 0.000 17.354 -13.469) 21.967 35.243 ( 0.000 -2.895 1.303) 3.175 35.273 ( 0.000 1.882 1.626) 2.488 35.419 ( 0.000 3.767 -1.056) 3.913 35.677 ( 0.000 -2.488 -7.474) 7.878 36.016 ( 0.000 10.711 -15.030) 18.456 36.027 ( 0.000 1.317 -6.974) 7.097 36.404 ( 0.000 3.030 10.136) 10.579 36.431 ( 0.000 -1.842 -7.608) 7.827 36.493 ( 0.000 -4.484 -7.900) 9.084 37.053 ( 0.000 2.699 -4.306) 5.082 37.112 ( 0.000 -6.650 7.364) 9.922 37.996 ( 0.000 -17.655 -3.179) 17.939 ======================= Grid point 41 (17/48) ======================= q-point: ( 0.25 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.144 ( 19.976 13.668 17.004) 29.581 1.404 ( 15.331 32.686 12.921) 38.345 1.853 ( 13.479 13.706 10.378) 21.846 2.022 ( 7.648 7.084 14.725) 18.042 2.141 ( 12.337 1.428 4.813) 13.319 2.163 ( 0.505 1.836 1.691) 2.547 2.218 ( -7.761 9.390 -3.093) 12.569 2.234 ( 9.962 8.093 8.538) 15.416 2.309 ( -6.492 10.314 11.208) 16.558 2.513 ( -5.912 -0.566 -3.090) 6.695 2.540 ( 8.688 10.784 6.238) 15.188 2.634 ( -2.776 -1.453 3.426) 4.643 2.744 ( -2.068 1.153 0.686) 2.465 2.908 ( 2.061 1.441 -2.499) 3.545 2.982 ( 1.110 3.202 -5.762) 6.685 3.078 ( 0.680 1.801 2.596) 3.231 3.146 ( 0.615 0.682 -5.399) 5.477 3.218 ( -1.540 -1.499 4.376) 4.875 3.236 ( 1.458 7.071 -3.429) 7.993 3.377 ( 1.013 0.597 1.621) 2.003 3.433 ( 5.857 -0.185 4.462) 7.365 3.475 ( -3.439 5.712 3.596) 7.576 3.532 ( -1.296 1.447 -0.094) 1.944 3.596 ( -9.835 5.993 7.679) 13.842 3.757 ( 0.704 6.124 -12.223) 13.689 3.847 ( 4.821 0.601 -0.920) 4.945 3.933 ( -1.636 -5.926 -2.373) 6.590 3.955 ( 2.381 2.305 -0.593) 3.367 4.047 ( 4.433 -0.222 2.760) 5.227 4.144 ( 0.012 3.980 5.430) 6.733 4.186 ( -5.170 -6.001 2.916) 8.441 4.198 ( -4.034 2.341 -1.453) 4.885 4.291 ( -12.219 7.784 6.833) 16.018 4.319 ( -7.032 -4.161 2.194) 8.461 4.376 ( 4.945 -0.028 -1.768) 5.252 4.516 ( -5.059 -0.550 3.251) 6.039 4.539 ( 0.299 -1.556 -2.910) 3.313 4.569 ( 1.834 -1.425 3.870) 4.513 4.632 ( -2.347 1.497 0.836) 2.907 4.692 ( -5.400 -6.990 3.774) 9.606 4.769 ( 2.003 2.030 1.354) 3.157 4.827 ( 2.511 6.582 0.451) 7.059 4.950 ( -6.305 -2.002 -2.730) 7.156 4.999 ( 6.312 -8.035 -4.018) 10.979 5.066 ( 1.713 -4.521 -0.993) 4.936 5.113 ( -1.036 -2.256 4.015) 4.721 5.159 ( 1.788 -0.755 0.141) 1.946 5.171 ( 3.078 -7.044 -2.989) 8.248 5.206 ( 3.731 -6.115 1.513) 7.321 5.268 ( 1.317 3.671 2.619) 4.698 5.309 ( -2.169 -2.121 -2.265) 3.786 5.345 ( -2.871 -0.724 0.115) 2.964 5.475 ( 1.023 5.424 -0.653) 5.558 5.488 ( 2.087 -4.029 1.416) 4.754 5.571 ( -1.261 -7.273 -1.722) 7.580 5.624 ( 1.679 -1.171 0.362) 2.079 5.655 ( 4.985 -2.683 -1.093) 5.766 5.733 ( -5.948 4.916 -2.261) 8.041 5.774 ( -2.527 0.660 3.240) 4.162 5.904 ( -5.452 -0.805 1.434) 5.695 5.924 ( 0.034 -6.664 2.283) 7.044 6.032 ( -0.685 -4.621 3.773) 6.005 6.104 ( 0.270 -4.356 0.700) 4.421 6.195 ( -4.199 -3.475 1.860) 5.759 6.261 ( -0.303 1.581 2.322) 2.825 6.304 ( -0.022 -4.752 5.296) 7.115 6.482 ( 1.783 0.683 -5.305) 5.638 6.591 ( -5.386 -4.305 -4.171) 8.059 6.728 ( 0.537 8.483 -2.699) 8.918 6.814 ( -0.812 10.048 0.580) 10.098 7.157 ( 5.882 -13.383 -10.377) 17.927 7.453 ( -5.639 -15.391 -3.272) 16.715 8.594 ( -0.195 7.782 1.190) 7.874 8.622 ( -0.302 9.343 -1.015) 9.403 8.700 ( -1.098 1.936 -2.688) 3.490 8.784 ( -2.391 4.460 0.890) 5.138 8.881 ( 1.605 4.432 0.523) 4.743 8.912 ( 1.345 0.390 4.217) 4.444 9.079 ( 0.419 -2.617 0.567) 2.710 9.107 ( 0.639 -4.151 -3.075) 5.205 9.142 ( -0.255 -1.325 1.315) 1.884 9.236 ( -1.221 -2.073 -3.947) 4.623 9.352 ( 5.142 1.060 -4.956) 7.220 9.434 ( 3.920 1.768 -7.120) 8.318 9.520 ( -0.514 3.797 -7.744) 8.640 9.598 ( 4.132 -2.782 -2.297) 5.486 9.627 ( 3.493 -7.295 -4.324) 9.171 9.646 ( 3.920 -2.336 -3.307) 5.636 9.739 ( -0.710 -3.453 -3.066) 4.672 9.789 ( -2.544 -0.698 -2.244) 3.463 9.837 ( -1.079 -0.436 0.014) 1.164 9.898 ( 0.099 0.123 -1.257) 1.267 10.019 ( 1.071 1.115 -7.078) 7.245 10.077 ( 4.102 1.001 -1.698) 4.551 10.159 ( 4.770 -2.868 1.389) 5.737 10.359 ( -0.878 2.501 0.183) 2.657 10.402 ( 1.925 3.185 -4.618) 5.931 10.577 ( 2.462 8.099 0.073) 8.465 10.665 ( -4.005 3.141 6.052) 7.908 10.709 ( -3.106 -6.074 5.893) 9.015 10.880 ( -0.729 6.634 0.241) 6.678 10.911 ( 2.306 7.081 -4.196) 8.548 10.933 ( -1.854 3.589 -6.720) 7.841 11.029 ( -1.904 3.273 -0.139) 3.789 11.125 ( 1.616 4.156 3.735) 5.817 11.262 ( -4.461 2.714 9.358) 10.717 11.464 ( 1.461 -5.644 7.728) 9.681 11.491 ( -2.119 -6.051 2.517) 6.888 11.609 ( 1.804 0.309 -0.182) 1.839 11.655 ( 2.465 0.732 2.338) 3.475 12.196 ( 1.087 -2.916 -0.399) 3.137 12.481 ( -8.808 0.863 -14.615) 17.086 12.860 ( 0.392 -1.182 1.020) 1.609 12.889 ( -0.631 -1.154 0.927) 1.609 13.023 ( 0.306 -1.042 2.831) 3.032 13.094 ( 0.989 -1.027 -3.611) 3.882 13.113 ( 1.276 -0.196 -4.393) 4.579 13.154 ( -2.371 -2.570 0.100) 3.498 13.209 ( -1.743 -0.848 1.161) 2.259 13.233 ( -1.181 -1.844 0.636) 2.280 13.275 ( 2.613 0.133 0.290) 2.633 13.377 ( 1.552 -4.150 -1.108) 4.567 13.444 ( 2.228 2.759 -5.029) 6.154 13.475 ( -0.373 3.798 -1.340) 4.045 13.550 ( -1.977 -2.031 -2.543) 3.808 13.576 ( -3.187 1.232 1.722) 3.827 13.641 ( -0.721 -2.565 -4.290) 5.051 13.741 ( -1.560 -1.693 -1.204) 2.598 13.799 ( 0.679 1.780 -2.060) 2.805 13.861 ( -1.271 2.570 -7.256) 7.802 13.961 ( -0.396 -0.820 -3.272) 3.397 13.977 ( -1.919 -0.105 -0.154) 1.928 14.054 ( 3.883 2.814 -2.558) 5.435 14.138 ( 2.432 -1.119 0.649) 2.755 14.151 ( -0.641 0.557 -2.409) 2.554 14.207 ( -1.298 2.411 -2.793) 3.911 15.076 ( 4.847 0.405 9.160) 10.371 15.303 ( -5.145 -8.737 12.934) 16.434 15.618 ( 0.026 0.775 -0.310) 0.835 15.638 ( -0.107 0.076 -0.746) 0.758 16.044 ( 0.611 -4.473 -1.404) 4.728 16.103 ( -1.517 -3.539 -0.447) 3.876 16.292 ( 0.538 2.982 -3.145) 4.368 16.419 ( -3.911 -0.947 -3.858) 5.574 17.508 ( 0.398 -2.480 0.419) 2.546 17.549 ( -1.670 -2.742 1.209) 3.430 17.569 ( -1.017 -1.027 -0.602) 1.565 17.599 ( -1.706 0.668 -1.141) 2.158 17.632 ( 0.020 -0.159 1.362) 1.371 17.656 ( -0.206 -0.544 1.617) 1.718 17.708 ( 2.648 1.755 0.522) 3.219 17.788 ( 0.056 1.765 -0.063) 1.767 17.909 ( 1.075 -1.252 1.664) 2.344 17.951 ( 0.668 0.399 0.393) 0.872 17.990 ( 1.346 -0.646 0.261) 1.515 18.035 ( 0.634 0.778 -0.140) 1.013 18.075 ( -2.491 -1.592 0.484) 2.996 18.093 ( -0.135 1.096 -1.507) 1.868 18.117 ( 1.982 0.218 -1.287) 2.373 18.204 ( -1.114 0.713 1.966) 2.369 18.257 ( 4.296 1.478 6.812) 8.188 18.457 ( -2.706 -0.321 8.547) 8.971 18.504 ( 3.584 -1.001 5.800) 6.891 18.627 ( 2.456 3.217 2.896) 4.977 18.655 ( -1.212 -0.868 6.527) 6.695 18.799 ( -3.394 2.244 2.565) 4.810 18.957 ( 0.472 -0.688 -0.470) 0.958 18.994 ( -1.113 -0.078 -0.398) 1.184 19.386 ( 0.939 0.330 -0.676) 1.203 19.397 ( 1.509 0.963 -0.971) 2.036 19.491 ( -2.036 -0.835 -0.105) 2.203 19.511 ( -1.933 0.115 -1.172) 2.263 19.553 ( 0.573 0.964 -3.454) 3.632 19.631 ( -2.133 -0.515 -0.591) 2.273 19.692 ( 5.449 -3.177 -5.226) 8.192 19.863 ( -2.310 -4.303 -5.849) 7.619 19.967 ( 3.861 0.215 0.766) 3.943 20.026 ( 1.051 1.930 0.618) 2.282 20.060 ( 0.176 -0.838 1.737) 1.936 20.114 ( -1.700 -1.691 4.115) 4.763 29.671 ( 2.388 -1.264 1.076) 2.909 29.773 ( -1.724 -3.101 0.779) 3.633 29.784 ( 0.481 0.599 0.731) 1.060 29.849 ( -3.030 0.954 -1.158) 3.381 29.878 ( 1.891 -1.150 -1.579) 2.719 29.957 ( -1.288 -1.790 -1.736) 2.807 29.975 ( 2.044 -0.097 -1.950) 2.827 30.012 ( -0.032 -0.195 -1.402) 1.416 30.654 ( 0.178 -0.170 0.277) 0.371 30.674 ( -0.752 0.335 -0.024) 0.824 30.710 ( 0.366 2.274 -0.654) 2.394 30.730 ( -0.449 2.913 -1.275) 3.211 31.548 ( -0.452 3.843 7.633) 8.558 31.581 ( -0.927 4.324 6.524) 7.881 31.656 ( 3.496 -0.775 4.236) 5.547 31.734 ( 4.071 1.365 3.811) 5.741 31.795 ( -1.415 -1.257 6.193) 6.476 31.898 ( -0.464 -3.310 5.610) 6.530 31.998 ( 0.372 1.384 4.680) 4.895 32.040 ( 0.244 2.704 6.066) 6.646 32.088 ( 2.384 7.805 -0.449) 8.173 32.238 ( -3.866 4.567 2.081) 6.335 32.458 ( 5.989 6.543 -1.748) 9.041 32.608 ( -4.033 5.552 -1.538) 7.032 32.710 ( -8.902 6.579 -1.445) 11.163 32.855 ( -9.953 2.777 -3.728) 10.985 33.163 ( 0.787 -1.921 -2.178) 3.009 33.241 ( -0.949 -9.465 2.935) 9.955 33.338 ( 2.546 -5.438 1.496) 6.188 33.508 ( 0.720 -2.360 -0.792) 2.591 33.607 ( 1.213 -3.095 0.976) 3.464 33.940 ( -4.816 -4.673 -4.090) 7.859 34.275 ( 2.805 2.540 4.351) 5.766 34.446 ( -2.109 -0.928 7.151) 7.513 34.759 ( -12.382 23.848 -4.288) 27.211 34.915 ( -4.410 6.316 -1.039) 7.773 35.186 ( -2.643 -0.751 3.518) 4.464 35.230 ( -2.386 -1.862 0.990) 3.185 35.280 ( -0.167 3.559 1.788) 3.986 35.463 ( -6.495 4.985 -3.004) 8.721 35.922 ( 6.301 2.624 0.751) 6.867 36.150 ( -2.747 1.288 0.622) 3.097 36.457 ( 2.127 -2.818 -6.217) 7.149 36.503 ( 0.543 -3.987 -6.680) 7.798 37.029 ( 4.793 -3.084 -4.706) 7.392 37.095 ( -0.341 -5.823 4.509) 7.373 37.259 ( 31.278 -11.793 -20.339) 39.129 37.928 ( -6.508 -16.370 -5.898) 18.577 ======================= Grid point 42 (18/48) ======================= q-point: (-0.50 0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( -9.394 11.400 9.113) 17.356 1.576 ( 9.394 11.400 9.113) 17.356 1.918 ( -2.419 19.822 3.459) 20.266 1.918 ( 2.419 19.822 3.459) 20.266 2.150 ( -10.628 2.839 1.489) 11.101 2.150 ( 10.628 2.839 1.489) 11.101 2.229 ( -3.211 4.165 10.475) 11.721 2.229 ( 3.211 4.165 10.475) 11.721 2.453 ( -4.445 2.441 1.626) 5.326 2.453 ( 4.445 2.441 1.626) 5.326 2.697 ( -12.164 1.160 3.887) 12.822 2.697 ( 12.164 1.160 3.887) 12.822 2.880 ( -14.719 9.095 11.420) 20.731 2.880 ( 14.719 9.095 11.420) 20.731 3.037 ( -2.187 2.583 -0.302) 3.398 3.037 ( 2.187 2.583 -0.302) 3.398 3.191 ( -8.788 5.733 2.120) 10.705 3.191 ( 8.788 5.733 2.120) 10.705 3.282 ( -7.466 6.482 -5.219) 11.180 3.282 ( 7.466 6.482 -5.219) 11.180 3.415 ( -6.406 -7.446 3.016) 10.275 3.415 ( 6.406 -7.446 3.016) 10.275 3.586 ( -11.827 5.775 2.803) 13.457 3.586 ( 11.827 5.775 2.803) 13.457 3.684 ( -14.247 2.507 -1.370) 14.531 3.684 ( 14.247 2.507 -1.370) 14.531 3.983 ( -6.022 -1.048 -1.953) 6.417 3.983 ( 6.022 -1.048 -1.953) 6.417 4.062 ( -3.941 -2.811 -2.283) 5.352 4.062 ( 3.941 -2.811 -2.283) 5.352 4.127 ( -6.321 2.053 3.078) 7.324 4.127 ( 6.321 2.053 3.078) 7.324 4.351 ( -5.604 -8.506 1.800) 10.344 4.351 ( 5.604 -8.506 1.800) 10.344 4.399 ( -0.739 5.727 -1.598) 5.992 4.399 ( 0.739 5.727 -1.598) 5.992 4.530 ( -1.955 -6.998 2.281) 7.616 4.530 ( 1.955 -6.998 2.281) 7.616 4.622 ( -2.989 1.844 1.527) 3.830 4.622 ( 2.989 1.844 1.527) 3.830 4.852 ( -1.870 1.910 -3.884) 4.715 4.852 ( 1.870 1.910 -3.884) 4.715 4.932 ( -9.171 3.340 3.493) 10.367 4.932 ( 9.171 3.340 3.493) 10.367 5.112 ( -1.380 -1.697 -4.427) 4.938 5.112 ( 1.380 -1.697 -4.427) 4.938 5.182 ( -3.168 -2.527 0.600) 4.097 5.182 ( 3.168 -2.527 0.600) 4.097 5.264 ( -5.560 1.753 -0.338) 5.839 5.264 ( 5.560 1.753 -0.338) 5.839 5.376 ( -6.906 4.218 -0.133) 8.093 5.376 ( 6.906 4.218 -0.133) 8.093 5.458 ( -9.519 -8.541 1.620) 12.891 5.458 ( 9.519 -8.541 1.620) 12.891 5.572 ( -5.738 -2.086 3.533) 7.054 5.572 ( 5.738 -2.086 3.533) 7.054 5.728 ( -2.252 -2.295 -4.326) 5.390 5.728 ( 2.252 -2.295 -4.326) 5.390 5.770 ( -6.989 -0.706 0.673) 7.057 5.770 ( 6.989 -0.706 0.673) 7.057 5.966 ( -5.002 -3.740 5.789) 8.516 5.966 ( 5.002 -3.740 5.789) 8.516 6.108 ( -0.632 -6.627 0.183) 6.659 6.108 ( 0.632 -6.627 0.183) 6.659 6.293 ( -1.467 -1.405 3.879) 4.378 6.293 ( 1.467 -1.405 3.879) 4.378 6.518 ( -1.933 -2.559 -5.566) 6.423 6.518 ( 1.933 -2.559 -5.566) 6.423 6.767 ( -2.855 10.049 0.068) 10.447 6.767 ( 2.855 10.049 0.068) 10.447 7.308 ( -7.870 -14.721 -6.460) 17.899 7.308 ( 7.870 -14.721 -6.460) 17.899 8.600 ( -1.023 8.045 1.038) 8.176 8.600 ( 1.023 8.045 1.038) 8.176 8.726 ( -2.776 3.518 -1.933) 4.880 8.726 ( 2.776 3.518 -1.933) 4.880 8.915 ( -1.058 2.397 2.845) 3.868 8.915 ( 1.058 2.397 2.845) 3.868 9.093 ( -0.920 -2.611 -0.761) 2.871 9.093 ( 0.920 -2.611 -0.761) 2.871 9.185 ( -3.000 -3.601 -1.598) 4.952 9.185 ( 3.000 -3.601 -1.598) 4.952 9.467 ( -4.341 3.341 -8.666) 10.252 9.467 ( 4.341 3.341 -8.666) 10.252 9.532 ( -5.644 2.291 -3.730) 7.142 9.532 ( 5.644 2.291 -3.730) 7.142 9.690 ( -3.385 -3.342 -0.506) 4.783 9.690 ( 3.385 -3.342 -0.506) 4.783 9.768 ( -1.710 -7.054 -5.853) 9.324 9.768 ( 1.710 -7.054 -5.853) 9.324 9.854 ( -3.082 -0.364 2.409) 3.929 9.854 ( 3.082 -0.364 2.409) 3.929 10.059 ( -2.504 1.380 -7.550) 8.073 10.059 ( 2.504 1.380 -7.550) 8.073 10.300 ( -4.860 -2.664 -0.248) 5.548 10.300 ( 4.860 -2.664 -0.248) 5.548 10.529 ( -7.842 5.357 -2.972) 9.952 10.529 ( 7.842 5.357 -2.972) 9.952 10.631 ( -2.949 2.841 3.911) 5.663 10.631 ( 2.949 2.841 3.911) 5.663 10.885 ( -1.538 1.898 -0.441) 2.482 10.885 ( 1.538 1.898 -0.441) 2.482 10.981 ( -3.069 9.546 -4.288) 10.906 10.981 ( 3.069 9.546 -4.288) 10.906 11.174 ( -3.496 2.994 7.717) 8.985 11.174 ( 3.496 2.994 7.717) 8.985 11.475 ( -0.435 -6.811 6.000) 9.088 11.475 ( 0.435 -6.811 6.000) 9.088 11.661 ( -2.039 0.916 0.960) 2.433 11.661 ( 2.039 0.916 0.960) 2.433 12.288 ( -8.004 -2.323 -3.236) 8.941 12.288 ( 8.004 -2.323 -3.236) 8.941 12.872 ( -0.737 -1.076 1.553) 2.028 12.872 ( 0.737 -1.076 1.553) 2.028 13.071 ( -3.256 -3.672 0.451) 4.928 13.071 ( 3.256 -3.672 0.451) 4.928 13.129 ( -0.425 0.880 -3.738) 3.863 13.129 ( 0.425 0.880 -3.738) 3.863 13.207 ( -1.079 -2.420 0.801) 2.768 13.207 ( 1.079 -2.420 0.801) 2.768 13.347 ( -3.606 -2.212 -0.546) 4.265 13.347 ( 3.606 -2.212 -0.546) 4.265 13.500 ( -2.611 3.382 0.953) 4.378 13.500 ( 2.611 3.382 0.953) 4.378 13.508 ( -2.915 -0.855 -4.519) 5.445 13.508 ( 2.915 -0.855 -4.519) 5.445 13.678 ( -3.505 -3.652 -3.890) 6.384 13.678 ( 3.505 -3.652 -3.890) 6.384 13.823 ( -1.779 3.620 -2.892) 4.963 13.823 ( 1.779 3.620 -2.892) 4.963 13.957 ( -0.344 -0.408 -3.149) 3.194 13.957 ( 0.344 -0.408 -3.149) 3.194 14.127 ( -2.281 2.009 -1.901) 3.585 14.127 ( 2.281 2.009 -1.901) 3.585 14.172 ( -1.724 0.525 -0.747) 1.950 14.172 ( 1.724 0.525 -0.747) 1.950 15.188 ( -5.749 -2.731 11.090) 12.787 15.188 ( 5.749 -2.731 11.090) 12.787 15.628 ( -0.699 0.196 -0.447) 0.852 15.628 ( 0.699 0.196 -0.447) 0.852 16.069 ( -1.610 -4.274 -0.664) 4.616 16.069 ( 1.610 -4.274 -0.664) 4.616 16.334 ( -3.553 1.077 -3.291) 4.962 16.334 ( 3.553 1.077 -3.291) 4.962 17.521 ( -0.957 -3.826 0.463) 3.971 17.521 ( 0.957 -3.826 0.463) 3.971 17.568 ( -0.889 -0.122 -0.703) 1.139 17.568 ( 0.889 -0.122 -0.703) 1.139 17.646 ( -0.745 -0.473 1.811) 2.014 17.646 ( 0.745 -0.473 1.811) 2.014 17.761 ( -2.232 1.863 0.742) 3.001 17.761 ( 2.232 1.863 0.742) 3.001 17.946 ( -1.714 -0.872 1.312) 2.328 17.946 ( 1.714 -0.872 1.312) 2.328 18.010 ( -1.259 1.012 -1.007) 1.904 18.010 ( 1.259 1.012 -1.007) 1.904 18.080 ( -1.572 -1.081 -0.384) 1.946 18.080 ( 1.572 -1.081 -0.384) 1.946 18.163 ( -2.429 0.869 -0.043) 2.580 18.163 ( 2.429 0.869 -0.043) 2.580 18.365 ( -5.418 1.124 8.425) 10.080 18.365 ( 5.418 1.124 8.425) 10.080 18.593 ( -3.816 -1.846 7.737) 8.823 18.593 ( 3.816 -1.846 7.737) 8.823 18.711 ( -4.573 3.153 2.023) 5.912 18.711 ( 4.573 3.153 2.023) 5.912 18.972 ( -0.980 -0.695 -0.487) 1.296 18.972 ( 0.980 -0.695 -0.487) 1.296 19.426 ( -1.606 -0.411 -1.870) 2.500 19.426 ( 1.606 -0.411 -1.870) 2.500 19.460 ( -1.883 1.057 -0.716) 2.274 19.460 ( 1.883 1.057 -0.716) 2.274 19.581 ( -2.051 0.607 -1.846) 2.825 19.581 ( 2.051 0.607 -1.846) 2.825 19.795 ( -4.217 -4.185 -6.454) 8.772 19.795 ( 4.217 -4.185 -6.454) 8.772 20.029 ( -1.524 0.124 2.024) 2.536 20.029 ( 1.524 0.124 2.024) 2.536 20.074 ( -1.641 0.593 0.940) 1.982 20.074 ( 1.641 0.593 0.940) 1.982 29.726 ( -2.743 -2.325 0.240) 3.604 29.726 ( 2.743 -2.325 0.240) 3.604 29.802 ( -1.422 0.984 0.243) 1.746 29.802 ( 1.422 0.984 0.243) 1.746 29.921 ( -2.082 -1.613 -1.541) 3.051 29.921 ( 2.082 -1.613 -1.541) 3.051 30.005 ( -0.820 -0.238 -1.749) 1.947 30.005 ( 0.820 -0.238 -1.749) 1.947 30.661 ( -0.465 0.101 0.296) 0.560 30.661 ( 0.465 0.101 0.296) 0.560 30.720 ( -0.526 2.518 -0.811) 2.697 30.720 ( 0.526 2.518 -0.811) 2.697 31.558 ( -1.099 4.182 7.164) 8.368 31.558 ( 1.099 4.182 7.164) 8.368 31.725 ( -3.009 0.599 3.280) 4.491 31.725 ( 3.009 0.599 3.280) 4.491 31.848 ( -4.048 -3.215 7.326) 8.966 31.848 ( 4.048 -3.215 7.326) 8.966 32.026 ( -1.559 0.942 4.644) 4.988 32.026 ( 1.559 0.942 4.644) 4.988 32.157 ( -4.011 5.558 2.097) 7.167 32.157 ( 4.011 5.558 2.097) 7.167 32.530 ( -3.953 10.651 0.452) 11.370 32.530 ( 3.953 10.651 0.452) 11.370 32.681 ( -7.244 5.950 -5.542) 10.890 32.681 ( 7.244 5.950 -5.542) 10.890 33.206 ( -2.393 -5.656 -0.355) 6.152 33.206 ( 2.393 -5.656 -0.355) 6.152 33.411 ( -5.195 -3.747 0.041) 6.405 33.411 ( 5.195 -3.747 0.041) 6.405 33.770 ( -9.681 -0.363 -2.988) 10.139 33.770 ( 9.681 -0.363 -2.988) 10.139 34.365 ( -5.153 -0.072 6.015) 7.920 34.365 ( 5.153 -0.072 6.015) 7.920 34.765 ( -7.983 8.613 -1.490) 11.838 34.765 ( 7.983 8.613 -1.490) 11.838 35.183 ( -1.740 -1.432 1.524) 2.720 35.183 ( 1.740 -1.432 1.524) 2.720 35.344 ( -5.080 5.141 -0.503) 7.245 35.344 ( 5.080 5.141 -0.503) 7.245 36.057 ( -5.974 1.739 0.948) 6.294 36.057 ( 5.974 1.739 0.948) 6.294 36.497 ( -1.300 -3.558 -5.147) 6.390 36.497 ( 1.300 -3.558 -5.147) 6.390 37.071 ( -1.554 -2.864 0.440) 3.288 37.071 ( 1.554 -2.864 0.440) 3.288 37.721 ( -14.445 -15.600 -13.594) 25.235 37.721 ( 14.445 -15.600 -13.594) 25.235 ======================= Grid point 45 (19/48) ======================= q-point: ( 0.00 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.455 ( 0.000 18.651 25.610) 31.682 1.458 ( 0.000 18.430 15.747) 24.241 1.896 ( 0.000 -2.948 6.464) 7.105 2.077 ( 0.000 7.489 3.482) 8.259 2.171 ( 0.000 0.870 0.898) 1.250 2.197 ( 0.000 3.792 5.165) 6.408 2.290 ( 0.000 7.473 -3.394) 8.208 2.438 ( 0.000 16.855 -2.297) 17.011 2.541 ( 0.000 -0.918 1.524) 1.779 2.560 ( 0.000 -0.684 5.156) 5.201 2.722 ( 0.000 9.128 -7.190) 11.620 2.774 ( 0.000 -1.314 -0.097) 1.318 2.929 ( 0.000 24.965 9.620) 26.755 2.939 ( 0.000 0.695 -0.739) 1.014 3.030 ( 0.000 7.942 -1.845) 8.154 3.083 ( 0.000 6.685 -6.792) 9.530 3.132 ( 0.000 -0.022 -1.368) 1.368 3.279 ( 0.000 -0.513 5.440) 5.464 3.311 ( 0.000 4.508 11.881) 12.708 3.344 ( 0.000 3.058 7.709) 8.294 3.456 ( 0.000 9.822 2.821) 10.219 3.607 ( 0.000 7.106 -9.119) 11.561 3.647 ( 0.000 -3.019 -0.529) 3.065 3.772 ( 0.000 -8.530 -3.463) 9.206 3.795 ( 0.000 -0.057 1.628) 1.629 3.896 ( 0.000 -4.224 2.732) 5.031 3.940 ( 0.000 7.577 -5.824) 9.557 3.991 ( 0.000 -4.497 -4.625) 6.451 4.024 ( 0.000 5.272 3.738) 6.463 4.024 ( 0.000 8.645 1.579) 8.788 4.177 ( 0.000 4.520 9.468) 10.492 4.287 ( 0.000 0.222 10.571) 10.574 4.379 ( 0.000 -4.026 8.498) 9.404 4.397 ( 0.000 6.032 -7.774) 9.839 4.398 ( 0.000 2.919 -4.106) 5.038 4.494 ( 0.000 -5.960 0.543) 5.985 4.526 ( 0.000 -10.059 4.220) 10.908 4.579 ( 0.000 -3.888 -2.417) 4.578 4.612 ( 0.000 -4.906 -0.646) 4.948 4.693 ( 0.000 -7.869 -2.493) 8.254 4.736 ( 0.000 3.755 -0.599) 3.803 4.765 ( 0.000 -6.227 -3.971) 7.385 4.841 ( 0.000 -1.189 -0.884) 1.482 4.905 ( 0.000 -4.794 -0.798) 4.860 4.960 ( 0.000 1.873 -5.216) 5.542 5.017 ( 0.000 9.544 3.114) 10.039 5.036 ( 0.000 0.014 4.658) 4.658 5.171 ( 0.000 0.676 4.313) 4.366 5.221 ( 0.000 -3.919 2.113) 4.452 5.250 ( 0.000 -10.966 6.224) 12.609 5.278 ( 0.000 -11.637 0.930) 11.674 5.311 ( 0.000 5.338 3.641) 6.461 5.337 ( 0.000 -6.330 -0.643) 6.363 5.501 ( 0.000 2.934 0.077) 2.935 5.557 ( 0.000 2.712 0.716) 2.805 5.568 ( 0.000 -5.539 -9.187) 10.728 5.652 ( 0.000 0.834 1.264) 1.514 5.696 ( 0.000 -0.789 -1.088) 1.344 5.759 ( 0.000 -2.239 4.861) 5.352 5.860 ( 0.000 -9.231 1.609) 9.371 5.963 ( 0.000 -3.983 9.827) 10.604 6.000 ( 0.000 4.815 -3.307) 5.842 6.012 ( 0.000 -0.407 -4.906) 4.923 6.088 ( 0.000 -9.270 2.900) 9.713 6.224 ( 0.000 3.901 6.421) 7.513 6.366 ( 0.000 0.228 4.283) 4.290 6.480 ( 0.000 -2.657 -6.223) 6.767 6.516 ( 0.000 -10.416 2.043) 10.614 6.865 ( 0.000 11.003 -3.893) 11.672 6.891 ( 0.000 -0.409 -8.475) 8.485 7.092 ( 0.000 5.842 -3.417) 6.768 7.205 ( 0.000 -14.543 -2.980) 14.845 8.594 ( 0.000 -4.727 0.686) 4.777 8.659 ( 0.000 -4.718 2.148) 5.184 8.859 ( 0.000 6.958 -0.567) 6.981 8.895 ( 0.000 4.556 -2.029) 4.987 8.940 ( 0.000 3.492 -4.545) 5.732 8.953 ( 0.000 -3.466 -4.560) 5.728 9.048 ( 0.000 7.749 0.157) 7.750 9.122 ( 0.000 2.738 3.656) 4.568 9.209 ( 0.000 0.680 3.747) 3.809 9.221 ( 0.000 6.691 1.238) 6.805 9.320 ( 0.000 1.768 -0.525) 1.844 9.326 ( 0.000 -4.248 -0.186) 4.252 9.418 ( 0.000 -2.128 -3.895) 4.438 9.515 ( 0.000 0.908 -3.535) 3.650 9.525 ( 0.000 -3.489 -4.472) 5.672 9.591 ( 0.000 1.575 -1.277) 2.027 9.767 ( 0.000 -0.588 -0.974) 1.138 9.808 ( 0.000 0.711 -7.162) 7.197 9.865 ( 0.000 -1.473 -6.172) 6.345 9.953 ( 0.000 2.362 -6.766) 7.166 9.962 ( 0.000 0.821 -4.989) 5.056 10.003 ( 0.000 -10.768 6.670) 12.666 10.139 ( 0.000 6.516 -4.840) 8.117 10.405 ( 0.000 -0.458 -1.101) 1.192 10.504 ( 0.000 3.419 -1.057) 3.578 10.571 ( 0.000 -1.601 -3.992) 4.301 10.674 ( 0.000 2.403 1.984) 3.117 10.801 ( 0.000 6.858 11.104) 13.051 10.943 ( 0.000 3.885 3.499) 5.228 10.992 ( 0.000 -0.703 3.482) 3.552 11.012 ( 0.000 0.878 -5.332) 5.404 11.059 ( 0.000 3.150 1.478) 3.480 11.214 ( 0.000 6.165 2.369) 6.605 11.330 ( 0.000 -2.383 7.585) 7.951 11.356 ( 0.000 -3.706 7.831) 8.663 11.416 ( 0.000 -4.823 0.230) 4.828 11.598 ( 0.000 -0.363 0.563) 0.670 11.603 ( 0.000 -0.525 -1.418) 1.512 12.151 ( 0.000 -0.988 -0.977) 1.389 12.410 ( 0.000 -13.500 -15.438) 20.508 12.847 ( 0.000 0.278 -0.883) 0.926 12.866 ( 0.000 -0.590 1.189) 1.327 12.982 ( 0.000 -2.764 1.934) 3.373 13.026 ( 0.000 -4.242 -3.099) 5.254 13.124 ( 0.000 2.317 -3.257) 3.997 13.149 ( 0.000 0.264 1.090) 1.122 13.210 ( 0.000 -1.968 -0.231) 1.982 13.215 ( 0.000 -2.219 0.589) 2.296 13.256 ( 0.000 -3.404 -0.646) 3.465 13.268 ( 0.000 -3.451 2.712) 4.389 13.501 ( 0.000 0.931 -1.807) 2.033 13.515 ( 0.000 -1.520 -0.261) 1.542 13.559 ( 0.000 2.714 -3.047) 4.081 13.663 ( 0.000 4.958 -13.040) 13.951 13.666 ( 0.000 -2.868 0.295) 2.883 13.752 ( 0.000 -0.724 -4.964) 5.016 13.790 ( 0.000 4.953 -0.129) 4.955 13.917 ( 0.000 1.979 -2.516) 3.201 13.958 ( 0.000 -0.448 -3.340) 3.370 13.998 ( 0.000 -2.728 -3.946) 4.797 14.029 ( 0.000 1.039 0.680) 1.242 14.062 ( 0.000 -0.411 -1.280) 1.345 14.197 ( 0.000 1.832 -3.289) 3.765 14.238 ( 0.000 -0.500 -5.719) 5.741 15.060 ( 0.000 2.353 9.336) 9.628 15.178 ( 0.000 -5.556 11.224) 12.524 15.629 ( 0.000 0.222 -1.682) 1.697 15.643 ( 0.000 0.244 -0.855) 0.889 16.002 ( 0.000 -0.750 -3.108) 3.197 16.052 ( 0.000 -3.220 -0.866) 3.334 16.338 ( 0.000 1.763 -4.681) 5.003 16.421 ( 0.000 -2.508 -4.563) 5.207 17.491 ( 0.000 0.361 -0.324) 0.485 17.548 ( 0.000 -2.015 -0.907) 2.210 17.559 ( 0.000 -0.651 2.163) 2.259 17.584 ( 0.000 -1.612 0.430) 1.668 17.677 ( 0.000 0.441 -0.109) 0.454 17.684 ( 0.000 2.526 -0.209) 2.535 17.712 ( 0.000 0.776 -2.658) 2.769 17.778 ( 0.000 -0.530 0.516) 0.740 17.894 ( 0.000 0.856 1.016) 1.328 17.932 ( 0.000 -0.432 0.893) 0.992 17.966 ( 0.000 -0.624 2.976) 3.041 18.001 ( 0.000 -1.890 2.680) 3.279 18.095 ( 0.000 -0.194 -1.330) 1.344 18.109 ( 0.000 0.712 -4.779) 4.832 18.143 ( 0.000 2.550 0.574) 2.614 18.209 ( 0.000 -0.724 3.170) 3.252 18.255 ( 0.000 3.526 2.143) 4.126 18.380 ( 0.000 -2.638 1.498) 3.034 18.550 ( 0.000 2.385 11.642) 11.883 18.632 ( 0.000 -1.316 5.972) 6.115 18.699 ( 0.000 4.819 3.627) 6.032 18.894 ( 0.000 -4.221 0.188) 4.225 18.894 ( 0.000 3.215 2.967) 4.375 19.001 ( 0.000 -1.631 2.734) 3.183 19.395 ( 0.000 1.286 -0.399) 1.346 19.415 ( 0.000 2.138 -1.741) 2.758 19.483 ( 0.000 -1.912 -0.216) 1.924 19.507 ( 0.000 -1.706 -2.561) 3.077 19.581 ( 0.000 0.969 -1.915) 2.146 19.589 ( 0.000 1.765 -2.545) 3.097 19.660 ( 0.000 -0.575 -0.051) 0.577 19.783 ( 0.000 -5.686 -5.325) 7.791 19.941 ( 0.000 2.405 1.970) 3.109 20.035 ( 0.000 -1.222 2.186) 2.504 20.063 ( 0.000 2.071 1.165) 2.376 20.094 ( 0.000 -0.773 4.721) 4.784 29.640 ( 0.000 0.322 2.265) 2.288 29.716 ( 0.000 -3.694 1.735) 4.081 29.794 ( 0.000 1.031 0.171) 1.045 29.841 ( 0.000 -0.966 -1.532) 1.811 29.906 ( 0.000 -0.688 -1.366) 1.529 29.924 ( 0.000 -0.880 -2.163) 2.336 29.955 ( 0.000 0.818 -1.531) 1.736 30.004 ( 0.000 -0.663 -1.603) 1.735 30.654 ( 0.000 0.388 0.538) 0.663 30.678 ( 0.000 -0.582 0.280) 0.646 30.751 ( 0.000 2.204 -1.238) 2.528 30.781 ( 0.000 1.247 -2.193) 2.523 31.583 ( 0.000 0.907 10.574) 10.613 31.638 ( 0.000 -0.079 5.751) 5.752 31.680 ( 0.000 3.980 10.208) 10.957 31.755 ( 0.000 6.133 3.966) 7.304 31.846 ( 0.000 -1.995 5.729) 6.067 31.888 ( 0.000 6.179 2.893) 6.823 31.995 ( 0.000 0.391 3.570) 3.592 32.053 ( 0.000 -3.039 3.967) 4.997 32.273 ( 0.000 9.468 0.678) 9.492 32.417 ( 0.000 2.803 -2.575) 3.806 32.484 ( 0.000 9.414 -1.074) 9.475 32.699 ( 0.000 0.134 -6.693) 6.694 32.865 ( 0.000 6.306 -4.377) 7.676 33.012 ( 0.000 -0.139 0.625) 0.640 33.069 ( 0.000 -6.861 5.969) 9.094 33.094 ( 0.000 -5.033 6.616) 8.313 33.257 ( 0.000 2.553 -8.566) 8.938 33.437 ( 0.000 -1.156 -3.235) 3.435 33.513 ( 0.000 -6.090 1.569) 6.289 33.721 ( 0.000 -14.221 -4.847) 15.024 34.333 ( 0.000 3.700 7.630) 8.480 34.445 ( 0.000 -2.035 9.926) 10.132 35.144 ( 0.000 11.813 -1.820) 11.952 35.153 ( 0.000 2.638 0.680) 2.724 35.203 ( 0.000 -1.317 2.296) 2.647 35.336 ( 0.000 4.175 -0.236) 4.182 35.457 ( 0.000 -0.214 -1.007) 1.029 35.572 ( 0.000 -7.912 -4.644) 9.174 36.080 ( 0.000 4.247 -9.173) 10.108 36.167 ( 0.000 4.653 -18.487) 19.064 36.380 ( 0.000 -3.112 -10.088) 10.557 36.383 ( 0.000 -6.042 -9.461) 11.226 36.508 ( 0.000 7.751 9.412) 12.193 36.933 ( 0.000 -11.185 7.219) 13.312 37.146 ( 0.000 7.202 -4.231) 8.353 37.647 ( 0.000 -17.444 -3.281) 17.749 ======================= Grid point 46 (20/48) ======================= q-point: ( 0.25 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 14.106 18.217 11.408) 25.709 1.876 ( 19.287 11.987 11.245) 25.340 2.069 ( 11.589 0.191 11.688) 16.461 2.139 ( 4.238 1.472 3.580) 5.740 2.203 ( 2.764 2.613 -1.619) 4.134 2.224 ( 3.240 14.945 7.016) 16.824 2.309 ( -0.190 6.693 -2.034) 6.997 2.483 ( 0.072 7.311 -0.890) 7.365 2.513 ( 0.350 0.766 5.941) 6.000 2.574 ( 0.649 16.420 2.059) 16.561 2.620 ( -3.970 2.367 0.629) 4.665 2.715 ( -8.063 1.307 -5.189) 9.677 2.905 ( 7.715 -0.165 2.879) 8.236 2.944 ( -2.545 12.144 6.032) 13.797 3.042 ( 4.931 4.718 3.066) 7.482 3.126 ( 2.162 0.987 -1.529) 2.826 3.181 ( -6.265 2.202 1.149) 6.739 3.253 ( 4.586 7.995 -0.430) 9.227 3.320 ( 2.574 1.274 4.628) 5.447 3.373 ( 2.116 -0.879 5.770) 6.208 3.516 ( -0.827 2.404 5.410) 5.978 3.547 ( -3.469 7.366 -1.916) 8.364 3.637 ( -0.413 3.729 -0.741) 3.824 3.695 ( -6.744 4.385 -2.906) 8.553 3.792 ( -0.422 -11.902 2.788) 12.232 3.850 ( -4.048 1.968 -3.380) 5.629 3.888 ( 2.158 -1.083 -3.650) 4.376 3.941 ( 2.626 5.883 -2.791) 7.021 4.059 ( 0.503 0.440 0.386) 0.772 4.106 ( -8.638 1.813 5.448) 10.372 4.193 ( 4.810 -0.487 2.890) 5.632 4.273 ( -3.762 1.488 6.466) 7.628 4.301 ( -4.432 7.415 1.341) 8.742 4.343 ( 1.977 0.938 4.939) 5.402 4.435 ( -7.222 1.557 -0.203) 7.391 4.474 ( -2.350 0.385 1.196) 2.665 4.514 ( 0.902 0.330 -5.807) 5.886 4.535 ( -3.567 -3.953 -0.400) 5.339 4.603 ( 2.783 -3.757 -3.041) 5.577 4.673 ( -1.468 -3.910 -0.662) 4.229 4.795 ( 4.596 1.577 -2.323) 5.386 4.835 ( 3.098 -0.054 1.098) 3.287 4.859 ( -0.468 -3.191 -2.229) 3.921 4.899 ( -1.468 -2.554 -2.446) 3.829 4.970 ( 7.028 -6.327 -3.403) 10.050 5.043 ( 4.016 -4.826 3.403) 7.142 5.083 ( 0.939 -4.514 5.328) 7.046 5.127 ( 0.065 3.991 0.137) 3.994 5.209 ( -0.865 3.809 3.980) 5.577 5.230 ( -1.910 -2.808 4.912) 5.971 5.301 ( -1.487 -10.005 -0.988) 10.163 5.345 ( 3.290 1.098 4.398) 5.601 5.369 ( 2.097 -3.570 0.992) 4.257 5.483 ( -0.987 1.168 0.127) 1.535 5.557 ( 1.054 -4.133 -6.505) 7.779 5.592 ( 3.010 3.285 0.707) 4.512 5.612 ( 0.346 -1.821 -2.420) 3.048 5.691 ( -0.372 -2.937 0.167) 2.965 5.769 ( 0.658 -10.093 6.167) 11.847 5.864 ( -3.127 -1.345 -6.788) 7.594 5.914 ( -5.706 -1.139 6.382) 8.636 5.941 ( -2.784 0.779 1.096) 3.092 6.018 ( -0.525 -1.824 -0.459) 1.953 6.029 ( -6.600 -9.148 4.734) 12.233 6.248 ( 1.948 2.095 5.606) 6.294 6.288 ( -4.213 0.146 5.070) 6.593 6.484 ( -0.659 -2.346 -3.935) 4.628 6.503 ( -1.383 -5.539 -2.391) 6.189 6.901 ( 1.902 6.068 -4.799) 7.967 6.918 ( 4.495 -0.240 -5.062) 6.774 7.050 ( -3.531 6.026 -2.943) 7.579 7.152 ( -4.661 -13.410 -3.170) 14.546 8.590 ( 0.351 -3.812 1.397) 4.075 8.657 ( -1.221 -5.136 4.105) 6.687 8.835 ( -0.016 7.426 -4.089) 8.477 8.883 ( -1.759 3.411 -2.707) 4.697 8.931 ( 0.854 1.118 -1.117) 1.796 8.964 ( -1.127 -0.157 -4.233) 4.383 9.043 ( -0.074 2.790 0.373) 2.815 9.119 ( -3.512 2.720 2.155) 4.937 9.150 ( 2.284 4.802 2.479) 5.867 9.229 ( -1.429 1.929 1.505) 2.833 9.376 ( 4.627 1.167 -1.472) 4.994 9.431 ( 6.905 -2.735 -1.755) 7.631 9.472 ( 2.211 -5.524 -3.045) 6.683 9.507 ( 1.919 -1.063 -5.820) 6.220 9.601 ( 3.518 -0.328 -2.635) 4.408 9.631 ( 3.115 0.861 -1.823) 3.711 9.723 ( -3.090 0.509 -2.616) 4.080 9.765 ( -4.598 -2.106 -5.779) 7.680 9.840 ( -2.199 -0.095 -1.195) 2.504 9.886 ( 0.152 -1.418 -0.570) 1.536 10.004 ( 2.757 -0.538 -8.582) 9.031 10.098 ( 2.950 -2.799 -4.660) 6.185 10.165 ( 3.313 5.573 -3.399) 7.321 10.362 ( -4.681 -2.168 -1.266) 5.312 10.503 ( 4.499 5.222 -2.682) 7.397 10.668 ( 4.716 3.858 1.600) 6.299 10.726 ( 3.801 3.651 -0.919) 5.350 10.764 ( -2.459 6.386 9.525) 11.728 10.931 ( -2.717 4.484 -1.431) 5.435 10.959 ( -2.810 2.576 0.857) 3.907 11.032 ( 3.666 -3.141 2.016) 5.232 11.083 ( 1.877 2.534 1.381) 3.443 11.210 ( -0.875 3.435 4.266) 5.546 11.274 ( -4.653 -2.463 8.351) 9.872 11.356 ( -0.067 -4.206 4.462) 6.132 11.408 ( -0.619 -1.690 2.655) 3.208 11.601 ( 1.160 -0.935 -1.768) 2.312 11.641 ( 2.501 -1.372 -0.087) 2.854 12.132 ( -0.833 -2.424 -1.435) 2.937 12.337 ( -6.863 -12.108 -11.855) 18.283 12.850 ( 0.303 0.356 0.142) 0.489 12.865 ( -0.144 -0.711 1.078) 1.300 12.974 ( -0.304 -2.594 1.419) 2.972 13.019 ( -1.036 -4.827 -1.625) 5.197 13.129 ( 0.488 0.688 -2.186) 2.343 13.144 ( -0.333 0.285 0.274) 0.517 13.184 ( -2.015 -1.991 1.241) 3.093 13.197 ( -1.713 -2.300 -0.209) 2.875 13.264 ( 1.431 -2.127 0.084) 2.565 13.295 ( 2.450 -0.949 -2.399) 3.558 13.497 ( 0.637 0.991 -2.326) 2.607 13.518 ( 0.277 -0.224 -0.117) 0.375 13.564 ( -0.355 3.023 -3.254) 4.455 13.620 ( -1.838 3.206 -5.649) 6.750 13.638 ( -2.853 1.676 -1.156) 3.505 13.710 ( -3.467 -1.012 -2.884) 4.622 13.817 ( 1.795 0.871 -4.982) 5.367 13.911 ( -0.405 1.611 -4.060) 4.386 13.957 ( -0.109 0.367 -1.303) 1.358 13.978 ( -3.004 -0.103 -2.851) 4.143 14.058 ( 4.278 -1.866 -2.524) 5.306 14.119 ( 3.213 -0.230 0.616) 3.279 14.178 ( -1.276 1.448 -3.606) 4.091 14.230 ( -0.870 -0.030 -3.721) 3.822 15.090 ( 2.522 1.030 9.373) 9.761 15.173 ( -0.637 -4.324 11.075) 11.906 15.617 ( -0.670 -0.329 -1.079) 1.312 15.637 ( -0.834 -0.295 -0.434) 0.985 15.991 ( -0.268 -1.356 -2.415) 2.783 16.038 ( -1.373 -2.615 -0.825) 3.067 16.331 ( -0.299 1.382 -4.512) 4.728 16.391 ( -2.468 -1.752 -4.435) 5.370 17.479 ( -1.251 -0.553 0.567) 1.481 17.498 ( -3.153 -1.816 1.218) 3.837 17.548 ( 0.171 -1.158 -1.033) 1.561 17.607 ( -2.905 -0.475 -0.139) 2.947 17.613 ( 1.064 -0.382 1.191) 1.643 17.664 ( -1.848 0.515 0.803) 2.080 17.755 ( 3.130 2.823 -0.287) 4.225 17.819 ( 1.061 0.987 -0.805) 1.658 17.896 ( 0.801 -0.270 1.163) 1.438 17.950 ( -0.550 -0.517 2.391) 2.508 17.960 ( 1.752 -1.174 1.181) 2.417 18.015 ( 0.492 -2.578 2.056) 3.334 18.084 ( -0.788 1.624 -2.976) 3.481 18.110 ( 0.059 0.339 -3.450) 3.467 18.147 ( 0.620 2.652 0.047) 2.723 18.223 ( -0.535 0.709 0.318) 0.944 18.283 ( 3.387 1.390 4.838) 6.067 18.421 ( 2.071 -2.593 4.122) 5.292 18.522 ( -0.896 1.730 9.719) 9.912 18.620 ( -1.461 -1.155 9.303) 9.487 18.714 ( 1.631 4.032 2.115) 4.836 18.839 ( -3.021 1.162 -0.157) 3.241 18.930 ( 1.163 -1.217 2.815) 3.280 18.980 ( -1.624 -1.459 2.508) 3.325 19.403 ( 0.710 1.321 -1.475) 2.104 19.424 ( 1.086 1.693 -2.043) 2.867 19.469 ( -1.204 -1.360 -0.892) 2.024 19.508 ( -0.201 -0.582 -1.285) 1.425 19.580 ( 0.159 1.673 -3.676) 4.042 19.618 ( 1.048 -0.733 -2.676) 2.966 19.648 ( 0.304 -0.952 -1.426) 1.742 19.762 ( -1.975 -5.334 -4.959) 7.546 19.987 ( 3.559 1.717 1.848) 4.362 20.048 ( 0.969 -0.268 2.202) 2.421 20.067 ( 0.212 1.407 1.389) 1.989 20.093 ( -0.313 -0.567 3.651) 3.708 29.653 ( 1.214 -0.323 1.874) 2.256 29.709 ( -0.787 -3.058 1.555) 3.520 29.801 ( 0.635 1.025 0.151) 1.215 29.850 ( 0.299 -1.250 -0.878) 1.556 29.868 ( -1.531 0.612 -1.508) 2.235 29.918 ( -1.207 -1.925 -1.549) 2.750 29.977 ( 1.504 0.453 -1.924) 2.483 30.006 ( 0.022 -0.513 -1.743) 1.818 30.657 ( 0.225 0.337 0.554) 0.687 30.673 ( -0.437 -0.289 0.395) 0.656 30.755 ( 0.357 2.079 -1.228) 2.441 30.776 ( -0.452 1.448 -1.859) 2.399 31.600 ( 1.520 1.838 10.604) 10.868 31.667 ( -1.077 3.678 10.131) 10.831 31.678 ( 3.399 -0.093 5.345) 6.335 31.768 ( 1.068 3.704 3.977) 5.539 31.828 ( -1.490 0.322 4.979) 5.207 31.874 ( -1.464 4.515 3.881) 6.131 31.998 ( 0.476 -0.059 3.439) 3.472 32.046 ( -0.776 -2.760 3.640) 4.633 32.282 ( 0.789 9.259 0.422) 9.302 32.365 ( -3.296 7.152 -1.514) 8.019 32.530 ( 2.965 2.689 -1.607) 4.314 32.673 ( -2.689 0.154 -4.711) 5.426 32.869 ( 0.364 8.709 -3.350) 9.338 32.956 ( -3.634 4.606 -0.011) 5.867 33.062 ( 1.659 -5.069 3.008) 6.123 33.129 ( 0.347 -4.193 5.087) 6.602 33.277 ( 1.775 0.733 -5.604) 5.924 33.426 ( -4.044 -3.848 -1.479) 5.775 33.542 ( 6.427 -3.857 -2.650) 7.951 33.757 ( 0.970 -12.653 -4.697) 13.532 34.328 ( 0.156 2.651 6.860) 7.356 34.416 ( -2.450 -1.960 8.872) 9.411 35.074 ( -6.377 8.853 -2.431) 11.179 35.099 ( -10.038 8.903 -4.059) 14.018 35.180 ( -2.227 -0.112 3.211) 3.909 35.216 ( -6.898 0.939 0.296) 6.968 35.364 ( 2.407 4.932 0.228) 5.493 35.521 ( -3.636 0.097 -1.939) 4.122 36.017 ( 3.104 6.808 -4.924) 8.957 36.194 ( -2.320 3.291 -2.460) 4.718 36.369 ( 1.059 -6.072 -7.638) 9.815 36.412 ( 0.801 -4.624 -7.201) 8.595 36.881 ( 17.809 -7.978 -5.004) 20.146 36.965 ( 3.120 -7.475 3.553) 8.846 37.172 ( 4.970 2.640 -5.607) 7.944 37.589 ( -5.681 -16.910 -4.654) 18.436 ======================= Grid point 47 (21/48) ======================= q-point: (-0.50 0.33 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.872 ( -19.279 13.496 3.878) 23.851 1.872 ( 19.279 13.496 3.878) 23.851 2.173 ( -2.698 4.058 2.045) 5.284 2.173 ( 2.698 4.058 2.045) 5.284 2.246 ( -4.052 7.020 5.015) 9.531 2.246 ( 4.052 7.020 5.015) 9.531 2.399 ( -8.561 11.131 5.041) 14.920 2.399 ( 8.561 11.131 5.041) 14.920 2.510 ( -3.001 4.831 -0.871) 5.754 2.510 ( 3.001 4.831 -0.871) 5.754 2.721 ( -7.917 2.168 2.920) 8.712 2.721 ( 7.917 2.168 2.920) 8.712 2.926 ( -8.777 -0.201 1.773) 8.957 2.926 ( 8.777 -0.201 1.773) 8.957 3.124 ( -8.478 5.955 8.997) 13.722 3.124 ( 8.478 5.955 8.997) 13.722 3.240 ( -9.037 -1.571 9.920) 13.511 3.240 ( 9.037 -1.571 9.920) 13.511 3.407 ( -1.924 4.592 -3.146) 5.890 3.407 ( 1.924 4.592 -3.146) 5.890 3.461 ( -7.611 6.220 -5.641) 11.333 3.461 ( 7.611 6.220 -5.641) 11.333 3.608 ( -5.611 -3.089 -0.165) 6.408 3.608 ( 5.611 -3.089 -0.165) 6.408 3.803 ( -8.840 -1.798 0.980) 9.074 3.803 ( 8.840 -1.798 0.980) 9.074 3.974 ( -8.749 -2.656 -0.359) 9.151 3.974 ( 8.749 -2.656 -0.359) 9.151 4.020 ( -6.739 4.538 3.294) 8.767 4.020 ( 6.739 4.538 3.294) 8.767 4.130 ( -5.630 7.735 2.793) 9.966 4.130 ( 5.630 7.735 2.793) 9.966 4.347 ( -3.747 4.411 1.560) 5.994 4.347 ( 3.747 4.411 1.560) 5.994 4.391 ( -3.442 -0.014 -1.604) 3.797 4.391 ( 3.442 -0.014 -1.604) 3.797 4.539 ( -1.986 2.341 -0.998) 3.227 4.539 ( 1.986 2.341 -0.998) 3.227 4.634 ( -1.425 1.350 -1.410) 2.417 4.634 ( 1.425 1.350 -1.410) 2.417 4.821 ( -1.876 -4.339 -9.130) 10.282 4.821 ( 1.876 -4.339 -9.130) 10.282 4.914 ( -2.574 -7.078 3.592) 8.344 4.914 ( 2.574 -7.078 3.592) 8.344 5.059 ( -3.755 -1.486 2.699) 4.857 5.059 ( 3.755 -1.486 2.699) 4.857 5.146 ( -1.186 -1.730 6.356) 6.693 5.146 ( 1.186 -1.730 6.356) 6.693 5.212 ( -3.078 -3.359 -1.122) 4.692 5.212 ( 3.078 -3.359 -1.122) 4.692 5.309 ( -6.378 -3.920 -2.096) 7.774 5.309 ( 6.378 -3.920 -2.096) 7.774 5.434 ( -4.358 0.234 2.649) 5.106 5.434 ( 4.358 0.234 2.649) 5.106 5.607 ( -1.591 -0.654 -3.400) 3.810 5.607 ( 1.591 -0.654 -3.400) 3.810 5.725 ( -3.798 -1.209 -0.282) 3.996 5.725 ( 3.798 -1.209 -0.282) 3.996 5.761 ( -5.935 4.446 -0.870) 7.466 5.761 ( 5.935 4.446 -0.870) 7.466 5.831 ( -6.552 -10.064 4.023) 12.665 5.831 ( 6.552 -10.064 4.023) 12.665 5.977 ( -4.209 -5.175 2.693) 7.193 5.977 ( 4.209 -5.175 2.693) 7.193 6.256 ( -0.721 0.562 8.348) 8.398 6.256 ( 0.721 0.562 8.348) 8.398 6.478 ( -0.645 -3.079 -5.902) 6.688 6.478 ( 0.645 -3.079 -5.902) 6.688 6.964 ( -3.630 7.723 -2.743) 8.964 6.964 ( 3.630 7.723 -2.743) 8.964 7.038 ( -5.755 -9.428 -4.050) 11.765 7.038 ( 5.755 -9.428 -4.050) 11.765 8.616 ( -2.043 -3.758 3.103) 5.284 8.616 ( 2.043 -3.758 3.103) 5.284 8.858 ( -1.197 5.393 -3.556) 6.570 8.858 ( 1.197 5.393 -3.556) 6.570 8.939 ( -0.477 -0.823 -2.224) 2.419 8.939 ( 0.477 -0.823 -2.224) 2.419 9.062 ( -2.127 1.885 1.739) 3.332 9.062 ( 2.127 1.885 1.739) 3.332 9.195 ( -1.860 3.603 1.095) 4.200 9.195 ( 1.860 3.603 1.095) 4.200 9.467 ( -2.695 -2.504 -4.150) 5.545 9.467 ( 2.695 -2.504 -4.150) 5.545 9.533 ( -1.016 -2.394 -3.094) 4.042 9.533 ( 1.016 -2.394 -3.094) 4.042 9.637 ( -3.238 -1.066 -3.904) 5.183 9.637 ( 3.238 -1.066 -3.904) 5.183 9.697 ( -0.681 -0.773 -2.469) 2.675 9.697 ( 0.681 -0.773 -2.469) 2.675 9.859 ( -2.253 0.568 1.232) 2.630 9.859 ( 2.253 0.568 1.232) 2.630 10.076 ( -3.345 0.444 -11.530) 12.014 10.076 ( 3.345 0.444 -11.530) 12.014 10.265 ( -4.804 -0.951 -0.945) 4.988 10.265 ( 4.804 -0.951 -0.945) 4.988 10.644 ( -7.211 7.212 2.976) 10.624 10.644 ( 7.211 7.212 2.976) 10.624 10.756 ( -3.816 8.313 -1.107) 9.214 10.756 ( 3.816 8.313 -1.107) 9.214 10.908 ( -2.768 0.692 0.118) 2.856 10.908 ( 2.768 0.692 0.118) 2.856 11.112 ( -1.871 1.654 1.222) 2.780 11.112 ( 1.871 1.654 1.222) 2.780 11.187 ( -1.915 -3.326 8.398) 9.234 11.187 ( 1.915 -3.326 8.398) 9.234 11.377 ( -2.053 -1.125 3.451) 4.170 11.377 ( 2.053 -1.125 3.451) 4.170 11.650 ( -2.158 -1.675 -1.381) 3.061 11.650 ( 2.158 -1.675 -1.381) 3.061 12.180 ( -6.251 -7.221 -4.546) 10.578 12.180 ( 6.251 -7.221 -4.546) 10.578 12.858 ( -0.437 -0.036 1.127) 1.210 12.858 ( 0.437 -0.036 1.127) 1.210 12.987 ( -1.561 -3.848 0.250) 4.161 12.987 ( 1.561 -3.848 0.250) 4.161 13.139 ( -0.231 -1.019 -0.221) 1.068 13.139 ( 0.231 -1.019 -0.221) 1.068 13.167 ( -0.888 -1.783 -0.352) 2.023 13.167 ( 0.888 -1.783 -0.352) 2.023 13.310 ( -1.634 0.264 -3.440) 3.817 13.310 ( 1.634 0.264 -3.440) 3.817 13.517 ( -0.918 0.538 -1.349) 1.718 13.517 ( 0.918 0.538 -1.349) 1.718 13.569 ( -3.039 2.530 -2.940) 4.927 13.569 ( 3.039 2.530 -2.940) 4.927 13.637 ( -2.667 0.477 -1.454) 3.075 13.637 ( 2.667 0.477 -1.454) 3.075 13.871 ( -3.231 0.973 -4.492) 5.618 13.871 ( 3.231 0.973 -4.492) 5.618 13.951 ( -0.539 -0.023 -2.104) 2.172 13.951 ( 0.539 -0.023 -2.104) 2.172 14.126 ( -2.103 -0.965 -2.854) 3.674 14.126 ( 2.103 -0.965 -2.854) 3.674 14.197 ( -2.296 0.959 -1.348) 2.829 14.197 ( 2.296 0.959 -1.348) 2.829 15.143 ( -2.260 -1.523 10.303) 10.657 15.143 ( 2.260 -1.523 10.303) 10.657 15.617 ( -0.701 -0.968 -0.290) 1.229 15.617 ( 0.701 -0.968 -0.290) 1.229 16.005 ( -1.453 -2.006 -1.420) 2.855 16.005 ( 1.453 -2.006 -1.420) 2.855 16.343 ( -1.657 -0.046 -4.348) 4.653 16.343 ( 1.657 -0.046 -4.348) 4.653 17.462 ( -0.344 -1.945 1.496) 2.478 17.462 ( 0.344 -1.945 1.496) 2.478 17.563 ( -1.316 -0.399 -1.126) 1.777 17.563 ( 1.316 -0.399 -1.126) 1.777 17.637 ( -1.124 -0.238 1.667) 2.025 17.637 ( 1.124 -0.238 1.667) 2.025 17.806 ( -1.840 2.348 0.007) 2.983 17.806 ( 1.840 2.348 0.007) 2.983 17.926 ( -1.680 -0.977 1.927) 2.737 17.926 ( 1.680 -0.977 1.927) 2.737 18.000 ( -1.673 -1.632 0.186) 2.345 18.000 ( 1.673 -1.632 0.186) 2.345 18.093 ( -1.345 1.642 -2.422) 3.221 18.093 ( 1.345 1.642 -2.422) 3.221 18.183 ( -2.494 1.372 -0.909) 2.988 18.183 ( 2.494 1.372 -0.909) 2.988 18.376 ( -4.709 -0.146 6.161) 7.756 18.376 ( 4.709 -0.146 6.161) 7.756 18.569 ( -3.393 -0.544 10.321) 10.878 18.569 ( 3.393 -0.544 10.321) 10.878 18.768 ( -3.486 2.492 0.019) 4.285 18.768 ( 3.486 2.492 0.019) 4.285 18.951 ( -1.108 -1.321 2.379) 2.938 18.951 ( 1.108 -1.321 2.379) 2.938 19.423 ( -1.221 0.044 -2.238) 2.550 19.423 ( 1.221 0.044 -2.238) 2.550 19.482 ( -2.089 1.115 -1.097) 2.610 19.482 ( 2.089 1.115 -1.097) 2.610 19.595 ( -1.395 0.868 -2.819) 3.263 19.595 ( 1.395 0.868 -2.819) 3.263 19.706 ( -3.363 -4.265 -4.403) 6.992 19.706 ( 3.363 -4.265 -4.403) 6.992 20.047 ( -1.660 1.261 2.387) 3.169 20.047 ( 1.660 1.261 2.387) 3.169 20.078 ( -0.957 -0.087 1.711) 1.962 20.078 ( 0.957 -0.087 1.711) 1.962 29.684 ( -1.530 -1.691 1.429) 2.692 29.684 ( 1.530 -1.691 1.429) 2.692 29.822 ( -1.458 0.906 -0.084) 1.719 29.822 ( 1.458 0.906 -0.084) 1.719 29.886 ( -1.658 -1.623 -1.410) 2.716 29.886 ( 1.658 -1.623 -1.410) 2.716 30.000 ( -0.657 -0.190 -1.938) 2.055 30.000 ( 0.657 -0.190 -1.938) 2.055 30.664 ( -0.444 0.135 0.537) 0.709 30.664 ( 0.444 0.135 0.537) 0.709 30.765 ( -0.556 1.791 -1.388) 2.333 30.765 ( 0.556 1.791 -1.388) 2.333 31.636 ( -1.770 3.285 10.397) 11.047 31.636 ( 1.770 3.285 10.397) 11.047 31.753 ( -3.090 -0.764 4.604) 5.597 31.753 ( 3.090 -0.764 4.604) 5.597 31.832 ( -2.189 3.792 4.384) 6.196 31.832 ( 2.189 3.792 4.384) 6.196 32.020 ( -1.502 -1.396 3.269) 3.859 32.020 ( 1.502 -1.396 3.269) 3.859 32.309 ( -1.971 8.664 -0.368) 8.893 32.309 ( 1.971 8.664 -0.368) 8.893 32.599 ( -3.823 -0.253 -2.177) 4.407 32.599 ( 3.823 -0.253 -2.177) 4.407 32.896 ( -2.278 9.747 -2.804) 10.395 32.896 ( 2.278 9.747 -2.804) 10.395 33.107 ( -2.108 -3.544 3.878) 5.661 33.107 ( 2.108 -3.544 3.878) 5.661 33.336 ( -4.003 -1.824 -3.273) 5.483 33.336 ( 4.003 -1.824 -3.273) 5.483 33.695 ( -6.652 -7.000 -4.406) 10.614 33.695 ( 6.652 -7.000 -4.406) 10.614 34.359 ( -2.664 -0.394 7.063) 7.559 34.359 ( 2.664 -0.394 7.063) 7.559 34.963 ( -1.610 9.389 -3.313) 10.086 34.963 ( 1.610 9.389 -3.313) 10.086 35.170 ( -0.911 -0.034 2.109) 2.298 35.170 ( 0.911 -0.034 2.109) 2.298 35.439 ( -4.148 4.031 -0.369) 5.796 35.439 ( 4.148 4.031 -0.369) 5.796 36.116 ( -4.947 4.226 -1.937) 6.788 36.116 ( 4.947 4.226 -1.937) 6.788 36.402 ( -1.548 -5.764 -5.657) 8.223 36.402 ( 1.548 -5.764 -5.657) 8.223 37.007 ( -1.577 -3.063 -0.557) 3.490 37.007 ( 1.577 -3.063 -0.557) 3.490 37.406 ( -12.256 -13.916 -7.734) 20.092 37.406 ( 12.256 -13.916 -7.734) 20.092 ======================= Grid point 50 (22/48) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.000 -1.264 11.771) 11.839 1.676 ( 0.000 1.264 11.771) 11.839 2.005 ( 0.000 -16.156 14.378) 21.627 2.005 ( 0.000 16.156 14.378) 21.627 2.159 ( 0.000 -0.712 3.208) 3.286 2.159 ( 0.000 0.712 3.208) 3.286 2.379 ( 0.000 -3.889 3.572) 5.280 2.379 ( 0.000 3.889 3.572) 5.280 2.671 ( 0.000 -1.537 -10.582) 10.693 2.671 ( 0.000 1.537 -10.582) 10.693 2.902 ( 0.000 -4.445 -2.533) 5.116 2.902 ( 0.000 4.445 -2.533) 5.116 2.945 ( 0.000 -9.461 0.327) 9.467 2.945 ( 0.000 9.461 0.327) 9.467 3.141 ( 0.000 -5.347 -3.731) 6.520 3.141 ( 0.000 5.347 -3.731) 6.520 3.213 ( 0.000 -0.005 6.495) 6.495 3.213 ( 0.000 0.005 6.495) 6.495 3.324 ( 0.000 -3.007 3.860) 4.894 3.324 ( 0.000 3.007 3.860) 4.894 3.594 ( 0.000 -0.108 2.649) 2.651 3.594 ( 0.000 0.108 2.649) 2.651 3.702 ( 0.000 -9.960 -0.010) 9.960 3.702 ( 0.000 9.960 -0.010) 9.960 3.890 ( 0.000 -1.959 -1.563) 2.506 3.890 ( 0.000 1.959 -1.563) 2.506 4.055 ( 0.000 -18.284 -2.960) 18.522 4.055 ( 0.000 18.284 -2.960) 18.522 4.069 ( 0.000 -5.109 1.889) 5.447 4.069 ( 0.000 5.109 1.889) 5.447 4.251 ( 0.000 -0.370 10.558) 10.565 4.251 ( 0.000 0.370 10.558) 10.565 4.327 ( 0.000 -4.463 -4.664) 6.455 4.327 ( 0.000 4.463 -4.664) 6.455 4.448 ( 0.000 -5.973 -0.481) 5.993 4.448 ( 0.000 5.973 -0.481) 5.993 4.502 ( 0.000 -1.772 5.192) 5.486 4.502 ( 0.000 1.772 5.192) 5.486 4.526 ( 0.000 -4.373 -2.753) 5.167 4.526 ( 0.000 4.373 -2.753) 5.167 4.802 ( 0.000 -5.350 -4.443) 6.954 4.802 ( 0.000 5.350 -4.443) 6.954 4.910 ( 0.000 -11.000 3.130) 11.437 4.910 ( 0.000 11.000 3.130) 11.437 4.970 ( 0.000 -7.333 -3.238) 8.016 4.970 ( 0.000 7.333 -3.238) 8.016 5.033 ( 0.000 -0.199 0.831) 0.855 5.033 ( 0.000 0.199 0.831) 0.855 5.164 ( 0.000 -2.750 4.910) 5.628 5.164 ( 0.000 2.750 4.910) 5.628 5.244 ( 0.000 -2.369 5.001) 5.533 5.244 ( 0.000 2.369 5.001) 5.533 5.395 ( 0.000 -5.170 -1.276) 5.325 5.395 ( 0.000 5.170 -1.276) 5.325 5.589 ( 0.000 -1.010 1.346) 1.682 5.589 ( 0.000 1.010 1.346) 1.682 5.614 ( 0.000 -3.145 -0.493) 3.183 5.614 ( 0.000 3.145 -0.493) 3.183 5.827 ( 0.000 -4.351 5.315) 6.869 5.827 ( 0.000 4.351 5.315) 6.869 5.918 ( 0.000 -8.268 -5.389) 9.869 5.918 ( 0.000 8.268 -5.389) 9.869 6.070 ( 0.000 -1.036 1.350) 1.702 6.070 ( 0.000 1.036 1.350) 1.702 6.352 ( 0.000 -8.035 8.874) 11.971 6.352 ( 0.000 8.035 8.874) 11.971 6.373 ( 0.000 -3.291 -1.553) 3.639 6.373 ( 0.000 3.291 -1.553) 3.639 6.951 ( 0.000 -6.132 -7.447) 9.646 6.951 ( 0.000 6.132 -7.447) 9.646 7.093 ( 0.000 -5.331 -3.912) 6.612 7.093 ( 0.000 5.331 -3.912) 6.612 8.564 ( 0.000 -2.684 4.220) 5.001 8.564 ( 0.000 2.684 4.220) 5.001 8.923 ( 0.000 -0.001 -2.256) 2.256 8.923 ( 0.000 0.001 -2.256) 2.256 8.952 ( 0.000 -0.189 -6.009) 6.012 8.952 ( 0.000 0.189 -6.009) 6.012 9.140 ( 0.000 -0.920 0.247) 0.953 9.140 ( 0.000 0.920 0.247) 0.953 9.240 ( 0.000 -3.175 2.882) 4.288 9.240 ( 0.000 3.175 2.882) 4.288 9.367 ( 0.000 -2.514 0.247) 2.526 9.367 ( 0.000 2.514 0.247) 2.526 9.430 ( 0.000 -7.341 -3.290) 8.044 9.430 ( 0.000 7.341 -3.290) 8.044 9.589 ( 0.000 -4.188 2.083) 4.677 9.589 ( 0.000 4.188 2.083) 4.677 9.777 ( 0.000 -4.973 0.679) 5.019 9.777 ( 0.000 4.973 0.679) 5.019 9.842 ( 0.000 -1.979 -7.054) 7.326 9.842 ( 0.000 1.979 -7.054) 7.326 9.976 ( 0.000 -0.000 -9.507) 9.507 9.976 ( 0.000 0.000 -9.507) 9.507 10.288 ( 0.000 -8.772 -1.890) 8.974 10.288 ( 0.000 8.772 -1.890) 8.974 10.550 ( 0.000 -0.374 -3.264) 3.286 10.550 ( 0.000 0.374 -3.264) 3.286 10.795 ( 0.000 -7.816 3.723) 8.657 10.795 ( 0.000 7.816 3.723) 8.657 10.989 ( 0.000 -1.681 8.394) 8.561 10.989 ( 0.000 1.681 8.394) 8.561 11.079 ( 0.000 -2.338 0.268) 2.353 11.079 ( 0.000 2.338 0.268) 2.353 11.260 ( 0.000 -2.715 7.131) 7.631 11.260 ( 0.000 2.715 7.131) 7.631 11.351 ( 0.000 -2.031 -0.547) 2.103 11.351 ( 0.000 2.031 -0.547) 2.103 11.594 ( 0.000 -0.047 -1.085) 1.086 11.594 ( 0.000 0.047 -1.085) 1.086 12.196 ( 0.000 -6.566 -6.993) 9.592 12.196 ( 0.000 6.566 -6.993) 9.592 12.861 ( 0.000 -0.497 0.958) 1.079 12.861 ( 0.000 0.497 0.958) 1.079 12.961 ( 0.000 -1.235 -0.917) 1.538 12.961 ( 0.000 1.235 -0.917) 1.538 13.165 ( 0.000 -0.547 0.166) 0.572 13.165 ( 0.000 0.547 0.166) 0.572 13.195 ( 0.000 -0.862 -0.159) 0.876 13.195 ( 0.000 0.862 -0.159) 0.876 13.204 ( 0.000 -1.240 -0.108) 1.245 13.204 ( 0.000 1.240 -0.108) 1.245 13.504 ( 0.000 -0.001 -0.791) 0.791 13.504 ( 0.000 0.001 -0.791) 0.791 13.612 ( 0.000 -2.636 -0.988) 2.815 13.612 ( 0.000 2.636 -0.988) 2.815 13.732 ( 0.000 -1.783 -8.247) 8.437 13.732 ( 0.000 1.783 -8.247) 8.437 13.902 ( 0.000 -5.403 -3.098) 6.228 13.902 ( 0.000 5.403 -3.098) 6.228 13.945 ( 0.000 -0.507 -1.297) 1.393 13.945 ( 0.000 0.507 -1.297) 1.393 14.054 ( 0.000 -0.489 -1.251) 1.343 14.054 ( 0.000 0.489 -1.251) 1.343 14.222 ( 0.000 -0.826 -5.017) 5.085 14.222 ( 0.000 0.826 -5.017) 5.085 15.106 ( 0.000 -2.574 9.722) 10.057 15.106 ( 0.000 2.574 9.722) 10.057 15.638 ( 0.000 -0.497 -1.463) 1.545 15.638 ( 0.000 0.497 -1.463) 1.545 16.008 ( 0.000 -1.126 -1.859) 2.173 16.008 ( 0.000 1.126 -1.859) 2.173 16.374 ( 0.000 -2.097 -4.900) 5.329 16.374 ( 0.000 2.097 -4.900) 5.329 17.512 ( 0.000 -1.481 -0.490) 1.560 17.512 ( 0.000 1.481 -0.490) 1.560 17.560 ( 0.000 -0.316 1.205) 1.246 17.560 ( 0.000 0.316 1.205) 1.246 17.692 ( 0.000 -0.558 -1.611) 1.705 17.692 ( 0.000 0.558 -1.611) 1.705 17.747 ( 0.000 -2.236 0.011) 2.236 17.747 ( 0.000 2.236 0.011) 2.236 17.921 ( 0.000 -0.713 0.602) 0.933 17.921 ( 0.000 0.713 0.602) 0.933 17.965 ( 0.000 -0.999 3.436) 3.578 17.965 ( 0.000 0.999 3.436) 3.578 18.106 ( 0.000 -0.783 -3.136) 3.232 18.106 ( 0.000 0.783 -3.136) 3.232 18.184 ( 0.000 -1.738 1.991) 2.643 18.184 ( 0.000 1.738 1.991) 2.643 18.325 ( 0.000 -3.153 0.666) 3.222 18.325 ( 0.000 3.153 0.666) 3.222 18.595 ( 0.000 -2.004 9.992) 10.191 18.595 ( 0.000 2.004 9.992) 10.191 18.799 ( 0.000 -5.086 1.881) 5.423 18.799 ( 0.000 5.086 1.881) 5.423 18.955 ( 0.000 -2.905 2.929) 4.126 18.955 ( 0.000 2.905 2.929) 4.126 19.431 ( 0.000 -1.848 -1.394) 2.315 19.431 ( 0.000 1.848 -1.394) 2.315 19.468 ( 0.000 -1.785 -1.707) 2.470 19.468 ( 0.000 1.785 -1.707) 2.470 19.602 ( 0.000 -0.703 -1.597) 1.745 19.602 ( 0.000 0.703 -1.597) 1.745 19.686 ( 0.000 -3.708 -3.468) 5.077 19.686 ( 0.000 3.708 -3.468) 5.077 19.995 ( 0.000 -2.745 2.218) 3.529 19.995 ( 0.000 2.745 2.218) 3.529 20.087 ( 0.000 -0.456 2.711) 2.749 20.087 ( 0.000 0.456 2.711) 2.749 29.661 ( 0.000 -1.916 2.040) 2.799 29.661 ( 0.000 1.916 2.040) 2.799 29.818 ( 0.000 -1.289 -0.683) 1.459 29.818 ( 0.000 1.289 -0.683) 1.459 29.904 ( 0.000 -0.503 -1.549) 1.628 29.904 ( 0.000 0.503 -1.549) 1.628 29.983 ( 0.000 -1.467 -1.786) 2.311 29.983 ( 0.000 1.467 -1.786) 2.311 30.665 ( 0.000 -0.683 0.600) 0.909 30.665 ( 0.000 0.683 0.600) 0.909 30.783 ( 0.000 -0.908 -1.821) 2.035 30.783 ( 0.000 0.908 -1.821) 2.035 31.612 ( 0.000 -1.829 8.735) 8.924 31.612 ( 0.000 1.829 8.735) 8.924 31.753 ( 0.000 -3.578 8.418) 9.147 31.753 ( 0.000 3.578 8.418) 9.147 31.937 ( 0.000 -7.735 4.834) 9.122 31.937 ( 0.000 7.735 4.834) 9.122 31.985 ( 0.000 -2.543 2.057) 3.271 31.985 ( 0.000 2.543 2.057) 3.271 32.410 ( 0.000 -4.009 -2.632) 4.796 32.410 ( 0.000 4.009 -2.632) 4.796 32.641 ( 0.000 -6.157 -3.282) 6.977 32.641 ( 0.000 6.157 -3.282) 6.977 32.987 ( 0.000 -3.315 -0.421) 3.342 32.987 ( 0.000 3.315 -0.421) 3.342 33.014 ( 0.000 -1.297 4.447) 4.632 33.014 ( 0.000 1.297 4.447) 4.632 33.381 ( 0.000 -6.906 -6.203) 9.283 33.381 ( 0.000 6.906 -6.203) 9.283 33.476 ( 0.000 -5.194 -1.929) 5.541 33.476 ( 0.000 5.194 -1.929) 5.541 34.397 ( 0.000 -2.847 10.024) 10.420 34.397 ( 0.000 2.847 10.024) 10.420 35.182 ( 0.000 -0.959 2.618) 2.788 35.182 ( 0.000 0.959 2.618) 2.788 35.379 ( 0.000 -11.465 -3.085) 11.873 35.379 ( 0.000 11.465 -3.085) 11.873 35.416 ( 0.000 -3.457 -0.616) 3.511 35.416 ( 0.000 3.457 -0.616) 3.511 36.175 ( 0.000 -3.417 -11.119) 11.632 36.175 ( 0.000 3.417 -11.119) 11.632 36.325 ( 0.000 -0.934 -12.775) 12.810 36.325 ( 0.000 0.934 -12.775) 12.810 36.702 ( 0.000 -11.618 7.984) 14.097 36.702 ( 0.000 11.618 7.984) 14.097 37.343 ( 0.000 -13.117 -3.935) 13.695 37.343 ( 0.000 13.117 -3.935) 13.695 ======================= Grid point 52 (23/48) ======================= q-point: ( 0.25 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.725 ( 10.638 -0.000 6.724) 12.585 1.922 ( 13.006 0.000 5.027) 13.944 2.074 ( 9.325 0.000 11.944) 15.153 2.148 ( 5.398 -0.000 0.697) 5.443 2.232 ( 4.970 0.000 -0.128) 4.972 2.296 ( 7.504 0.000 19.906) 21.273 2.395 ( 5.360 0.000 12.038) 13.177 2.481 ( 9.409 0.000 2.024) 9.625 2.683 ( -6.498 -0.000 -5.930) 8.797 2.685 ( 2.203 0.000 -9.140) 9.402 2.759 ( -7.261 -0.000 -2.049) 7.544 2.759 ( -7.209 0.000 -5.875) 9.299 2.938 ( -4.563 -0.000 -2.394) 5.153 2.986 ( 6.412 -0.000 -2.713) 6.962 3.110 ( -0.667 -0.000 -1.481) 1.624 3.142 ( -0.611 0.000 -0.163) 0.632 3.207 ( 3.053 -0.000 4.621) 5.538 3.264 ( 0.445 0.000 5.179) 5.198 3.368 ( 7.482 0.000 7.814) 10.818 3.403 ( 2.554 0.000 1.501) 2.962 3.501 ( -2.118 -0.000 6.549) 6.883 3.502 ( -7.907 0.000 3.823) 8.782 3.659 ( -2.774 -0.000 0.489) 2.817 3.704 ( -6.375 0.000 4.640) 7.885 3.784 ( -8.823 -0.000 4.710) 10.001 3.817 ( -5.335 0.000 3.887) 6.601 3.949 ( -9.339 0.000 -0.026) 9.339 4.011 ( -0.567 0.000 -6.243) 6.269 4.131 ( 6.067 -0.000 -5.645) 8.287 4.137 ( -7.944 0.000 1.096) 8.019 4.202 ( 9.571 0.000 -0.054) 9.572 4.309 ( 2.566 0.000 0.758) 2.675 4.386 ( 0.191 -0.000 -4.919) 4.923 4.404 ( 3.436 0.000 -2.364) 4.171 4.444 ( -1.807 -0.000 0.573) 1.896 4.450 ( 4.644 0.000 4.876) 6.734 4.465 ( 3.312 0.000 -1.036) 3.470 4.485 ( -0.226 -0.000 -2.154) 2.166 4.556 ( -1.063 -0.000 -3.187) 3.359 4.642 ( 3.460 0.000 2.307) 4.158 4.785 ( -4.462 0.000 0.181) 4.465 4.850 ( 1.526 0.000 1.281) 1.992 4.871 ( 3.918 0.000 -0.614) 3.966 4.885 ( -6.635 -0.000 4.741) 8.154 4.960 ( 1.207 0.000 -2.653) 2.915 4.965 ( -0.575 -0.000 -4.232) 4.271 5.015 ( 3.946 -0.000 -2.829) 4.855 5.033 ( 2.352 0.000 2.926) 3.755 5.222 ( 5.570 0.000 4.000) 6.858 5.240 ( 2.632 0.000 2.735) 3.796 5.277 ( 2.428 -0.000 3.809) 4.517 5.286 ( -0.747 0.000 5.602) 5.652 5.385 ( 0.380 0.000 3.628) 3.648 5.420 ( 4.112 -0.000 -1.748) 4.468 5.571 ( -0.780 -0.000 0.098) 0.786 5.602 ( -4.735 -0.000 5.595) 7.330 5.609 ( -0.719 0.000 2.234) 2.347 5.625 ( 2.568 -0.000 0.083) 2.569 5.700 ( -3.488 0.000 -0.637) 3.545 5.757 ( -6.089 -0.000 3.196) 6.876 5.859 ( -3.179 0.000 -8.263) 8.854 5.945 ( -1.649 0.000 0.492) 1.721 5.993 ( -3.951 0.000 2.932) 4.920 6.054 ( -4.950 0.000 -0.371) 4.964 6.307 ( -0.581 0.000 8.853) 8.872 6.323 ( 0.367 0.000 -3.688) 3.706 6.386 ( 0.152 0.000 6.488) 6.489 6.426 ( -1.018 0.000 3.272) 3.427 6.900 ( -1.050 -0.000 -10.791) 10.842 6.971 ( -1.217 0.000 -6.540) 6.652 7.060 ( -0.401 0.000 -4.258) 4.277 7.100 ( -0.702 0.000 -1.792) 1.925 8.549 ( 0.007 0.000 4.052) 4.052 8.580 ( -0.142 -0.000 5.830) 5.832 8.866 ( -1.868 0.000 -3.015) 3.547 8.919 ( -2.748 0.000 -3.843) 4.724 8.955 ( 0.443 0.000 -6.977) 6.991 8.968 ( 1.445 0.000 -1.949) 2.426 9.072 ( -2.205 0.000 -0.343) 2.231 9.136 ( -2.533 0.000 5.152) 5.741 9.265 ( 2.529 -0.000 0.955) 2.703 9.280 ( -2.910 0.000 -4.267) 5.165 9.362 ( 5.932 0.000 0.848) 5.993 9.407 ( 3.226 0.000 1.927) 3.758 9.412 ( 1.239 -0.000 -1.857) 2.233 9.501 ( 1.236 0.000 -1.161) 1.696 9.612 ( 2.861 0.000 0.961) 3.018 9.639 ( 0.713 -0.000 -2.411) 2.514 9.690 ( -3.121 0.000 -4.401) 5.396 9.743 ( -3.397 0.000 -3.029) 4.551 9.854 ( 1.957 0.000 -1.536) 2.488 9.855 ( -0.056 -0.000 -2.448) 2.448 10.008 ( 4.957 0.000 -12.127) 13.101 10.063 ( 2.656 0.000 -10.476) 10.808 10.272 ( -0.528 -0.000 -1.110) 1.229 10.288 ( -2.152 0.000 -4.272) 4.784 10.574 ( 7.873 0.000 -1.060) 7.944 10.700 ( 9.410 0.000 -2.813) 9.822 10.781 ( 1.147 0.000 2.468) 2.722 10.847 ( -0.529 0.000 9.817) 9.831 10.954 ( 1.492 0.000 2.216) 2.672 10.996 ( -2.702 0.000 3.926) 4.766 11.057 ( -2.777 0.000 0.275) 2.790 11.076 ( 0.428 -0.000 3.180) 3.208 11.184 ( -5.385 0.000 7.060) 8.879 11.230 ( -3.539 0.000 7.888) 8.645 11.348 ( 1.146 0.000 1.014) 1.530 11.391 ( 1.755 0.000 1.393) 2.240 11.587 ( 0.379 0.000 -1.987) 2.023 11.625 ( 1.869 0.000 -2.169) 2.863 12.132 ( -4.172 0.000 -6.327) 7.578 12.167 ( -3.495 -0.000 -5.190) 6.257 12.858 ( -0.007 0.000 0.734) 0.734 12.864 ( 0.030 0.000 1.470) 1.470 12.949 ( -0.389 0.000 -0.627) 0.738 12.960 ( -0.595 0.000 -0.788) 0.987 13.129 ( -2.200 0.000 3.265) 3.937 13.140 ( -1.249 0.000 -1.048) 1.631 13.162 ( -1.792 0.000 1.234) 2.176 13.168 ( -0.983 0.000 -1.736) 1.996 13.263 ( 4.425 -0.000 -2.961) 5.324 13.278 ( 3.515 0.000 -1.730) 3.918 13.502 ( 0.779 0.000 -1.356) 1.564 13.508 ( 0.021 0.000 -0.278) 0.279 13.606 ( 0.564 0.000 -2.067) 2.142 13.646 ( -0.820 0.000 -3.830) 3.917 13.669 ( -2.146 0.000 -3.063) 3.740 13.698 ( -4.125 0.000 -5.082) 6.545 13.840 ( -0.873 0.000 -6.450) 6.508 13.922 ( -0.328 0.000 -1.908) 1.936 13.964 ( 0.194 0.000 -0.706) 0.732 13.966 ( -2.456 0.000 -3.065) 3.927 14.036 ( 4.274 0.000 -2.055) 4.743 14.120 ( 2.741 0.000 -0.389) 2.769 14.191 ( -1.443 0.000 -4.854) 5.064 14.225 ( -0.498 0.000 -3.273) 3.311 15.112 ( 0.862 0.000 9.719) 9.757 15.124 ( 0.911 0.000 9.899) 9.941 15.615 ( -1.243 0.000 -1.002) 1.597 15.630 ( -1.276 0.000 -0.426) 1.345 15.979 ( -0.703 0.000 -2.294) 2.399 16.012 ( -0.833 0.000 -1.262) 1.512 16.355 ( -1.270 0.000 -4.875) 5.038 16.361 ( -1.276 0.000 -4.799) 4.966 17.476 ( -2.189 0.000 0.791) 2.328 17.481 ( -3.541 0.000 1.134) 3.718 17.535 ( 0.946 0.000 -1.146) 1.486 17.595 ( -0.739 0.000 1.723) 1.874 17.616 ( -1.220 0.000 -1.106) 1.646 17.668 ( -1.839 0.000 0.984) 2.086 17.801 ( 2.749 0.000 -0.850) 2.877 17.814 ( 2.836 0.000 -1.657) 3.285 17.893 ( 0.316 0.000 0.419) 0.525 17.942 ( -1.465 0.000 3.579) 3.867 17.966 ( 0.288 0.000 2.302) 2.320 17.971 ( 1.516 -0.000 1.689) 2.270 18.107 ( -0.101 -0.000 -4.503) 4.504 18.108 ( 0.553 0.000 -2.751) 2.806 18.187 ( -0.246 0.000 -1.279) 1.303 18.219 ( 1.787 0.000 2.652) 3.198 18.309 ( 0.493 0.000 1.732) 1.801 18.385 ( 3.181 0.000 4.105) 5.193 18.543 ( -1.969 0.000 9.010) 9.223 18.607 ( -0.842 0.000 12.005) 12.035 18.770 ( -0.244 0.000 1.744) 1.761 18.831 ( 0.160 0.000 -1.874) 1.881 18.937 ( -1.152 0.000 5.730) 5.845 18.947 ( -0.628 0.000 2.374) 2.456 19.426 ( -0.350 -0.000 -1.839) 1.872 19.441 ( -1.218 0.000 -2.113) 2.439 19.455 ( 1.910 0.000 -2.067) 2.815 19.494 ( 1.091 0.000 -0.912) 1.422 19.598 ( 0.881 0.000 -3.232) 3.349 19.613 ( -0.067 0.000 -1.784) 1.786 19.659 ( -1.671 0.000 -3.948) 4.288 19.684 ( -0.929 -0.000 -2.823) 2.972 20.023 ( 2.154 -0.000 2.169) 3.057 20.026 ( 2.632 0.000 2.041) 3.331 20.082 ( -0.455 0.000 2.407) 2.449 20.090 ( -0.071 0.000 2.709) 2.710 29.660 ( 0.214 0.000 1.729) 1.742 29.668 ( 0.231 -0.000 2.112) 2.125 29.818 ( 0.405 -0.000 -0.466) 0.617 29.830 ( 0.751 0.000 -0.584) 0.952 29.877 ( -1.520 0.000 -1.458) 2.106 29.895 ( -1.216 0.000 -1.280) 1.766 29.991 ( 0.591 0.000 -1.866) 1.957 29.992 ( 0.530 0.000 -1.940) 2.011 30.664 ( -0.015 0.000 0.592) 0.592 30.666 ( -0.015 0.000 0.672) 0.672 30.782 ( -0.019 0.000 -1.665) 1.665 30.785 ( -0.023 0.000 -1.715) 1.715 31.641 ( 2.428 -0.000 9.594) 9.897 31.642 ( 2.621 0.000 7.651) 8.088 31.735 ( -1.291 0.000 8.812) 8.906 31.744 ( -1.171 -0.000 8.225) 8.308 31.916 ( -0.733 -0.000 2.608) 2.709 31.951 ( -0.870 0.000 1.524) 1.755 31.973 ( -0.044 0.000 5.042) 5.042 31.981 ( -0.217 -0.000 3.356) 3.363 32.405 ( 0.397 -0.000 -3.133) 3.158 32.428 ( 0.606 0.000 -1.572) 1.685 32.588 ( -2.276 0.000 -2.420) 3.322 32.634 ( -2.475 -0.000 -1.242) 2.770 32.967 ( -0.229 0.000 0.419) 0.477 32.980 ( -0.338 0.000 -1.565) 1.602 33.030 ( 2.139 0.000 2.009) 2.935 33.067 ( 1.704 0.000 4.649) 4.951 33.355 ( -0.013 0.000 -6.093) 6.093 33.415 ( -2.366 0.000 -4.353) 4.954 33.486 ( 5.720 0.000 -4.083) 7.027 33.546 ( 3.537 -0.000 -2.252) 4.193 34.374 ( -1.623 0.000 8.753) 8.902 34.376 ( -1.586 -0.000 8.760) 8.902 35.156 ( -4.431 0.000 0.293) 4.441 35.177 ( -0.659 0.000 2.954) 3.026 35.207 ( -6.794 0.000 -2.246) 7.156 35.215 ( -11.044 0.000 -3.797) 11.678 35.454 ( 1.624 -0.000 -0.983) 1.898 35.480 ( 1.472 0.000 0.340) 1.511 36.120 ( 1.383 0.000 -8.246) 8.361 36.249 ( -2.220 0.000 -6.419) 6.792 36.277 ( 1.913 0.000 -7.351) 7.596 36.347 ( -0.732 0.000 -7.021) 7.059 36.815 ( 9.873 0.000 1.045) 9.928 36.864 ( 10.243 0.000 1.494) 10.352 37.294 ( -3.409 0.000 -4.695) 5.802 37.325 ( -2.666 -0.000 -4.052) 4.850 ======================= Grid point 54 (24/48) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -9.540 -0.000 5.333) 10.929 1.982 ( 9.540 0.000 5.333) 10.929 2.238 ( -2.390 0.000 3.841) 4.524 2.238 ( 2.390 -0.000 3.841) 4.524 2.362 ( -6.202 -0.000 6.633) 9.081 2.362 ( 6.202 0.000 6.633) 9.081 2.405 ( -14.428 0.000 -3.212) 14.781 2.405 ( 14.428 0.000 -3.212) 14.781 2.628 ( -5.425 -0.000 -7.391) 9.169 2.628 ( 5.425 0.000 -7.391) 9.169 2.742 ( -11.616 0.000 5.410) 12.814 2.742 ( 11.616 -0.000 5.410) 12.814 3.084 ( -14.704 -0.000 12.254) 19.141 3.084 ( 14.704 -0.000 12.254) 19.141 3.098 ( -1.870 0.000 -2.919) 3.467 3.098 ( 1.870 0.000 -2.919) 3.467 3.236 ( -3.789 0.000 2.415) 4.493 3.236 ( 3.789 0.000 2.415) 4.493 3.431 ( -1.782 0.000 5.229) 5.524 3.431 ( 1.782 0.000 5.229) 5.524 3.499 ( -0.146 -0.000 2.623) 2.627 3.499 ( 0.146 0.000 2.623) 2.627 3.572 ( -7.929 0.000 1.742) 8.118 3.572 ( 7.929 0.000 1.742) 8.118 3.686 ( -2.037 0.000 4.138) 4.612 3.686 ( 2.037 0.000 4.138) 4.612 3.877 ( -3.578 0.000 0.843) 3.676 3.877 ( 3.578 0.000 0.843) 3.676 4.160 ( -4.134 0.000 -5.113) 6.575 4.160 ( 4.134 -0.000 -5.113) 6.575 4.341 ( -1.049 -0.000 0.221) 1.072 4.341 ( 1.049 -0.000 0.221) 1.072 4.391 ( -3.390 0.000 -1.698) 3.792 4.391 ( 3.390 0.000 -1.698) 3.792 4.467 ( -4.408 0.000 -1.068) 4.536 4.467 ( 4.408 -0.000 -1.068) 4.536 4.513 ( -1.850 0.000 -2.716) 3.287 4.513 ( 1.850 0.000 -2.716) 3.287 4.599 ( -4.867 -0.000 -7.874) 9.257 4.599 ( 4.867 -0.000 -7.874) 9.257 4.730 ( -0.004 0.000 3.788) 3.788 4.730 ( 0.004 0.000 3.788) 3.788 4.923 ( -0.836 -0.000 4.545) 4.621 4.923 ( 0.836 0.000 4.545) 4.621 4.965 ( -0.291 0.000 0.397) 0.492 4.965 ( 0.291 0.000 0.397) 0.492 5.115 ( -0.271 -0.000 -6.076) 6.082 5.115 ( 0.271 0.000 -6.076) 6.082 5.241 ( -1.032 0.000 4.256) 4.379 5.241 ( 1.032 0.000 4.256) 4.379 5.298 ( -0.074 0.000 0.952) 0.955 5.298 ( 0.074 0.000 0.952) 0.955 5.454 ( -1.631 0.000 5.971) 6.189 5.454 ( 1.631 0.000 5.971) 6.189 5.515 ( -2.947 0.000 10.988) 11.376 5.515 ( 2.947 0.000 10.988) 11.376 5.615 ( -3.583 0.000 -2.530) 4.386 5.615 ( 3.583 0.000 -2.530) 4.386 5.719 ( -1.579 0.000 -3.438) 3.783 5.719 ( 1.579 0.000 -3.438) 3.783 5.869 ( -2.851 0.000 -2.663) 3.901 5.869 ( 2.851 0.000 -2.663) 3.901 5.935 ( -2.414 0.000 0.733) 2.522 5.935 ( 2.414 0.000 0.733) 2.522 6.351 ( -4.066 0.000 7.453) 8.490 6.351 ( 4.066 0.000 7.453) 8.490 6.362 ( -2.400 0.000 1.350) 2.754 6.362 ( 2.400 -0.000 1.350) 2.754 6.922 ( -2.503 0.000 -10.385) 10.682 6.922 ( 2.503 0.000 -10.385) 10.682 7.076 ( -1.325 0.000 -1.523) 2.019 7.076 ( 1.325 0.000 -1.523) 2.019 8.562 ( -1.118 0.000 5.316) 5.432 8.562 ( 1.118 0.000 5.316) 5.432 8.865 ( -1.744 0.000 -2.607) 3.137 8.865 ( 1.744 0.000 -2.607) 3.137 8.974 ( -0.946 0.000 -6.190) 6.262 8.974 ( 0.946 0.000 -6.190) 6.262 9.076 ( -2.555 0.000 3.729) 4.520 9.076 ( 2.555 0.000 3.729) 4.520 9.265 ( -1.081 0.000 -0.721) 1.300 9.265 ( 1.081 0.000 -0.721) 1.300 9.438 ( -0.291 0.000 -1.634) 1.660 9.438 ( 0.291 0.000 -1.634) 1.660 9.492 ( -3.943 0.000 0.276) 3.953 9.492 ( 3.943 -0.000 0.276) 3.953 9.611 ( -0.922 0.000 -4.800) 4.887 9.611 ( 0.922 0.000 -4.800) 4.887 9.703 ( -1.710 0.000 -3.208) 3.635 9.703 ( 1.710 0.000 -3.208) 3.635 9.869 ( -0.530 0.000 1.057) 1.183 9.869 ( 0.530 0.000 1.057) 1.183 10.079 ( -1.180 0.000 -14.234) 14.283 10.079 ( 1.180 0.000 -14.234) 14.283 10.258 ( -0.165 0.000 -1.960) 1.967 10.258 ( 0.165 0.000 -1.960) 1.967 10.770 ( -6.607 0.000 7.462) 9.967 10.770 ( 6.607 0.000 7.462) 9.967 10.859 ( -6.610 -0.000 -4.728) 8.127 10.859 ( 6.610 0.000 -4.728) 8.127 10.892 ( -5.713 0.000 -0.112) 5.714 10.892 ( 5.713 -0.000 -0.112) 5.714 11.086 ( -1.023 0.000 4.422) 4.538 11.086 ( 1.023 0.000 4.422) 4.538 11.131 ( -3.664 0.000 9.034) 9.748 11.131 ( 3.664 0.000 9.034) 9.748 11.387 ( -1.946 0.000 2.744) 3.364 11.387 ( 1.946 0.000 2.744) 3.364 11.625 ( -2.250 0.000 -3.654) 4.291 11.625 ( 2.250 0.000 -3.654) 4.291 12.095 ( -1.764 0.000 -3.941) 4.318 12.095 ( 1.764 0.000 -3.941) 4.318 12.861 ( -0.244 0.000 1.290) 1.313 12.861 ( 0.244 0.000 1.290) 1.313 12.948 ( -0.313 -0.000 -0.603) 0.679 12.948 ( 0.313 0.000 -0.603) 0.679 13.113 ( -0.667 0.000 2.581) 2.665 13.113 ( 0.667 0.000 2.581) 2.665 13.152 ( -0.459 0.000 -1.938) 1.992 13.152 ( 0.459 0.000 -1.938) 1.992 13.324 ( -0.146 0.000 -4.316) 4.319 13.324 ( 0.146 0.000 -4.316) 4.319 13.518 ( -0.476 0.000 0.440) 0.648 13.518 ( 0.476 0.000 0.440) 0.648 13.591 ( -0.203 0.000 -7.033) 7.035 13.591 ( 0.203 0.000 -7.033) 7.035 13.661 ( -0.746 0.000 0.759) 1.064 13.661 ( 0.746 0.000 0.759) 1.064 13.872 ( -3.496 0.000 -4.985) 6.089 13.872 ( 3.496 0.000 -4.985) 6.089 13.954 ( -1.002 0.000 -0.886) 1.337 13.954 ( 1.002 0.000 -0.886) 1.337 14.115 ( -2.633 0.000 -3.772) 4.601 14.115 ( 2.633 0.000 -3.772) 4.601 14.203 ( -1.618 0.000 -1.440) 2.166 14.203 ( 1.618 0.000 -1.440) 2.166 15.129 ( -0.474 0.000 9.955) 9.966 15.129 ( 0.474 0.000 9.955) 9.966 15.605 ( -0.561 0.000 -0.005) 0.561 15.605 ( 0.561 0.000 -0.005) 0.561 15.987 ( -1.174 0.000 -1.781) 2.133 15.987 ( 1.174 0.000 -1.781) 2.133 16.341 ( -0.195 0.000 -4.778) 4.781 16.341 ( 0.195 0.000 -4.778) 4.781 17.444 ( -0.178 0.000 1.664) 1.673 17.444 ( 0.178 0.000 1.664) 1.673 17.558 ( -1.416 0.000 -0.945) 1.702 17.558 ( 1.416 0.000 -0.945) 1.702 17.635 ( -1.414 0.000 1.214) 1.863 17.635 ( 1.414 0.000 1.214) 1.863 17.834 ( -0.656 0.000 -0.853) 1.076 17.834 ( 0.656 0.000 -0.853) 1.076 17.915 ( -1.208 0.000 1.903) 2.254 17.915 ( 1.208 0.000 1.903) 2.254 17.978 ( -0.544 0.000 1.489) 1.586 17.978 ( 0.544 0.000 1.489) 1.586 18.111 ( -0.346 0.000 -3.826) 3.842 18.111 ( 0.346 0.000 -3.826) 3.842 18.203 ( -1.905 0.000 -1.166) 2.233 18.203 ( 1.905 0.000 -1.166) 2.233 18.370 ( -3.814 0.000 5.294) 6.524 18.370 ( 3.814 0.000 5.294) 6.524 18.566 ( -2.855 0.000 11.663) 12.007 18.566 ( 2.855 0.000 11.663) 12.007 18.796 ( -2.480 0.000 -1.535) 2.916 18.796 ( 2.480 0.000 -1.535) 2.916 18.934 ( -0.584 0.000 4.340) 4.379 18.934 ( 0.584 0.000 4.340) 4.379 19.424 ( -0.317 0.000 -2.302) 2.324 19.424 ( 0.317 0.000 -2.302) 2.324 19.495 ( -1.311 0.000 -1.460) 1.962 19.495 ( 1.311 0.000 -1.460) 1.962 19.611 ( -0.112 0.000 -4.141) 4.142 19.611 ( 0.112 0.000 -4.141) 4.142 19.653 ( -1.547 -0.000 -2.523) 2.960 19.653 ( 1.547 0.000 -2.523) 2.960 20.063 ( -1.456 0.000 2.156) 2.601 20.063 ( 1.456 0.000 2.156) 2.601 20.075 ( -1.615 0.000 2.254) 2.773 20.075 ( 1.615 0.000 2.254) 2.773 29.667 ( -0.315 0.000 1.787) 1.815 29.667 ( 0.315 0.000 1.787) 1.815 29.833 ( -0.756 0.000 -0.271) 0.803 29.833 ( 0.756 0.000 -0.271) 0.803 29.868 ( -0.989 0.000 -1.316) 1.647 29.868 ( 0.989 0.000 -1.316) 1.647 29.998 ( -0.024 0.000 -1.981) 1.981 29.998 ( 0.024 0.000 -1.981) 1.981 30.665 ( -0.068 0.000 0.663) 0.667 30.665 ( 0.068 0.000 0.663) 0.667 30.783 ( -0.097 0.000 -1.563) 1.566 30.783 ( 0.097 0.000 -1.563) 1.566 31.690 ( -0.753 0.000 8.649) 8.682 31.690 ( 0.753 0.000 8.649) 8.682 31.709 ( -1.009 0.000 8.639) 8.698 31.709 ( 1.009 -0.000 8.639) 8.698 31.919 ( -1.180 0.000 0.646) 1.345 31.919 ( 1.180 -0.000 0.646) 1.345 31.979 ( -0.115 0.000 4.813) 4.814 31.979 ( 0.115 0.000 4.813) 4.814 32.422 ( -1.014 0.000 -2.287) 2.502 32.422 ( 1.014 0.000 -2.287) 2.502 32.580 ( -1.715 0.000 -0.585) 1.812 32.580 ( 1.715 0.000 -0.585) 1.812 32.973 ( -0.427 0.000 -1.416) 1.479 32.973 ( 0.427 0.000 -1.416) 1.479 33.071 ( -1.240 0.000 3.474) 3.689 33.071 ( 1.240 0.000 3.474) 3.689 33.371 ( -1.542 0.000 -5.084) 5.313 33.371 ( 1.542 0.000 -5.084) 5.313 33.577 ( -1.644 0.000 -3.719) 4.066 33.577 ( 1.644 0.000 -3.719) 4.066 34.355 ( -0.084 0.000 7.506) 7.507 34.355 ( 0.084 0.000 7.506) 7.507 35.062 ( -1.006 0.000 -3.638) 3.775 35.062 ( 1.006 0.000 -3.638) 3.775 35.173 ( -0.080 0.000 1.794) 1.796 35.173 ( 0.080 0.000 1.794) 1.796 35.482 ( -0.923 0.000 0.100) 0.928 35.482 ( 0.923 0.000 0.100) 0.928 36.186 ( -3.723 0.000 -4.280) 5.673 36.186 ( 3.723 0.000 -4.280) 5.673 36.317 ( -1.897 0.000 -5.337) 5.664 36.317 ( 1.897 0.000 -5.337) 5.664 36.973 ( -2.413 0.000 -1.328) 2.754 36.973 ( 2.413 0.000 -1.328) 2.754 37.259 ( -1.874 0.000 -5.064) 5.400 37.259 ( 1.874 0.000 -5.064) 5.400 ======================= Grid point 70 (25/48) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 0.000 0.000 30.367) 30.367 1.436 ( 0.000 0.000 35.080) 35.080 1.726 ( 0.000 0.000 10.773) 10.773 1.792 ( 0.000 0.000 1.619) 1.619 2.029 ( 0.000 0.000 -1.157) 1.157 2.063 ( 0.000 0.000 -5.759) 5.759 2.108 ( 0.000 0.000 -4.351) 4.351 2.409 ( 0.000 0.000 3.877) 3.877 2.498 ( 0.000 0.000 -3.248) 3.248 2.591 ( 0.000 0.000 -4.814) 4.814 2.629 ( 0.000 0.000 16.695) 16.695 2.672 ( 0.000 0.000 -7.078) 7.078 2.749 ( 0.000 0.000 -1.162) 1.162 2.810 ( 0.000 0.000 -10.139) 10.139 2.814 ( 0.000 0.000 5.480) 5.480 3.001 ( 0.000 0.000 8.814) 8.814 3.047 ( 0.000 0.000 -3.205) 3.205 3.132 ( 0.000 0.000 -13.396) 13.396 3.277 ( 0.000 0.000 9.076) 9.076 3.332 ( 0.000 0.000 3.082) 3.082 3.335 ( 0.000 0.000 4.678) 4.678 3.375 ( 0.000 0.000 6.248) 6.248 3.517 ( 0.000 0.000 -5.931) 5.931 3.649 ( 0.000 0.000 6.943) 6.943 3.789 ( 0.000 0.000 7.901) 7.901 3.985 ( 0.000 0.000 3.388) 3.388 4.003 ( 0.000 0.000 0.492) 0.492 4.027 ( 0.000 0.000 6.810) 6.810 4.099 ( 0.000 0.000 -8.065) 8.065 4.166 ( 0.000 0.000 13.899) 13.899 4.171 ( 0.000 0.000 10.700) 10.700 4.223 ( 0.000 0.000 -11.543) 11.543 4.257 ( 0.000 0.000 -1.652) 1.652 4.398 ( 0.000 0.000 2.648) 2.648 4.524 ( 0.000 0.000 3.742) 3.742 4.551 ( 0.000 0.000 -0.750) 0.750 4.601 ( 0.000 0.000 2.004) 2.004 4.628 ( 0.000 0.000 -1.243) 1.243 4.782 ( 0.000 0.000 7.771) 7.771 4.879 ( 0.000 0.000 7.022) 7.022 4.884 ( 0.000 0.000 0.496) 0.496 4.929 ( 0.000 0.000 10.254) 10.254 4.959 ( 0.000 0.000 -12.750) 12.750 4.978 ( 0.000 0.000 -5.328) 5.328 5.126 ( 0.000 0.000 -3.722) 3.722 5.127 ( 0.000 0.000 0.110) 0.110 5.138 ( 0.000 0.000 -2.742) 2.742 5.190 ( 0.000 0.000 2.158) 2.158 5.231 ( 0.000 0.000 -3.975) 3.975 5.233 ( 0.000 0.000 -4.426) 4.426 5.360 ( 0.000 0.000 -1.211) 1.211 5.375 ( 0.000 0.000 8.696) 8.696 5.394 ( 0.000 0.000 -7.764) 7.764 5.446 ( 0.000 0.000 -8.939) 8.939 5.509 ( 0.000 0.000 2.309) 2.309 5.599 ( 0.000 0.000 3.679) 3.679 5.643 ( 0.000 0.000 2.589) 2.589 5.654 ( 0.000 0.000 7.524) 7.524 5.997 ( 0.000 0.000 -6.775) 6.775 6.010 ( 0.000 0.000 0.261) 0.261 6.025 ( 0.000 0.000 3.871) 3.871 6.199 ( 0.000 0.000 7.805) 7.805 6.290 ( 0.000 0.000 -7.245) 7.245 6.296 ( 0.000 0.000 9.051) 9.051 6.305 ( 0.000 0.000 16.733) 16.733 6.321 ( 0.000 0.000 -8.015) 8.015 6.414 ( 0.000 0.000 -8.199) 8.199 6.537 ( 0.000 0.000 18.297) 18.297 6.674 ( 0.000 0.000 -6.603) 6.603 6.725 ( 0.000 0.000 -3.111) 3.111 6.755 ( 0.000 0.000 -27.248) 27.248 7.520 ( 0.000 0.000 -19.257) 19.257 8.550 ( 0.000 0.000 5.922) 5.922 8.614 ( 0.000 0.000 3.276) 3.276 8.660 ( 0.000 0.000 7.859) 7.859 8.749 ( 0.000 0.000 3.344) 3.344 8.842 ( 0.000 0.000 -13.865) 13.865 8.945 ( 0.000 0.000 -2.295) 2.295 8.972 ( 0.000 0.000 7.144) 7.144 8.996 ( 0.000 0.000 -9.665) 9.665 9.176 ( 0.000 0.000 -12.716) 12.716 9.184 ( 0.000 0.000 3.253) 3.253 9.234 ( 0.000 0.000 -2.934) 2.934 9.248 ( 0.000 0.000 -5.599) 5.599 9.412 ( 0.000 0.000 4.504) 4.504 9.451 ( 0.000 0.000 -1.236) 1.236 9.591 ( 0.000 0.000 -6.209) 6.209 9.624 ( 0.000 0.000 -5.771) 5.771 9.680 ( 0.000 0.000 4.205) 4.205 9.833 ( 0.000 0.000 0.034) 0.034 9.882 ( 0.000 0.000 -2.167) 2.167 9.887 ( 0.000 0.000 -1.519) 1.519 9.896 ( 0.000 0.000 2.428) 2.428 9.936 ( 0.000 0.000 2.114) 2.114 10.217 ( 0.000 0.000 -2.534) 2.534 10.290 ( 0.000 0.000 0.741) 0.741 10.398 ( 0.000 0.000 -2.921) 2.921 10.451 ( 0.000 0.000 -1.456) 1.456 10.476 ( 0.000 0.000 4.532) 4.532 10.720 ( 0.000 0.000 -7.114) 7.114 10.903 ( 0.000 0.000 6.343) 6.343 10.913 ( 0.000 0.000 -1.233) 1.233 10.921 ( 0.000 0.000 -0.284) 0.284 11.037 ( 0.000 0.000 -2.362) 2.362 11.238 ( 0.000 0.000 12.639) 12.639 11.547 ( 0.000 0.000 13.245) 13.245 11.577 ( 0.000 0.000 4.642) 4.642 11.599 ( 0.000 0.000 -0.918) 0.918 11.629 ( 0.000 0.000 3.895) 3.895 11.678 ( 0.000 0.000 2.820) 2.820 11.965 ( 0.000 0.000 -23.231) 23.231 12.156 ( 0.000 0.000 -8.511) 8.511 12.915 ( 0.000 0.000 3.210) 3.210 12.918 ( 0.000 0.000 0.727) 0.727 13.003 ( 0.000 0.000 -4.739) 4.739 13.056 ( 0.000 0.000 4.446) 4.446 13.091 ( 0.000 0.000 -4.825) 4.825 13.187 ( 0.000 0.000 -2.225) 2.225 13.224 ( 0.000 0.000 1.036) 1.036 13.275 ( 0.000 0.000 0.801) 0.801 13.281 ( 0.000 0.000 -1.796) 1.796 13.322 ( 0.000 0.000 3.580) 3.580 13.345 ( 0.000 0.000 -3.158) 3.158 13.430 ( 0.000 0.000 3.010) 3.010 13.587 ( 0.000 0.000 -8.908) 8.908 13.611 ( 0.000 0.000 -5.833) 5.833 13.682 ( 0.000 0.000 4.925) 4.925 13.726 ( 0.000 0.000 -0.454) 0.454 13.754 ( 0.000 0.000 0.908) 0.908 13.838 ( 0.000 0.000 4.503) 4.503 13.893 ( 0.000 0.000 -5.403) 5.403 13.955 ( 0.000 0.000 0.705) 0.705 14.026 ( 0.000 0.000 -4.253) 4.253 14.059 ( 0.000 0.000 -4.164) 4.164 14.126 ( 0.000 0.000 2.928) 2.928 14.177 ( 0.000 0.000 -0.284) 0.284 15.225 ( 0.000 0.000 12.614) 12.614 15.572 ( 0.000 0.000 -4.816) 4.816 15.621 ( 0.000 0.000 1.848) 1.848 15.657 ( 0.000 0.000 0.713) 0.713 16.146 ( 0.000 0.000 0.088) 0.088 16.168 ( 0.000 0.000 2.184) 2.184 16.175 ( 0.000 0.000 -1.460) 1.460 16.374 ( 0.000 0.000 -6.707) 6.707 17.553 ( 0.000 0.000 0.126) 0.126 17.570 ( 0.000 0.000 0.383) 0.383 17.583 ( 0.000 0.000 -0.596) 0.596 17.601 ( 0.000 0.000 -1.523) 1.523 17.640 ( 0.000 0.000 2.137) 2.137 17.684 ( 0.000 0.000 1.178) 1.178 17.719 ( 0.000 0.000 2.016) 2.016 17.755 ( 0.000 0.000 -0.004) 0.004 17.912 ( 0.000 0.000 -0.773) 0.773 17.944 ( 0.000 0.000 0.847) 0.847 17.979 ( 0.000 0.000 -2.945) 2.945 18.031 ( 0.000 0.000 -2.449) 2.449 18.079 ( 0.000 0.000 1.328) 1.328 18.080 ( 0.000 0.000 -0.451) 0.451 18.088 ( 0.000 0.000 6.407) 6.407 18.267 ( 0.000 0.000 0.573) 0.573 18.415 ( 0.000 0.000 12.394) 12.394 18.482 ( 0.000 0.000 1.552) 1.552 18.579 ( 0.000 0.000 -0.058) 0.058 18.724 ( 0.000 0.000 9.929) 9.929 18.801 ( 0.000 0.000 7.737) 7.737 18.850 ( 0.000 0.000 -8.030) 8.030 18.897 ( 0.000 0.000 3.595) 3.595 18.944 ( 0.000 0.000 -2.645) 2.645 19.356 ( 0.000 0.000 0.607) 0.607 19.406 ( 0.000 0.000 -1.075) 1.075 19.459 ( 0.000 0.000 -3.578) 3.578 19.497 ( 0.000 0.000 -4.509) 4.509 19.558 ( 0.000 0.000 2.617) 2.617 19.622 ( 0.000 0.000 2.909) 2.909 19.703 ( 0.000 0.000 -0.227) 0.227 19.778 ( 0.000 0.000 -9.035) 9.035 19.928 ( 0.000 0.000 0.872) 0.872 19.962 ( 0.000 0.000 -0.713) 0.713 20.106 ( 0.000 0.000 2.033) 2.033 20.203 ( 0.000 0.000 -2.213) 2.213 29.703 ( 0.000 0.000 3.507) 3.507 29.802 ( 0.000 0.000 1.713) 1.713 29.805 ( 0.000 0.000 -2.415) 2.415 29.869 ( 0.000 0.000 -1.318) 1.318 29.874 ( 0.000 0.000 2.505) 2.505 29.878 ( 0.000 0.000 -2.349) 2.349 29.937 ( 0.000 0.000 -3.524) 3.524 29.981 ( 0.000 0.000 -2.417) 2.417 30.661 ( 0.000 0.000 0.056) 0.056 30.671 ( 0.000 0.000 -0.328) 0.328 30.674 ( 0.000 0.000 0.656) 0.656 30.695 ( 0.000 0.000 -0.331) 0.331 31.602 ( 0.000 0.000 3.772) 3.772 31.608 ( 0.000 0.000 3.582) 3.582 31.691 ( 0.000 0.000 0.069) 0.069 31.713 ( 0.000 0.000 -1.755) 1.755 31.841 ( 0.000 0.000 6.654) 6.654 32.010 ( 0.000 0.000 8.725) 8.725 32.012 ( 0.000 0.000 -3.329) 3.329 32.169 ( 0.000 0.000 8.049) 8.049 32.173 ( 0.000 0.000 13.011) 13.011 32.312 ( 0.000 0.000 -1.301) 1.301 32.379 ( 0.000 0.000 15.334) 15.334 32.479 ( 0.000 0.000 -9.937) 9.937 32.674 ( 0.000 0.000 -9.541) 9.541 32.982 ( 0.000 0.000 -1.401) 1.401 33.035 ( 0.000 0.000 -15.398) 15.398 33.120 ( 0.000 0.000 -5.890) 5.890 33.627 ( 0.000 0.000 5.283) 5.283 33.640 ( 0.000 0.000 9.466) 9.466 33.927 ( 0.000 0.000 -8.904) 8.904 33.945 ( 0.000 0.000 -5.997) 5.997 34.295 ( 0.000 0.000 1.138) 1.138 34.300 ( 0.000 0.000 1.107) 1.107 34.630 ( 0.000 0.000 8.075) 8.075 34.841 ( 0.000 0.000 -2.750) 2.750 35.302 ( 0.000 0.000 0.489) 0.489 35.328 ( 0.000 0.000 4.785) 4.785 35.339 ( 0.000 0.000 -0.935) 0.935 35.558 ( 0.000 0.000 -6.381) 6.381 35.972 ( 0.000 0.000 1.574) 1.574 36.004 ( 0.000 0.000 7.785) 7.785 36.272 ( 0.000 0.000 -10.746) 10.746 36.367 ( 0.000 0.000 -10.030) 10.030 36.574 ( 0.000 0.000 9.985) 9.985 36.914 ( 0.000 0.000 -7.366) 7.366 37.370 ( 0.000 0.000 12.316) 12.316 37.959 ( 0.000 0.000 -16.360) 16.360 ======================= Grid point 71 (26/48) ======================= q-point: ( 0.25 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( 15.184 0.000 26.015) 30.122 1.471 ( 9.821 0.000 24.715) 26.594 1.866 ( 11.965 0.000 7.673) 14.214 2.014 ( 1.143 0.000 -2.357) 2.619 2.115 ( 10.861 0.000 2.169) 11.075 2.226 ( 11.949 0.000 -6.861) 13.779 2.278 ( 10.500 0.000 7.286) 12.781 2.303 ( -17.781 0.000 9.623) 20.218 2.439 ( 4.084 0.000 0.246) 4.091 2.508 ( -9.908 0.000 2.767) 10.287 2.593 ( 5.055 0.000 -6.780) 8.457 2.686 ( 5.116 0.000 3.782) 6.362 2.765 ( -1.220 0.000 4.747) 4.901 2.832 ( 4.740 0.000 1.640) 5.016 2.912 ( 9.121 0.000 -6.869) 11.418 2.998 ( -3.319 0.000 -3.584) 4.885 3.077 ( -1.571 0.000 -7.445) 7.609 3.132 ( 5.939 0.000 -7.007) 9.185 3.202 ( -8.355 0.000 5.390) 9.943 3.205 ( 5.334 0.000 17.757) 18.541 3.436 ( -4.154 0.000 0.484) 4.183 3.505 ( -5.391 0.000 0.872) 5.461 3.566 ( 4.173 0.000 -0.485) 4.201 3.580 ( 13.872 0.000 5.979) 15.106 3.748 ( -16.784 0.000 0.708) 16.799 3.895 ( -5.556 0.000 -2.609) 6.137 3.939 ( 5.542 0.000 8.081) 9.799 4.027 ( -3.278 0.000 -6.160) 6.978 4.101 ( 1.713 0.000 1.216) 2.100 4.162 ( 1.008 0.000 6.613) 6.690 4.225 ( 8.448 0.000 7.907) 11.571 4.248 ( -9.015 0.000 -2.823) 9.447 4.361 ( 6.803 0.000 4.161) 7.975 4.377 ( -8.955 0.000 11.047) 14.220 4.437 ( -6.310 0.000 0.097) 6.311 4.528 ( -2.087 0.000 2.808) 3.499 4.613 ( 0.999 0.000 3.048) 3.208 4.616 ( 2.823 0.000 0.139) 2.826 4.706 ( -0.341 0.000 0.554) 0.650 4.752 ( 0.630 0.000 2.896) 2.963 4.785 ( -7.628 0.000 2.817) 8.131 4.908 ( -8.110 0.000 4.588) 9.318 4.932 ( -5.020 0.000 -11.325) 12.388 5.005 ( 0.671 0.000 -2.347) 2.441 5.016 ( -1.949 0.000 -4.909) 5.281 5.111 ( -6.357 0.000 1.062) 6.445 5.122 ( -6.608 0.000 -3.254) 7.366 5.156 ( -0.826 0.000 -2.083) 2.241 5.244 ( -3.545 0.000 2.899) 4.579 5.249 ( 3.121 0.000 -0.191) 3.127 5.307 ( -0.570 0.000 -0.080) 0.576 5.421 ( 7.164 0.000 3.686) 8.057 5.473 ( -3.265 0.000 2.547) 4.141 5.531 ( 6.803 0.000 -3.232) 7.532 5.556 ( 5.998 0.000 -2.630) 6.549 5.583 ( 3.968 0.000 0.395) 3.988 5.644 ( 3.300 0.000 2.641) 4.227 5.715 ( 2.847 0.000 -1.842) 3.391 5.844 ( -7.001 0.000 -6.803) 9.762 5.903 ( -10.450 0.000 -1.015) 10.500 6.072 ( 0.154 0.000 7.316) 7.318 6.203 ( -2.074 0.000 6.007) 6.355 6.237 ( -0.839 0.000 -6.033) 6.091 6.283 ( -1.538 0.000 8.232) 8.375 6.317 ( 1.751 0.000 4.139) 4.495 6.340 ( 0.670 0.000 7.504) 7.534 6.459 ( 1.842 0.000 -6.872) 7.115 6.548 ( 1.404 0.000 11.456) 11.542 6.630 ( -5.222 0.000 -8.486) 9.964 6.636 ( -2.809 0.000 -4.517) 5.319 6.937 ( 12.179 0.000 -19.999) 23.415 7.426 ( -8.583 0.000 -18.905) 20.762 8.567 ( 1.438 0.000 6.509) 6.666 8.626 ( 1.233 0.000 3.447) 3.661 8.646 ( -1.466 0.000 8.330) 8.458 8.714 ( -2.483 0.000 2.294) 3.381 8.886 ( 3.279 0.000 -12.306) 12.735 8.913 ( 1.551 0.000 1.017) 1.854 8.995 ( -0.791 0.000 -9.868) 9.900 9.044 ( 0.257 0.000 0.658) 0.706 9.172 ( 0.876 0.000 -9.223) 9.264 9.215 ( 2.985 0.000 1.199) 3.216 9.248 ( -1.021 0.000 -3.139) 3.300 9.252 ( 1.259 0.000 0.711) 1.446 9.422 ( 1.602 0.000 3.469) 3.821 9.554 ( 8.730 0.000 -7.046) 11.219 9.591 ( -1.506 0.000 -4.493) 4.739 9.663 ( 2.894 0.000 -6.001) 6.663 9.736 ( 4.117 0.000 2.877) 5.023 9.803 ( -2.130 0.000 -0.929) 2.324 9.826 ( -1.965 0.000 -0.459) 2.018 9.836 ( -2.897 0.000 -1.975) 3.506 9.927 ( 1.436 0.000 0.693) 1.595 10.082 ( 11.301 0.000 -4.127) 12.031 10.219 ( -8.229 0.000 5.375) 9.829 10.269 ( 4.625 0.000 -1.785) 4.957 10.381 ( 1.907 0.000 -3.273) 3.788 10.423 ( -2.852 0.000 -1.374) 3.166 10.486 ( -0.583 0.000 -0.459) 0.741 10.657 ( -7.392 0.000 -9.836) 12.303 10.893 ( -1.729 0.000 -0.258) 1.748 10.896 ( -0.282 0.000 3.648) 3.659 10.914 ( -0.684 0.000 -0.001) 0.684 10.927 ( -6.339 0.000 -0.021) 6.339 11.299 ( 5.027 0.000 15.774) 16.555 11.498 ( -3.762 0.000 16.260) 16.690 11.604 ( 2.302 0.000 2.509) 3.405 11.605 ( 1.516 0.000 0.558) 1.616 11.652 ( 1.044 0.000 3.257) 3.420 11.691 ( -0.009 0.000 2.482) 2.482 12.045 ( 5.349 0.000 -18.248) 19.016 12.174 ( 0.904 0.000 -12.831) 12.863 12.910 ( 0.338 0.000 2.110) 2.137 12.933 ( 0.428 0.000 2.305) 2.344 13.007 ( 0.520 0.000 -4.788) 4.816 13.063 ( -2.242 0.000 -3.057) 3.791 13.077 ( 2.058 0.000 4.005) 4.503 13.196 ( -2.375 0.000 0.724) 2.482 13.232 ( 4.459 0.000 -2.551) 5.137 13.289 ( 0.455 0.000 1.856) 1.911 13.305 ( 2.049 0.000 -5.035) 5.436 13.308 ( -0.725 0.000 3.773) 3.842 13.358 ( 0.783 0.000 -2.732) 2.842 13.434 ( 1.059 0.000 2.120) 2.369 13.525 ( -5.514 0.000 -6.408) 8.454 13.595 ( -0.469 0.000 -7.007) 7.023 13.614 ( -5.435 0.000 3.671) 6.559 13.696 ( -2.836 0.000 -1.939) 3.436 13.764 ( 0.964 0.000 1.702) 1.956 13.823 ( -1.320 0.000 3.862) 4.082 13.884 ( -0.059 0.000 -4.690) 4.690 13.970 ( -3.539 0.000 -2.418) 4.286 14.009 ( 4.214 0.000 0.774) 4.284 14.087 ( 2.382 0.000 -2.986) 3.820 14.156 ( -2.027 0.000 0.082) 2.029 14.158 ( 0.850 0.000 -0.288) 0.898 15.288 ( 5.675 0.000 11.699) 13.003 15.586 ( -6.235 0.000 4.611) 7.755 15.587 ( 1.264 0.000 -3.584) 3.800 15.621 ( -0.064 0.000 1.023) 1.025 16.131 ( -0.793 0.000 0.707) 1.062 16.154 ( -1.217 0.000 1.838) 2.204 16.190 ( 1.727 0.000 -2.209) 2.804 16.335 ( -3.539 0.000 -5.805) 6.799 17.552 ( -0.001 0.000 -0.086) 0.086 17.563 ( -0.407 0.000 0.122) 0.424 17.572 ( -0.770 0.000 -0.796) 1.107 17.579 ( -1.425 0.000 -1.116) 1.811 17.659 ( 1.480 0.000 2.553) 2.951 17.712 ( -0.727 0.000 2.280) 2.393 17.716 ( 2.323 0.000 0.631) 2.407 17.764 ( 0.458 0.000 -0.367) 0.587 17.927 ( 1.145 0.000 -0.086) 1.148 17.952 ( 0.384 0.000 0.179) 0.424 17.977 ( -0.230 0.000 -1.169) 1.192 18.018 ( -1.262 0.000 -2.357) 2.673 18.077 ( 1.183 0.000 1.839) 2.187 18.099 ( 2.102 0.000 1.061) 2.355 18.128 ( 1.079 0.000 1.810) 2.107 18.235 ( -2.882 0.000 0.109) 2.885 18.446 ( 3.835 0.000 11.915) 12.518 18.557 ( 6.623 0.000 1.999) 6.918 18.618 ( 0.742 0.000 4.008) 4.076 18.717 ( 0.941 0.000 8.448) 8.500 18.799 ( -0.431 0.000 7.132) 7.145 18.823 ( -3.276 0.000 -1.512) 3.608 18.904 ( 0.974 0.000 -1.426) 1.727 18.942 ( -0.245 0.000 -2.931) 2.942 19.365 ( 1.314 0.000 -0.721) 1.499 19.383 ( -1.125 0.000 -0.868) 1.421 19.486 ( -3.662 0.000 -0.440) 3.688 19.486 ( 2.445 0.000 -2.176) 3.273 19.521 ( -3.670 0.000 1.131) 3.841 19.602 ( 2.276 0.000 -5.229) 5.703 19.638 ( -4.691 0.000 -0.446) 4.712 19.765 ( -2.257 0.000 -8.085) 8.394 19.980 ( 4.187 0.000 1.163) 4.345 20.005 ( 3.087 0.000 0.008) 3.087 20.096 ( -1.059 0.000 1.699) 2.002 20.159 ( -3.698 0.000 -0.726) 3.769 29.716 ( 1.224 0.000 2.631) 2.902 29.801 ( -0.004 0.000 0.462) 0.462 29.807 ( -0.051 0.000 -0.588) 0.590 29.808 ( -3.034 0.000 -0.632) 3.099 29.884 ( 0.916 0.000 1.255) 1.554 29.929 ( -0.777 0.000 -2.754) 2.861 29.931 ( 2.349 0.000 -2.450) 3.394 29.979 ( -0.221 0.000 -2.447) 2.457 30.663 ( 0.132 0.000 0.139) 0.192 30.672 ( -0.230 0.000 0.560) 0.606 30.674 ( 0.290 0.000 -0.349) 0.454 30.690 ( -0.363 0.000 -0.332) 0.492 31.594 ( 0.044 0.000 4.255) 4.255 31.614 ( -0.151 0.000 3.810) 3.813 31.700 ( 0.710 0.000 -0.770) 1.047 31.718 ( 0.224 0.000 -1.552) 1.568 31.935 ( 8.188 0.000 5.271) 9.737 32.029 ( 1.726 0.000 8.764) 8.932 32.072 ( 4.552 0.000 -0.785) 4.619 32.158 ( 0.564 0.000 5.959) 5.986 32.169 ( -0.963 0.000 9.926) 9.973 32.301 ( 0.781 0.000 9.628) 9.659 32.416 ( 2.321 0.000 6.856) 7.238 32.472 ( -0.586 0.000 -7.574) 7.596 32.580 ( -10.049 0.000 -4.962) 11.208 32.822 ( -15.616 0.000 3.001) 15.902 32.975 ( 1.112 0.000 -13.409) 13.456 33.187 ( -0.638 0.000 -11.665) 11.682 33.573 ( -4.395 0.000 6.241) 7.633 33.604 ( 0.967 0.000 1.278) 1.603 33.715 ( -12.144 0.000 3.110) 12.536 33.869 ( -6.859 0.000 -3.978) 7.929 34.315 ( 5.737 0.000 3.803) 6.883 34.411 ( 10.271 0.000 -1.134) 10.334 34.643 ( -3.586 0.000 7.982) 8.750 34.828 ( -3.348 0.000 -2.016) 3.908 35.249 ( -3.979 0.000 2.286) 4.589 35.284 ( -2.423 0.000 0.927) 2.594 35.289 ( -4.395 0.000 2.365) 4.991 35.343 ( -5.916 0.000 -2.646) 6.481 35.989 ( 5.454 0.000 6.791) 8.710 36.177 ( 0.446 0.000 2.436) 2.476 36.343 ( 4.715 0.000 -8.985) 10.147 36.390 ( 1.728 0.000 -8.661) 8.831 36.976 ( 6.094 0.000 -3.948) 7.261 37.005 ( 31.318 0.000 -10.950) 33.178 37.308 ( -5.913 0.000 10.313) 11.888 37.854 ( -10.078 0.000 -16.350) 19.207 ======================= Grid point 72 (27/48) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.792 ( -17.674 0.000 10.405) 20.510 1.792 ( 17.674 0.000 10.405) 20.510 1.840 ( -22.718 0.000 15.907) 27.733 1.840 ( 22.718 0.000 15.907) 27.733 2.157 ( -14.810 0.000 1.295) 14.867 2.157 ( 14.810 0.000 1.295) 14.867 2.291 ( -6.329 0.000 5.054) 8.099 2.291 ( 6.329 0.000 5.054) 8.099 2.525 ( -4.089 0.000 6.651) 7.807 2.525 ( 4.089 0.000 6.651) 7.807 2.776 ( -0.531 0.000 -1.363) 1.463 2.776 ( 0.531 0.000 -1.363) 1.463 2.823 ( -11.664 0.000 1.042) 11.710 2.823 ( 11.664 0.000 1.042) 11.710 2.997 ( -9.253 0.000 -9.622) 13.349 2.997 ( 9.253 0.000 -9.622) 13.349 3.106 ( -4.881 0.000 0.342) 4.893 3.106 ( 4.881 0.000 0.342) 4.893 3.180 ( -12.849 0.000 -3.767) 13.390 3.180 ( 12.849 0.000 -3.767) 13.390 3.496 ( -6.998 0.000 0.978) 7.066 3.496 ( 6.998 0.000 0.978) 7.066 3.602 ( -11.722 0.000 -3.587) 12.258 3.602 ( 11.722 0.000 -3.587) 12.258 3.735 ( -25.717 0.000 19.031) 31.993 3.735 ( 25.717 0.000 19.031) 31.993 3.934 ( -6.611 0.000 2.767) 7.167 3.934 ( 6.611 0.000 2.767) 7.167 4.131 ( -6.594 0.000 1.348) 6.731 4.131 ( 6.594 0.000 1.348) 6.731 4.160 ( -6.825 0.000 0.409) 6.837 4.160 ( 6.825 0.000 0.409) 6.837 4.388 ( -6.282 0.000 1.766) 6.526 4.388 ( 6.282 0.000 1.766) 6.526 4.504 ( -3.111 0.000 1.653) 3.523 4.504 ( 3.111 0.000 1.653) 3.523 4.667 ( -2.082 0.000 1.623) 2.640 4.667 ( 2.082 0.000 1.623) 2.640 4.682 ( -3.647 0.000 3.727) 5.214 4.682 ( 3.647 0.000 3.727) 5.214 4.742 ( -5.454 0.000 3.187) 6.317 4.742 ( 5.454 0.000 3.187) 6.317 4.932 ( -8.484 0.000 -2.834) 8.945 4.932 ( 8.484 0.000 -2.834) 8.945 5.051 ( -0.785 0.000 -5.140) 5.200 5.051 ( 0.785 0.000 -5.140) 5.200 5.066 ( -3.095 0.000 -3.774) 4.881 5.066 ( 3.095 0.000 -3.774) 4.881 5.220 ( -3.423 0.000 1.295) 3.659 5.220 ( 3.423 0.000 1.295) 3.659 5.357 ( -6.698 0.000 4.613) 8.133 5.357 ( 6.698 0.000 4.613) 8.133 5.602 ( -5.806 0.000 1.794) 6.077 5.602 ( 5.806 0.000 1.794) 6.077 5.683 ( -3.052 0.000 -4.675) 5.583 5.683 ( 3.052 0.000 -4.675) 5.583 5.703 ( -4.755 0.000 -2.263) 5.266 5.703 ( 4.755 0.000 -2.263) 5.266 5.733 ( -1.930 0.000 -3.152) 3.696 5.733 ( 1.930 0.000 -3.152) 3.696 6.110 ( -4.875 0.000 6.879) 8.431 6.110 ( 4.875 0.000 6.879) 8.431 6.249 ( -1.511 0.000 0.965) 1.793 6.249 ( 1.511 0.000 0.965) 1.793 6.341 ( -0.283 0.000 9.060) 9.064 6.341 ( 0.283 0.000 9.060) 9.064 6.520 ( -4.742 0.000 -7.323) 8.724 6.520 ( 4.742 0.000 -7.323) 8.724 6.587 ( -2.019 0.000 0.872) 2.199 6.587 ( 2.019 0.000 0.872) 2.199 7.200 ( -12.607 0.000 -18.886) 22.707 7.200 ( 12.607 0.000 -18.886) 22.707 8.605 ( -2.153 0.000 7.785) 8.077 8.605 ( 2.153 0.000 7.785) 8.077 8.663 ( -2.277 0.000 3.079) 3.830 8.663 ( 2.277 0.000 3.079) 3.830 8.954 ( -2.978 0.000 -11.292) 11.678 8.954 ( 2.978 0.000 -11.292) 11.678 8.986 ( -4.364 0.000 -0.386) 4.381 8.986 ( 4.364 0.000 -0.386) 4.381 9.212 ( -2.222 0.000 -4.116) 4.677 9.212 ( 2.222 0.000 -4.116) 4.677 9.263 ( -0.776 0.000 2.557) 2.672 9.263 ( 0.776 0.000 2.557) 2.672 9.501 ( -5.713 0.000 -0.547) 5.739 9.501 ( 5.713 0.000 -0.547) 5.739 9.697 ( -2.232 0.000 -8.921) 9.196 9.697 ( 2.232 0.000 -8.921) 9.196 9.774 ( -1.171 0.000 -1.322) 1.766 9.774 ( 1.171 0.000 -1.322) 1.766 9.800 ( -2.192 0.000 -1.003) 2.411 9.800 ( 2.192 0.000 -1.003) 2.411 10.028 ( -8.585 0.000 4.331) 9.615 10.028 ( 8.585 0.000 4.331) 9.615 10.312 ( -7.600 0.000 -3.536) 8.383 10.312 ( 7.600 0.000 -3.536) 8.383 10.431 ( -11.024 0.000 -7.252) 13.195 10.431 ( 11.024 0.000 -7.252) 13.195 10.444 ( -3.161 0.000 -2.388) 3.961 10.444 ( 3.161 0.000 -2.388) 3.961 10.869 ( -0.472 0.000 0.757) 0.892 10.869 ( 0.472 0.000 0.757) 0.892 10.899 ( -0.597 0.000 0.921) 1.098 10.899 ( 0.597 0.000 0.921) 1.098 11.407 ( -5.006 0.000 17.957) 18.641 11.407 ( 5.006 0.000 17.957) 18.641 11.648 ( -1.475 0.000 2.195) 2.645 11.648 ( 1.475 0.000 2.195) 2.645 11.657 ( -2.843 0.000 1.723) 3.325 11.657 ( 2.843 0.000 1.723) 3.325 12.145 ( -3.818 0.000 -14.405) 14.902 12.145 ( 3.818 0.000 -14.405) 14.902 12.926 ( -0.919 0.000 2.484) 2.648 12.926 ( 0.919 0.000 2.484) 2.648 13.026 ( -1.301 0.000 -4.045) 4.249 13.026 ( 1.301 0.000 -4.045) 4.249 13.135 ( -3.271 0.000 2.261) 3.977 13.135 ( 3.271 0.000 2.261) 3.977 13.294 ( -0.675 0.000 2.954) 3.031 13.294 ( 0.675 0.000 2.954) 3.031 13.324 ( -2.553 0.000 -4.738) 5.382 13.324 ( 2.553 0.000 -4.738) 5.382 13.398 ( -5.591 0.000 -4.649) 7.271 13.398 ( 5.591 0.000 -4.649) 7.271 13.499 ( -5.011 0.000 2.258) 5.497 13.499 ( 5.011 0.000 2.258) 5.497 13.625 ( -3.304 0.000 -5.010) 6.002 13.625 ( 3.304 0.000 -5.010) 6.002 13.791 ( -1.577 0.000 2.714) 3.139 13.791 ( 1.577 0.000 2.714) 3.139 13.908 ( -2.299 0.000 -2.866) 3.674 13.908 ( 2.299 0.000 -2.866) 3.674 14.096 ( -3.753 0.000 0.545) 3.793 14.096 ( 3.753 0.000 0.545) 3.793 14.140 ( -2.241 0.000 -1.697) 2.811 14.140 ( 2.241 0.000 -1.697) 2.811 15.434 ( -7.858 0.000 9.385) 12.241 15.434 ( 7.858 0.000 9.385) 12.241 15.612 ( -0.930 0.000 -1.058) 1.409 15.612 ( 0.930 0.000 -1.058) 1.409 16.130 ( -0.746 0.000 1.209) 1.421 16.130 ( 0.746 0.000 1.209) 1.421 16.251 ( -3.988 0.000 -3.961) 5.621 16.251 ( 3.988 0.000 -3.961) 5.621 17.558 ( -0.599 0.000 -0.637) 0.875 17.558 ( 0.599 0.000 -0.637) 0.875 17.561 ( -0.243 0.000 -0.477) 0.536 17.561 ( 0.243 0.000 -0.477) 0.536 17.690 ( -1.376 0.000 2.654) 2.990 17.690 ( 1.376 0.000 2.654) 2.990 17.757 ( -1.344 0.000 -0.035) 1.345 17.757 ( 1.344 0.000 -0.035) 1.345 17.948 ( -0.758 0.000 0.144) 0.772 17.948 ( 0.758 0.000 0.144) 0.772 17.987 ( -1.316 0.000 -1.206) 1.785 17.987 ( 1.316 0.000 -1.206) 1.785 18.114 ( -1.859 0.000 1.479) 2.375 18.114 ( 1.859 0.000 1.479) 2.375 18.163 ( -3.716 0.000 0.184) 3.720 18.163 ( 3.716 0.000 0.184) 3.720 18.554 ( -5.419 0.000 10.458) 11.779 18.554 ( 5.419 0.000 10.458) 11.779 18.711 ( -7.231 0.000 2.065) 7.520 18.711 ( 7.231 0.000 2.065) 7.520 18.770 ( -2.535 0.000 6.384) 6.869 18.770 ( 2.535 0.000 6.384) 6.869 18.929 ( -1.078 0.000 -3.186) 3.364 18.929 ( 1.078 0.000 -3.186) 3.364 19.401 ( -3.119 0.000 -1.503) 3.462 19.401 ( 3.119 0.000 -1.503) 3.462 19.426 ( -4.526 0.000 -1.328) 4.716 19.426 ( 4.526 0.000 -1.328) 4.716 19.551 ( -3.689 0.000 -0.500) 3.723 19.551 ( 3.689 0.000 -0.500) 3.723 19.689 ( -4.698 0.000 -7.544) 8.887 19.689 ( 4.698 0.000 -7.544) 8.887 20.062 ( -2.249 0.000 0.926) 2.432 20.062 ( 2.249 0.000 0.926) 2.432 20.072 ( -4.497 0.000 0.736) 4.557 20.072 ( 4.497 0.000 0.736) 4.557 29.753 ( -2.287 0.000 0.957) 2.479 29.753 ( 2.287 0.000 0.957) 2.479 29.803 ( -0.216 0.000 0.174) 0.277 29.803 ( 0.216 0.000 0.174) 0.277 29.907 ( -1.231 0.000 -0.938) 1.548 29.907 ( 1.231 0.000 -0.938) 1.548 29.967 ( -1.101 0.000 -2.530) 2.759 29.967 ( 1.101 0.000 -2.530) 2.759 30.666 ( -0.241 0.000 0.344) 0.420 30.666 ( 0.241 0.000 0.344) 0.420 30.682 ( -0.419 0.000 -0.356) 0.550 30.682 ( 0.419 0.000 -0.356) 0.550 31.603 ( -0.688 0.000 4.244) 4.299 31.603 ( 0.688 0.000 4.244) 4.299 31.715 ( -0.538 0.000 -1.426) 1.524 31.715 ( 0.538 0.000 -1.426) 1.524 32.073 ( -2.297 0.000 7.724) 8.058 32.073 ( 2.297 0.000 7.724) 8.058 32.103 ( -6.069 0.000 4.353) 7.469 32.103 ( 6.069 0.000 4.353) 7.469 32.322 ( -12.748 0.000 -1.602) 12.848 32.322 ( 12.748 0.000 -1.602) 12.848 32.395 ( -6.439 0.000 18.159) 19.267 32.395 ( 6.439 0.000 18.159) 19.267 32.513 ( -7.955 0.000 -6.689) 10.394 32.513 ( 7.955 0.000 -6.689) 10.394 33.079 ( -7.255 0.000 -13.388) 15.227 33.079 ( 7.255 0.000 -13.388) 15.227 33.562 ( -3.624 0.000 5.231) 6.364 33.562 ( 3.624 0.000 5.231) 6.364 33.709 ( -7.690 0.000 -2.933) 8.230 33.709 ( 7.690 0.000 -2.933) 8.230 34.488 ( -9.538 0.000 6.657) 11.632 34.488 ( 9.538 0.000 6.657) 11.632 34.656 ( -11.989 0.000 -2.034) 12.160 34.656 ( 11.989 0.000 -2.034) 12.160 35.233 ( -1.926 0.000 1.182) 2.260 35.233 ( 1.926 0.000 1.182) 2.260 35.271 ( -2.108 0.000 -0.392) 2.144 35.271 ( 2.108 0.000 -0.392) 2.144 36.111 ( -5.439 0.000 5.301) 7.595 36.111 ( 5.439 0.000 5.301) 7.595 36.404 ( -0.980 0.000 -8.121) 8.180 36.404 ( 0.980 0.000 -8.121) 8.180 37.145 ( -9.166 0.000 4.239) 10.099 37.145 ( 9.166 0.000 4.239) 10.099 37.546 ( -20.251 0.000 -17.080) 26.493 37.546 ( 20.251 0.000 -17.080) 26.493 ======================= Grid point 75 (28/48) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( 0.000 14.115 16.521) 21.730 1.581 ( 0.000 12.968 30.423) 33.071 1.887 ( 0.000 1.821 -6.070) 6.337 1.921 ( 0.000 16.792 9.449) 19.268 2.062 ( 0.000 13.821 3.397) 14.233 2.161 ( 0.000 4.960 -0.493) 4.984 2.178 ( 0.000 5.049 -2.045) 5.447 2.480 ( 0.000 7.288 8.679) 11.333 2.488 ( 0.000 -2.599 -6.813) 7.292 2.578 ( 0.000 -2.102 5.719) 6.093 2.647 ( 0.000 2.226 3.589) 4.223 2.666 ( 0.000 5.242 -10.333) 11.587 2.769 ( 0.000 7.820 15.123) 17.025 2.854 ( 0.000 1.320 -9.035) 9.131 2.918 ( 0.000 -0.972 1.752) 2.004 2.987 ( 0.000 0.592 -1.458) 1.574 3.014 ( 0.000 8.112 -1.421) 8.236 3.249 ( 0.000 7.071 -9.205) 11.608 3.271 ( 0.000 4.516 7.057) 8.378 3.371 ( 0.000 -1.542 0.370) 1.585 3.426 ( 0.000 11.617 9.226) 14.835 3.503 ( 0.000 5.872 7.161) 9.261 3.605 ( 0.000 6.576 -3.242) 7.331 3.684 ( 0.000 3.056 6.512) 7.193 3.775 ( 0.000 -3.338 8.482) 9.115 3.931 ( 0.000 -1.486 2.145) 2.609 3.952 ( 0.000 -4.526 1.365) 4.727 3.996 ( 0.000 1.462 -6.795) 6.951 4.011 ( 0.000 -4.756 4.488) 6.540 4.142 ( 0.000 -0.367 1.186) 1.242 4.225 ( 0.000 -1.007 -1.119) 1.505 4.282 ( 0.000 -1.666 -3.056) 3.481 4.312 ( 0.000 6.724 5.027) 8.395 4.438 ( 0.000 5.940 2.043) 6.281 4.457 ( 0.000 -4.019 -1.211) 4.198 4.550 ( 0.000 2.281 6.678) 7.057 4.610 ( 0.000 1.225 -1.071) 1.627 4.682 ( 0.000 -9.734 4.306) 10.644 4.731 ( 0.000 2.213 -0.488) 2.266 4.798 ( 0.000 -11.203 -2.390) 11.455 4.820 ( 0.000 -4.983 3.420) 6.044 4.862 ( 0.000 -5.179 6.041) 7.958 4.881 ( 0.000 -1.536 1.127) 1.905 5.008 ( 0.000 -16.599 -2.613) 16.803 5.023 ( 0.000 6.660 -3.921) 7.728 5.043 ( 0.000 -9.361 -1.254) 9.445 5.106 ( 0.000 -3.496 0.962) 3.626 5.159 ( 0.000 3.131 -0.514) 3.172 5.200 ( 0.000 3.250 -5.819) 6.665 5.292 ( 0.000 2.156 -1.002) 2.377 5.312 ( 0.000 4.236 4.264) 6.010 5.351 ( 0.000 0.040 0.301) 0.304 5.443 ( 0.000 -7.303 4.492) 8.573 5.483 ( 0.000 3.338 -3.504) 4.839 5.560 ( 0.000 -1.683 -0.150) 1.690 5.603 ( 0.000 7.311 -2.042) 7.591 5.614 ( 0.000 -6.342 0.160) 6.344 5.682 ( 0.000 3.798 2.463) 4.527 5.858 ( 0.000 -10.711 -0.739) 10.736 5.989 ( 0.000 -1.399 -3.932) 4.174 6.029 ( 0.000 -2.370 9.505) 9.796 6.073 ( 0.000 -9.679 5.843) 11.306 6.167 ( 0.000 -6.334 -3.067) 7.037 6.274 ( 0.000 0.000 -1.530) 1.530 6.375 ( 0.000 4.291 4.035) 5.890 6.403 ( 0.000 5.346 12.427) 13.528 6.508 ( 0.000 -3.343 12.717) 13.149 6.520 ( 0.000 -0.023 -11.335) 11.335 6.654 ( 0.000 1.745 -13.990) 14.098 6.703 ( 0.000 -0.761 -0.304) 0.820 6.804 ( 0.000 5.609 -14.092) 15.167 7.384 ( 0.000 -12.109 -13.910) 18.442 8.625 ( 0.000 -0.365 3.952) 3.969 8.625 ( 0.000 5.199 1.521) 5.417 8.713 ( 0.000 9.255 2.835) 9.680 8.808 ( 0.000 -2.287 -10.543) 10.788 8.868 ( 0.000 3.673 -1.210) 3.867 8.916 ( 0.000 -1.747 1.013) 2.019 8.980 ( 0.000 0.747 1.694) 1.851 9.023 ( 0.000 6.764 -5.209) 8.538 9.174 ( 0.000 -0.659 2.672) 2.752 9.202 ( 0.000 0.653 -4.733) 4.777 9.250 ( 0.000 0.583 -2.655) 2.718 9.260 ( 0.000 2.549 -4.377) 5.065 9.434 ( 0.000 -1.405 -0.765) 1.600 9.460 ( 0.000 2.541 -0.810) 2.667 9.564 ( 0.000 -3.379 -2.711) 4.332 9.579 ( 0.000 -2.439 0.427) 2.476 9.652 ( 0.000 -0.226 -0.848) 0.878 9.814 ( 0.000 -2.448 0.188) 2.455 9.846 ( 0.000 -3.859 0.866) 3.955 9.875 ( 0.000 -1.375 -3.621) 3.874 9.922 ( 0.000 3.977 -4.379) 5.916 9.942 ( 0.000 -0.770 -0.208) 0.797 10.224 ( 0.000 -1.378 3.043) 3.340 10.306 ( 0.000 3.843 -0.881) 3.943 10.473 ( 0.000 5.447 -1.554) 5.664 10.489 ( 0.000 1.263 4.199) 4.385 10.658 ( 0.000 11.470 -8.617) 14.346 10.730 ( 0.000 2.169 -5.836) 6.226 10.883 ( 0.000 -0.242 2.170) 2.183 10.912 ( 0.000 0.691 -0.407) 0.802 10.945 ( 0.000 3.673 4.434) 5.758 11.037 ( 0.000 -0.221 -1.300) 1.319 11.236 ( 0.000 0.703 9.639) 9.665 11.521 ( 0.000 -4.868 0.675) 4.915 11.552 ( 0.000 -0.844 6.688) 6.741 11.553 ( 0.000 -0.745 1.772) 1.922 11.615 ( 0.000 1.438 8.121) 8.247 11.684 ( 0.000 -3.282 4.398) 5.488 12.047 ( 0.000 3.169 -24.746) 24.948 12.137 ( 0.000 -1.867 -7.385) 7.618 12.888 ( 0.000 -2.152 2.617) 3.388 12.905 ( 0.000 -0.990 1.058) 1.449 13.000 ( 0.000 -0.429 -4.377) 4.398 13.035 ( 0.000 -4.053 -4.139) 5.793 13.077 ( 0.000 1.268 3.434) 3.661 13.178 ( 0.000 -3.830 0.636) 3.883 13.222 ( 0.000 3.566 -3.426) 4.945 13.245 ( 0.000 -2.854 -1.630) 3.287 13.286 ( 0.000 0.165 1.618) 1.626 13.328 ( 0.000 -0.432 2.722) 2.756 13.360 ( 0.000 1.042 -2.029) 2.281 13.452 ( 0.000 2.324 0.399) 2.358 13.534 ( 0.000 -3.708 -6.249) 7.266 13.551 ( 0.000 -3.734 -3.123) 4.868 13.687 ( 0.000 -3.077 -1.012) 3.239 13.738 ( 0.000 3.795 2.276) 4.425 13.753 ( 0.000 -1.152 0.904) 1.465 13.865 ( 0.000 1.672 2.040) 2.638 13.882 ( 0.000 -0.610 -4.453) 4.495 13.954 ( 0.000 0.299 -0.747) 0.805 14.020 ( 0.000 -0.446 -3.361) 3.390 14.091 ( 0.000 2.425 -3.854) 4.553 14.099 ( 0.000 -2.334 2.606) 3.499 14.169 ( 0.000 -0.997 -1.940) 2.181 15.237 ( 0.000 1.153 12.076) 12.131 15.532 ( 0.000 -8.138 5.907) 10.056 15.570 ( 0.000 -0.080 -4.704) 4.704 15.635 ( 0.000 -1.238 -0.327) 1.280 16.043 ( 0.000 -5.039 2.285) 5.533 16.135 ( 0.000 -3.058 2.550) 3.982 16.210 ( 0.000 0.651 -5.014) 5.056 16.354 ( 0.000 -1.999 -6.871) 7.156 17.529 ( 0.000 -1.519 2.037) 2.541 17.571 ( 0.000 -1.144 -0.192) 1.160 17.597 ( 0.000 -0.505 -1.187) 1.290 17.602 ( 0.000 1.150 -0.648) 1.320 17.654 ( 0.000 0.920 0.904) 1.290 17.664 ( 0.000 -0.356 1.057) 1.116 17.705 ( 0.000 -0.952 1.948) 2.168 17.769 ( 0.000 0.771 -0.693) 1.036 17.904 ( 0.000 -0.403 0.213) 0.456 17.950 ( 0.000 0.241 0.873) 0.906 17.995 ( 0.000 0.937 -4.336) 4.436 18.031 ( 0.000 0.027 -2.583) 2.583 18.065 ( 0.000 -1.289 0.485) 1.377 18.074 ( 0.000 -0.935 6.498) 6.565 18.097 ( 0.000 1.722 0.030) 1.722 18.259 ( 0.000 -0.785 -0.390) 0.877 18.409 ( 0.000 -0.337 12.210) 12.215 18.471 ( 0.000 -0.907 3.470) 3.587 18.607 ( 0.000 2.491 -0.811) 2.619 18.728 ( 0.000 0.540 8.542) 8.559 18.817 ( 0.000 1.495 8.230) 8.364 18.857 ( 0.000 0.546 -5.808) 5.834 18.915 ( 0.000 1.795 3.528) 3.958 18.992 ( 0.000 3.722 -2.110) 4.278 19.364 ( 0.000 0.819 0.279) 0.866 19.398 ( 0.000 -0.730 -0.513) 0.892 19.460 ( 0.000 -0.000 -3.641) 3.641 19.498 ( 0.000 -0.276 -4.278) 4.287 19.541 ( 0.000 -1.194 1.798) 2.159 19.590 ( 0.000 -2.438 2.591) 3.558 19.683 ( 0.000 -1.910 -0.939) 2.128 19.737 ( 0.000 -3.629 -8.347) 9.101 19.942 ( 0.000 1.717 1.891) 2.554 20.006 ( 0.000 3.478 -0.856) 3.581 20.101 ( 0.000 -0.413 2.705) 2.737 20.187 ( 0.000 -1.362 -0.119) 1.367 29.701 ( 0.000 -0.193 3.674) 3.679 29.800 ( 0.000 -0.259 1.232) 1.259 29.808 ( 0.000 0.215 -2.184) 2.195 29.823 ( 0.000 -3.255 1.173) 3.460 29.873 ( 0.000 0.521 -1.688) 1.766 29.894 ( 0.000 0.053 -0.364) 0.368 29.923 ( 0.000 -1.239 -3.298) 3.523 29.974 ( 0.000 -0.553 -2.561) 2.620 30.660 ( 0.000 0.226 0.563) 0.606 30.685 ( 0.000 0.607 0.508) 0.791 30.691 ( 0.000 1.557 -0.898) 1.798 30.714 ( 0.000 1.740 -0.840) 1.932 31.651 ( 0.000 4.681 3.629) 5.923 31.686 ( 0.000 7.530 4.148) 8.597 31.726 ( 0.000 3.410 0.746) 3.491 31.737 ( 0.000 2.212 3.759) 4.362 31.924 ( 0.000 4.931 4.752) 6.848 32.001 ( 0.000 -0.777 8.913) 8.947 32.048 ( 0.000 5.995 -0.983) 6.075 32.149 ( 0.000 -1.637 8.243) 8.403 32.219 ( 0.000 2.825 11.894) 12.225 32.326 ( 0.000 1.145 -2.556) 2.801 32.400 ( 0.000 2.569 9.056) 9.413 32.505 ( 0.000 2.308 -9.472) 9.749 32.680 ( 0.000 1.251 -8.213) 8.308 32.996 ( 0.000 1.536 0.108) 1.540 33.017 ( 0.000 -1.178 -15.076) 15.122 33.145 ( 0.000 2.052 -4.731) 5.157 33.469 ( 0.000 -12.640 8.854) 15.432 33.561 ( 0.000 -7.629 7.545) 10.730 33.693 ( 0.000 -11.600 -1.521) 11.699 33.849 ( 0.000 -9.425 -6.404) 11.394 34.364 ( 0.000 7.991 6.378) 10.224 34.651 ( 0.000 1.832 9.751) 9.922 34.717 ( 0.000 24.307 -13.871) 27.986 34.909 ( 0.000 6.685 -3.278) 7.446 35.279 ( 0.000 -1.058 2.446) 2.665 35.329 ( 0.000 0.136 4.011) 4.014 35.386 ( 0.000 3.028 -2.374) 3.848 35.528 ( 0.000 -2.974 -6.485) 7.135 35.955 ( 0.000 -1.393 0.109) 1.398 35.974 ( 0.000 -2.486 4.814) 5.418 36.238 ( 0.000 -3.425 -11.371) 11.875 36.313 ( 0.000 -5.271 -10.381) 11.642 36.598 ( 0.000 2.649 9.802) 10.154 36.938 ( 0.000 2.630 -7.439) 7.890 37.294 ( 0.000 -7.550 11.449) 13.714 37.817 ( 0.000 -13.140 -13.374) 18.748 ======================= Grid point 76 (29/48) ======================= q-point: ( 0.25 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 11.037 8.159 19.548) 23.886 1.704 ( 7.999 18.557 17.438) 26.691 1.974 ( 5.960 8.798 2.650) 10.952 2.065 ( 6.274 7.044 -0.022) 9.433 2.188 ( -0.834 -0.582 -1.803) 2.070 2.255 ( 10.058 9.414 0.130) 13.777 2.299 ( 2.280 1.900 9.203) 9.670 2.349 ( 4.599 4.230 4.626) 7.774 2.478 ( 0.836 2.811 3.066) 4.243 2.530 ( -3.336 4.825 3.359) 6.760 2.628 ( 1.736 2.405 0.935) 3.110 2.754 ( 6.350 6.031 -2.754) 9.181 2.832 ( 5.897 3.059 -1.963) 6.927 2.924 ( -1.450 10.436 1.846) 10.697 2.952 ( -1.760 -0.800 1.894) 2.707 3.030 ( 8.991 4.902 1.147) 10.304 3.085 ( 2.769 5.349 1.326) 6.167 3.131 ( 2.242 2.603 -3.890) 5.190 3.300 ( 0.539 6.155 2.133) 6.537 3.335 ( -5.704 8.530 3.493) 10.840 3.465 ( 0.487 1.846 -4.179) 4.594 3.528 ( -5.218 2.258 1.476) 5.875 3.549 ( 1.304 1.250 4.220) 4.590 3.606 ( 3.613 2.454 9.155) 10.143 3.765 ( -10.128 3.549 2.585) 11.039 3.849 ( -1.784 -5.656 -0.298) 5.938 3.938 ( -1.950 0.263 1.638) 2.560 4.032 ( 5.117 -6.396 5.718) 9.990 4.078 ( 1.674 -1.079 -3.701) 4.203 4.118 ( 3.216 2.968 1.007) 4.491 4.198 ( -5.062 -0.402 -1.988) 5.454 4.303 ( -0.009 0.427 8.697) 8.707 4.356 ( -0.203 -0.272 -2.835) 2.855 4.398 ( -5.304 -0.545 3.932) 6.625 4.423 ( -9.667 5.114 5.756) 12.359 4.471 ( 0.845 -5.328 -1.776) 5.679 4.556 ( -4.476 -3.153 4.096) 6.837 4.656 ( 0.877 1.789 2.250) 3.005 4.686 ( -5.378 -7.177 -0.243) 8.972 4.758 ( -4.399 -2.987 4.374) 6.885 4.762 ( -2.437 -2.029 -5.197) 6.088 4.785 ( -3.951 -7.637 -0.265) 8.603 4.879 ( 0.073 -0.903 -6.667) 6.728 4.959 ( 1.622 -1.768 -0.514) 2.454 5.038 ( -0.035 2.104 1.528) 2.601 5.119 ( -0.117 1.461 -1.827) 2.342 5.136 ( 4.024 -1.867 -0.302) 4.446 5.182 ( 0.870 0.107 -0.611) 1.068 5.249 ( 4.011 2.834 3.837) 6.233 5.307 ( 1.967 1.146 4.054) 4.649 5.360 ( 3.692 -0.682 4.841) 6.126 5.383 ( -2.963 -3.538 4.671) 6.567 5.419 ( 1.074 3.279 -2.861) 4.482 5.503 ( 0.872 -2.025 -1.475) 2.652 5.536 ( 2.335 -2.223 1.060) 3.394 5.619 ( 1.050 -0.431 -3.213) 3.407 5.628 ( 1.374 -5.081 -0.894) 5.339 5.676 ( -0.038 0.678 -3.449) 3.515 5.811 ( -8.508 0.433 -6.336) 10.617 5.831 ( -4.820 -6.928 0.690) 8.468 6.033 ( -2.974 -9.262 3.643) 10.387 6.079 ( 0.729 -2.204 5.957) 6.394 6.183 ( -4.581 -4.317 -0.501) 6.315 6.261 ( 4.445 -4.520 -2.091) 6.675 6.333 ( -3.085 -0.257 8.911) 9.433 6.398 ( -3.485 1.374 -1.410) 4.002 6.470 ( -1.136 2.423 2.763) 3.847 6.482 ( -0.717 -2.255 7.830) 8.180 6.675 ( 1.668 5.504 -1.766) 6.016 6.766 ( -1.758 7.991 -7.310) 10.972 6.873 ( 10.716 -5.527 -16.033) 20.061 7.304 ( -7.362 -10.884 -13.731) 19.005 8.626 ( 0.366 0.600 4.352) 4.408 8.650 ( 1.773 6.017 2.253) 6.665 8.691 ( -1.053 5.850 3.322) 6.809 8.809 ( -1.811 3.121 -2.526) 4.405 8.864 ( 0.918 0.492 -4.424) 4.545 8.922 ( 1.261 -3.104 -2.706) 4.306 8.966 ( 0.695 2.356 -3.566) 4.330 9.041 ( -1.410 0.545 -2.625) 3.029 9.165 ( 0.650 0.643 -1.716) 1.944 9.218 ( -1.214 0.688 1.449) 2.012 9.281 ( 4.640 2.376 -2.074) 5.611 9.321 ( 3.099 3.053 -6.041) 7.444 9.451 ( -0.330 1.986 1.257) 2.373 9.500 ( 4.614 -3.106 -3.797) 6.734 9.594 ( 2.515 -0.511 -2.379) 3.500 9.622 ( 3.598 -2.554 -0.528) 4.443 9.682 ( 1.386 -3.018 -0.511) 3.360 9.749 ( -3.885 -3.692 -0.768) 5.414 9.827 ( -1.724 -1.231 -2.994) 3.667 9.865 ( -1.884 1.784 -2.501) 3.604 9.901 ( 2.482 -2.099 -1.093) 3.429 10.066 ( 7.641 -1.137 -1.786) 7.929 10.195 ( -3.924 -2.276 3.252) 5.581 10.335 ( 2.858 4.529 -1.236) 5.496 10.378 ( -2.924 2.444 1.494) 4.093 10.557 ( 2.092 6.293 -1.832) 6.880 10.612 ( -4.888 10.015 -6.108) 12.709 10.668 ( -5.132 1.515 -8.388) 9.949 10.876 ( -0.477 1.831 1.708) 2.549 10.896 ( -1.275 0.559 0.526) 1.488 10.937 ( -0.254 3.868 1.663) 4.218 10.994 ( -3.006 4.727 -2.478) 6.125 11.301 ( 5.346 0.296 12.681) 13.765 11.503 ( -0.463 -1.980 6.825) 7.122 11.544 ( -1.190 -3.088 11.338) 11.811 11.587 ( 0.720 -2.608 3.577) 4.485 11.608 ( 1.965 -0.882 0.407) 2.191 11.708 ( 0.839 -1.260 2.777) 3.162 12.090 ( 2.063 1.407 -17.793) 17.967 12.134 ( 0.165 -4.123 -12.666) 13.321 12.896 ( 0.652 -1.656 2.451) 3.029 12.909 ( 0.226 -1.487 1.284) 1.977 13.004 ( 0.361 -0.659 -4.495) 4.557 13.024 ( -0.951 -2.886 -3.720) 4.803 13.091 ( 1.178 1.010 3.250) 3.602 13.162 ( -1.502 -2.962 0.896) 3.440 13.210 ( 0.227 -1.254 -1.675) 2.105 13.246 ( -0.673 -2.373 -0.408) 2.500 13.285 ( 0.525 -1.373 1.673) 2.227 13.345 ( 1.193 0.064 -1.132) 1.646 13.370 ( 0.527 0.549 -2.518) 2.630 13.461 ( -0.181 1.391 -1.074) 1.767 13.477 ( -2.188 -1.402 -3.217) 4.135 13.566 ( 0.422 -1.241 -4.044) 4.251 13.648 ( -4.250 -0.316 2.072) 4.739 13.678 ( -3.168 0.698 -1.213) 3.464 13.767 ( 1.137 -0.625 1.206) 1.771 13.829 ( -2.155 0.757 -0.161) 2.290 13.889 ( 0.433 0.454 -3.006) 3.071 13.954 ( -2.753 -1.104 -3.081) 4.276 14.033 ( 3.895 1.694 0.620) 4.293 14.096 ( 0.908 0.393 -2.527) 2.713 14.142 ( 1.246 -1.196 -0.283) 1.751 14.164 ( -0.521 0.438 -1.686) 1.818 15.288 ( 4.587 0.114 11.426) 12.313 15.499 ( -3.317 -6.491 7.401) 10.388 15.584 ( 1.170 -0.366 -3.541) 3.747 15.626 ( -0.666 -0.452 -0.662) 1.042 16.051 ( 0.823 -4.933 2.155) 5.446 16.117 ( -1.623 -3.298 2.343) 4.359 16.212 ( 0.611 0.517 -4.874) 4.940 16.319 ( -3.106 -1.627 -6.291) 7.202 17.529 ( 0.038 -1.625 1.511) 2.220 17.557 ( -1.440 -1.463 -0.173) 2.060 17.562 ( -1.206 -1.230 -0.042) 1.723 17.580 ( -1.656 0.647 -0.921) 2.002 17.665 ( 0.974 0.473 1.932) 2.215 17.693 ( 0.598 -1.460 1.949) 2.508 17.720 ( 2.071 0.763 0.457) 2.254 17.776 ( 0.300 0.849 -1.254) 1.544 17.924 ( 1.574 -0.376 0.520) 1.700 17.960 ( 0.844 0.496 0.312) 1.028 17.994 ( -0.685 1.272 -2.653) 3.021 18.015 ( -1.404 -0.153 -1.153) 1.823 18.065 ( 0.956 -0.943 1.974) 2.387 18.098 ( 0.504 -1.088 1.953) 2.291 18.113 ( 1.982 0.198 0.234) 2.005 18.225 ( -2.829 -0.834 -0.623) 3.015 18.450 ( 3.968 0.189 11.472) 12.140 18.554 ( 6.533 -1.085 3.343) 7.418 18.612 ( -0.486 0.366 3.036) 3.096 18.737 ( 1.466 1.691 6.423) 6.802 18.802 ( -1.701 0.617 6.722) 6.961 18.832 ( -2.406 0.983 0.777) 2.712 18.925 ( 1.138 1.783 -0.504) 2.174 18.987 ( -0.778 3.410 -1.482) 3.799 19.366 ( 0.483 0.196 -0.812) 0.965 19.383 ( -0.445 0.093 -0.731) 0.861 19.482 ( -0.110 -0.729 -0.504) 0.894 19.490 ( -1.734 0.444 -2.081) 2.745 19.504 ( -2.246 -1.394 -0.447) 2.681 19.575 ( 1.289 -1.758 -3.490) 4.115 19.633 ( -3.297 -0.916 -2.082) 4.005 19.726 ( -1.891 -3.478 -7.222) 8.235 19.995 ( 4.126 1.478 1.750) 4.719 20.033 ( 2.104 2.494 0.019) 3.263 20.096 ( -0.482 0.157 2.217) 2.275 20.157 ( -2.687 -0.308 0.337) 2.725 29.712 ( 1.028 -0.403 3.008) 3.204 29.785 ( -1.886 -1.612 0.464) 2.524 29.803 ( 0.150 0.081 0.968) 0.983 29.820 ( -0.450 0.583 -1.965) 2.098 29.867 ( 0.631 -1.196 1.023) 1.695 29.913 ( -0.711 -1.486 -2.467) 2.967 29.930 ( 1.794 -0.161 -2.450) 3.041 29.972 ( -0.259 -0.593 -2.648) 2.726 30.663 ( 0.249 0.285 0.610) 0.718 30.680 ( -0.442 0.572 0.610) 0.945 30.695 ( 0.331 1.609 -0.913) 1.880 30.711 ( -0.296 1.750 -0.879) 1.981 31.655 ( 0.427 5.777 4.241) 7.179 31.684 ( -0.283 6.738 4.267) 7.980 31.728 ( 1.253 2.567 1.690) 3.319 31.774 ( 1.153 4.734 0.178) 4.875 31.949 ( 3.131 -0.751 8.495) 9.085 32.026 ( 1.851 -0.759 7.161) 7.435 32.086 ( 3.141 5.177 0.649) 6.090 32.137 ( -0.783 -0.950 8.562) 8.650 32.212 ( -0.750 1.561 7.924) 8.111 32.295 ( -2.164 0.099 5.406) 5.824 32.440 ( 3.004 2.069 -0.980) 3.777 32.501 ( -0.191 2.601 -6.895) 7.372 32.651 ( -3.005 5.817 -3.620) 7.481 32.839 ( -11.216 4.123 0.970) 11.989 33.024 ( 0.744 3.349 -9.863) 10.442 33.165 ( -1.450 -1.947 -8.020) 8.379 33.450 ( -0.962 -9.298 6.288) 11.266 33.551 ( 0.565 -5.693 3.733) 6.831 33.611 ( -4.306 -7.415 0.372) 8.583 33.837 ( -4.350 -6.264 -6.486) 10.011 34.379 ( 3.029 5.680 6.019) 8.813 34.559 ( -0.684 8.443 1.011) 8.531 34.706 ( -4.976 9.327 1.802) 10.724 34.880 ( -4.427 5.098 -2.747) 7.289 35.254 ( -3.899 0.443 3.307) 5.132 35.261 ( -2.390 -0.866 2.239) 3.388 35.310 ( -3.317 1.515 0.876) 3.750 35.395 ( -3.781 4.048 -3.813) 6.724 35.975 ( 5.731 -1.121 5.166) 7.797 36.155 ( 1.589 -2.022 0.496) 2.619 36.306 ( 4.652 -3.611 -9.202) 10.925 36.340 ( 2.133 -4.821 -9.066) 10.487 36.916 ( 19.635 -5.028 -4.265) 20.713 37.007 ( 11.429 0.559 -6.827) 13.324 37.241 ( -4.866 -6.506 9.232) 12.298 37.722 ( -9.158 -12.220 -13.693) 20.511 ======================= Grid point 77 (30/48) ======================= q-point: (-0.50 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -8.948 5.233 11.898) 15.780 1.789 ( 8.948 5.233 11.898) 15.780 1.992 ( -5.430 9.156 2.718) 10.986 1.992 ( 5.430 9.156 2.718) 10.986 2.229 ( -11.816 8.679 6.617) 16.085 2.229 ( 11.816 8.679 6.617) 16.085 2.393 ( -2.941 5.163 4.331) 7.353 2.393 ( 2.941 5.163 4.331) 7.353 2.540 ( -6.155 3.160 6.992) 9.836 2.540 ( 6.155 3.160 6.992) 9.836 2.754 ( -10.731 -0.449 2.888) 11.122 2.754 ( 10.731 -0.449 2.888) 11.122 2.933 ( -4.567 1.638 -4.749) 6.789 2.933 ( 4.567 1.638 -4.749) 6.789 3.023 ( -8.114 10.894 -2.821) 13.874 3.023 ( 8.114 10.894 -2.821) 13.874 3.163 ( -9.623 3.052 -2.433) 10.384 3.163 ( 9.623 3.052 -2.433) 10.384 3.277 ( -7.105 8.992 -1.760) 11.595 3.277 ( 7.105 8.992 -1.760) 11.595 3.459 ( -8.188 -1.489 3.492) 9.025 3.459 ( 8.188 -1.489 3.492) 9.025 3.609 ( -5.464 0.743 -3.996) 6.810 3.609 ( 5.464 0.743 -3.996) 6.810 3.813 ( -21.221 5.342 16.026) 27.124 3.813 ( 21.221 5.342 16.026) 27.124 3.953 ( -6.598 2.093 1.936) 7.188 3.953 ( 6.598 2.093 1.936) 7.188 4.049 ( -7.998 -6.837 1.795) 10.674 4.049 ( 7.998 -6.837 1.795) 10.674 4.213 ( -3.548 1.011 4.211) 5.598 4.213 ( 3.548 1.011 4.211) 5.598 4.311 ( -1.548 -0.370 -2.570) 3.023 4.311 ( 1.548 -0.370 -2.570) 3.023 4.461 ( -7.294 -7.658 3.158) 11.037 4.461 ( 7.294 -7.658 3.158) 11.037 4.585 ( -7.554 -0.700 -2.569) 8.010 4.585 ( 7.554 -0.700 -2.569) 8.010 4.612 ( -1.124 -2.981 2.667) 4.155 4.612 ( 1.124 -2.981 2.667) 4.155 4.771 ( -2.404 -4.960 -2.683) 6.130 4.771 ( 2.404 -4.960 -2.683) 6.130 4.957 ( -3.976 2.620 -4.362) 6.458 4.957 ( 3.976 2.620 -4.362) 6.458 5.074 ( -3.681 6.102 3.203) 7.813 5.074 ( 3.681 6.102 3.203) 7.813 5.179 ( -1.393 2.852 -0.571) 3.225 5.179 ( 1.393 2.852 -0.571) 3.225 5.296 ( -4.576 2.387 3.797) 6.408 5.296 ( 4.576 2.387 3.797) 6.408 5.376 ( -3.013 6.891 1.317) 7.636 5.376 ( 3.013 6.891 1.317) 7.636 5.497 ( -8.427 -10.678 2.500) 13.830 5.497 ( 8.427 -10.678 2.500) 13.830 5.602 ( -4.169 -7.510 -3.339) 9.216 5.602 ( 4.169 -7.510 -3.339) 9.216 5.652 ( -3.036 -1.031 -1.257) 3.444 5.652 ( 3.036 -1.031 -1.257) 3.444 5.750 ( -2.867 -0.695 -3.172) 4.332 5.750 ( 2.867 -0.695 -3.172) 4.332 6.013 ( -2.968 -6.234 -0.078) 6.905 6.013 ( 2.968 -6.234 -0.078) 6.905 6.222 ( -6.418 -3.022 6.911) 9.904 6.222 ( 6.418 -3.022 6.911) 9.904 6.331 ( -1.747 -5.215 -2.782) 6.163 6.331 ( 1.747 -5.215 -2.782) 6.163 6.474 ( -0.735 2.435 8.236) 8.620 6.474 ( 0.735 2.435 8.236) 8.620 6.717 ( -2.377 7.737 -5.467) 9.767 6.717 ( 2.377 7.737 -5.467) 9.767 7.107 ( -11.093 -8.353 -14.121) 19.805 7.107 ( 11.093 -8.353 -14.121) 19.805 8.642 ( -1.170 3.436 4.480) 5.765 8.642 ( 1.170 3.436 4.480) 5.765 8.736 ( -3.941 5.236 2.454) 6.998 8.736 ( 3.941 5.236 2.454) 6.998 8.914 ( -2.356 -2.888 -6.967) 7.901 8.914 ( 2.356 -2.888 -6.967) 7.901 8.999 ( -2.069 1.248 -3.286) 4.078 8.999 ( 2.069 1.248 -3.286) 4.078 9.188 ( -1.600 -0.098 0.948) 1.862 9.188 ( 1.600 -0.098 0.948) 1.862 9.348 ( -1.212 4.455 -4.038) 6.133 9.348 ( 1.212 4.455 -4.038) 6.133 9.492 ( -4.021 -0.714 0.236) 4.091 9.492 ( 4.021 -0.714 0.236) 4.091 9.651 ( -2.280 -3.499 -5.635) 7.014 9.651 ( 2.280 -3.499 -5.635) 7.014 9.708 ( -1.691 -3.852 1.523) 4.474 9.708 ( 1.691 -3.852 1.523) 4.474 9.818 ( -1.495 0.712 -5.033) 5.298 9.818 ( 1.495 0.712 -5.033) 5.298 10.017 ( -7.738 -1.527 3.952) 8.822 10.017 ( 7.738 -1.527 3.952) 8.822 10.279 ( -7.372 -2.307 -3.249) 8.380 10.279 ( 7.372 -2.307 -3.249) 8.380 10.459 ( -7.684 5.734 -2.350) 9.871 10.459 ( 7.684 5.734 -2.350) 9.871 10.590 ( -1.942 8.322 -6.126) 10.515 10.590 ( 1.942 8.322 -6.126) 10.515 10.875 ( -0.545 1.624 1.007) 1.987 10.875 ( 0.545 1.624 1.007) 1.987 10.948 ( -1.379 5.260 -1.447) 5.628 10.948 ( 1.379 5.260 -1.447) 5.628 11.422 ( -5.810 0.560 15.823) 16.865 11.422 ( 5.810 0.560 15.823) 16.865 11.572 ( -2.186 -5.028 4.244) 6.933 11.572 ( 2.186 -5.028 4.244) 6.933 11.679 ( -3.479 -0.376 0.837) 3.598 11.679 ( 3.479 -0.376 0.837) 3.598 12.123 ( -1.543 -3.108 -13.997) 14.420 12.123 ( 1.543 -3.108 -13.997) 14.420 12.908 ( -0.390 -1.584 2.061) 2.629 12.908 ( 0.390 -1.584 2.061) 2.629 13.011 ( -0.286 -1.212 -4.452) 4.623 13.011 ( 0.286 -1.212 -4.452) 4.623 13.124 ( -1.968 -0.968 2.256) 3.146 13.124 ( 1.968 -0.968 2.256) 3.146 13.224 ( -1.000 -3.897 0.196) 4.028 13.224 ( 1.000 -3.897 0.196) 4.028 13.329 ( -2.806 -2.838 -1.254) 4.183 13.329 ( 2.806 -2.838 -1.254) 4.183 13.398 ( -2.648 1.203 -4.985) 5.771 13.398 ( 2.648 1.203 -4.985) 5.771 13.528 ( -4.087 2.567 1.856) 5.171 13.528 ( 4.087 2.567 1.856) 5.171 13.619 ( -2.403 -0.359 -2.688) 3.624 13.619 ( 2.403 -0.359 -2.688) 3.624 13.793 ( -1.356 0.181 0.770) 1.570 13.793 ( 1.356 0.181 0.770) 1.570 13.906 ( -1.562 -0.197 -3.062) 3.443 13.906 ( 1.562 -0.197 -3.062) 3.443 14.102 ( -1.761 0.039 -0.195) 1.772 14.102 ( 1.761 0.039 -0.195) 1.772 14.147 ( -0.862 0.935 -1.674) 2.102 14.147 ( 0.862 0.935 -1.674) 2.102 15.401 ( -5.748 -2.679 9.928) 11.781 15.401 ( 5.748 -2.679 9.928) 11.781 15.609 ( -1.078 -0.453 -1.768) 2.120 15.609 ( 1.078 -0.453 -1.768) 2.120 16.079 ( -1.830 -4.123 2.010) 4.938 16.079 ( 1.830 -4.123 2.010) 4.938 16.249 ( -2.983 -0.508 -5.284) 6.090 16.249 ( 2.983 -0.508 -5.284) 6.090 17.534 ( -0.535 -2.003 0.737) 2.200 17.534 ( 0.535 -2.003 0.737) 2.200 17.556 ( -0.466 -0.447 -0.521) 0.830 17.556 ( 0.466 -0.447 -0.521) 0.830 17.685 ( -0.837 -0.533 2.340) 2.542 17.685 ( 0.837 -0.533 2.340) 2.542 17.765 ( -1.572 0.882 -0.755) 1.954 17.765 ( 1.572 0.882 -0.755) 1.954 17.958 ( -1.520 0.503 0.318) 1.633 17.958 ( 1.520 0.503 0.318) 1.633 17.989 ( -0.799 0.216 -1.073) 1.355 17.989 ( 0.799 0.216 -1.073) 1.355 18.092 ( -1.153 -1.271 1.700) 2.416 18.092 ( 1.153 -1.271 1.700) 2.416 18.162 ( -2.880 -0.282 -0.673) 2.971 18.162 ( 2.880 -0.282 -0.673) 2.971 18.547 ( -4.593 -0.714 9.436) 10.519 18.547 ( 4.593 -0.714 9.436) 10.519 18.707 ( -6.640 -0.404 1.966) 6.937 18.707 ( 6.640 -0.404 1.966) 6.937 18.787 ( -2.144 1.863 6.518) 7.109 18.787 ( 2.144 1.863 6.518) 7.109 18.958 ( -1.807 2.285 -1.302) 3.191 18.958 ( 1.807 2.285 -1.302) 3.191 19.390 ( -1.479 -0.658 -1.262) 2.053 19.390 ( 1.479 -0.658 -1.262) 2.053 19.436 ( -2.130 0.624 -1.953) 2.956 19.436 ( 2.130 0.624 -1.953) 2.956 19.544 ( -3.200 -0.551 -1.199) 3.461 19.544 ( 3.200 -0.551 -1.199) 3.461 19.661 ( -3.920 -2.476 -6.673) 8.126 19.661 ( 3.920 -2.476 -6.673) 8.126 20.067 ( -0.563 1.008 1.761) 2.106 20.067 ( 0.563 1.008 1.761) 2.106 20.091 ( -2.435 1.206 0.615) 2.786 20.091 ( 2.435 1.206 0.615) 2.786 29.743 ( -1.921 -0.922 1.624) 2.679 29.743 ( 1.921 -0.922 1.624) 2.679 29.810 ( -0.443 0.599 -0.057) 0.747 29.810 ( 0.443 0.599 -0.057) 0.747 29.890 ( -1.290 -1.542 -0.868) 2.190 29.890 ( 1.290 -1.542 -0.868) 2.190 29.960 ( -1.005 -0.563 -2.747) 2.979 29.960 ( 1.005 -0.563 -2.747) 2.979 30.670 ( -0.445 0.434 0.675) 0.918 30.670 ( 0.445 0.434 0.675) 0.918 30.703 ( -0.427 1.711 -0.921) 1.990 30.703 ( 0.427 1.711 -0.921) 1.990 31.670 ( -0.908 6.383 4.594) 7.917 31.670 ( 0.908 6.383 4.594) 7.917 31.764 ( -1.621 4.128 0.234) 4.441 31.764 ( 1.621 4.128 0.234) 4.441 32.028 ( -2.815 -3.592 9.910) 10.911 32.028 ( 2.815 -3.592 9.910) 10.911 32.130 ( -1.769 1.466 4.306) 4.880 32.130 ( 1.769 1.466 4.306) 4.880 32.232 ( -3.662 -1.108 5.323) 6.555 32.232 ( 3.662 -1.108 5.323) 6.555 32.499 ( -1.109 0.907 -6.712) 6.863 32.499 ( 1.109 0.907 -6.712) 6.863 32.633 ( -5.158 13.458 5.261) 15.343 32.633 ( 5.158 13.458 5.261) 15.343 33.086 ( -4.732 0.710 -11.013) 12.008 33.086 ( 4.732 0.710 -11.013) 12.008 33.477 ( -4.033 -7.364 5.578) 10.080 33.477 ( 4.033 -7.364 5.578) 10.080 33.692 ( -7.869 -2.879 -4.906) 9.709 33.692 ( 7.869 -2.879 -4.906) 9.709 34.503 ( -7.673 1.316 7.574) 10.861 34.503 ( 7.673 1.316 7.574) 10.861 34.720 ( -8.763 6.340 -3.373) 11.330 34.720 ( 8.763 6.340 -3.373) 11.330 35.225 ( -1.094 0.056 2.749) 2.959 35.225 ( 1.094 0.056 2.749) 2.959 35.325 ( -2.973 4.283 -1.664) 5.472 35.325 ( 2.973 4.283 -1.664) 5.472 36.100 ( -5.368 -0.901 3.871) 6.679 36.100 ( 5.368 -0.901 3.871) 6.679 36.364 ( -0.571 -3.929 -8.143) 9.060 36.364 ( 0.571 -3.929 -8.143) 9.060 37.103 ( -7.477 -3.959 3.402) 9.119 37.103 ( 7.477 -3.959 3.402) 9.119 37.438 ( -18.582 -9.779 -14.145) 25.318 37.438 ( 18.582 -9.779 -14.145) 25.318 ======================= Grid point 80 (31/48) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.740 ( 0.000 15.415 7.403) 17.100 1.830 ( 0.000 10.023 21.265) 23.509 1.942 ( 0.000 5.677 -1.917) 5.992 2.178 ( 0.000 5.371 6.693) 8.581 2.229 ( 0.000 0.909 5.061) 5.142 2.287 ( 0.000 3.819 3.529) 5.200 2.341 ( 0.000 11.134 0.391) 11.141 2.411 ( 0.000 -0.266 -8.053) 8.057 2.601 ( 0.000 5.494 8.429) 10.061 2.684 ( 0.000 8.729 11.814) 14.690 2.724 ( 0.000 3.997 4.328) 5.891 2.831 ( 0.000 9.049 -6.345) 11.052 2.873 ( 0.000 6.113 -8.071) 10.125 2.887 ( 0.000 1.420 -1.461) 2.037 3.014 ( 0.000 1.710 7.182) 7.383 3.035 ( 0.000 8.356 3.596) 9.097 3.123 ( 0.000 2.580 -3.427) 4.289 3.298 ( 0.000 -3.017 -10.577) 10.999 3.383 ( 0.000 1.097 2.806) 3.013 3.496 ( 0.000 16.320 3.388) 16.668 3.562 ( 0.000 4.226 6.554) 7.798 3.565 ( 0.000 -1.078 5.977) 6.074 3.696 ( 0.000 1.474 5.782) 5.967 3.720 ( 0.000 -1.257 4.099) 4.287 3.809 ( 0.000 14.539 -3.895) 15.051 3.890 ( 0.000 -5.164 3.556) 6.270 3.911 ( 0.000 1.335 -1.714) 2.173 3.924 ( 0.000 -7.552 0.755) 7.590 4.059 ( 0.000 -0.083 -1.890) 1.892 4.115 ( 0.000 1.351 3.968) 4.191 4.214 ( 0.000 9.105 -5.402) 10.587 4.312 ( 0.000 -1.889 -8.513) 8.720 4.375 ( 0.000 -2.844 2.211) 3.602 4.439 ( 0.000 -5.224 6.369) 8.237 4.440 ( 0.000 -0.612 -3.771) 3.820 4.543 ( 0.000 -1.438 3.666) 3.938 4.558 ( 0.000 -7.102 -1.327) 7.225 4.590 ( 0.000 -2.198 3.559) 4.183 4.614 ( 0.000 -8.300 -4.897) 9.637 4.666 ( 0.000 -1.058 1.375) 1.735 4.670 ( 0.000 -3.058 3.713) 4.810 4.753 ( 0.000 -4.800 1.816) 5.132 4.836 ( 0.000 -3.152 4.693) 5.653 4.903 ( 0.000 1.354 -1.727) 2.195 4.960 ( 0.000 -8.509 6.446) 10.675 5.023 ( 0.000 10.824 -3.939) 11.518 5.136 ( 0.000 0.126 4.725) 4.727 5.225 ( 0.000 1.699 -1.217) 2.090 5.256 ( 0.000 4.339 3.137) 5.354 5.288 ( 0.000 -12.242 -0.922) 12.277 5.328 ( 0.000 -2.214 0.436) 2.256 5.346 ( 0.000 -6.131 1.092) 6.228 5.375 ( 0.000 -3.637 -7.573) 8.401 5.400 ( 0.000 3.208 6.767) 7.489 5.523 ( 0.000 3.631 3.169) 4.819 5.595 ( 0.000 2.576 1.177) 2.832 5.701 ( 0.000 -2.687 2.324) 3.553 5.717 ( 0.000 2.554 0.886) 2.703 5.752 ( 0.000 2.214 -5.200) 5.651 5.876 ( 0.000 -9.329 2.771) 9.732 5.903 ( 0.000 -5.871 0.681) 5.911 5.963 ( 0.000 0.679 -2.134) 2.239 6.142 ( 0.000 -1.295 0.907) 1.581 6.177 ( 0.000 -11.071 2.582) 11.368 6.405 ( 0.000 -1.835 4.612) 4.964 6.407 ( 0.000 -5.350 3.905) 6.623 6.484 ( 0.000 3.701 15.834) 16.261 6.499 ( 0.000 1.839 -3.406) 3.871 6.712 ( 0.000 3.617 -9.579) 10.240 6.767 ( 0.000 6.345 -4.767) 7.936 6.933 ( 0.000 4.887 -12.447) 13.372 7.122 ( 0.000 -13.322 -7.059) 15.076 8.624 ( 0.000 -0.200 2.923) 2.930 8.684 ( 0.000 -0.505 -0.262) 0.569 8.782 ( 0.000 0.359 -9.507) 9.514 8.824 ( 0.000 -2.108 -6.653) 6.979 8.874 ( 0.000 5.128 2.897) 5.889 8.930 ( 0.000 -0.088 3.191) 3.192 9.072 ( 0.000 6.123 1.831) 6.391 9.148 ( 0.000 3.498 -7.722) 8.478 9.183 ( 0.000 2.158 -0.051) 2.158 9.190 ( 0.000 -1.076 -4.698) 4.819 9.296 ( 0.000 2.595 -0.463) 2.636 9.304 ( 0.000 1.151 -2.630) 2.871 9.419 ( 0.000 2.109 4.126) 4.634 9.464 ( 0.000 -0.307 -0.531) 0.613 9.559 ( 0.000 2.347 4.635) 5.196 9.575 ( 0.000 2.718 -0.895) 2.861 9.650 ( 0.000 -1.632 -3.854) 4.185 9.756 ( 0.000 -4.927 -0.629) 4.967 9.757 ( 0.000 -1.069 0.470) 1.168 9.862 ( 0.000 0.460 -5.218) 5.239 9.918 ( 0.000 -1.481 -1.638) 2.209 10.030 ( 0.000 7.254 -6.925) 10.029 10.125 ( 0.000 -10.014 5.085) 11.231 10.354 ( 0.000 -2.273 -4.325) 4.886 10.510 ( 0.000 -0.427 -0.025) 0.428 10.515 ( 0.000 1.131 3.181) 3.376 10.687 ( 0.000 0.156 -2.759) 2.764 10.813 ( 0.000 4.086 -9.357) 10.210 10.986 ( 0.000 7.091 1.218) 7.195 11.000 ( 0.000 1.265 5.123) 5.277 11.050 ( 0.000 9.313 -1.606) 9.450 11.056 ( 0.000 4.087 2.153) 4.619 11.302 ( 0.000 6.485 8.157) 10.421 11.406 ( 0.000 -6.006 1.466) 6.183 11.520 ( 0.000 -1.663 0.364) 1.702 11.534 ( 0.000 -8.508 8.380) 11.942 11.613 ( 0.000 0.407 0.371) 0.550 11.614 ( 0.000 -2.691 10.632) 10.967 11.999 ( 0.000 -5.128 -24.162) 24.700 12.083 ( 0.000 -3.662 -6.881) 7.795 12.861 ( 0.000 -0.031 1.805) 1.806 12.897 ( 0.000 0.415 1.910) 1.955 12.970 ( 0.000 -2.795 -2.431) 3.705 12.977 ( 0.000 -1.589 -3.054) 3.443 13.094 ( 0.000 0.411 1.948) 1.991 13.130 ( 0.000 0.024 -1.646) 1.646 13.179 ( 0.000 -3.710 -3.144) 4.863 13.222 ( 0.000 -2.909 -0.369) 2.932 13.295 ( 0.000 -2.440 3.958) 4.649 13.303 ( 0.000 -1.752 0.651) 1.869 13.394 ( 0.000 4.664 -7.037) 8.442 13.486 ( 0.000 -1.255 -4.530) 4.700 13.500 ( 0.000 1.353 -0.493) 1.440 13.542 ( 0.000 4.068 -2.354) 4.699 13.618 ( 0.000 -3.810 -1.394) 4.057 13.713 ( 0.000 -2.792 0.219) 2.800 13.804 ( 0.000 2.558 1.360) 2.897 13.868 ( 0.000 -1.156 -2.559) 2.808 13.890 ( 0.000 1.716 -2.972) 3.432 13.959 ( 0.000 -0.335 -0.725) 0.799 14.022 ( 0.000 0.619 -1.510) 1.632 14.057 ( 0.000 -1.561 1.409) 2.103 14.125 ( 0.000 0.681 -3.894) 3.953 14.140 ( 0.000 -1.587 -4.137) 4.431 15.267 ( 0.000 1.953 11.186) 11.355 15.389 ( 0.000 -5.482 9.863) 11.284 15.573 ( 0.000 0.500 -4.364) 4.393 15.612 ( 0.000 -1.145 -2.552) 2.797 15.990 ( 0.000 -0.571 2.219) 2.292 16.067 ( 0.000 -3.569 2.893) 4.595 16.219 ( 0.000 0.775 -7.312) 7.353 16.303 ( 0.000 -2.954 -7.283) 7.859 17.510 ( 0.000 -0.218 2.148) 2.159 17.544 ( 0.000 -1.435 0.539) 1.533 17.585 ( 0.000 -0.575 -0.517) 0.773 17.589 ( 0.000 -1.187 0.147) 1.196 17.670 ( 0.000 0.716 -0.292) 0.773 17.687 ( 0.000 -0.846 1.409) 1.644 17.693 ( 0.000 2.057 -0.247) 2.072 17.769 ( 0.000 -0.942 -1.451) 1.730 17.907 ( 0.000 0.866 0.795) 1.176 17.947 ( 0.000 -0.523 0.728) 0.896 17.998 ( 0.000 -0.420 -3.263) 3.290 18.018 ( 0.000 -1.424 -3.004) 3.324 18.054 ( 0.000 0.445 2.138) 2.184 18.068 ( 0.000 0.119 4.102) 4.104 18.144 ( 0.000 2.814 -1.483) 3.181 18.237 ( 0.000 -1.539 -1.743) 2.325 18.410 ( 0.000 0.453 11.298) 11.307 18.450 ( 0.000 -1.256 6.502) 6.622 18.662 ( 0.000 2.876 -1.758) 3.371 18.734 ( 0.000 -0.291 2.988) 3.002 18.849 ( 0.000 1.519 8.940) 9.068 18.867 ( 0.000 0.446 1.639) 1.698 18.964 ( 0.000 3.053 3.342) 4.527 19.043 ( 0.000 0.803 0.001) 0.803 19.387 ( 0.000 1.351 -0.568) 1.465 19.389 ( 0.000 0.171 0.038) 0.175 19.453 ( 0.000 -0.855 -2.914) 3.037 19.469 ( 0.000 -2.357 -1.723) 2.920 19.541 ( 0.000 1.072 -1.407) 1.769 19.559 ( 0.000 -0.400 -0.130) 0.421 19.638 ( 0.000 -2.461 -2.197) 3.299 19.660 ( 0.000 -3.863 -6.720) 7.751 19.991 ( 0.000 3.060 3.030) 4.307 20.074 ( 0.000 3.221 -0.352) 3.240 20.089 ( 0.000 -1.117 3.195) 3.384 20.158 ( 0.000 -1.529 1.270) 1.988 29.699 ( 0.000 0.116 3.695) 3.697 29.757 ( 0.000 -2.995 2.203) 3.718 29.799 ( 0.000 -0.046 0.181) 0.187 29.809 ( 0.000 -0.175 -1.623) 1.632 29.881 ( 0.000 -0.324 -1.937) 1.964 29.885 ( 0.000 -0.730 -0.353) 0.811 29.909 ( 0.000 0.655 -2.894) 2.967 29.960 ( 0.000 -0.949 -2.835) 2.990 30.670 ( 0.000 0.672 1.058) 1.253 30.690 ( 0.000 -0.090 0.953) 0.957 30.723 ( 0.000 1.591 -1.570) 2.235 30.743 ( 0.000 0.940 -1.728) 1.967 31.745 ( 0.000 3.692 4.938) 6.165 31.774 ( 0.000 1.448 8.698) 8.818 31.828 ( 0.000 7.057 1.722) 7.264 31.862 ( 0.000 8.349 5.189) 9.830 31.979 ( 0.000 1.799 7.199) 7.420 31.988 ( 0.000 -0.349 9.412) 9.419 32.119 ( 0.000 -1.231 8.699) 8.786 32.155 ( 0.000 0.113 4.726) 4.728 32.280 ( 0.000 3.971 1.553) 4.264 32.344 ( 0.000 0.311 -4.871) 4.880 32.470 ( 0.000 4.381 -0.588) 4.421 32.549 ( 0.000 1.686 -8.975) 9.132 32.774 ( 0.000 9.428 -3.593) 10.090 33.035 ( 0.000 4.097 -12.053) 12.730 33.037 ( 0.000 2.127 2.741) 3.469 33.169 ( 0.000 -0.689 2.092) 2.203 33.267 ( 0.000 -7.413 8.473) 11.258 33.382 ( 0.000 -8.862 -0.363) 8.869 33.507 ( 0.000 -7.832 -2.496) 8.221 33.604 ( 0.000 -14.628 -7.047) 16.237 34.530 ( 0.000 8.040 12.538) 14.895 34.680 ( 0.000 0.519 13.565) 13.575 35.079 ( 0.000 9.898 -5.415) 11.283 35.086 ( 0.000 12.748 -10.600) 16.579 35.266 ( 0.000 -0.376 4.262) 4.279 35.339 ( 0.000 1.007 1.187) 1.557 35.424 ( 0.000 0.293 -2.592) 2.609 35.445 ( 0.000 -5.456 -5.801) 7.963 35.942 ( 0.000 0.023 -3.063) 3.063 35.942 ( 0.000 0.752 -4.124) 4.192 36.147 ( 0.000 -5.487 -12.653) 13.792 36.182 ( 0.000 -7.346 -10.815) 13.073 36.688 ( 0.000 6.939 9.388) 11.674 37.030 ( 0.000 7.158 -7.623) 10.457 37.098 ( 0.000 -11.732 9.898) 15.350 37.516 ( 0.000 -16.289 -9.799) 19.009 ======================= Grid point 81 (32/48) ======================= q-point: ( 0.25 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.726 ( 7.335 13.417 13.843) 20.627 1.995 ( 9.183 7.429 4.126) 12.512 2.112 ( 5.804 5.191 -1.840) 8.002 2.162 ( -3.057 -0.486 1.441) 3.415 2.322 ( 4.526 6.462 5.541) 9.641 2.331 ( 6.616 8.774 7.427) 13.263 2.421 ( 2.362 5.916 -4.715) 7.925 2.485 ( 7.191 9.016 6.027) 13.012 2.531 ( -0.524 2.951 1.356) 3.290 2.658 ( -0.670 7.536 -0.308) 7.572 2.716 ( 1.154 4.050 5.029) 6.559 2.810 ( -3.249 2.395 12.853) 13.471 2.901 ( 2.232 3.051 -2.618) 4.598 2.983 ( 0.090 3.489 6.771) 7.617 3.067 ( 0.015 5.145 -2.089) 5.552 3.081 ( 13.156 -3.465 -1.627) 13.702 3.182 ( 10.202 2.463 3.064) 10.933 3.300 ( -2.817 12.213 0.223) 12.536 3.419 ( -3.814 6.417 0.845) 7.513 3.442 ( 6.455 -3.059 -4.990) 8.714 3.492 ( -2.570 6.695 -3.622) 8.034 3.567 ( -2.368 1.367 10.574) 10.922 3.609 ( -10.090 2.897 -4.590) 11.458 3.719 ( 2.241 8.413 6.615) 10.934 3.833 ( -4.701 5.942 5.971) 9.647 3.855 ( -2.375 -9.286 1.881) 9.767 3.896 ( 4.544 6.805 0.882) 8.230 3.922 ( 0.625 -2.680 2.270) 3.568 4.021 ( 1.213 0.378 -2.619) 2.911 4.155 ( -6.253 -2.122 1.206) 6.713 4.251 ( -0.813 1.081 -2.244) 2.620 4.302 ( -6.246 -5.758 0.564) 8.513 4.321 ( 4.640 5.514 -2.909) 7.772 4.351 ( -5.804 -4.036 -4.031) 8.138 4.440 ( 0.844 1.174 -1.050) 1.787 4.459 ( -3.536 -5.003 -2.931) 6.791 4.486 ( -8.111 -2.930 2.156) 8.890 4.550 ( -3.430 -3.344 1.122) 4.920 4.618 ( -3.131 -4.887 -4.177) 7.151 4.664 ( -0.925 -6.536 0.458) 6.617 4.717 ( 2.579 5.315 3.949) 7.106 4.758 ( -0.131 0.096 2.038) 2.045 4.866 ( 7.174 -1.475 -2.516) 7.744 4.965 ( 4.441 -7.253 4.879) 9.805 5.013 ( 3.822 1.681 7.924) 8.957 5.081 ( 4.837 -5.760 0.748) 7.559 5.128 ( -0.397 6.081 -3.396) 6.976 5.181 ( -0.901 -0.469 4.499) 4.612 5.251 ( -0.152 3.423 0.507) 3.464 5.294 ( 0.296 -13.360 0.718) 13.383 5.339 ( -3.154 2.029 4.817) 6.105 5.383 ( 4.063 0.484 0.993) 4.211 5.418 ( 1.372 -6.488 -0.901) 6.692 5.473 ( 3.190 3.022 5.667) 7.171 5.493 ( 1.155 1.747 0.206) 2.104 5.564 ( -2.180 4.492 0.218) 4.998 5.621 ( -1.448 1.945 0.003) 2.425 5.701 ( -2.946 -2.226 -8.303) 9.087 5.737 ( -1.037 -2.663 4.536) 5.361 5.860 ( -2.337 0.571 -2.765) 3.665 5.909 ( -4.357 -1.732 1.369) 4.884 5.960 ( 3.207 -6.513 -1.285) 7.373 6.037 ( -5.875 -9.639 0.520) 11.300 6.168 ( -4.571 -6.950 4.817) 9.612 6.338 ( -1.187 -0.317 2.996) 3.238 6.412 ( -5.000 2.833 -4.198) 7.117 6.440 ( 0.704 -0.158 7.721) 7.755 6.541 ( 1.215 1.879 15.431) 15.592 6.717 ( 2.281 -2.775 -11.329) 11.885 6.842 ( 5.497 5.432 -5.891) 9.717 6.889 ( -3.451 1.595 -12.285) 12.860 7.082 ( -3.849 -9.170 -5.825) 11.525 8.637 ( 1.621 0.027 3.774) 4.108 8.728 ( 3.431 -0.137 0.368) 3.453 8.784 ( -2.194 1.274 -2.540) 3.590 8.804 ( -1.467 2.026 -1.794) 3.078 8.844 ( 1.053 -2.407 -6.639) 7.140 8.912 ( -2.814 1.370 0.554) 3.178 9.047 ( -1.411 2.900 -1.982) 3.785 9.100 ( -1.456 5.145 -4.180) 6.787 9.161 ( -0.938 -0.769 -4.533) 4.693 9.230 ( 1.023 0.379 4.080) 4.224 9.339 ( 1.329 3.802 -4.044) 5.708 9.380 ( 4.360 2.696 -3.100) 5.991 9.448 ( 3.343 -0.493 0.234) 3.387 9.478 ( 1.810 0.168 3.710) 4.131 9.572 ( 0.269 -0.463 -1.383) 1.483 9.621 ( 2.209 -0.730 -0.928) 2.505 9.645 ( 0.121 -0.594 -0.214) 0.643 9.678 ( -3.489 -2.336 -1.540) 4.472 9.792 ( -0.849 -1.672 -5.172) 5.502 9.856 ( 4.706 -0.779 1.249) 4.931 9.910 ( -2.070 1.759 -3.651) 4.551 10.063 ( -0.558 -1.252 -0.022) 1.371 10.130 ( 2.534 -2.246 -0.598) 3.439 10.331 ( -3.401 -4.149 -3.098) 6.195 10.475 ( 3.400 5.328 1.499) 6.496 10.638 ( 5.559 1.188 -2.536) 6.225 10.689 ( 0.132 2.318 -4.751) 5.288 10.766 ( -4.296 7.104 -6.384) 10.473 10.954 ( -2.453 4.919 4.650) 7.200 10.977 ( -2.124 5.073 0.939) 5.579 11.051 ( 1.408 5.934 -0.802) 6.152 11.103 ( 2.046 6.003 -0.848) 6.398 11.330 ( 1.492 3.287 8.656) 9.379 11.391 ( 0.839 -6.555 2.633) 7.113 11.509 ( -2.936 -3.853 11.757) 12.716 11.535 ( -1.170 -3.007 5.517) 6.391 11.571 ( 0.699 -3.609 0.797) 3.762 11.649 ( 1.608 -3.304 1.840) 4.109 12.011 ( 0.249 -6.657 -18.069) 19.258 12.057 ( -1.984 -3.944 -9.128) 10.140 12.870 ( 0.770 -0.310 1.713) 1.904 12.895 ( -0.185 0.309 1.901) 1.935 12.962 ( -0.041 -2.473 -2.185) 3.300 12.986 ( -0.040 -2.342 -2.813) 3.661 13.096 ( 0.208 -0.317 1.344) 1.396 13.121 ( -0.759 -0.276 -1.560) 1.756 13.177 ( 0.102 -1.897 -2.480) 3.124 13.235 ( 0.888 -2.741 -1.336) 3.176 13.248 ( -3.452 0.705 1.587) 3.865 13.277 ( -1.662 -4.251 2.116) 5.031 13.403 ( 0.693 2.331 -6.167) 6.630 13.462 ( -1.734 0.775 -5.355) 5.682 13.518 ( 1.453 1.039 0.156) 1.793 13.575 ( 2.583 2.902 -1.492) 4.161 13.603 ( -1.522 -2.304 0.082) 2.763 13.722 ( -4.706 2.064 1.483) 5.348 13.737 ( 2.002 -2.289 -0.828) 3.152 13.850 ( -2.004 1.041 -2.784) 3.585 13.892 ( -0.496 -0.090 -3.881) 3.914 13.941 ( -2.027 -0.183 -3.164) 3.762 14.052 ( 3.287 0.029 1.733) 3.715 14.085 ( 0.359 -1.243 -1.949) 2.339 14.130 ( 1.951 0.195 -1.604) 2.533 14.166 ( 1.101 -0.266 -2.970) 3.179 15.297 ( 2.594 0.896 10.959) 11.297 15.386 ( -0.570 -4.430 10.025) 10.975 15.579 ( 0.562 -0.009 -3.328) 3.375 15.610 ( -0.327 -0.927 -2.460) 2.650 15.987 ( 0.140 -1.524 2.433) 2.874 16.049 ( -1.668 -3.170 2.572) 4.410 16.216 ( -0.048 0.275 -7.131) 7.137 16.277 ( -2.261 -2.445 -7.131) 7.870 17.506 ( -0.431 -0.541 2.080) 2.192 17.525 ( -2.484 -1.345 1.308) 3.113 17.539 ( -0.236 -1.085 0.036) 1.111 17.585 ( -2.336 -0.032 -1.410) 2.729 17.657 ( 0.735 -1.109 2.555) 2.881 17.684 ( -0.420 0.356 1.367) 1.474 17.743 ( 2.745 1.401 -1.126) 3.281 17.785 ( 0.764 -0.129 -2.610) 2.723 17.913 ( 1.270 -0.600 0.907) 1.672 17.965 ( 1.308 0.090 -0.320) 1.349 17.994 ( -0.653 -0.832 -1.707) 2.009 18.021 ( -1.927 0.024 0.424) 1.974 18.056 ( 2.003 0.217 0.519) 2.081 18.080 ( 0.721 -0.056 2.529) 2.630 18.140 ( 0.033 1.838 -1.153) 2.170 18.209 ( -2.268 -0.751 -1.968) 3.095 18.450 ( 3.482 -0.082 10.742) 11.293 18.520 ( 5.080 -1.731 5.638) 7.784 18.633 ( -1.245 1.163 1.606) 2.341 18.762 ( 1.093 0.593 -1.210) 1.735 18.824 ( -1.830 1.341 9.482) 9.750 18.859 ( -0.975 1.486 5.787) 6.054 18.964 ( 0.566 2.050 1.515) 2.611 19.034 ( -1.201 1.012 1.068) 1.899 19.376 ( -0.438 0.834 -1.073) 1.428 19.388 ( -0.031 0.405 -1.119) 1.190 19.450 ( -1.231 -2.113 -0.814) 2.577 19.483 ( 0.832 -0.870 -1.282) 1.758 19.504 ( -1.508 0.906 -3.607) 4.013 19.557 ( 0.290 0.036 -3.122) 3.135 19.604 ( -2.339 -1.736 -2.960) 4.153 19.654 ( -1.219 -3.370 -5.396) 6.477 20.033 ( 3.353 2.263 2.568) 4.791 20.085 ( 0.858 2.399 0.515) 2.600 20.097 ( 0.611 -0.245 2.530) 2.614 20.146 ( -1.219 -0.749 1.321) 1.947 29.705 ( 0.577 -0.193 3.331) 3.386 29.746 ( -0.946 -2.059 2.173) 3.139 29.805 ( 0.635 0.154 -0.008) 0.654 29.822 ( 0.893 -0.439 -2.007) 2.241 29.856 ( -1.141 0.088 0.581) 1.284 29.881 ( -0.840 -1.464 -1.675) 2.378 29.929 ( 1.275 0.264 -2.855) 3.138 29.959 ( -0.177 -0.771 -2.962) 3.066 30.672 ( 0.257 0.610 1.087) 1.273 30.687 ( -0.297 0.105 1.021) 1.069 30.727 ( 0.331 1.518 -1.586) 2.220 30.741 ( -0.213 1.066 -1.700) 2.017 31.763 ( 2.060 2.043 4.607) 5.445 31.791 ( 0.941 6.235 5.823) 8.583 31.842 ( 0.073 5.989 5.073) 7.849 31.870 ( 1.639 5.532 3.352) 6.672 31.929 ( -2.463 -0.181 9.069) 9.399 32.009 ( -0.045 -0.819 9.534) 9.569 32.122 ( 0.290 -0.575 8.871) 8.895 32.154 ( -0.335 -0.904 6.728) 6.796 32.279 ( 0.062 4.903 0.089) 4.904 32.315 ( -1.950 2.406 -4.151) 5.179 32.488 ( 1.269 2.240 -2.827) 3.824 32.538 ( -1.016 1.477 -9.008) 9.185 32.802 ( 2.608 9.948 -1.943) 10.466 32.988 ( -4.592 8.293 1.487) 9.595 33.068 ( 1.897 1.827 -8.025) 8.446 33.127 ( -0.390 -1.399 2.365) 2.775 33.295 ( 0.193 -6.162 4.843) 7.840 33.390 ( -1.756 -8.830 0.295) 9.008 33.474 ( 2.237 -6.583 -4.421) 8.239 33.642 ( 0.572 -12.249 -7.040) 14.140 34.501 ( -1.263 6.105 10.644) 12.335 34.622 ( -4.451 0.399 11.402) 12.246 34.960 ( -10.399 11.450 -9.612) 18.211 35.001 ( -6.987 6.328 -5.427) 10.877 35.250 ( -1.932 -0.489 3.244) 3.808 35.263 ( -2.978 0.418 5.007) 5.840 35.357 ( 1.517 3.484 -1.193) 3.983 35.463 ( -1.501 2.120 -4.077) 4.834 35.965 ( 6.036 0.663 0.332) 6.081 36.111 ( 3.888 -2.077 -4.312) 6.167 36.207 ( 4.386 -6.202 -8.520) 11.415 36.228 ( 3.432 -5.609 -10.545) 12.427 36.845 ( 12.960 -0.807 1.741) 13.101 37.041 ( 1.295 1.779 -3.686) 4.293 37.083 ( -0.553 -7.017 4.400) 8.301 37.443 ( -7.005 -14.813 -9.855) 19.121 ======================= Grid point 82 (33/48) ======================= q-point: (-0.50 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.977 ( -12.293 11.942 6.004) 18.159 1.977 ( 12.293 11.942 6.004) 18.159 2.139 ( -3.703 4.524 -1.767) 6.108 2.139 ( 3.703 4.524 -1.767) 6.108 2.392 ( -3.774 3.864 5.727) 7.872 2.392 ( 3.774 3.864 5.727) 7.872 2.454 ( -2.888 4.077 3.498) 6.099 2.454 ( 2.888 4.077 3.498) 6.099 2.607 ( -8.923 0.633 6.663) 11.154 2.607 ( 8.923 0.633 6.663) 11.154 2.822 ( -8.726 8.653 2.252) 12.494 2.822 ( 8.726 8.653 2.252) 12.494 2.914 ( -3.623 -0.248 1.136) 3.805 2.914 ( 3.623 -0.248 1.136) 3.805 3.220 ( -8.298 1.905 -0.909) 8.562 3.220 ( 8.298 1.905 -0.909) 8.562 3.307 ( -5.083 12.028 -1.580) 13.153 3.307 ( 5.083 12.028 -1.580) 13.153 3.418 ( -4.249 5.657 1.150) 7.168 3.418 ( 4.249 5.657 1.150) 7.168 3.473 ( -6.496 2.659 7.674) 10.400 3.473 ( 6.496 2.659 7.674) 10.400 3.638 ( -7.517 0.404 0.561) 7.549 3.638 ( 7.517 0.404 0.561) 7.549 3.839 ( -7.593 -0.589 4.933) 9.074 3.839 ( 7.593 -0.589 4.933) 9.074 3.914 ( -3.378 -5.510 -0.281) 6.469 3.914 ( 3.378 -5.510 -0.281) 6.469 4.033 ( -2.826 2.478 -2.026) 4.270 4.033 ( 2.826 2.478 -2.026) 4.270 4.217 ( -2.362 4.258 4.360) 6.535 4.217 ( 2.362 4.258 4.360) 6.535 4.319 ( -3.887 -4.672 -5.887) 8.461 4.319 ( 3.887 -4.672 -5.887) 8.461 4.384 ( -1.193 2.479 -0.299) 2.767 4.384 ( 1.193 2.479 -0.299) 2.767 4.509 ( -2.833 -3.068 -0.847) 4.261 4.509 ( 2.833 -3.068 -0.847) 4.261 4.595 ( -4.064 -4.256 -7.771) 9.748 4.595 ( 4.064 -4.256 -7.771) 9.748 4.753 ( -0.692 3.543 6.440) 7.383 4.753 ( 0.692 3.543 6.440) 7.383 5.021 ( -1.654 -4.382 7.863) 9.152 5.021 ( 1.654 -4.382 7.863) 9.152 5.044 ( -6.388 -0.402 -4.792) 7.996 5.044 ( 6.388 -0.402 -4.792) 7.996 5.230 ( -4.192 1.419 -0.291) 4.435 5.230 ( 4.192 1.419 -0.291) 4.435 5.268 ( -2.575 -8.184 6.056) 10.502 5.268 ( 2.575 -8.184 6.056) 10.502 5.303 ( -5.032 0.545 4.069) 6.494 5.303 ( 5.032 0.545 4.069) 6.494 5.488 ( -2.515 2.753 3.545) 5.145 5.488 ( 2.515 2.753 3.545) 5.145 5.527 ( -3.271 -0.602 -3.083) 4.535 5.527 ( 3.271 -0.602 -3.083) 4.535 5.658 ( -3.916 1.188 -5.366) 6.748 5.658 ( 3.916 1.188 -5.366) 6.748 5.759 ( -4.262 3.045 1.065) 5.345 5.759 ( 4.262 3.045 1.065) 5.345 5.905 ( -4.972 -6.443 -0.185) 8.141 5.905 ( 4.972 -6.443 -0.185) 8.141 6.054 ( -5.074 -11.050 3.902) 12.770 6.054 ( 5.074 -11.050 3.902) 12.770 6.329 ( -1.487 3.864 -4.119) 5.840 6.329 ( 1.487 3.864 -4.119) 5.840 6.506 ( -3.779 0.536 14.669) 15.158 6.506 ( 3.779 0.536 14.669) 15.158 6.798 ( -4.585 -3.244 -12.908) 14.077 6.798 ( 4.585 -3.244 -12.908) 14.077 6.974 ( -6.252 -0.971 -4.834) 7.962 6.974 ( 6.252 -0.971 -4.834) 7.962 8.694 ( -3.779 0.892 4.900) 6.252 8.694 ( 3.779 0.892 4.900) 6.252 8.807 ( -2.472 1.519 -1.885) 3.460 8.807 ( 2.472 1.519 -1.885) 3.460 8.852 ( -0.809 -2.215 -5.019) 5.545 8.852 ( 0.809 -2.215 -5.019) 5.545 9.056 ( -2.328 3.274 -5.799) 7.055 9.056 ( 2.328 3.274 -5.799) 7.055 9.193 ( -3.356 0.577 2.526) 4.240 9.193 ( 3.356 0.577 2.526) 4.240 9.395 ( -3.122 1.502 -5.981) 6.912 9.395 ( 3.122 1.502 -5.981) 6.912 9.487 ( -0.689 -0.128 1.394) 1.560 9.487 ( 0.689 -0.128 1.394) 1.560 9.608 ( -2.400 -1.693 -0.843) 3.055 9.608 ( 2.400 -1.693 -0.843) 3.055 9.648 ( -1.509 -1.546 0.006) 2.161 9.648 ( 1.509 -1.546 0.006) 2.161 9.841 ( -3.690 1.609 -5.275) 6.635 9.841 ( 3.690 1.609 -5.275) 6.635 9.975 ( -5.919 -2.431 3.209) 7.158 9.975 ( 5.919 -2.431 3.209) 7.158 10.234 ( -5.674 -2.063 -3.494) 6.975 10.234 ( 5.674 -2.063 -3.494) 6.975 10.604 ( -7.442 7.985 -2.755) 11.257 10.604 ( 7.442 7.985 -2.755) 11.257 10.715 ( -1.258 4.687 -4.794) 6.822 10.715 ( 1.258 4.687 -4.794) 6.822 10.935 ( -1.299 4.112 3.051) 5.282 10.935 ( 1.299 4.112 3.051) 5.282 11.092 ( -2.415 7.193 -3.300) 8.274 11.092 ( 2.415 7.193 -3.300) 8.274 11.389 ( -4.514 -4.259 11.125) 12.739 11.389 ( 4.514 -4.259 11.125) 12.739 11.480 ( -3.498 -3.239 6.050) 7.702 11.480 ( 3.498 -3.239 6.050) 7.702 11.636 ( -3.076 -4.004 0.655) 5.092 11.636 ( 3.076 -4.004 0.655) 5.092 12.020 ( -1.341 -6.060 -12.021) 13.528 12.020 ( 1.341 -6.060 -12.021) 13.528 12.887 ( -0.690 -0.115 1.759) 1.893 12.887 ( 0.690 -0.115 1.759) 1.893 12.973 ( -0.918 -2.679 -2.132) 3.545 12.973 ( 0.918 -2.679 -2.132) 3.545 13.104 ( -0.676 -1.020 -0.450) 1.304 13.104 ( 0.676 -1.020 -0.450) 1.304 13.193 ( -1.635 0.809 -0.499) 1.892 13.193 ( 1.635 0.809 -0.499) 1.892 13.252 ( -0.811 -3.805 -0.162) 3.894 13.252 ( 0.811 -3.805 -0.162) 3.894 13.424 ( -1.571 1.104 -6.463) 6.742 13.424 ( 1.571 1.104 -6.463) 6.742 13.559 ( -2.380 -0.143 1.899) 3.048 13.559 ( 2.380 -0.143 1.899) 3.048 13.637 ( -3.464 2.664 0.014) 4.370 13.637 ( 3.464 2.664 0.014) 4.370 13.794 ( -3.217 -0.311 -2.044) 3.823 13.794 ( 3.217 -0.311 -2.044) 3.823 13.900 ( -1.665 -0.346 -4.283) 4.609 13.900 ( 1.665 -0.346 -4.283) 4.609 14.090 ( -0.233 -0.927 0.288) 0.998 14.090 ( 0.233 -0.927 0.288) 0.998 14.167 ( -1.157 0.696 -2.010) 2.421 14.167 ( 1.157 0.696 -2.010) 2.421 15.355 ( -2.498 -1.686 10.499) 10.923 15.355 ( 2.498 -1.686 10.499) 10.923 15.596 ( -0.958 -0.689 -2.275) 2.563 15.596 ( 0.958 -0.689 -2.275) 2.563 16.008 ( -1.865 -2.600 2.329) 3.958 16.008 ( 1.865 -2.600 2.329) 3.958 16.231 ( -1.679 -1.092 -6.971) 7.253 16.231 ( 1.679 -1.092 -6.971) 7.253 17.499 ( -0.186 -1.293 2.095) 2.469 17.499 ( 0.186 -1.293 2.095) 2.469 17.547 ( -1.110 -0.403 -0.651) 1.348 17.547 ( 1.110 -0.403 -0.651) 1.348 17.673 ( -0.649 -0.626 2.222) 2.398 17.673 ( 0.649 -0.626 2.222) 2.398 17.784 ( -1.029 0.775 -2.454) 2.772 17.784 ( 1.029 0.775 -2.454) 2.772 17.956 ( -2.498 -0.477 1.241) 2.829 17.956 ( 2.498 -0.477 1.241) 2.829 17.991 ( -1.206 -0.067 -0.812) 1.455 17.991 ( 1.206 -0.067 -0.812) 1.455 18.084 ( -0.628 0.264 1.254) 1.428 18.084 ( 0.628 0.264 1.254) 1.428 18.160 ( -2.001 0.300 -1.648) 2.610 18.160 ( 2.001 0.300 -1.648) 2.610 18.528 ( -3.360 -1.080 8.420) 9.130 18.528 ( 3.360 -1.080 8.420) 9.130 18.701 ( -5.863 -0.190 0.876) 5.932 18.701 ( 5.863 -0.190 0.876) 5.932 18.831 ( -1.603 2.172 7.802) 8.255 18.831 ( 1.603 2.172 7.802) 8.255 18.995 ( -2.158 1.241 1.378) 2.845 18.995 ( 2.158 1.241 1.378) 2.845 19.382 ( -0.820 -0.227 -1.464) 1.693 19.382 ( 0.820 -0.227 -1.464) 1.693 19.445 ( -1.933 0.369 -2.866) 3.476 19.445 ( 1.933 0.369 -2.866) 3.476 19.535 ( -2.544 -0.314 -2.404) 3.514 19.535 ( 2.544 -0.314 -2.404) 3.514 19.611 ( -2.525 -2.247 -4.958) 6.000 19.611 ( 2.525 -2.247 -4.958) 6.000 20.094 ( -1.112 1.314 2.093) 2.709 20.094 ( 1.112 1.314 2.093) 2.709 20.109 ( -1.471 0.645 1.291) 2.061 20.109 ( 1.471 0.645 1.291) 2.061 29.723 ( -1.139 -0.920 2.588) 2.974 29.723 ( 1.139 -0.920 2.588) 2.974 29.822 ( -0.838 0.548 -0.804) 1.284 29.822 ( 0.838 0.548 -0.804) 1.284 29.858 ( -1.171 -1.465 -0.347) 1.907 29.858 ( 1.171 -1.465 -0.347) 1.907 29.950 ( -0.726 -0.359 -3.082) 3.186 29.950 ( 0.726 -0.359 -3.082) 3.186 30.679 ( -0.394 0.421 1.102) 1.243 30.679 ( 0.394 0.421 1.102) 1.243 30.735 ( -0.375 1.318 -1.636) 2.134 30.735 ( 0.375 1.318 -1.636) 2.134 31.808 ( -0.689 5.408 4.935) 7.354 31.808 ( 0.689 5.408 4.935) 7.354 31.840 ( -2.475 4.211 3.757) 6.163 31.840 ( 2.475 4.211 3.757) 6.163 31.967 ( -3.737 -2.183 10.171) 11.054 31.967 ( 3.737 -2.183 10.171) 11.054 32.137 ( -1.108 -0.385 8.658) 8.737 32.137 ( 1.108 -0.385 8.658) 8.737 32.286 ( -0.737 4.743 -2.253) 5.303 32.286 ( 0.737 4.743 -2.253) 5.303 32.514 ( -1.228 0.885 -6.910) 7.074 32.514 ( 1.228 0.885 -6.910) 7.074 32.879 ( -4.847 10.029 1.865) 11.294 32.879 ( 4.847 10.029 1.865) 11.294 33.115 ( -2.164 2.788 -5.168) 6.258 33.115 ( 2.164 2.788 -5.168) 6.258 33.319 ( -3.348 -7.727 3.840) 9.256 33.319 ( 3.348 -7.727 3.840) 9.256 33.584 ( -5.663 -7.602 -6.966) 11.764 33.584 ( 5.663 -7.602 -6.966) 11.764 34.530 ( -3.917 1.229 9.997) 10.807 34.530 ( 3.917 1.229 9.997) 10.807 34.867 ( -3.026 7.258 -6.559) 10.240 34.867 ( 3.026 7.258 -6.559) 10.240 35.235 ( -0.696 0.730 4.590) 4.699 35.235 ( 0.696 0.730 4.590) 4.699 35.413 ( -2.987 4.219 -2.702) 5.833 35.413 ( 2.987 4.219 -2.702) 5.833 36.089 ( -4.676 0.132 0.006) 4.678 36.089 ( 4.676 0.132 0.006) 4.678 36.266 ( -0.583 -5.546 -7.771) 9.565 36.266 ( 0.583 -5.546 -7.771) 9.565 37.015 ( -3.346 -4.292 1.828) 5.741 37.015 ( 3.346 -4.292 1.828) 5.741 37.236 ( -12.416 -9.107 -9.013) 17.842 37.236 ( 12.416 -9.107 -9.013) 17.842 ======================= Grid point 85 (34/48) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.916 ( 0.000 -1.176 11.677) 11.736 1.916 ( 0.000 1.176 11.677) 11.736 2.134 ( 0.000 -11.381 -0.612) 11.397 2.134 ( 0.000 11.381 -0.612) 11.397 2.228 ( 0.000 -0.508 6.146) 6.167 2.228 ( 0.000 0.508 6.146) 6.167 2.494 ( 0.000 -1.237 -2.770) 3.034 2.494 ( 0.000 1.237 -2.770) 3.034 2.659 ( 0.000 -2.129 11.630) 11.823 2.659 ( 0.000 2.129 11.630) 11.823 2.833 ( 0.000 -7.193 -3.072) 7.821 2.833 ( 0.000 7.193 -3.072) 7.821 3.016 ( 0.000 -2.313 -6.484) 6.885 3.016 ( 0.000 2.313 -6.484) 6.885 3.069 ( 0.000 -0.197 13.314) 13.315 3.069 ( 0.000 0.197 13.314) 13.315 3.218 ( 0.000 -6.543 -7.544) 9.986 3.218 ( 0.000 6.543 -7.544) 9.986 3.383 ( 0.000 -5.630 5.149) 7.630 3.383 ( 0.000 5.630 5.149) 7.630 3.646 ( 0.000 -0.188 0.518) 0.551 3.646 ( 0.000 0.188 0.518) 0.551 3.751 ( 0.000 -7.921 6.320) 10.134 3.751 ( 0.000 7.921 6.320) 10.134 3.873 ( 0.000 -3.825 0.546) 3.863 3.873 ( 0.000 3.825 0.546) 3.863 3.970 ( 0.000 -15.151 -8.182) 17.219 3.970 ( 0.000 15.151 -8.182) 17.219 4.131 ( 0.000 -12.483 -1.324) 12.553 4.131 ( 0.000 12.483 -1.324) 12.553 4.180 ( 0.000 -9.648 -4.299) 10.563 4.180 ( 0.000 9.648 -4.299) 10.563 4.365 ( 0.000 -0.987 -0.645) 1.180 4.365 ( 0.000 0.987 -0.645) 1.180 4.457 ( 0.000 -9.013 -0.333) 9.020 4.457 ( 0.000 9.013 -0.333) 9.020 4.538 ( 0.000 -0.199 6.366) 6.369 4.538 ( 0.000 0.199 6.366) 6.369 4.632 ( 0.000 -8.087 4.745) 9.377 4.632 ( 0.000 8.087 4.745) 9.377 4.680 ( 0.000 -4.574 -6.445) 7.903 4.680 ( 0.000 4.574 -6.445) 7.903 4.856 ( 0.000 -12.669 -0.112) 12.670 4.856 ( 0.000 12.669 -0.112) 12.670 5.034 ( 0.000 -6.713 3.025) 7.363 5.034 ( 0.000 6.713 3.025) 7.363 5.117 ( 0.000 -3.953 6.735) 7.809 5.117 ( 0.000 3.953 6.735) 7.809 5.224 ( 0.000 -0.773 -1.081) 1.329 5.224 ( 0.000 0.773 -1.081) 1.329 5.299 ( 0.000 -0.232 2.162) 2.174 5.299 ( 0.000 0.232 2.162) 2.174 5.418 ( 0.000 -2.609 3.647) 4.484 5.418 ( 0.000 2.609 3.647) 4.484 5.623 ( 0.000 -1.926 2.913) 3.492 5.623 ( 0.000 1.926 2.913) 3.492 5.688 ( 0.000 -2.741 8.412) 8.847 5.688 ( 0.000 2.741 8.412) 8.847 5.757 ( 0.000 -1.949 -7.929) 8.165 5.757 ( 0.000 1.949 -7.929) 8.165 5.946 ( 0.000 -8.074 2.843) 8.560 5.946 ( 0.000 8.074 2.843) 8.560 6.058 ( 0.000 -5.770 -5.689) 8.103 6.058 ( 0.000 5.770 -5.689) 8.103 6.359 ( 0.000 -0.421 3.913) 3.935 6.359 ( 0.000 0.421 3.913) 3.935 6.537 ( 0.000 -0.483 8.007) 8.021 6.537 ( 0.000 0.483 8.007) 8.021 6.815 ( 0.000 -5.167 -5.418) 7.487 6.815 ( 0.000 5.167 -5.418) 7.487 6.958 ( 0.000 -0.023 -9.687) 9.687 6.958 ( 0.000 0.023 -9.687) 9.687 8.640 ( 0.000 -2.119 2.627) 3.375 8.640 ( 0.000 2.119 2.627) 3.375 8.799 ( 0.000 -0.872 -8.242) 8.288 8.799 ( 0.000 0.872 -8.242) 8.288 8.922 ( 0.000 -0.417 2.665) 2.697 8.922 ( 0.000 0.417 2.665) 2.697 9.160 ( 0.000 -0.567 0.571) 0.805 9.160 ( 0.000 0.567 0.571) 0.805 9.199 ( 0.000 -2.348 -7.173) 7.548 9.199 ( 0.000 2.348 -7.173) 7.548 9.297 ( 0.000 -0.480 -3.246) 3.281 9.297 ( 0.000 0.480 -3.246) 3.281 9.472 ( 0.000 -0.035 4.320) 4.320 9.472 ( 0.000 0.035 4.320) 4.320 9.614 ( 0.000 -0.355 0.816) 0.889 9.614 ( 0.000 0.355 0.816) 0.889 9.665 ( 0.000 -4.470 -4.009) 6.005 9.665 ( 0.000 4.470 -4.009) 6.005 9.856 ( 0.000 -10.316 0.400) 10.324 9.856 ( 0.000 10.316 0.400) 10.324 9.896 ( 0.000 -4.258 1.730) 4.595 9.896 ( 0.000 4.258 1.730) 4.595 10.203 ( 0.000 -10.014 -6.635) 12.013 10.203 ( 0.000 10.014 -6.635) 12.013 10.523 ( 0.000 -0.154 1.550) 1.557 10.523 ( 0.000 0.154 1.550) 1.557 10.768 ( 0.000 -6.103 -6.624) 9.007 10.768 ( 0.000 6.103 -6.624) 9.007 11.089 ( 0.000 -0.087 2.074) 2.076 11.089 ( 0.000 0.087 2.074) 2.076 11.120 ( 0.000 -2.977 3.954) 4.949 11.120 ( 0.000 2.977 3.954) 4.949 11.344 ( 0.000 -1.487 2.873) 3.235 11.344 ( 0.000 1.487 2.873) 3.235 11.489 ( 0.000 -6.383 12.693) 14.208 11.489 ( 0.000 6.383 12.693) 14.208 11.549 ( 0.000 -3.100 -3.805) 4.908 11.549 ( 0.000 3.100 -3.805) 4.908 12.000 ( 0.000 -4.160 -12.956) 13.607 12.000 ( 0.000 4.160 -12.956) 13.607 12.888 ( 0.000 -2.142 1.535) 2.635 12.888 ( 0.000 2.142 1.535) 2.635 12.948 ( 0.000 -1.500 -0.599) 1.615 12.948 ( 0.000 1.500 -0.599) 1.615 13.115 ( 0.000 -2.227 -2.532) 3.372 13.115 ( 0.000 2.227 -2.532) 3.372 13.167 ( 0.000 -2.645 -2.132) 3.397 13.167 ( 0.000 2.645 -2.132) 3.397 13.266 ( 0.000 -0.131 4.025) 4.028 13.266 ( 0.000 0.131 4.025) 4.028 13.464 ( 0.000 -1.369 -5.703) 5.865 13.464 ( 0.000 1.369 -5.703) 5.865 13.544 ( 0.000 -3.418 -1.423) 3.703 13.544 ( 0.000 3.418 -1.423) 3.703 13.640 ( 0.000 -4.834 -2.002) 5.232 13.640 ( 0.000 4.834 -2.002) 5.232 13.839 ( 0.000 -0.923 -1.472) 1.737 13.839 ( 0.000 0.923 -1.472) 1.737 13.934 ( 0.000 -2.070 -1.310) 2.449 13.934 ( 0.000 2.070 -1.310) 2.449 14.037 ( 0.000 -0.456 -0.187) 0.492 14.037 ( 0.000 0.456 -0.187) 0.492 14.125 ( 0.000 -0.011 -4.372) 4.372 14.125 ( 0.000 0.011 -4.372) 4.372 15.313 ( 0.000 -2.826 10.708) 11.075 15.313 ( 0.000 2.826 10.708) 11.075 15.590 ( 0.000 -1.072 -3.761) 3.911 15.590 ( 0.000 1.072 -3.761) 3.911 16.009 ( 0.000 -2.084 2.517) 3.268 16.009 ( 0.000 2.084 2.517) 3.268 16.249 ( 0.000 -2.314 -7.696) 8.036 16.249 ( 0.000 2.314 -7.696) 8.036 17.520 ( 0.000 -0.971 1.334) 1.649 17.520 ( 0.000 0.971 1.334) 1.649 17.578 ( 0.000 -0.002 0.015) 0.015 17.578 ( 0.000 0.002 0.015) 0.015 17.676 ( 0.000 -0.048 0.293) 0.297 17.676 ( 0.000 0.048 0.293) 0.297 17.736 ( 0.000 -2.204 -1.206) 2.512 17.736 ( 0.000 2.204 -1.206) 2.512 17.931 ( 0.000 -0.752 0.592) 0.957 17.931 ( 0.000 0.752 0.592) 0.957 17.996 ( 0.000 -0.200 -1.996) 2.006 17.996 ( 0.000 0.200 -1.996) 2.006 18.065 ( 0.000 -0.259 2.226) 2.241 18.065 ( 0.000 0.259 2.226) 2.241 18.197 ( 0.000 -2.430 -2.200) 3.278 18.197 ( 0.000 2.430 -2.200) 3.278 18.426 ( 0.000 -0.971 9.233) 9.284 18.426 ( 0.000 0.971 9.233) 9.284 18.711 ( 0.000 -1.502 -1.271) 1.967 18.711 ( 0.000 1.502 -1.271) 1.967 18.869 ( 0.000 -0.299 7.561) 7.567 18.869 ( 0.000 0.299 7.561) 7.567 19.022 ( 0.000 -2.379 2.500) 3.452 19.022 ( 0.000 2.379 2.500) 3.452 19.404 ( 0.000 -0.427 -0.905) 1.001 19.404 ( 0.000 0.427 -0.905) 1.001 19.435 ( 0.000 -0.000 -1.541) 1.541 19.435 ( 0.000 0.000 -1.541) 1.541 19.563 ( 0.000 -0.106 -2.022) 2.025 19.563 ( 0.000 0.106 -2.022) 2.025 19.607 ( 0.000 -0.351 -4.248) 4.263 19.607 ( 0.000 0.351 -4.248) 4.263 20.050 ( 0.000 -2.738 3.311) 4.297 20.050 ( 0.000 2.738 3.311) 4.297 20.125 ( 0.000 -1.992 0.667) 2.101 20.125 ( 0.000 1.992 0.667) 2.101 29.713 ( 0.000 -1.402 3.171) 3.467 29.713 ( 0.000 1.402 3.171) 3.467 29.803 ( 0.000 -0.374 -0.979) 1.048 29.803 ( 0.000 0.374 -0.979) 1.048 29.875 ( 0.000 -0.074 -0.944) 0.947 29.875 ( 0.000 0.074 -0.944) 0.947 29.936 ( 0.000 -1.521 -2.954) 3.323 29.936 ( 0.000 1.521 -2.954) 3.323 30.683 ( 0.000 -0.598 1.223) 1.362 30.683 ( 0.000 0.598 1.223) 1.362 30.746 ( 0.000 -0.612 -1.948) 2.042 30.746 ( 0.000 0.612 -1.948) 2.042 31.784 ( 0.000 -0.255 8.442) 8.446 31.784 ( 0.000 0.255 8.442) 8.446 31.940 ( 0.000 -1.327 4.869) 5.047 31.940 ( 0.000 1.327 4.869) 5.047 31.995 ( 0.000 -0.812 6.250) 6.302 31.995 ( 0.000 0.812 6.250) 6.302 32.111 ( 0.000 -1.262 9.368) 9.453 32.111 ( 0.000 1.262 9.368) 9.453 32.331 ( 0.000 -1.235 -5.112) 5.259 32.331 ( 0.000 1.235 -5.112) 5.259 32.547 ( 0.000 -2.269 -6.962) 7.322 32.547 ( 0.000 2.269 -6.962) 7.322 32.991 ( 0.000 -9.469 1.812) 9.641 32.991 ( 0.000 9.469 1.812) 9.641 33.133 ( 0.000 -0.254 6.889) 6.893 33.133 ( 0.000 0.254 6.889) 6.893 33.236 ( 0.000 -8.107 -7.919) 11.333 33.236 ( 0.000 8.107 -7.919) 11.333 33.411 ( 0.000 -0.024 -4.917) 4.917 33.411 ( 0.000 0.024 -4.917) 4.917 34.651 ( 0.000 -3.882 15.727) 16.199 34.651 ( 0.000 3.882 15.727) 16.199 35.216 ( 0.000 -0.595 -4.992) 5.027 35.216 ( 0.000 0.595 -4.992) 5.027 35.294 ( 0.000 -6.233 -0.962) 6.307 35.294 ( 0.000 6.233 -0.962) 6.307 35.398 ( 0.000 -1.802 -1.403) 2.283 35.398 ( 0.000 1.802 -1.403) 2.283 35.968 ( 0.000 -0.104 -8.218) 8.219 35.968 ( 0.000 0.104 -8.218) 8.219 36.075 ( 0.000 -0.948 -11.630) 11.669 36.075 ( 0.000 0.948 -11.630) 11.669 36.868 ( 0.000 -11.127 9.167) 14.417 36.868 ( 0.000 11.127 9.167) 14.417 37.225 ( 0.000 -12.829 -8.143) 15.195 37.225 ( 0.000 12.829 -8.143) 15.195 ======================= Grid point 87 (35/48) ======================= q-point: ( 0.25 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.940 ( 6.544 -0.000 13.426) 14.936 2.018 ( 8.057 0.000 3.720) 8.874 2.106 ( 3.946 0.000 -1.324) 4.163 2.159 ( 1.020 0.000 0.671) 1.221 2.364 ( 7.335 0.000 10.131) 12.508 2.433 ( -1.479 0.000 -4.093) 4.352 2.532 ( 8.000 -0.000 -0.885) 8.048 2.568 ( 1.546 0.000 -0.641) 1.673 2.671 ( 14.112 -0.000 5.033) 14.983 2.686 ( -13.089 0.000 -1.684) 13.197 2.771 ( -0.337 -0.000 6.537) 6.546 2.787 ( -5.857 0.000 1.473) 6.040 2.979 ( -5.230 0.000 10.049) 11.328 2.986 ( 16.203 -0.000 7.630) 17.910 3.059 ( -1.193 -0.000 3.220) 3.433 3.126 ( 2.529 0.000 3.365) 4.210 3.262 ( 6.248 0.000 -0.082) 6.248 3.346 ( 5.052 0.000 -5.853) 7.732 3.413 ( 5.098 0.000 1.897) 5.439 3.435 ( 3.638 0.000 0.255) 3.647 3.575 ( -2.915 -0.000 3.418) 4.492 3.577 ( -4.940 0.000 1.853) 5.276 3.688 ( -6.965 0.000 3.616) 7.848 3.762 ( -2.739 0.000 1.881) 3.323 3.831 ( 0.288 -0.000 -1.071) 1.109 3.878 ( -2.818 0.000 0.949) 2.973 3.933 ( 1.027 -0.000 0.781) 1.290 4.008 ( -10.549 0.000 3.187) 11.020 4.046 ( 3.726 -0.000 -1.799) 4.137 4.092 ( -6.360 0.000 -1.413) 6.516 4.189 ( 0.643 -0.000 -12.425) 12.441 4.252 ( -0.461 0.000 1.937) 1.991 4.315 ( 4.283 0.000 -5.623) 7.069 4.403 ( -1.857 0.000 2.036) 2.756 4.420 ( 3.074 0.000 -1.182) 3.294 4.467 ( 0.506 0.000 -0.141) 0.525 4.491 ( -4.139 -0.000 1.125) 4.289 4.502 ( -2.947 0.000 -0.467) 2.984 4.542 ( -7.376 -0.000 -8.742) 11.438 4.542 ( -5.458 0.000 1.290) 5.609 4.740 ( 1.318 0.000 -4.010) 4.221 4.745 ( 2.761 -0.000 0.030) 2.761 4.894 ( 2.147 0.000 -3.732) 4.306 4.925 ( 4.777 -0.000 1.241) 4.935 4.992 ( 2.123 0.000 4.342) 4.833 5.028 ( 1.815 0.000 10.302) 10.461 5.128 ( -2.296 0.000 9.570) 9.841 5.154 ( -1.277 0.000 5.623) 5.766 5.239 ( 7.461 0.000 -1.518) 7.614 5.286 ( 4.262 -0.000 0.390) 4.280 5.350 ( 1.419 0.000 -0.543) 1.519 5.378 ( 3.147 0.000 -1.470) 3.474 5.398 ( 1.342 0.000 6.837) 6.968 5.454 ( 3.921 0.000 7.281) 8.269 5.602 ( -2.778 -0.000 2.480) 3.724 5.624 ( -0.199 0.000 -2.402) 2.410 5.661 ( -3.697 -0.000 0.996) 3.829 5.664 ( -2.042 0.000 5.952) 6.293 5.712 ( 0.995 0.000 -0.909) 1.347 5.784 ( -0.080 0.000 -2.361) 2.363 5.813 ( -5.254 0.000 7.610) 9.247 5.937 ( -4.552 0.000 -3.857) 5.966 6.008 ( -4.843 -0.000 -1.418) 5.047 6.027 ( -4.461 0.000 -2.941) 5.343 6.322 ( 1.688 0.000 7.921) 8.099 6.459 ( 4.178 0.000 -1.608) 4.477 6.481 ( -3.750 0.000 0.724) 3.819 6.523 ( -0.974 -0.000 11.317) 11.359 6.733 ( -3.668 -0.000 -0.957) 3.791 6.805 ( -6.093 0.000 -10.092) 11.788 6.928 ( 3.693 0.000 -9.746) 10.422 7.017 ( 0.950 0.000 -7.136) 7.199 8.638 ( 1.459 0.000 4.536) 4.764 8.694 ( 2.808 -0.000 3.430) 4.433 8.804 ( 1.181 0.000 -7.242) 7.338 8.819 ( 0.588 0.000 -6.121) 6.149 8.830 ( -4.576 0.000 1.153) 4.719 8.928 ( -2.724 0.000 -0.697) 2.811 9.071 ( -2.202 0.000 -2.475) 3.313 9.144 ( -0.292 0.000 -4.754) 4.763 9.156 ( -3.159 0.000 -6.721) 7.427 9.279 ( 1.939 0.000 3.457) 3.964 9.327 ( 4.133 -0.000 -5.872) 7.180 9.416 ( 1.313 0.000 1.526) 2.013 9.464 ( 3.958 0.000 1.473) 4.223 9.489 ( 0.435 0.000 4.485) 4.506 9.557 ( -0.308 0.000 -5.901) 5.909 9.634 ( 1.221 0.000 -0.673) 1.394 9.642 ( -2.567 0.000 0.593) 2.635 9.644 ( -5.866 -0.000 -1.050) 5.959 9.775 ( 3.194 0.000 -6.416) 7.167 9.907 ( 2.617 0.000 6.383) 6.899 9.933 ( 1.688 0.000 4.302) 4.621 9.936 ( -1.279 -0.000 -5.720) 5.861 10.211 ( -0.364 0.000 -5.171) 5.184 10.214 ( 0.898 -0.000 -5.078) 5.157 10.537 ( 6.204 0.000 -0.286) 6.211 10.639 ( 6.488 0.000 -1.535) 6.667 10.740 ( 0.471 0.000 -6.758) 6.775 10.829 ( 0.530 0.000 -8.029) 8.046 11.035 ( -3.930 0.000 6.433) 7.539 11.045 ( -2.812 -0.000 3.352) 4.375 11.136 ( 2.738 0.000 3.687) 4.592 11.151 ( 0.156 -0.000 1.656) 1.664 11.288 ( -1.931 0.000 3.538) 4.031 11.422 ( -1.309 0.000 8.073) 8.178 11.440 ( -2.091 0.000 4.496) 4.959 11.444 ( 1.914 -0.000 7.469) 7.710 11.564 ( -0.851 -0.000 -0.342) 0.917 11.572 ( 1.762 0.000 0.513) 1.835 11.963 ( -1.960 -0.000 -11.043) 11.216 11.992 ( -1.679 0.000 -12.913) 13.022 12.876 ( 0.145 0.000 1.092) 1.102 12.907 ( 0.469 0.000 2.578) 2.620 12.938 ( -0.238 -0.000 -1.022) 1.049 12.944 ( -0.674 0.000 -0.475) 0.824 13.096 ( -0.631 -0.000 -0.817) 1.032 13.113 ( -1.331 0.000 -2.841) 3.137 13.177 ( 2.288 -0.000 -3.926) 4.544 13.193 ( 0.782 0.000 -1.013) 1.279 13.228 ( -2.027 0.000 4.622) 5.047 13.254 ( -1.742 0.000 0.979) 1.998 13.431 ( -0.588 0.000 -6.445) 6.471 13.476 ( -1.991 0.000 -8.674) 8.899 13.526 ( 0.631 0.000 2.410) 2.491 13.562 ( 0.441 0.000 0.266) 0.515 13.650 ( 0.683 0.000 -1.075) 1.274 13.686 ( 4.060 -0.000 -1.785) 4.435 13.744 ( -4.237 0.000 -0.291) 4.247 13.858 ( -0.921 0.000 -3.377) 3.500 13.895 ( -3.102 0.000 -3.700) 4.828 13.940 ( -1.119 0.000 -3.585) 3.756 14.047 ( 2.722 0.000 2.327) 3.581 14.071 ( 0.549 0.000 -1.536) 1.631 14.137 ( 2.415 0.000 -1.831) 3.031 14.159 ( 1.476 0.000 -3.306) 3.621 15.321 ( 0.958 0.000 10.852) 10.894 15.330 ( 1.017 0.000 10.505) 10.554 15.582 ( -0.081 0.000 -2.787) 2.788 15.598 ( -0.008 0.000 -3.321) 3.321 15.978 ( -0.970 0.000 2.764) 2.929 16.012 ( -0.966 0.000 2.024) 2.243 16.234 ( -1.186 -0.000 -7.380) 7.475 16.235 ( -1.179 0.000 -7.907) 7.994 17.504 ( -1.054 0.000 2.033) 2.290 17.512 ( -2.636 0.000 1.654) 3.112 17.526 ( 0.403 0.000 0.190) 0.445 17.584 ( -2.406 0.000 -1.631) 2.907 17.644 ( 0.728 0.000 2.706) 2.802 17.688 ( -0.780 0.000 1.307) 1.522 17.766 ( 1.898 0.000 -3.160) 3.686 17.774 ( 2.043 0.000 -2.155) 2.969 17.906 ( 0.832 0.000 0.929) 1.247 17.967 ( 0.050 0.000 -1.976) 1.976 17.983 ( 1.489 -0.000 0.510) 1.574 18.020 ( -2.710 0.000 2.230) 3.509 18.059 ( 2.632 0.000 -0.385) 2.660 18.084 ( 0.538 0.000 1.882) 1.957 18.165 ( -1.323 0.000 -1.490) 1.993 18.198 ( -1.097 0.000 -3.035) 3.227 18.449 ( 2.902 0.000 10.283) 10.685 18.501 ( 4.730 0.000 6.815) 8.296 18.645 ( -1.860 0.000 1.218) 2.223 18.766 ( 0.587 0.000 -4.627) 4.664 18.839 ( -1.085 0.000 11.137) 11.190 18.876 ( -0.350 0.000 7.717) 7.725 18.992 ( -0.629 0.000 1.875) 1.978 19.036 ( -0.647 0.000 2.986) 3.056 19.388 ( -0.944 0.000 -2.200) 2.394 19.399 ( -1.043 -0.000 -0.306) 1.087 19.419 ( 0.373 0.000 -2.114) 2.146 19.472 ( 1.479 0.000 -0.865) 1.713 19.516 ( -1.573 0.000 -4.679) 4.937 19.572 ( -1.122 -0.000 -4.865) 4.993 19.573 ( -1.246 0.000 -1.931) 2.298 19.616 ( -0.621 0.000 -3.751) 3.802 20.073 ( 2.157 -0.000 2.605) 3.382 20.076 ( 1.788 0.000 3.009) 3.500 20.120 ( -0.254 0.000 1.059) 1.089 20.131 ( -0.006 -0.000 1.035) 1.035 29.707 ( 0.021 0.000 3.043) 3.043 29.720 ( 0.010 0.000 3.100) 3.100 29.810 ( 0.835 -0.000 -1.444) 1.668 29.813 ( 0.758 0.000 -0.768) 1.080 29.859 ( -1.104 0.000 -0.089) 1.107 29.865 ( -1.046 0.000 -0.869) 1.360 29.941 ( 0.413 0.000 -3.224) 3.250 29.943 ( 0.421 -0.000 -2.954) 2.984 30.682 ( 0.035 0.000 1.248) 1.248 30.685 ( 0.035 0.000 1.265) 1.265 30.747 ( 0.082 -0.414 -1.952) 1.997 30.747 ( 0.082 0.414 -1.910) 1.956 31.781 ( 1.682 0.000 6.424) 6.641 31.847 ( 3.639 0.000 9.924) 10.570 31.909 ( -0.800 0.000 2.204) 2.345 31.924 ( -2.787 0.000 9.391) 9.796 31.968 ( -1.676 -0.000 0.532) 1.758 31.989 ( -1.588 0.000 10.400) 10.521 32.112 ( 0.677 0.000 9.274) 9.299 32.129 ( 0.708 0.000 11.035) 11.058 32.306 ( 0.497 0.000 -7.234) 7.251 32.372 ( 0.656 0.000 -4.290) 4.340 32.513 ( -0.918 0.000 -6.030) 6.100 32.557 ( -0.710 0.000 -6.949) 6.986 32.967 ( -0.312 0.000 1.158) 1.200 33.010 ( -1.268 0.000 3.998) 4.194 33.111 ( 2.020 0.000 6.545) 6.849 33.157 ( 0.545 -0.000 0.900) 1.052 33.234 ( 0.749 0.000 -2.352) 2.468 33.282 ( -0.349 0.000 -8.480) 8.487 33.394 ( 2.820 0.000 -5.965) 6.598 33.468 ( 2.281 -0.000 -5.708) 6.147 34.594 ( -4.034 -0.000 13.355) 13.951 34.597 ( -4.158 0.000 13.530) 14.154 35.067 ( -10.668 0.000 -8.264) 13.495 35.083 ( -10.169 0.000 -9.665) 14.029 35.241 ( -0.735 0.000 4.135) 4.200 35.268 ( -1.595 0.000 5.948) 6.158 35.417 ( 2.350 0.000 -3.186) 3.959 35.467 ( 1.427 0.000 -2.106) 2.543 35.992 ( 5.679 -0.000 -4.021) 6.958 36.083 ( 3.626 0.000 -7.471) 8.304 36.133 ( 5.343 0.000 -7.340) 9.079 36.156 ( 4.329 0.000 -10.960) 11.784 36.891 ( 3.209 -0.000 6.350) 7.114 36.922 ( 3.944 0.000 4.689) 6.127 37.177 ( -3.401 0.000 -7.157) 7.924 37.204 ( -2.709 -0.000 -8.095) 8.537 ======================= Grid point 89 (36/48) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.117 ( -5.559 0.000 5.011) 7.484 2.117 ( 5.559 -0.000 5.011) 7.484 2.194 ( -1.209 -0.000 -2.948) 3.186 2.194 ( 1.209 -0.000 -2.948) 3.186 2.380 ( -1.676 0.000 5.674) 5.916 2.380 ( 1.676 0.000 5.674) 5.916 2.525 ( -1.513 -0.000 0.015) 1.513 2.525 ( 1.513 0.000 0.015) 1.513 2.602 ( -6.260 0.000 5.933) 8.625 2.602 ( 6.260 0.000 5.933) 8.625 2.869 ( -5.303 0.000 4.007) 6.647 2.869 ( 5.303 0.000 4.007) 6.647 3.021 ( -2.148 0.000 -2.651) 3.412 3.021 ( 2.148 0.000 -2.651) 3.412 3.217 ( -7.783 0.000 0.619) 7.807 3.217 ( 7.783 0.000 0.619) 7.807 3.382 ( -2.176 0.000 9.188) 9.442 3.382 ( 2.176 0.000 9.188) 9.442 3.467 ( -0.095 0.000 0.080) 0.124 3.467 ( 0.095 0.000 0.080) 0.124 3.564 ( -7.386 0.000 8.124) 10.979 3.564 ( 7.386 0.000 8.124) 10.979 3.646 ( -10.598 0.000 4.893) 11.673 3.646 ( 10.598 0.000 4.893) 11.673 3.780 ( -1.005 0.000 2.110) 2.337 3.780 ( 1.005 0.000 2.110) 2.337 3.890 ( -1.855 0.000 2.768) 3.332 3.890 ( 1.855 0.000 2.768) 3.332 4.030 ( -4.633 0.000 -6.951) 8.353 4.030 ( 4.633 0.000 -6.951) 8.353 4.290 ( -9.186 0.000 -11.344) 14.596 4.290 ( 9.186 0.000 -11.344) 14.596 4.374 ( -2.379 0.000 -2.578) 3.508 4.374 ( 2.379 -0.000 -2.578) 3.508 4.420 ( -1.663 0.000 -2.498) 3.001 4.420 ( 1.663 -0.000 -2.498) 3.001 4.424 ( -3.898 -0.000 -1.485) 4.171 4.424 ( 3.898 -0.000 -1.485) 4.171 4.494 ( -0.631 0.000 -1.182) 1.340 4.494 ( 0.631 0.000 -1.182) 1.340 4.751 ( -0.901 0.000 1.374) 1.643 4.751 ( 0.901 0.000 1.374) 1.643 4.951 ( -2.145 0.000 -4.230) 4.742 4.951 ( 2.145 0.000 -4.230) 4.742 5.090 ( -4.682 -0.000 5.284) 7.060 5.090 ( 4.682 0.000 5.284) 7.060 5.095 ( -2.045 0.000 9.118) 9.345 5.095 ( 2.045 -0.000 9.118) 9.345 5.332 ( -0.728 0.000 2.376) 2.485 5.332 ( 0.728 0.000 2.376) 2.485 5.373 ( -1.172 0.000 4.746) 4.889 5.373 ( 1.172 -0.000 4.746) 4.889 5.511 ( -2.209 0.000 3.520) 4.156 5.511 ( 2.209 0.000 3.520) 4.156 5.538 ( -1.138 0.000 -2.653) 2.886 5.538 ( 1.138 -0.000 -2.653) 2.886 5.643 ( -0.209 0.000 -2.642) 2.650 5.643 ( 0.209 0.000 -2.642) 2.650 5.763 ( -1.095 0.000 8.885) 8.953 5.763 ( 1.095 0.000 8.885) 8.953 5.827 ( -5.909 0.000 -1.479) 6.092 5.827 ( 5.909 0.000 -1.479) 6.092 5.928 ( -0.849 0.000 -0.334) 0.912 5.928 ( 0.849 0.000 -0.334) 0.912 6.387 ( -4.007 0.000 1.491) 4.276 6.387 ( 4.007 0.000 1.491) 4.276 6.523 ( -0.419 0.000 7.024) 7.037 6.523 ( 0.419 0.000 7.024) 7.037 6.703 ( -2.085 0.000 -8.339) 8.595 6.703 ( 2.085 0.000 -8.339) 8.595 7.000 ( -2.467 0.000 -7.213) 7.623 7.000 ( 2.467 0.000 -7.213) 7.623 8.691 ( -3.060 0.000 7.246) 7.866 8.691 ( 3.060 0.000 7.246) 7.866 8.802 ( -1.685 0.000 -3.779) 4.138 8.802 ( 1.685 0.000 -3.779) 4.138 8.853 ( -3.536 0.000 -4.983) 6.110 8.853 ( 3.536 0.000 -4.983) 6.110 9.083 ( -3.039 0.000 -6.651) 7.312 9.083 ( 3.039 0.000 -6.651) 7.312 9.208 ( -5.381 0.000 0.278) 5.388 9.208 ( 5.381 0.000 0.278) 5.388 9.420 ( -4.189 0.000 -6.932) 8.099 9.420 ( 4.189 0.000 -6.932) 8.099 9.480 ( -1.790 0.000 4.530) 4.871 9.480 ( 1.790 -0.000 4.530) 4.871 9.587 ( -1.386 0.000 2.813) 3.136 9.587 ( 1.386 0.000 2.813) 3.136 9.638 ( -2.432 0.000 -2.549) 3.523 9.638 ( 2.432 0.000 -2.549) 3.523 9.865 ( -4.570 0.000 -7.251) 8.571 9.865 ( 4.570 0.000 -7.251) 8.571 9.941 ( -0.623 0.000 4.767) 4.808 9.941 ( 0.623 0.000 4.767) 4.808 10.212 ( -0.638 0.000 -3.922) 3.973 10.212 ( 0.638 0.000 -3.922) 3.973 10.707 ( -5.289 0.000 -5.836) 7.876 10.707 ( 5.289 0.000 -5.836) 7.876 10.762 ( -2.204 0.000 -5.642) 6.058 10.762 ( 2.204 0.000 -5.642) 6.058 10.992 ( -0.870 0.000 6.345) 6.405 10.992 ( 0.870 -0.000 6.345) 6.405 11.155 ( -0.832 0.000 0.851) 1.190 11.155 ( 0.832 -0.000 0.851) 1.190 11.326 ( -5.649 0.000 9.756) 11.273 11.326 ( 5.649 0.000 9.756) 11.273 11.461 ( -2.232 0.000 3.946) 4.533 11.461 ( 2.232 0.000 3.946) 4.533 11.572 ( -1.744 0.000 0.138) 1.749 11.572 ( 1.744 0.000 0.138) 1.749 11.952 ( -1.269 0.000 -11.003) 11.076 11.952 ( 1.269 0.000 -11.003) 11.076 12.894 ( -1.303 0.000 1.799) 2.222 12.894 ( 1.303 0.000 1.799) 2.222 12.937 ( -0.047 -0.000 -0.551) 0.553 12.937 ( 0.047 0.000 -0.551) 0.553 13.092 ( -0.389 0.000 -1.477) 1.528 13.092 ( 0.389 0.000 -1.477) 1.528 13.199 ( -0.329 0.000 4.340) 4.353 13.199 ( 0.329 0.000 4.340) 4.353 13.222 ( -1.409 0.000 -5.404) 5.585 13.222 ( 1.409 0.000 -5.404) 5.585 13.436 ( -1.116 0.000 -7.763) 7.843 13.436 ( 1.116 0.000 -7.763) 7.843 13.552 ( -1.357 0.000 2.959) 3.255 13.552 ( 1.357 0.000 2.959) 3.255 13.677 ( -2.265 0.000 0.102) 2.268 13.677 ( 2.265 0.000 0.102) 2.268 13.785 ( -5.094 0.000 -3.001) 5.912 13.785 ( 5.094 0.000 -3.001) 5.912 13.896 ( -2.328 0.000 -5.334) 5.820 13.896 ( 2.328 0.000 -5.334) 5.820 14.079 ( -0.163 0.000 1.064) 1.077 14.079 ( 0.163 0.000 1.064) 1.077 14.173 ( -0.518 0.000 -2.017) 2.082 14.173 ( 0.518 0.000 -2.017) 2.082 15.339 ( -0.395 0.000 10.663) 10.670 15.339 ( 0.395 0.000 10.663) 10.670 15.589 ( -0.644 0.000 -2.237) 2.327 15.589 ( 0.644 0.000 -2.237) 2.327 15.983 ( -1.317 0.000 2.122) 2.497 15.983 ( 1.317 0.000 2.122) 2.497 16.218 ( -0.040 0.000 -7.590) 7.590 16.218 ( 0.040 0.000 -7.590) 7.590 17.486 ( -0.175 0.000 2.436) 2.442 17.486 ( 0.175 0.000 2.436) 2.442 17.543 ( -1.326 0.000 -0.666) 1.484 17.543 ( 1.326 0.000 -0.666) 1.484 17.666 ( -1.152 0.000 2.090) 2.386 17.666 ( 1.152 0.000 2.090) 2.386 17.791 ( -0.334 0.000 -3.491) 3.507 17.791 ( 0.334 0.000 -3.491) 3.507 17.950 ( -2.946 0.000 1.733) 3.418 17.950 ( 2.946 0.000 1.733) 3.418 17.989 ( -1.401 0.000 -0.413) 1.461 17.989 ( 1.401 0.000 -0.413) 1.461 18.088 ( -0.332 0.000 1.032) 1.084 18.088 ( 0.332 0.000 1.032) 1.084 18.166 ( -1.388 0.000 -2.251) 2.644 18.166 ( 1.388 0.000 -2.251) 2.644 18.515 ( -2.796 0.000 8.348) 8.804 18.515 ( 2.796 0.000 8.348) 8.804 18.699 ( -5.483 0.000 0.289) 5.491 18.699 ( 5.483 0.000 0.289) 5.491 18.855 ( -1.481 0.000 8.361) 8.491 18.855 ( 1.481 0.000 8.361) 8.491 19.006 ( -1.680 0.000 2.535) 3.041 19.006 ( 1.680 0.000 2.535) 3.041 19.380 ( -0.323 0.000 -1.663) 1.694 19.380 ( 0.323 0.000 -1.663) 1.694 19.450 ( -2.435 0.000 -3.490) 4.255 19.450 ( 2.435 0.000 -3.490) 4.255 19.532 ( -2.261 0.000 -2.934) 3.704 19.532 ( 2.261 0.000 -2.934) 3.704 19.587 ( -1.785 0.000 -3.993) 4.374 19.587 ( 1.785 0.000 -3.993) 4.374 20.107 ( -0.966 0.000 2.062) 2.277 20.107 ( 0.966 0.000 2.062) 2.277 20.116 ( -1.439 0.000 1.696) 2.224 20.116 ( 1.439 0.000 1.696) 2.224 29.713 ( -0.493 0.000 2.940) 2.981 29.713 ( 0.493 0.000 2.940) 2.981 29.828 ( -0.062 0.000 -2.376) 2.377 29.828 ( 0.062 0.000 -2.376) 2.377 29.842 ( -0.402 0.000 1.132) 1.201 29.842 ( 0.402 0.000 1.132) 1.201 29.947 ( -0.101 0.000 -3.197) 3.199 29.947 ( 0.101 0.000 -3.197) 3.199 30.684 ( -0.106 0.000 1.288) 1.292 30.684 ( 0.106 0.000 1.288) 1.292 30.748 ( -0.000 0.000 -1.912) 1.912 30.748 ( 0.000 0.000 -1.912) 1.912 31.843 ( -3.765 0.000 5.689) 6.822 31.843 ( 3.765 0.000 5.689) 6.822 31.913 ( -0.017 -0.000 7.192) 7.192 31.913 ( 0.017 0.000 7.192) 7.192 31.943 ( -1.562 0.000 6.167) 6.362 31.943 ( 1.562 0.000 6.167) 6.362 32.129 ( -0.661 0.000 10.668) 10.689 32.129 ( 0.661 0.000 10.668) 10.689 32.345 ( -2.529 0.000 -6.059) 6.565 32.345 ( 2.529 0.000 -6.059) 6.565 32.526 ( -1.734 0.000 -5.729) 5.986 32.526 ( 1.734 0.000 -5.729) 5.986 32.976 ( -1.195 0.000 2.598) 2.860 32.976 ( 1.195 0.000 2.598) 2.860 33.163 ( -1.182 0.000 5.222) 5.354 33.163 ( 1.182 -0.000 5.222) 5.354 33.245 ( -1.341 0.000 -6.718) 6.851 33.245 ( 1.341 0.000 -6.718) 6.851 33.472 ( -2.470 0.000 -7.027) 7.449 33.472 ( 2.470 0.000 -7.027) 7.449 34.543 ( -0.063 0.000 11.401) 11.401 34.543 ( 0.063 0.000 11.401) 11.401 34.947 ( -0.661 0.000 -8.083) 8.110 34.947 ( 0.661 0.000 -8.083) 8.110 35.244 ( -0.753 0.000 5.390) 5.442 35.244 ( 0.753 0.000 5.390) 5.442 35.461 ( -1.559 0.000 -2.938) 3.327 35.461 ( 1.559 0.000 -2.938) 3.327 36.101 ( -2.933 0.000 -3.325) 4.434 36.101 ( 2.933 0.000 -3.325) 4.434 36.194 ( -0.746 0.000 -6.621) 6.663 36.194 ( 0.746 0.000 -6.621) 6.663 36.967 ( -1.918 0.000 1.150) 2.236 36.967 ( 1.918 0.000 1.150) 2.236 37.140 ( -1.712 0.000 -6.729) 6.944 37.140 ( 1.712 0.000 -6.729) 6.944 ======================= Grid point 105 (37/48) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.749 ( 0.000 0.000 -15.262) 15.262 1.749 ( 0.000 0.000 15.262) 15.262 1.916 ( 0.000 0.000 -4.122) 4.122 1.916 ( 0.000 0.000 4.122) 4.122 1.956 ( 0.000 0.000 -1.666) 1.666 1.956 ( 0.000 0.000 1.666) 1.666 2.113 ( 0.000 0.000 -24.206) 24.206 2.113 ( 0.000 0.000 24.206) 24.206 2.504 ( 0.000 0.000 -7.432) 7.432 2.504 ( 0.000 0.000 7.432) 7.432 2.583 ( 0.000 0.000 -2.096) 2.096 2.583 ( 0.000 0.000 2.096) 2.096 2.875 ( 0.000 0.000 -10.851) 10.851 2.875 ( 0.000 0.000 10.851) 10.851 2.878 ( 0.000 0.000 -11.387) 11.387 2.878 ( 0.000 0.000 11.387) 11.387 2.976 ( 0.000 0.000 -9.881) 9.881 2.976 ( 0.000 0.000 9.881) 9.881 3.403 ( 0.000 0.000 -2.059) 2.059 3.403 ( 0.000 0.000 2.059) 2.059 3.448 ( 0.000 0.000 -1.381) 1.381 3.448 ( 0.000 0.000 1.381) 1.381 3.845 ( 0.000 0.000 -16.711) 16.711 3.845 ( 0.000 0.000 16.711) 16.711 3.869 ( 0.000 0.000 -14.388) 14.388 3.869 ( 0.000 0.000 14.388) 14.388 3.999 ( 0.000 0.000 -6.140) 6.140 3.999 ( 0.000 0.000 6.140) 6.140 4.048 ( 0.000 0.000 -5.416) 5.416 4.048 ( 0.000 0.000 5.416) 5.416 4.209 ( 0.000 0.000 -1.777) 1.777 4.209 ( 0.000 0.000 1.777) 1.777 4.422 ( 0.000 0.000 -11.625) 11.625 4.422 ( 0.000 0.000 11.625) 11.625 4.519 ( 0.000 0.000 -10.131) 10.131 4.519 ( 0.000 0.000 10.131) 10.131 4.621 ( 0.000 0.000 -0.105) 0.105 4.621 ( 0.000 0.000 0.105) 0.105 4.752 ( 0.000 0.000 -6.587) 6.587 4.752 ( 0.000 0.000 6.587) 6.587 4.938 ( 0.000 0.000 -0.278) 0.278 4.938 ( 0.000 0.000 0.278) 0.278 5.032 ( 0.000 0.000 -6.033) 6.033 5.032 ( 0.000 0.000 6.033) 6.033 5.115 ( 0.000 0.000 -5.103) 5.103 5.115 ( 0.000 0.000 5.103) 5.103 5.146 ( 0.000 0.000 -0.957) 0.957 5.146 ( 0.000 0.000 0.957) 0.957 5.194 ( 0.000 0.000 -0.896) 0.896 5.194 ( 0.000 0.000 0.896) 0.896 5.317 ( 0.000 0.000 -0.357) 0.357 5.317 ( 0.000 0.000 0.357) 0.357 5.425 ( 0.000 0.000 -8.821) 8.821 5.425 ( 0.000 0.000 8.821) 8.821 5.618 ( 0.000 0.000 -10.989) 10.989 5.618 ( 0.000 0.000 10.989) 10.989 5.671 ( 0.000 0.000 -1.683) 1.683 5.671 ( 0.000 0.000 1.683) 1.683 6.073 ( 0.000 0.000 -2.044) 2.044 6.073 ( 0.000 0.000 2.044) 2.044 6.080 ( 0.000 0.000 -13.059) 13.059 6.080 ( 0.000 0.000 13.059) 13.059 6.193 ( 0.000 0.000 -3.556) 3.556 6.193 ( 0.000 0.000 3.556) 3.556 6.378 ( 0.000 0.000 -10.976) 10.976 6.378 ( 0.000 0.000 10.976) 10.976 6.524 ( 0.000 0.000 -9.393) 9.393 6.524 ( 0.000 0.000 9.393) 9.393 6.579 ( 0.000 0.000 -11.221) 11.221 6.579 ( 0.000 0.000 11.221) 11.221 7.018 ( 0.000 0.000 -29.620) 29.620 7.018 ( 0.000 0.000 29.620) 29.620 8.660 ( 0.000 0.000 -5.220) 5.220 8.660 ( 0.000 0.000 5.220) 5.220 8.782 ( 0.000 0.000 -10.577) 10.577 8.782 ( 0.000 0.000 10.577) 10.577 8.818 ( 0.000 0.000 -7.813) 7.813 8.818 ( 0.000 0.000 7.813) 7.813 8.904 ( 0.000 0.000 -10.862) 10.862 8.904 ( 0.000 0.000 10.862) 10.862 9.131 ( 0.000 0.000 -6.767) 6.767 9.131 ( 0.000 0.000 6.767) 6.767 9.218 ( 0.000 0.000 -0.616) 0.616 9.218 ( 0.000 0.000 0.616) 0.616 9.473 ( 0.000 0.000 -4.416) 4.416 9.473 ( 0.000 0.000 4.416) 4.416 9.517 ( 0.000 0.000 -5.679) 5.679 9.517 ( 0.000 0.000 5.679) 5.679 9.798 ( 0.000 0.000 -6.174) 6.174 9.798 ( 0.000 0.000 6.174) 6.174 9.852 ( 0.000 0.000 -1.752) 1.752 9.852 ( 0.000 0.000 1.752) 1.752 9.943 ( 0.000 0.000 -1.573) 1.573 9.943 ( 0.000 0.000 1.573) 1.573 10.236 ( 0.000 0.000 -3.727) 3.727 10.236 ( 0.000 0.000 3.727) 3.727 10.412 ( 0.000 0.000 -2.443) 2.443 10.412 ( 0.000 0.000 2.443) 2.443 10.585 ( 0.000 0.000 -6.673) 6.673 10.585 ( 0.000 0.000 6.673) 6.673 10.910 ( 0.000 0.000 -0.510) 0.510 10.910 ( 0.000 0.000 0.510) 0.510 10.987 ( 0.000 0.000 -3.108) 3.108 10.987 ( 0.000 0.000 3.108) 3.108 11.521 ( 0.000 0.000 -17.255) 17.255 11.521 ( 0.000 0.000 17.255) 17.255 11.580 ( 0.000 0.000 -0.936) 0.936 11.580 ( 0.000 0.000 0.936) 0.936 11.706 ( 0.000 0.000 -3.905) 3.905 11.706 ( 0.000 0.000 3.905) 3.905 11.901 ( 0.000 0.000 -17.047) 17.047 11.901 ( 0.000 0.000 17.047) 17.047 12.940 ( 0.000 0.000 -1.874) 1.874 12.940 ( 0.000 0.000 1.874) 1.874 12.994 ( 0.000 0.000 -4.928) 4.928 12.994 ( 0.000 0.000 4.928) 4.928 13.134 ( 0.000 0.000 -3.475) 3.475 13.134 ( 0.000 0.000 3.475) 3.475 13.250 ( 0.000 0.000 -1.490) 1.490 13.250 ( 0.000 0.000 1.490) 1.490 13.296 ( 0.000 0.000 -1.728) 1.728 13.296 ( 0.000 0.000 1.728) 1.728 13.420 ( 0.000 0.000 -7.060) 7.060 13.420 ( 0.000 0.000 7.060) 7.060 13.509 ( 0.000 0.000 -4.885) 4.885 13.509 ( 0.000 0.000 4.885) 4.885 13.750 ( 0.000 0.000 -1.308) 1.308 13.750 ( 0.000 0.000 1.308) 1.308 13.785 ( 0.000 0.000 -5.663) 5.663 13.785 ( 0.000 0.000 5.663) 5.663 13.932 ( 0.000 0.000 -5.155) 5.155 13.932 ( 0.000 0.000 5.155) 5.155 13.990 ( 0.000 0.000 -2.960) 2.960 13.990 ( 0.000 0.000 2.960) 2.960 14.164 ( 0.000 0.000 -1.194) 1.194 14.164 ( 0.000 0.000 1.194) 1.194 15.439 ( 0.000 0.000 -9.217) 9.217 15.439 ( 0.000 0.000 9.217) 9.217 15.652 ( 0.000 0.000 -1.140) 1.140 15.652 ( 0.000 0.000 1.140) 1.140 16.153 ( 0.000 0.000 -0.736) 0.736 16.153 ( 0.000 0.000 0.736) 0.736 16.247 ( 0.000 0.000 -5.890) 5.890 16.247 ( 0.000 0.000 5.890) 5.890 17.562 ( 0.000 0.000 -0.688) 0.688 17.562 ( 0.000 0.000 0.688) 0.688 17.582 ( 0.000 0.000 -0.460) 0.460 17.582 ( 0.000 0.000 0.460) 0.460 17.681 ( 0.000 0.000 -1.480) 1.480 17.681 ( 0.000 0.000 1.480) 1.480 17.747 ( 0.000 0.000 -0.874) 0.874 17.747 ( 0.000 0.000 0.874) 0.874 17.924 ( 0.000 0.000 -2.032) 2.032 17.924 ( 0.000 0.000 2.032) 2.032 17.977 ( 0.000 0.000 -2.486) 2.486 17.977 ( 0.000 0.000 2.486) 2.486 18.088 ( 0.000 0.000 -0.329) 0.329 18.088 ( 0.000 0.000 0.329) 0.329 18.212 ( 0.000 0.000 -5.510) 5.510 18.212 ( 0.000 0.000 5.510) 5.510 18.541 ( 0.000 0.000 -3.408) 3.408 18.541 ( 0.000 0.000 3.408) 3.408 18.654 ( 0.000 0.000 -11.945) 11.945 18.654 ( 0.000 0.000 11.945) 11.945 18.872 ( 0.000 0.000 -5.449) 5.449 18.872 ( 0.000 0.000 5.449) 5.449 18.911 ( 0.000 0.000 -2.757) 2.757 18.911 ( 0.000 0.000 2.757) 2.757 19.405 ( 0.000 0.000 -4.385) 4.385 19.405 ( 0.000 0.000 4.385) 4.385 19.408 ( 0.000 0.000 -1.452) 1.452 19.408 ( 0.000 0.000 1.452) 1.452 19.633 ( 0.000 0.000 -5.656) 5.656 19.633 ( 0.000 0.000 5.656) 5.656 19.675 ( 0.000 0.000 -2.409) 2.409 19.675 ( 0.000 0.000 2.409) 2.409 19.946 ( 0.000 0.000 -0.910) 0.910 19.946 ( 0.000 0.000 0.910) 0.910 20.154 ( 0.000 0.000 -2.735) 2.735 20.154 ( 0.000 0.000 2.735) 2.735 29.763 ( 0.000 0.000 -2.406) 2.406 29.763 ( 0.000 0.000 2.406) 2.406 29.837 ( 0.000 0.000 -1.933) 1.933 29.837 ( 0.000 0.000 1.933) 1.933 29.875 ( 0.000 0.000 -2.232) 2.232 29.875 ( 0.000 0.000 2.232) 2.232 29.927 ( 0.000 0.000 -2.971) 2.971 29.927 ( 0.000 0.000 2.971) 2.971 30.665 ( 0.000 0.000 -0.293) 0.293 30.665 ( 0.000 0.000 0.293) 0.293 30.686 ( 0.000 0.000 -0.545) 0.545 30.686 ( 0.000 0.000 0.545) 0.545 31.665 ( 0.000 0.000 -2.579) 2.579 31.665 ( 0.000 0.000 2.579) 2.579 31.670 ( 0.000 0.000 -2.788) 2.788 31.670 ( 0.000 0.000 2.788) 2.788 31.939 ( 0.000 0.000 -4.264) 4.264 31.939 ( 0.000 0.000 4.264) 4.264 32.203 ( 0.000 0.000 -9.945) 9.945 32.203 ( 0.000 0.000 9.945) 9.945 32.314 ( 0.000 0.000 -7.114) 7.114 32.314 ( 0.000 0.000 7.114) 7.114 32.446 ( 0.000 0.000 -13.923) 13.923 32.446 ( 0.000 0.000 13.923) 13.923 32.708 ( 0.000 0.000 -18.109) 18.109 32.708 ( 0.000 0.000 18.109) 18.109 33.014 ( 0.000 0.000 -4.373) 4.373 33.014 ( 0.000 0.000 4.373) 4.373 33.758 ( 0.000 0.000 -8.214) 8.214 33.758 ( 0.000 0.000 8.214) 8.214 33.808 ( 0.000 0.000 -8.094) 8.094 33.808 ( 0.000 0.000 8.094) 8.094 34.308 ( 0.000 0.000 -0.154) 0.154 34.308 ( 0.000 0.000 0.154) 0.154 34.763 ( 0.000 0.000 -5.527) 5.527 34.763 ( 0.000 0.000 5.527) 5.527 35.318 ( 0.000 0.000 -1.130) 1.130 35.318 ( 0.000 0.000 1.130) 1.130 35.435 ( 0.000 0.000 -6.223) 6.223 35.435 ( 0.000 0.000 6.223) 6.223 36.076 ( 0.000 0.000 -8.742) 8.742 36.076 ( 0.000 0.000 8.742) 8.742 36.174 ( 0.000 0.000 -9.780) 9.780 36.174 ( 0.000 0.000 9.780) 9.780 36.756 ( 0.000 0.000 -9.007) 9.007 36.756 ( 0.000 0.000 9.007) 9.007 37.643 ( 0.000 0.000 -15.918) 15.918 37.643 ( 0.000 0.000 15.918) 15.918 ======================= Grid point 107 (38/48) ======================= q-point: ( 0.25 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.828 ( 2.899 0.000 -5.048) 5.821 1.828 ( 2.899 0.000 5.048) 5.821 1.930 ( 7.851 0.000 -4.672) 9.136 1.930 ( 7.851 0.000 4.672) 9.136 2.070 ( 11.366 0.000 -2.632) 11.667 2.070 ( 11.366 0.000 2.632) 11.667 2.452 ( 18.676 0.000 -0.169) 18.677 2.452 ( 18.676 0.000 0.169) 18.677 2.474 ( -2.421 0.000 -5.086) 5.633 2.474 ( -2.421 0.000 5.086) 5.633 2.562 ( -5.340 0.000 -0.037) 5.340 2.562 ( -5.340 0.000 0.037) 5.340 2.752 ( 3.681 0.000 -1.869) 4.128 2.752 ( 3.681 0.000 1.869) 4.128 2.918 ( -3.223 0.000 -7.555) 8.214 2.918 ( -3.223 0.000 7.555) 8.214 3.002 ( 5.477 0.000 -1.435) 5.662 3.002 ( 5.477 0.000 1.435) 5.662 3.308 ( -9.569 0.000 -3.360) 10.141 3.308 ( -9.569 0.000 3.360) 10.141 3.525 ( -4.244 0.000 -0.590) 4.285 3.525 ( -4.244 0.000 0.590) 4.285 3.708 ( 0.776 0.000 -5.013) 5.073 3.708 ( 0.776 0.000 5.013) 5.073 3.881 ( -6.492 0.000 -1.411) 6.644 3.881 ( -6.492 0.000 1.411) 6.644 3.959 ( 4.451 0.000 -21.112) 21.576 3.959 ( 4.451 0.000 21.112) 21.576 4.098 ( 3.249 0.000 -7.888) 8.531 4.098 ( 3.249 0.000 7.888) 8.531 4.262 ( -0.503 0.000 -1.397) 1.485 4.262 ( -0.503 0.000 1.397) 1.485 4.446 ( 1.057 0.000 -2.931) 3.116 4.446 ( 1.057 0.000 2.931) 3.116 4.518 ( -2.411 0.000 -4.348) 4.972 4.518 ( -2.411 0.000 4.348) 4.972 4.654 ( 1.572 0.000 -3.317) 3.671 4.654 ( 1.572 0.000 3.317) 3.671 4.704 ( -1.556 0.000 -7.893) 8.045 4.704 ( -1.556 0.000 7.893) 8.045 4.797 ( -0.804 0.000 -1.737) 1.914 4.797 ( -0.804 0.000 1.737) 1.914 4.953 ( -10.783 0.000 -2.184) 11.002 4.953 ( -10.783 0.000 2.184) 11.002 5.054 ( -1.839 0.000 -5.435) 5.738 5.054 ( -1.839 0.000 5.435) 5.738 5.114 ( -6.773 0.000 -1.032) 6.851 5.114 ( -6.773 0.000 1.032) 6.851 5.281 ( 7.911 0.000 -1.741) 8.100 5.281 ( 7.911 0.000 1.741) 8.100 5.422 ( -2.708 0.000 -8.211) 8.646 5.422 ( -2.708 0.000 8.211) 8.646 5.462 ( 8.335 0.000 -1.680) 8.502 5.462 ( 8.335 0.000 1.680) 8.502 5.617 ( 2.812 0.000 -7.055) 7.595 5.617 ( 2.812 0.000 7.055) 7.595 5.667 ( -0.991 0.000 -2.528) 2.715 5.667 ( -0.991 0.000 2.528) 2.715 5.776 ( -12.048 0.000 -5.347) 13.181 5.776 ( -12.048 0.000 5.347) 13.181 6.185 ( 0.567 0.000 -0.850) 1.021 6.185 ( 0.567 0.000 0.850) 1.021 6.317 ( 6.651 0.000 -6.061) 8.999 6.317 ( 6.651 0.000 6.061) 8.999 6.345 ( -4.257 0.000 -9.247) 10.180 6.345 ( -4.257 0.000 9.247) 10.180 6.493 ( -2.238 0.000 -1.788) 2.865 6.493 ( -2.238 0.000 1.788) 2.865 6.629 ( 6.092 0.000 -11.575) 13.080 6.629 ( 6.092 0.000 11.575) 13.080 6.961 ( -5.395 0.000 -26.714) 27.253 6.961 ( -5.395 0.000 26.714) 27.253 8.685 ( 2.239 0.000 -5.366) 5.814 8.685 ( 2.239 0.000 5.366) 5.814 8.782 ( -0.403 0.000 -8.223) 8.233 8.782 ( -0.403 0.000 8.223) 8.233 8.817 ( 0.158 0.000 -6.250) 6.252 8.817 ( 0.158 0.000 6.250) 6.252 8.886 ( -1.611 0.000 -10.161) 10.288 8.886 ( -1.611 0.000 10.161) 10.288 9.160 ( 3.557 0.000 -4.681) 5.879 9.160 ( 3.557 0.000 4.681) 5.879 9.275 ( 2.489 0.000 -0.493) 2.537 9.275 ( 2.489 0.000 0.493) 2.537 9.468 ( 1.445 0.000 -0.707) 1.608 9.468 ( 1.445 0.000 0.707) 1.608 9.562 ( 1.972 0.000 -3.782) 4.265 9.562 ( 1.972 0.000 3.782) 4.265 9.791 ( -2.619 0.000 -0.739) 2.721 9.791 ( -2.619 0.000 0.739) 2.721 9.815 ( -0.708 0.000 -0.783) 1.056 9.815 ( -0.708 0.000 0.783) 1.056 9.989 ( 5.274 0.000 -4.948) 7.231 9.989 ( 5.274 0.000 4.948) 7.231 10.284 ( 3.005 0.000 -1.680) 3.443 10.284 ( 3.005 0.000 1.680) 3.443 10.370 ( -4.206 0.000 -4.415) 6.098 10.370 ( -4.206 0.000 4.415) 6.098 10.509 ( -5.999 0.000 -4.011) 7.217 10.509 ( -5.999 0.000 4.011) 7.217 10.900 ( -0.770 0.000 -0.794) 1.106 10.900 ( -0.770 0.000 0.794) 1.106 10.927 ( -3.352 0.000 -0.277) 3.364 10.927 ( -3.352 0.000 0.277) 3.364 11.597 ( 2.781 0.000 -2.328) 3.626 11.597 ( 2.781 0.000 2.328) 3.626 11.626 ( 5.373 0.000 -13.910) 14.912 11.626 ( 5.373 0.000 13.910) 14.912 11.722 ( 1.861 0.000 -6.645) 6.901 11.722 ( 1.861 0.000 6.645) 6.901 11.879 ( -2.142 0.000 -17.888) 18.016 11.879 ( -2.142 0.000 17.888) 18.016 12.944 ( 0.682 0.000 -1.975) 2.089 12.944 ( 0.682 0.000 1.975) 2.089 12.996 ( -0.340 0.000 -3.843) 3.858 12.996 ( -0.340 0.000 3.843) 3.858 13.162 ( 2.416 0.000 -4.411) 5.030 13.162 ( 2.416 0.000 4.411) 5.030 13.228 ( -1.293 0.000 -2.943) 3.214 13.228 ( -1.293 0.000 2.943) 3.214 13.319 ( 1.352 0.000 -1.414) 1.956 13.319 ( 1.352 0.000 1.414) 1.956 13.399 ( -1.921 0.000 -5.858) 6.164 13.399 ( -1.921 0.000 5.858) 6.164 13.493 ( -0.248 0.000 -3.975) 3.982 13.493 ( -0.248 0.000 3.975) 3.982 13.672 ( -5.843 0.000 -1.990) 6.173 13.672 ( -5.843 0.000 1.990) 6.173 13.807 ( 1.561 0.000 -3.056) 3.432 13.807 ( 1.561 0.000 3.056) 3.432 13.903 ( -2.409 0.000 -4.187) 4.831 13.903 ( -2.409 0.000 4.187) 4.831 14.037 ( 3.652 0.000 -2.144) 4.235 14.037 ( 3.652 0.000 2.144) 4.235 14.157 ( -1.090 0.000 -0.004) 1.090 14.157 ( -1.090 0.000 0.004) 1.090 15.480 ( 3.586 0.000 -7.860) 8.640 15.480 ( 3.586 0.000 7.860) 8.640 15.630 ( -2.139 0.000 -0.518) 2.201 15.630 ( -2.139 0.000 0.518) 2.201 16.153 ( 0.284 0.000 -1.587) 1.612 16.153 ( 0.284 0.000 1.587) 1.612 16.224 ( -2.124 0.000 -5.219) 5.634 16.224 ( -2.124 0.000 5.219) 5.634 17.557 ( -0.378 0.000 -0.498) 0.625 17.557 ( -0.378 0.000 0.498) 0.625 17.566 ( -1.016 0.000 -0.219) 1.039 17.566 ( -1.016 0.000 0.219) 1.039 17.705 ( 1.780 0.000 -1.737) 2.487 17.705 ( 1.780 0.000 1.737) 2.487 17.748 ( -0.074 0.000 -1.380) 1.382 17.748 ( -0.074 0.000 1.380) 1.382 17.941 ( 1.218 0.000 -1.639) 2.042 17.941 ( 1.218 0.000 1.639) 2.042 17.973 ( -0.382 0.000 -1.932) 1.969 17.973 ( -0.382 0.000 1.932) 1.969 18.104 ( 1.569 0.000 -0.514) 1.651 18.104 ( 1.569 0.000 0.514) 1.651 18.195 ( -1.773 0.000 -3.849) 4.238 18.195 ( -1.773 0.000 3.849) 4.238 18.595 ( 5.167 0.000 -0.265) 5.174 18.595 ( 5.167 0.000 0.265) 5.174 18.694 ( 2.777 0.000 -8.530) 8.970 18.694 ( 2.777 0.000 8.530) 8.970 18.862 ( -0.790 0.000 -5.884) 5.937 18.862 ( -0.790 0.000 5.884) 5.937 18.897 ( -1.400 0.000 -2.251) 2.651 18.897 ( -1.400 0.000 2.251) 2.651 19.365 ( -0.802 0.000 -0.669) 1.045 19.365 ( -0.802 0.000 0.669) 1.045 19.473 ( 2.489 0.000 -0.839) 2.627 19.473 ( 2.489 0.000 0.839) 2.627 19.542 ( -5.566 0.000 -1.184) 5.690 19.542 ( -5.566 0.000 1.184) 5.690 19.652 ( -2.575 0.000 -3.070) 4.007 19.652 ( -2.575 0.000 3.070) 4.007 19.999 ( 3.891 0.000 -0.684) 3.950 19.999 ( 3.891 0.000 0.684) 3.950 20.132 ( -2.028 0.000 -1.878) 2.764 20.132 ( -2.028 0.000 1.878) 2.764 29.768 ( 0.476 0.000 -2.331) 2.379 29.768 ( 0.476 0.000 2.331) 2.379 29.812 ( -1.609 0.000 -0.546) 1.699 29.812 ( -1.609 0.000 0.546) 1.699 29.898 ( 1.387 0.000 -0.448) 1.457 29.898 ( 1.387 0.000 0.448) 1.457 29.927 ( -0.080 0.000 -2.725) 2.726 29.927 ( -0.080 0.000 2.725) 2.726 30.667 ( 0.246 0.000 -0.339) 0.419 30.667 ( 0.246 0.000 0.339) 0.419 30.682 ( -0.346 0.000 -0.507) 0.614 30.682 ( -0.346 0.000 0.507) 0.614 31.663 ( 0.246 0.000 -2.912) 2.922 31.663 ( 0.246 0.000 2.912) 2.922 31.677 ( 0.150 0.000 -2.755) 2.759 31.677 ( 0.150 0.000 2.755) 2.759 32.016 ( 6.896 0.000 -3.650) 7.802 32.016 ( 6.896 0.000 3.650) 7.802 32.212 ( 0.247 0.000 -7.545) 7.549 32.212 ( 0.247 0.000 7.545) 7.549 32.285 ( -1.122 0.000 -6.157) 6.258 32.285 ( -1.122 0.000 6.157) 6.258 32.465 ( -0.934 0.000 -6.199) 6.269 32.465 ( -0.934 0.000 6.199) 6.269 32.675 ( -0.486 0.000 -17.062) 17.069 32.675 ( -0.486 0.000 17.062) 17.069 32.962 ( -6.508 0.000 -10.776) 12.589 32.962 ( -6.508 0.000 10.776) 12.589 33.626 ( -4.790 0.000 -0.369) 4.804 33.626 ( -4.790 0.000 0.369) 4.804 33.782 ( -6.006 0.000 -4.614) 7.574 33.782 ( -6.006 0.000 4.614) 7.574 34.377 ( 8.039 0.000 -2.481) 8.413 34.377 ( 8.039 0.000 2.481) 8.413 34.766 ( -3.068 0.000 -4.698) 5.611 34.766 ( -3.068 0.000 4.698) 5.611 35.293 ( -3.619 0.000 -2.250) 4.262 35.293 ( -3.619 0.000 2.250) 4.262 35.303 ( -5.137 0.000 -0.800) 5.198 35.303 ( -5.137 0.000 0.800) 5.198 36.153 ( 4.818 0.000 -9.971) 11.074 36.153 ( 4.818 0.000 9.971) 11.074 36.250 ( 3.340 0.000 -5.587) 6.509 36.250 ( 3.340 0.000 5.587) 6.509 36.924 ( 15.559 0.000 -0.587) 15.570 36.924 ( 15.559 0.000 0.587) 15.570 37.549 ( -9.050 0.000 -14.724) 17.282 37.549 ( -9.050 0.000 14.724) 17.282 ======================= Grid point 109 (39/48) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.958 ( -7.305 0.000 -4.482) 8.570 1.958 ( 7.305 0.000 -4.482) 8.570 1.958 ( -7.305 0.000 4.482) 8.570 1.958 ( 7.305 0.000 4.482) 8.570 2.266 ( -12.093 0.000 -7.730) 14.353 2.266 ( 12.093 0.000 -7.730) 14.353 2.266 ( -12.093 0.000 7.730) 14.353 2.266 ( 12.093 0.000 7.730) 14.353 2.682 ( -7.859 0.000 -9.633) 12.432 2.682 ( 7.859 0.000 -9.633) 12.432 2.682 ( -7.859 0.000 9.633) 12.432 2.682 ( 7.859 0.000 9.633) 12.432 2.834 ( -3.267 0.000 -1.626) 3.650 2.834 ( 3.267 0.000 -1.626) 3.650 2.834 ( -3.267 0.000 1.626) 3.650 2.834 ( 3.267 0.000 1.626) 3.650 3.126 ( -3.207 0.000 -1.531) 3.554 3.126 ( 3.207 0.000 -1.531) 3.554 3.126 ( -3.207 0.000 1.531) 3.554 3.126 ( 3.207 0.000 1.531) 3.554 3.513 ( -12.004 0.000 -2.680) 12.300 3.513 ( -12.004 0.000 2.680) 12.300 3.513 ( 12.004 0.000 -2.680) 12.300 3.513 ( 12.004 0.000 2.680) 12.300 4.017 ( -5.720 0.000 -0.614) 5.753 4.017 ( -5.720 0.000 0.614) 5.753 4.017 ( 5.720 0.000 -0.614) 5.753 4.017 ( 5.720 0.000 0.614) 5.753 4.127 ( -7.206 0.000 -4.039) 8.261 4.127 ( 7.206 0.000 -4.039) 8.261 4.127 ( -7.206 0.000 4.039) 8.261 4.127 ( 7.206 0.000 4.039) 8.261 4.472 ( -3.587 0.000 -5.512) 6.577 4.472 ( 3.587 0.000 -5.512) 6.577 4.472 ( -3.587 0.000 5.512) 6.577 4.472 ( 3.587 0.000 5.512) 6.577 4.696 ( -2.153 0.000 -1.161) 2.446 4.696 ( 2.153 0.000 -1.161) 2.446 4.696 ( -2.153 0.000 1.161) 2.446 4.696 ( 2.153 0.000 1.161) 2.446 4.822 ( -1.496 0.000 -6.412) 6.584 4.822 ( 1.496 0.000 -6.412) 6.584 4.822 ( -1.496 0.000 6.412) 6.584 4.822 ( 1.496 0.000 6.412) 6.584 5.019 ( -1.131 0.000 -1.361) 1.770 5.019 ( 1.131 0.000 -1.361) 1.770 5.019 ( -1.131 0.000 1.361) 1.770 5.019 ( 1.131 0.000 1.361) 1.770 5.365 ( -1.774 0.000 -8.948) 9.122 5.365 ( 1.774 0.000 -8.948) 9.122 5.365 ( -1.774 0.000 8.948) 9.122 5.365 ( 1.774 0.000 8.948) 9.122 5.590 ( -4.433 0.000 -2.122) 4.915 5.590 ( 4.433 0.000 -2.122) 4.915 5.590 ( -4.433 0.000 2.122) 4.915 5.590 ( 4.433 0.000 2.122) 4.915 5.676 ( -1.323 0.000 -2.176) 2.546 5.676 ( 1.323 0.000 -2.176) 2.546 5.676 ( -1.323 0.000 2.176) 2.546 5.676 ( 1.323 0.000 2.176) 2.546 6.233 ( -4.710 0.000 -4.712) 6.662 6.233 ( 4.710 0.000 -4.712) 6.662 6.233 ( -4.710 0.000 4.712) 6.662 6.233 ( 4.710 0.000 4.712) 6.662 6.420 ( -4.372 0.000 -1.029) 4.492 6.420 ( -4.372 0.000 1.029) 4.492 6.420 ( 4.372 0.000 -1.029) 4.492 6.420 ( 4.372 0.000 1.029) 4.492 6.807 ( -9.134 0.000 -20.154) 22.127 6.807 ( 9.134 0.000 -20.154) 22.127 6.807 ( -9.134 0.000 20.154) 22.127 6.807 ( 9.134 0.000 20.154) 22.127 8.741 ( -2.913 0.000 -3.837) 4.817 8.741 ( 2.913 0.000 -3.837) 4.817 8.741 ( -2.913 0.000 3.837) 4.817 8.741 ( 2.913 0.000 3.837) 4.817 8.846 ( -2.062 0.000 -6.814) 7.119 8.846 ( 2.062 0.000 -6.814) 7.119 8.846 ( -2.062 0.000 6.814) 7.119 8.846 ( 2.062 0.000 6.814) 7.119 9.253 ( -4.036 0.000 -3.904) 5.615 9.253 ( 4.036 0.000 -3.904) 5.615 9.253 ( -4.036 0.000 3.904) 5.615 9.253 ( 4.036 0.000 3.904) 5.615 9.537 ( -3.869 0.000 -5.530) 6.750 9.537 ( 3.869 0.000 -5.530) 6.750 9.537 ( -3.869 0.000 5.530) 6.750 9.537 ( 3.869 0.000 5.530) 6.750 9.784 ( -1.932 0.000 -0.903) 2.132 9.784 ( 1.932 0.000 -0.903) 2.132 9.784 ( -1.932 0.000 0.903) 2.132 9.784 ( 1.932 0.000 0.903) 2.132 10.165 ( -10.555 0.000 -9.169) 13.982 10.165 ( 10.555 0.000 -9.169) 13.982 10.165 ( -10.555 0.000 9.169) 13.982 10.165 ( 10.555 0.000 9.169) 13.982 10.400 ( -4.683 0.000 -1.665) 4.970 10.400 ( 4.683 0.000 -1.665) 4.970 10.400 ( -4.683 0.000 1.665) 4.970 10.400 ( 4.683 0.000 1.665) 4.970 10.891 ( -0.300 0.000 -1.155) 1.194 10.891 ( 0.300 0.000 -1.155) 1.194 10.891 ( -0.300 0.000 1.155) 1.194 10.891 ( 0.300 0.000 1.155) 1.194 11.651 ( -2.035 0.000 -2.869) 3.517 11.651 ( 2.035 0.000 -2.869) 3.517 11.651 ( -2.035 0.000 2.869) 3.517 11.651 ( 2.035 0.000 2.869) 3.517 11.809 ( -4.752 0.000 -18.118) 18.731 11.809 ( 4.752 0.000 -18.118) 18.731 11.809 ( -4.752 0.000 18.118) 18.731 11.809 ( 4.752 0.000 18.118) 18.731 12.971 ( -1.724 0.000 -2.205) 2.799 12.971 ( 1.724 0.000 -2.205) 2.799 12.971 ( -1.724 0.000 2.205) 2.799 12.971 ( 1.724 0.000 2.205) 2.799 13.207 ( -1.334 0.000 -5.462) 5.623 13.207 ( 1.334 0.000 -5.462) 5.623 13.207 ( -1.334 0.000 5.462) 5.623 13.207 ( 1.334 0.000 5.462) 5.623 13.347 ( -2.220 0.000 -2.379) 3.254 13.347 ( 2.220 0.000 -2.379) 3.254 13.347 ( -2.220 0.000 2.379) 3.254 13.347 ( 2.220 0.000 2.379) 3.254 13.549 ( -5.303 0.000 -3.122) 6.154 13.549 ( 5.303 0.000 -3.122) 6.154 13.549 ( -5.303 0.000 3.122) 6.154 13.549 ( 5.303 0.000 3.122) 6.154 13.849 ( -2.498 0.000 -3.168) 4.034 13.849 ( 2.498 0.000 -3.168) 4.034 13.849 ( -2.498 0.000 3.168) 4.034 13.849 ( 2.498 0.000 3.168) 4.034 14.112 ( -3.173 0.000 -1.171) 3.382 14.112 ( 3.173 0.000 -1.171) 3.382 14.112 ( -3.173 0.000 1.171) 3.382 14.112 ( 3.173 0.000 1.171) 3.382 15.564 ( -4.069 0.000 -4.355) 5.960 15.564 ( 4.069 0.000 -4.355) 5.960 15.564 ( -4.069 0.000 4.355) 5.960 15.564 ( 4.069 0.000 4.355) 5.960 16.176 ( -2.020 0.000 -3.448) 3.996 16.176 ( 2.020 0.000 -3.448) 3.996 16.176 ( -2.020 0.000 3.448) 3.996 16.176 ( 2.020 0.000 3.448) 3.996 17.553 ( -0.137 0.000 -0.166) 0.215 17.553 ( 0.137 0.000 -0.166) 0.215 17.553 ( -0.137 0.000 0.166) 0.215 17.553 ( 0.137 0.000 0.166) 0.215 17.737 ( -1.123 0.000 -1.964) 2.263 17.737 ( 1.123 0.000 -1.964) 2.263 17.737 ( -1.123 0.000 1.964) 2.263 17.737 ( 1.123 0.000 1.964) 2.263 17.962 ( -0.755 0.000 -1.189) 1.409 17.962 ( 0.755 0.000 -1.189) 1.409 17.962 ( -0.755 0.000 1.189) 1.409 17.962 ( 0.755 0.000 1.189) 1.409 18.148 ( -2.473 0.000 -1.624) 2.959 18.148 ( 2.473 0.000 -1.624) 2.959 18.148 ( -2.473 0.000 1.624) 2.959 18.148 ( 2.473 0.000 1.624) 2.959 18.703 ( -3.271 0.000 -4.048) 5.205 18.703 ( 3.271 0.000 -4.048) 5.205 18.703 ( -3.271 0.000 4.048) 5.205 18.703 ( 3.271 0.000 4.048) 5.205 18.861 ( -1.351 0.000 -3.724) 3.961 18.861 ( 1.351 0.000 -3.724) 3.961 18.861 ( -1.351 0.000 3.724) 3.961 18.861 ( 1.351 0.000 3.724) 3.961 19.397 ( -4.223 0.000 -1.119) 4.369 19.397 ( -4.223 0.000 1.119) 4.369 19.397 ( 4.223 0.000 -1.119) 4.369 19.397 ( 4.223 0.000 1.119) 4.369 19.578 ( -4.205 0.000 -3.672) 5.582 19.578 ( 4.205 0.000 -3.672) 5.582 19.578 ( -4.205 0.000 3.672) 5.582 19.578 ( 4.205 0.000 3.672) 5.582 20.076 ( -3.340 0.000 -0.362) 3.359 20.076 ( -3.340 0.000 0.362) 3.359 20.076 ( 3.340 0.000 -0.362) 3.359 20.076 ( 3.340 0.000 0.362) 3.359 29.784 ( -1.096 0.000 -1.861) 2.160 29.784 ( 1.096 0.000 -1.861) 2.160 29.784 ( -1.096 0.000 1.861) 2.160 29.784 ( 1.096 0.000 1.861) 2.160 29.920 ( -0.713 0.000 -2.024) 2.146 29.920 ( 0.713 0.000 -2.024) 2.146 29.920 ( -0.713 0.000 2.024) 2.146 29.920 ( 0.713 0.000 2.024) 2.146 30.674 ( -0.395 0.000 -0.428) 0.582 30.674 ( 0.395 0.000 -0.428) 0.582 30.674 ( -0.395 0.000 0.428) 0.582 30.674 ( 0.395 0.000 0.428) 0.582 31.673 ( -0.505 0.000 -2.944) 2.987 31.673 ( 0.505 0.000 -2.944) 2.987 31.673 ( -0.505 0.000 2.944) 2.987 31.673 ( 0.505 0.000 2.944) 2.987 32.161 ( -5.324 0.000 -0.499) 5.347 32.161 ( -5.324 0.000 0.499) 5.347 32.161 ( 5.324 0.000 -0.499) 5.347 32.161 ( 5.324 0.000 0.499) 5.347 32.351 ( -7.251 0.000 -6.160) 9.514 32.351 ( 7.251 0.000 -6.160) 9.514 32.351 ( -7.251 0.000 6.160) 9.514 32.351 ( 7.251 0.000 6.160) 9.514 32.775 ( -9.030 0.000 -18.068) 20.199 32.775 ( 9.030 0.000 -18.068) 20.199 32.775 ( -9.030 0.000 18.068) 20.199 32.775 ( 9.030 0.000 18.068) 20.199 33.646 ( -5.419 0.000 -3.689) 6.555 33.646 ( 5.419 0.000 -3.689) 6.555 33.646 ( -5.419 0.000 3.689) 6.555 33.646 ( 5.419 0.000 3.689) 6.555 34.596 ( -11.499 0.000 -4.411) 12.316 34.596 ( 11.499 0.000 -4.411) 12.316 34.596 ( -11.499 0.000 4.411) 12.316 34.596 ( 11.499 0.000 4.411) 12.316 35.256 ( -1.365 0.000 -1.124) 1.768 35.256 ( 1.365 0.000 -1.124) 1.768 35.256 ( -1.365 0.000 1.124) 1.768 35.256 ( 1.365 0.000 1.124) 1.768 36.243 ( -3.195 0.000 -8.171) 8.774 36.243 ( 3.195 0.000 -8.171) 8.774 36.243 ( -3.195 0.000 8.171) 8.774 36.243 ( 3.195 0.000 8.171) 8.774 37.281 ( -16.498 0.000 -10.348) 19.474 37.281 ( 16.498 0.000 -10.348) 19.474 37.281 ( -16.498 0.000 10.348) 19.474 37.281 ( 16.498 0.000 10.348) 19.474 ======================= Grid point 115 (40/48) ======================= q-point: ( 0.00 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( 0.000 2.259 -12.516) 12.719 1.728 ( 0.000 2.259 12.516) 12.719 2.070 ( 0.000 13.183 -5.245) 14.188 2.070 ( 0.000 13.183 5.245) 14.188 2.110 ( 0.000 10.944 -3.355) 11.447 2.110 ( 0.000 10.944 3.355) 11.447 2.164 ( 0.000 4.248 -19.560) 20.016 2.164 ( 0.000 4.248 19.560) 20.016 2.597 ( 0.000 2.039 -3.380) 3.948 2.597 ( 0.000 2.039 3.380) 3.948 2.600 ( 0.000 7.533 -4.823) 8.945 2.600 ( 0.000 7.533 4.823) 8.945 2.865 ( 0.000 0.791 -1.976) 2.128 2.865 ( 0.000 0.791 1.976) 2.128 2.890 ( 0.000 2.664 -7.855) 8.294 2.890 ( 0.000 2.664 7.855) 8.294 3.077 ( 0.000 9.034 -5.440) 10.546 3.077 ( 0.000 9.034 5.440) 10.546 3.360 ( 0.000 -1.125 -2.180) 2.453 3.360 ( 0.000 -1.125 2.180) 2.453 3.593 ( 0.000 8.301 -1.528) 8.440 3.593 ( 0.000 8.301 1.528) 8.440 3.835 ( 0.000 -2.502 -7.990) 8.372 3.835 ( 0.000 -2.502 7.990) 8.372 3.859 ( 0.000 -0.587 -6.718) 6.744 3.859 ( 0.000 -0.587 6.718) 6.744 3.983 ( 0.000 0.936 -14.642) 14.672 3.983 ( 0.000 0.936 14.642) 14.672 4.055 ( 0.000 3.407 -10.228) 10.780 4.055 ( 0.000 3.407 10.228) 10.780 4.147 ( 0.000 -9.615 -7.302) 12.073 4.147 ( 0.000 -9.615 7.302) 12.073 4.469 ( 0.000 -0.051 -6.051) 6.051 4.469 ( 0.000 -0.051 6.051) 6.051 4.508 ( 0.000 4.847 -7.128) 8.620 4.508 ( 0.000 4.847 7.128) 8.620 4.612 ( 0.000 1.690 -7.199) 7.395 4.612 ( 0.000 1.690 7.199) 7.395 4.756 ( 0.000 -7.409 -2.934) 7.969 4.756 ( 0.000 -7.409 2.934) 7.969 4.904 ( 0.000 -12.481 -2.942) 12.823 4.904 ( 0.000 -12.481 2.942) 12.823 4.937 ( 0.000 7.030 -6.343) 9.469 4.937 ( 0.000 7.030 6.343) 9.469 5.004 ( 0.000 -11.591 -2.688) 11.898 5.004 ( 0.000 -11.591 2.688) 11.898 5.144 ( 0.000 -1.325 -0.714) 1.505 5.144 ( 0.000 -1.325 0.714) 1.505 5.195 ( 0.000 6.402 -4.653) 7.914 5.195 ( 0.000 6.402 4.653) 7.914 5.409 ( 0.000 6.660 -3.701) 7.619 5.409 ( 0.000 6.660 3.701) 7.619 5.433 ( 0.000 -0.857 -8.624) 8.667 5.433 ( 0.000 -0.857 8.624) 8.667 5.569 ( 0.000 -10.301 -4.799) 11.364 5.569 ( 0.000 -10.301 4.799) 11.364 5.658 ( 0.000 2.408 -6.765) 7.181 5.658 ( 0.000 2.408 6.765) 7.181 5.974 ( 0.000 -7.607 -11.597) 13.869 5.974 ( 0.000 -7.607 11.597) 13.869 6.092 ( 0.000 0.307 -12.805) 12.809 6.092 ( 0.000 0.307 12.805) 12.809 6.189 ( 0.000 -5.216 -3.892) 6.508 6.189 ( 0.000 -5.216 3.892) 6.508 6.363 ( 0.000 4.333 -5.243) 6.802 6.363 ( 0.000 4.333 5.243) 6.802 6.585 ( 0.000 -0.011 -5.476) 5.476 6.585 ( 0.000 -0.011 5.476) 5.476 6.586 ( 0.000 4.317 -11.237) 12.038 6.586 ( 0.000 4.317 11.237) 12.038 6.981 ( 0.000 -3.616 -25.285) 25.542 6.981 ( 0.000 -3.616 25.285) 25.542 8.671 ( 0.000 0.552 -3.895) 3.934 8.671 ( 0.000 0.552 3.895) 3.934 8.749 ( 0.000 -3.204 -7.842) 8.471 8.749 ( 0.000 -3.204 7.842) 8.471 8.845 ( 0.000 6.270 -10.059) 11.853 8.845 ( 0.000 6.270 10.059) 11.853 8.988 ( 0.000 3.331 -5.157) 6.139 8.988 ( 0.000 3.331 5.157) 6.139 9.159 ( 0.000 2.871 -4.652) 5.467 9.159 ( 0.000 2.871 4.652) 5.467 9.223 ( 0.000 0.507 -2.437) 2.489 9.223 ( 0.000 0.507 2.437) 2.489 9.487 ( 0.000 1.385 -5.796) 5.959 9.487 ( 0.000 1.385 5.796) 5.959 9.505 ( 0.000 -0.513 -3.514) 3.551 9.505 ( 0.000 -0.513 3.514) 3.551 9.762 ( 0.000 -2.366 -7.001) 7.390 9.762 ( 0.000 -2.366 7.001) 7.390 9.848 ( 0.000 -0.789 -3.313) 3.406 9.848 ( 0.000 -0.789 3.313) 3.406 9.903 ( 0.000 -2.887 -3.624) 4.633 9.903 ( 0.000 -2.887 3.624) 4.633 10.281 ( 0.000 1.541 -2.524) 2.957 10.281 ( 0.000 1.541 2.524) 2.957 10.508 ( 0.000 7.876 -5.882) 9.830 10.508 ( 0.000 7.876 5.882) 9.830 10.599 ( 0.000 1.522 -6.886) 7.052 10.599 ( 0.000 1.522 6.886) 7.052 10.905 ( 0.000 0.767 -0.561) 0.950 10.905 ( 0.000 0.767 0.561) 0.950 11.007 ( 0.000 1.897 -2.178) 2.888 11.007 ( 0.000 1.897 2.178) 2.888 11.453 ( 0.000 -1.805 -11.858) 11.994 11.453 ( 0.000 -1.805 11.858) 11.994 11.543 ( 0.000 -3.618 -1.609) 3.960 11.543 ( 0.000 -3.618 1.609) 3.960 11.759 ( 0.000 0.629 -5.366) 5.403 11.759 ( 0.000 0.629 5.366) 5.403 11.910 ( 0.000 0.357 -15.491) 15.495 11.910 ( 0.000 0.357 15.491) 15.495 12.935 ( 0.000 -0.318 -2.316) 2.337 12.935 ( 0.000 -0.318 2.316) 2.337 12.953 ( 0.000 -3.298 -4.076) 5.243 12.953 ( 0.000 -3.298 4.076) 5.243 13.151 ( 0.000 1.744 -3.929) 4.298 13.151 ( 0.000 1.744 3.929) 4.298 13.207 ( 0.000 -4.031 -2.080) 4.536 13.207 ( 0.000 -4.031 2.080) 4.536 13.321 ( 0.000 1.165 -1.940) 2.263 13.321 ( 0.000 1.165 1.940) 2.263 13.404 ( 0.000 -1.234 -5.537) 5.673 13.404 ( 0.000 -1.234 5.537) 5.673 13.489 ( 0.000 -1.089 -3.006) 3.197 13.489 ( 0.000 -1.089 3.006) 3.197 13.727 ( 0.000 -2.282 -3.124) 3.869 13.727 ( 0.000 -2.282 3.124) 3.869 13.801 ( 0.000 1.606 -3.922) 4.238 13.801 ( 0.000 1.606 3.922) 4.238 13.920 ( 0.000 -1.247 -3.703) 3.907 13.920 ( 0.000 -1.247 3.703) 3.907 14.018 ( 0.000 2.328 -3.348) 4.077 14.018 ( 0.000 2.328 3.348) 4.077 14.137 ( 0.000 -2.523 -1.601) 2.988 14.137 ( 0.000 -2.523 1.601) 2.988 15.442 ( 0.000 0.335 -8.858) 8.865 15.442 ( 0.000 0.335 8.858) 8.865 15.610 ( 0.000 -3.722 -2.517) 4.493 15.610 ( 0.000 -3.722 2.517) 4.493 16.114 ( 0.000 -2.862 -4.717) 5.517 16.114 ( 0.000 -2.862 4.717) 5.517 16.222 ( 0.000 -2.428 -6.244) 6.700 16.222 ( 0.000 -2.428 6.244) 6.700 17.571 ( 0.000 0.126 -2.100) 2.103 17.571 ( 0.000 0.126 2.100) 2.103 17.577 ( 0.000 -0.489 -0.791) 0.930 17.577 ( 0.000 -0.489 0.791) 0.930 17.672 ( 0.000 -0.243 -0.436) 0.499 17.672 ( 0.000 -0.243 0.436) 0.499 17.743 ( 0.000 -0.432 -1.835) 1.886 17.743 ( 0.000 -0.432 1.835) 1.886 17.928 ( 0.000 0.320 -2.426) 2.447 17.928 ( 0.000 0.320 2.426) 2.447 17.979 ( 0.000 -0.089 -2.214) 2.215 17.979 ( 0.000 -0.089 2.214) 2.215 18.087 ( 0.000 0.215 -1.102) 1.123 18.087 ( 0.000 0.215 1.102) 1.123 18.195 ( 0.000 -1.478 -5.522) 5.716 18.195 ( 0.000 -1.478 5.522) 5.716 18.557 ( 0.000 1.334 -4.246) 4.450 18.557 ( 0.000 1.334 4.246) 4.450 18.641 ( 0.000 -0.970 -11.287) 11.329 18.641 ( 0.000 -0.970 11.287) 11.329 18.917 ( 0.000 3.755 -5.919) 7.010 18.917 ( 0.000 3.755 5.919) 7.010 18.930 ( 0.000 1.823 -2.703) 3.260 18.930 ( 0.000 1.823 2.703) 3.260 19.406 ( 0.000 -0.149 -1.695) 1.702 19.406 ( 0.000 -0.149 1.695) 1.702 19.408 ( 0.000 0.260 -4.215) 4.223 19.408 ( 0.000 0.260 4.215) 4.223 19.604 ( 0.000 -2.494 -5.071) 5.651 19.604 ( 0.000 -2.494 5.071) 5.651 19.645 ( 0.000 -2.749 -2.760) 3.895 19.645 ( 0.000 -2.749 2.760) 3.895 19.979 ( 0.000 3.012 -1.839) 3.529 19.979 ( 0.000 3.012 1.839) 3.529 20.155 ( 0.000 -0.041 -2.657) 2.657 20.155 ( 0.000 -0.041 2.657) 2.657 29.766 ( 0.000 0.260 -2.681) 2.694 29.766 ( 0.000 0.260 2.681) 2.694 29.823 ( 0.000 -1.438 -0.946) 1.721 29.823 ( 0.000 -1.438 0.946) 1.721 29.868 ( 0.000 -0.467 -1.588) 1.655 29.868 ( 0.000 -0.467 1.588) 1.655 29.921 ( 0.000 -0.579 -2.658) 2.721 29.921 ( 0.000 -0.579 2.658) 2.721 30.674 ( 0.000 0.861 -0.837) 1.201 30.674 ( 0.000 0.861 0.837) 1.201 30.698 ( 0.000 0.981 -0.793) 1.262 30.698 ( 0.000 0.981 0.793) 1.262 31.709 ( 0.000 4.318 -2.177) 4.836 31.709 ( 0.000 4.318 2.177) 4.836 31.746 ( 0.000 6.980 -1.901) 7.234 31.746 ( 0.000 6.980 1.901) 7.234 32.005 ( 0.000 5.827 -3.462) 6.778 32.005 ( 0.000 5.827 3.462) 6.778 32.186 ( 0.000 -1.310 -8.400) 8.502 32.186 ( 0.000 -1.310 8.400) 8.502 32.335 ( 0.000 1.665 -7.660) 7.839 32.335 ( 0.000 1.665 7.660) 7.839 32.443 ( 0.000 -0.669 -10.498) 10.520 32.443 ( 0.000 -0.669 10.498) 10.520 32.709 ( 0.000 1.252 -15.596) 15.646 32.709 ( 0.000 1.252 15.596) 15.646 33.046 ( 0.000 3.049 -4.701) 5.603 33.046 ( 0.000 3.049 4.701) 5.603 33.614 ( 0.000 -10.848 -6.266) 12.527 33.614 ( 0.000 -10.848 6.266) 12.527 33.711 ( 0.000 -9.564 -7.811) 12.348 33.711 ( 0.000 -9.564 7.811) 12.348 34.504 ( 0.000 15.602 -8.673) 17.851 34.504 ( 0.000 15.602 8.673) 17.851 34.814 ( 0.000 4.805 -6.829) 8.350 34.814 ( 0.000 4.805 6.829) 8.350 35.332 ( 0.000 1.286 -2.998) 3.262 35.332 ( 0.000 1.286 2.998) 3.262 35.419 ( 0.000 -1.639 -5.233) 5.483 35.419 ( 0.000 -1.639 5.233) 5.483 36.039 ( 0.000 -3.569 -8.293) 9.028 36.039 ( 0.000 -3.569 8.293) 9.028 36.118 ( 0.000 -5.270 -9.463) 10.831 36.118 ( 0.000 -5.270 9.463) 10.831 36.778 ( 0.000 2.514 -9.026) 9.370 36.778 ( 0.000 2.514 9.026) 9.370 37.543 ( 0.000 -9.648 -14.291) 17.243 37.543 ( 0.000 -9.648 14.291) 17.243 ======================= Grid point 117 (41/48) ======================= q-point: ( 0.25 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.847 ( 7.921 2.742 -13.882) 16.216 1.847 ( 7.921 2.742 13.882) 16.216 2.001 ( -0.335 7.517 -11.658) 13.875 2.001 ( -0.335 7.517 11.658) 13.875 2.192 ( 7.402 10.289 -5.186) 13.694 2.192 ( 7.402 10.289 5.186) 13.694 2.444 ( 11.780 0.005 -5.926) 13.186 2.444 ( 11.780 0.005 5.926) 13.186 2.510 ( 2.937 3.282 -9.162) 10.166 2.510 ( 2.937 3.282 9.162) 10.166 2.675 ( -1.415 7.369 -1.699) 7.694 2.675 ( -1.415 7.369 1.699) 7.694 2.840 ( 4.132 9.541 -9.840) 14.315 2.840 ( 4.132 9.541 9.840) 14.315 2.980 ( 3.377 4.068 -5.904) 7.925 2.980 ( 3.377 4.068 5.904) 7.925 3.046 ( 0.934 6.945 -2.884) 7.578 3.046 ( 0.934 6.945 2.884) 7.578 3.357 ( -4.079 2.951 -1.939) 5.395 3.357 ( -4.079 2.951 1.939) 5.395 3.521 ( -8.050 -0.927 -2.520) 8.485 3.521 ( -8.050 -0.927 2.520) 8.485 3.710 ( -2.526 2.316 -7.944) 8.651 3.710 ( -2.526 2.316 7.944) 8.651 3.869 ( -2.616 -0.875 -3.647) 4.573 3.869 ( -2.616 -0.875 3.647) 4.573 3.991 ( 3.710 2.466 -17.656) 18.209 3.991 ( 3.710 2.466 17.656) 18.209 4.113 ( 1.000 -0.173 -6.198) 6.281 4.113 ( 1.000 -0.173 6.198) 6.281 4.208 ( 5.843 -6.614 -8.088) 11.971 4.208 ( 5.843 -6.614 8.088) 11.971 4.435 ( -6.318 0.084 -2.184) 6.685 4.435 ( -6.318 0.084 2.184) 6.685 4.489 ( -1.394 -3.374 -6.944) 7.845 4.489 ( -1.394 -3.374 6.944) 7.845 4.604 ( -4.120 0.901 -9.240) 10.157 4.604 ( -4.120 0.901 9.240) 10.157 4.652 ( -4.432 -6.460 -2.353) 8.179 4.652 ( -4.432 -6.460 2.353) 8.179 4.771 ( -2.274 -1.940 -1.158) 3.206 4.771 ( -2.274 -1.940 1.158) 3.206 4.912 ( -3.082 -2.166 -4.621) 5.962 4.912 ( -3.082 -2.166 4.621) 5.962 5.111 ( 2.599 3.939 -3.411) 5.823 5.111 ( 2.599 3.939 3.411) 5.823 5.141 ( 3.682 -1.419 -2.994) 4.954 5.141 ( 3.682 -1.419 2.994) 4.954 5.320 ( 3.857 6.278 -4.027) 8.396 5.320 ( 3.857 6.278 4.027) 8.396 5.424 ( 2.395 -2.859 -3.850) 5.360 5.424 ( 2.395 -2.859 3.850) 5.360 5.470 ( 3.486 1.448 -5.085) 6.333 5.470 ( 3.486 1.448 5.085) 6.333 5.567 ( 0.086 -7.067 -5.352) 8.865 5.567 ( 0.086 -7.067 5.352) 8.865 5.620 ( -2.326 -1.818 -2.597) 3.932 5.620 ( -2.326 -1.818 2.597) 3.932 5.781 ( -11.569 2.069 -8.732) 14.641 5.781 ( -11.569 2.069 8.732) 14.641 6.072 ( -0.157 -9.156 -4.227) 10.085 6.072 ( -0.157 -9.156 4.227) 10.085 6.207 ( -4.902 -6.132 -9.639) 12.432 6.207 ( -4.902 -6.132 9.639) 12.432 6.418 ( 5.294 2.492 -13.989) 15.163 6.418 ( 5.294 2.492 13.989) 15.163 6.551 ( -2.340 3.235 -8.550) 9.436 6.551 ( -2.340 3.235 8.550) 9.436 6.644 ( 5.421 1.906 -7.751) 9.649 6.644 ( 5.421 1.906 7.751) 9.649 6.935 ( -4.573 -2.348 -22.374) 22.957 6.935 ( -4.573 -2.348 22.374) 22.957 8.702 ( 2.527 0.950 -3.191) 4.180 8.702 ( 2.527 0.950 3.191) 4.180 8.763 ( 1.242 -2.404 -7.232) 7.722 8.763 ( 1.242 -2.404 7.232) 7.722 8.829 ( -0.875 4.226 -9.888) 10.789 8.829 ( -0.875 4.226 9.888) 10.789 8.950 ( -3.526 2.881 -5.422) 7.080 8.950 ( -3.526 2.881 5.422) 7.080 9.183 ( 3.087 1.678 -4.219) 5.490 9.183 ( 3.087 1.678 4.219) 5.490 9.281 ( 2.441 1.258 -0.468) 2.786 9.281 ( 2.441 1.258 0.468) 2.786 9.476 ( 1.496 0.399 -1.901) 2.452 9.476 ( 1.496 0.399 1.901) 2.452 9.571 ( 2.918 1.218 -1.736) 3.607 9.571 ( 2.918 1.218 1.736) 3.607 9.735 ( -2.628 -4.686 -3.446) 6.383 9.735 ( -2.628 -4.686 3.446) 6.383 9.795 ( -2.073 -1.038 -2.678) 3.542 9.795 ( -2.073 -1.038 2.678) 3.542 9.983 ( 6.190 -0.882 -5.992) 8.660 9.983 ( 6.190 -0.882 5.992) 8.660 10.283 ( -1.563 -0.910 -4.655) 4.994 10.283 ( -1.563 -0.910 4.655) 4.994 10.474 ( -2.677 7.279 -8.369) 11.410 10.474 ( -2.677 7.279 8.369) 11.410 10.548 ( -3.419 4.734 -1.965) 6.161 10.548 ( -3.419 4.734 1.965) 6.161 10.904 ( -0.068 1.657 -0.541) 1.745 10.904 ( -0.068 1.657 0.541) 1.745 10.955 ( -3.274 2.919 -1.264) 4.565 10.955 ( -3.274 2.919 1.264) 4.565 11.514 ( 4.968 -5.016 -4.922) 8.606 11.514 ( 4.968 -5.016 4.922) 8.606 11.610 ( 4.178 -1.348 -2.306) 4.959 11.610 ( 4.178 -1.348 2.306) 4.959 11.768 ( 0.879 -0.121 -8.618) 8.664 11.768 ( 0.879 -0.121 8.618) 8.664 11.876 ( -2.899 -0.209 -15.464) 15.735 11.876 ( -2.899 -0.209 15.464) 15.735 12.937 ( 0.322 -0.565 -1.906) 2.014 12.937 ( 0.322 -0.565 1.906) 2.014 12.957 ( 0.060 -3.083 -2.938) 4.259 12.957 ( 0.060 -3.083 2.938) 4.259 13.159 ( 0.780 -0.179 -3.170) 3.270 13.159 ( 0.780 -0.179 3.170) 3.270 13.200 ( -0.524 -2.752 -3.065) 4.152 13.200 ( -0.524 -2.752 3.065) 4.152 13.325 ( 0.085 -0.370 -2.227) 2.259 13.325 ( 0.085 -0.370 2.227) 2.259 13.379 ( -2.111 -1.429 -3.991) 4.735 13.379 ( -2.111 -1.429 3.991) 4.735 13.496 ( 1.565 0.922 -2.561) 3.139 13.496 ( 1.565 0.922 2.561) 3.139 13.679 ( -4.675 0.275 -0.725) 4.739 13.679 ( -4.675 0.275 0.725) 4.739 13.800 ( 1.030 -0.323 -2.199) 2.450 13.800 ( 1.030 -0.323 2.199) 2.450 13.892 ( -2.333 -1.165 -2.797) 3.824 13.892 ( -2.333 -1.165 2.797) 3.824 14.055 ( 2.993 1.548 -1.635) 3.745 14.055 ( 2.993 1.548 1.635) 3.745 14.143 ( -0.134 -1.257 -0.508) 1.362 14.143 ( -0.134 -1.257 0.508) 1.362 15.476 ( 3.025 -0.233 -7.781) 8.352 15.476 ( 3.025 -0.233 7.781) 8.352 15.596 ( -1.473 -3.044 -2.909) 4.461 15.596 ( -1.473 -3.044 2.909) 4.461 16.119 ( 0.630 -2.720 -4.585) 5.368 16.119 ( 0.630 -2.720 4.585) 5.368 16.197 ( -2.212 -2.494 -5.778) 6.670 16.197 ( -2.212 -2.494 5.778) 6.670 17.556 ( -1.006 -0.718 -0.677) 1.409 17.556 ( -1.006 -0.718 0.677) 1.409 17.561 ( -1.029 -0.241 -0.684) 1.259 17.561 ( -1.029 -0.241 0.684) 1.259 17.699 ( 1.954 -0.159 -1.314) 2.360 17.699 ( 1.954 -0.159 1.314) 2.360 17.743 ( -0.096 -0.445 -1.979) 2.031 17.743 ( -0.096 -0.445 1.979) 2.031 17.945 ( 1.273 0.084 -1.775) 2.186 17.945 ( 1.273 0.084 1.775) 2.186 17.980 ( -0.093 0.536 -1.480) 1.577 17.980 ( -0.093 0.536 1.480) 1.577 18.099 ( 1.161 -0.220 -1.136) 1.639 18.099 ( 1.161 -0.220 1.136) 1.639 18.176 ( -1.756 -1.509 -4.131) 4.736 18.176 ( -1.756 -1.509 4.131) 4.736 18.602 ( 4.214 0.499 -1.895) 4.647 18.602 ( 4.214 0.499 1.895) 4.647 18.674 ( 2.220 -1.498 -8.377) 8.794 18.674 ( 2.220 -1.498 8.377) 8.794 18.903 ( -0.807 3.121 -1.890) 3.737 18.903 ( -0.807 3.121 1.890) 3.737 18.927 ( -0.700 2.920 -2.000) 3.608 18.927 ( -0.700 2.920 2.000) 3.608 19.368 ( -0.842 0.236 -0.781) 1.172 19.368 ( -0.842 0.236 0.781) 1.172 19.467 ( 1.892 -0.668 -1.039) 2.259 19.467 ( 1.892 -0.668 1.039) 2.259 19.525 ( -4.572 -1.498 -2.657) 5.496 19.525 ( -4.572 -1.498 2.657) 5.496 19.627 ( -2.206 -2.199 -2.615) 4.067 19.627 ( -2.206 -2.199 2.615) 4.067 20.023 ( 3.390 2.259 -1.084) 4.216 20.023 ( 3.390 2.259 1.084) 4.216 20.138 ( -1.592 0.474 -1.889) 2.516 20.138 ( -1.592 0.474 1.889) 2.516 29.770 ( 0.391 0.186 -2.598) 2.634 29.770 ( 0.391 0.186 2.598) 2.634 29.805 ( -1.204 -0.734 -0.806) 1.625 29.805 ( -1.204 -0.734 0.806) 1.625 29.886 ( 1.226 -0.934 -0.818) 1.744 29.886 ( 1.226 -0.934 0.818) 1.744 29.919 ( -0.250 -0.738 -2.418) 2.540 29.919 ( -0.250 -0.738 2.418) 2.540 30.677 ( 0.308 0.907 -0.864) 1.290 30.677 ( 0.308 0.907 0.864) 1.290 30.694 ( -0.366 1.001 -0.835) 1.354 30.694 ( -0.366 1.001 0.835) 1.354 31.718 ( 0.852 4.844 -2.118) 5.355 31.718 ( 0.852 4.844 2.118) 5.355 31.750 ( 0.022 6.887 -2.388) 7.289 31.750 ( 0.022 6.887 2.388) 7.289 32.054 ( 4.596 3.411 -2.994) 6.459 32.054 ( 4.596 3.411 2.994) 6.459 32.198 ( 0.632 -0.890 -7.483) 7.563 32.198 ( 0.632 -0.890 7.483) 7.563 32.302 ( -1.560 1.440 -7.803) 8.086 32.302 ( -1.560 1.440 7.803) 8.086 32.440 ( -2.244 -2.329 -4.593) 5.617 32.440 ( -2.244 -2.329 4.593) 5.617 32.717 ( 2.391 4.519 -11.480) 12.567 32.717 ( 2.391 4.519 11.480) 12.567 33.004 ( -5.392 3.898 -7.272) 9.856 33.004 ( -5.392 3.898 7.272) 9.856 33.541 ( -2.144 -7.492 -3.338) 8.477 33.541 ( -2.144 -7.492 3.338) 8.477 33.702 ( -3.624 -8.000 -7.170) 11.337 33.702 ( -3.624 -8.000 7.170) 11.337 34.491 ( 2.397 10.220 -5.481) 11.842 34.491 ( 2.397 10.220 5.481) 11.842 34.803 ( -4.256 3.431 -5.368) 7.662 34.803 ( -4.256 3.431 5.368) 7.662 35.297 ( -3.737 0.472 -1.027) 3.904 35.297 ( -3.737 0.472 1.027) 3.904 35.326 ( -3.027 2.040 -2.991) 4.719 35.326 ( -3.027 2.040 2.991) 4.719 36.119 ( 5.039 -3.362 -9.412) 11.193 36.119 ( 5.039 -3.362 9.412) 11.193 36.202 ( 4.365 -4.594 -4.862) 7.987 36.202 ( 4.365 -4.594 4.862) 7.987 36.911 ( 12.630 -0.750 -3.054) 13.016 36.911 ( 12.630 -0.750 3.054) 13.016 37.457 ( -8.208 -8.766 -13.100) 17.771 37.457 ( -8.208 -8.766 13.100) 17.771 ======================= Grid point 119 (42/48) ======================= q-point: (-0.50 0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.970 ( -1.766 3.082 -5.464) 6.517 1.970 ( -0.557 3.082 -5.435) 6.273 1.970 ( 0.557 3.082 5.435) 6.273 1.970 ( 1.766 3.082 5.464) 6.517 2.369 ( -10.157 7.773 -6.230) 14.227 2.369 ( 9.803 7.773 -6.167) 13.948 2.369 ( -9.803 7.773 6.167) 13.948 2.369 ( 10.157 7.773 6.230) 14.227 2.694 ( -3.341 1.157 -9.236) 9.890 2.694 ( 3.135 1.157 -9.228) 9.814 2.694 ( -3.135 1.157 9.228) 9.814 2.694 ( 3.341 1.157 9.236) 9.890 2.929 ( -11.911 7.500 -5.695) 15.184 2.929 ( 11.544 7.500 -5.610) 14.866 2.929 ( -11.544 7.500 5.610) 14.866 2.929 ( 11.911 7.500 5.695) 15.184 3.202 ( -9.446 8.195 -4.845) 13.411 3.202 ( 8.197 8.195 -4.585) 12.465 3.202 ( -8.197 8.195 4.585) 12.465 3.202 ( 9.446 8.195 4.845) 13.411 3.511 ( -12.073 0.267 -3.718) 12.635 3.511 ( -4.644 0.267 -0.152) 4.654 3.511 ( 4.644 0.267 0.152) 4.654 3.511 ( 12.073 0.267 3.718) 12.635 3.994 ( -6.282 -2.150 -2.065) 6.954 3.994 ( -2.771 -2.150 -0.856) 3.610 3.994 ( 2.771 -2.150 0.856) 3.610 3.994 ( 6.282 -2.150 2.065) 6.954 4.169 ( -7.599 2.972 -7.316) 10.959 4.169 ( 7.001 2.972 -7.249) 10.507 4.169 ( -7.001 2.972 7.249) 10.507 4.169 ( 7.599 2.972 7.316) 10.960 4.413 ( -5.360 -10.056 -10.572) 15.545 4.413 ( 5.076 -10.056 -10.557) 15.438 4.413 ( -5.076 -10.056 10.557) 15.438 4.413 ( 5.360 -10.056 10.572) 15.545 4.560 ( -2.987 -1.732 -4.235) 5.464 4.560 ( 2.977 -1.732 -4.234) 5.458 4.560 ( -2.977 -1.732 4.234) 5.458 4.560 ( 2.987 -1.732 4.235) 5.464 4.838 ( -3.980 -0.002 -6.369) 7.510 4.838 ( 2.599 -0.002 -6.289) 6.805 4.838 ( -2.599 -0.002 6.289) 6.805 4.838 ( 3.980 -0.002 6.369) 7.510 5.158 ( -2.055 7.576 -2.972) 8.394 5.158 ( 1.633 7.576 -2.943) 8.290 5.158 ( -1.633 7.576 2.943) 8.290 5.158 ( 2.055 7.576 2.972) 8.394 5.387 ( -3.841 1.602 -3.218) 5.261 5.387 ( 3.061 1.602 -3.124) 4.658 5.387 ( -3.061 1.602 3.124) 4.658 5.387 ( 3.841 1.602 3.218) 5.261 5.543 ( -2.648 -4.770 -2.313) 5.926 5.543 ( 1.989 -4.770 -2.239) 5.633 5.543 ( -1.989 -4.770 2.239) 5.633 5.543 ( 2.648 -4.770 2.313) 5.926 5.643 ( -4.308 -1.190 -3.291) 5.551 5.643 ( 4.143 -1.190 -3.268) 5.409 5.643 ( -4.143 -1.190 3.268) 5.409 5.643 ( 4.308 -1.190 3.291) 5.551 6.097 ( -3.495 -8.880 -8.875) 13.032 6.097 ( 3.375 -8.880 -8.870) 12.997 6.097 ( -3.375 -8.880 8.870) 12.997 6.097 ( 3.495 -8.880 8.875) 13.032 6.495 ( -2.819 2.740 -10.265) 10.992 6.495 ( 2.803 2.740 -10.265) 10.988 6.495 ( -2.803 2.740 10.265) 10.988 6.495 ( 2.819 2.740 10.265) 10.992 6.799 ( -8.055 -0.071 -16.362) 18.238 6.799 ( 7.987 -0.071 -16.359) 18.204 6.799 ( -7.987 -0.071 16.359) 18.204 6.799 ( 8.055 -0.071 16.362) 18.238 8.754 ( -0.879 0.858 -4.666) 4.825 8.754 ( 0.288 0.858 -4.657) 4.745 8.754 ( -0.288 0.858 4.657) 4.745 8.754 ( 0.879 0.858 4.666) 4.825 8.864 ( -3.734 1.497 -6.471) 7.620 8.864 ( 3.350 1.497 -6.448) 7.419 8.864 ( -3.350 1.497 6.448) 7.419 8.864 ( 3.734 1.497 6.471) 7.620 9.264 ( -3.218 1.099 -4.928) 5.987 9.264 ( 2.738 1.099 -4.895) 5.716 9.264 ( -2.738 1.099 4.895) 5.716 9.264 ( 3.218 1.099 4.928) 5.987 9.544 ( -3.363 0.115 -4.746) 5.818 9.544 ( 2.052 0.115 -4.662) 5.095 9.544 ( -2.052 0.115 4.662) 5.095 9.544 ( 3.363 0.115 4.746) 5.818 9.747 ( -2.016 -2.241 -2.319) 3.803 9.747 ( 0.227 -2.241 -2.221) 3.163 9.747 ( -0.227 -2.241 2.221) 3.163 9.747 ( 2.016 -2.241 2.319) 3.803 10.152 ( -9.181 -1.642 -8.626) 12.704 10.152 ( 8.516 -1.642 -8.549) 12.178 10.152 ( -8.516 -1.642 8.549) 12.178 10.152 ( 9.181 -1.642 8.626) 12.704 10.481 ( -2.771 7.181 -4.185) 8.761 10.481 ( 2.599 7.181 -4.172) 8.703 10.481 ( -2.599 7.181 4.172) 8.703 10.481 ( 2.771 7.181 4.185) 8.761 10.910 ( -0.450 2.626 -2.211) 3.462 10.910 ( 0.183 2.626 -2.207) 3.435 10.910 ( -0.183 2.626 2.207) 3.435 10.910 ( 0.450 2.626 2.211) 3.462 11.617 ( -3.538 -3.364 -1.870) 5.228 11.617 ( 1.537 -3.364 -1.539) 4.006 11.617 ( -1.537 -3.364 1.539) 4.006 11.617 ( 3.538 -3.364 1.870) 5.228 11.810 ( -3.052 -0.644 -16.141) 16.440 11.810 ( 3.028 -0.644 -16.141) 16.435 11.810 ( -3.028 -0.644 16.141) 16.435 11.810 ( 3.052 -0.644 16.141) 16.440 12.949 ( -0.587 -1.754 -2.351) 2.992 12.949 ( 0.530 -1.754 -2.350) 2.980 12.949 ( -0.530 -1.754 2.350) 2.980 12.949 ( 0.587 -1.754 2.351) 2.992 13.183 ( -1.095 -2.216 -3.627) 4.389 13.183 ( 1.016 -2.216 -3.624) 4.368 13.183 ( -1.016 -2.216 3.624) 4.368 13.183 ( 1.095 -2.216 3.627) 4.389 13.336 ( -1.499 -1.098 -2.049) 2.766 13.336 ( 1.470 -1.098 -2.047) 2.749 13.336 ( -1.470 -1.098 2.047) 2.749 13.336 ( 1.499 -1.098 2.049) 2.766 13.570 ( -4.775 1.885 -2.341) 5.642 13.570 ( 0.808 1.885 -1.738) 2.688 13.570 ( -0.808 1.885 1.738) 2.688 13.570 ( 4.775 1.885 2.341) 5.642 13.840 ( -1.766 -1.012 -3.391) 3.955 13.840 ( 0.978 -1.012 -3.355) 3.638 13.840 ( -0.978 -1.012 3.355) 3.638 13.840 ( 1.766 -1.012 3.391) 3.955 14.116 ( -1.791 0.375 -1.290) 2.239 14.116 ( -0.446 0.375 -1.153) 1.292 14.116 ( 0.446 0.375 1.153) 1.292 14.116 ( 1.791 0.375 1.290) 2.239 15.546 ( -3.229 -1.594 -5.201) 6.326 15.546 ( 3.202 -1.594 -5.199) 6.311 15.546 ( -3.202 -1.594 5.199) 6.311 15.546 ( 3.229 -1.594 5.201) 6.326 16.147 ( -2.188 -2.559 -4.884) 5.932 16.147 ( 2.186 -2.559 -4.884) 5.931 16.147 ( -2.186 -2.559 4.884) 5.931 16.147 ( 2.188 -2.559 4.884) 5.932 17.547 ( -0.111 -0.703 -0.566) 0.909 17.547 ( 0.076 -0.703 -0.565) 0.905 17.547 ( -0.076 -0.703 0.565) 0.905 17.547 ( 0.111 -0.703 0.566) 0.909 17.732 ( -0.977 -0.330 -2.363) 2.578 17.732 ( 0.905 -0.330 -2.360) 2.549 17.732 ( -0.905 -0.330 2.360) 2.549 17.732 ( 0.977 -0.330 2.363) 2.578 17.969 ( -0.903 0.535 -0.886) 1.374 17.969 ( 0.785 0.535 -0.874) 1.291 17.969 ( -0.785 0.535 0.874) 1.291 17.969 ( 0.903 0.535 0.886) 1.374 18.133 ( -1.990 -1.056 -2.172) 3.129 18.133 ( 1.756 -1.056 -2.150) 2.970 18.133 ( -1.756 -1.056 2.150) 2.970 18.133 ( 1.990 -1.056 2.172) 3.129 18.684 ( -1.994 -1.453 -4.262) 4.925 18.684 ( 1.839 -1.453 -4.255) 4.858 18.684 ( -1.839 -1.453 4.255) 4.858 18.684 ( 1.994 -1.453 4.262) 4.925 18.903 ( -0.542 3.454 -4.703) 5.860 18.903 ( 0.417 3.454 -4.701) 5.848 18.903 ( -0.417 3.454 4.701) 5.848 18.903 ( 0.542 3.454 4.703) 5.860 19.394 ( -3.209 -0.290 -1.566) 3.582 19.394 ( -0.575 -0.290 -1.159) 1.326 19.394 ( 0.575 -0.290 1.159) 1.326 19.394 ( 3.209 -0.290 1.566) 3.582 19.562 ( -3.671 -1.402 -3.280) 5.118 19.562 ( 3.407 -1.402 -3.248) 4.911 19.562 ( -3.407 -1.402 3.248) 4.911 19.562 ( 3.671 -1.402 3.280) 5.118 20.091 ( -2.714 1.390 -0.532) 3.096 20.091 ( -2.212 1.390 -0.093) 2.614 20.091 ( 2.212 1.390 0.093) 2.614 20.091 ( 2.714 1.390 0.532) 3.096 29.783 ( -0.807 -0.111 -2.273) 2.415 29.783 ( 0.773 -0.111 -2.272) 2.402 29.783 ( -0.773 -0.111 2.272) 2.402 29.783 ( 0.807 -0.111 2.273) 2.415 29.908 ( -0.685 -0.997 -2.324) 2.620 29.908 ( 0.606 -0.997 -2.321) 2.598 29.908 ( -0.606 -0.997 2.321) 2.598 29.908 ( 0.685 -0.997 2.324) 2.620 30.685 ( -0.456 0.984 -0.887) 1.401 30.685 ( 0.455 0.984 -0.887) 1.401 30.685 ( -0.455 0.984 0.887) 1.401 30.685 ( 0.456 0.984 0.887) 1.401 31.739 ( -1.008 6.058 -2.575) 6.659 31.739 ( 1.002 6.058 -2.574) 6.658 31.739 ( -1.002 6.058 2.574) 6.658 31.739 ( 1.008 6.058 2.575) 6.659 32.160 ( -3.758 -0.099 -2.071) 4.292 32.160 ( -0.293 -0.099 -1.652) 1.681 32.160 ( 0.293 -0.099 1.652) 1.681 32.160 ( 3.758 -0.099 2.071) 4.292 32.344 ( -5.116 -0.318 -7.547) 9.123 32.344 ( 4.879 -0.318 -7.529) 8.978 32.344 ( -4.879 -0.318 7.529) 8.978 32.344 ( 5.116 -0.318 7.547) 9.123 32.838 ( -6.985 5.828 -13.572) 16.339 32.838 ( 5.255 5.828 -13.485) 15.602 32.838 ( -5.255 5.828 13.485) 15.602 32.838 ( 6.985 5.828 13.572) 16.339 33.589 ( -5.582 -5.679 -5.772) 9.835 33.589 ( 5.576 -5.679 -5.772) 9.831 33.589 ( -5.576 -5.679 5.772) 9.831 33.589 ( 5.582 -5.679 5.772) 9.835 34.633 ( -9.447 3.611 -5.666) 11.592 34.633 ( 6.294 3.611 -5.157) 8.902 34.633 ( -6.294 3.611 5.157) 8.902 34.633 ( 9.447 3.611 5.666) 11.592 35.281 ( -1.587 2.327 -2.827) 3.990 35.281 ( 1.555 2.327 -2.825) 3.976 35.281 ( -1.555 2.327 2.825) 3.976 35.281 ( 1.587 2.327 2.827) 3.990 36.210 ( -2.975 -3.165 -7.385) 8.568 36.210 ( 2.964 -3.165 -7.385) 8.564 36.210 ( -2.964 -3.165 7.385) 8.564 36.210 ( 2.975 -3.165 7.385) 8.568 37.216 ( -14.594 -5.983 -8.747) 18.036 37.216 ( 14.097 -5.983 -8.656) 17.592 37.216 ( -14.097 -5.983 8.656) 17.592 37.216 ( 14.594 -5.983 8.747) 18.036 ======================= Grid point 125 (43/48) ======================= q-point: ( 0.00 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 0.000 10.672 -5.856) 12.174 1.867 ( 0.000 10.672 5.856) 12.174 2.193 ( 0.000 -1.679 -14.110) 14.210 2.193 ( 0.000 -1.679 14.110) 14.210 2.305 ( 0.000 7.446 -4.309) 8.603 2.305 ( 0.000 7.446 4.309) 8.603 2.311 ( 0.000 8.496 -3.479) 9.181 2.311 ( 0.000 8.496 3.479) 9.181 2.691 ( 0.000 2.804 -6.587) 7.159 2.691 ( 0.000 2.804 6.587) 7.159 2.714 ( 0.000 9.330 -1.707) 9.485 2.714 ( 0.000 9.330 1.707) 9.485 2.949 ( 0.000 5.800 -8.835) 10.568 2.949 ( 0.000 5.800 8.835) 10.568 2.976 ( 0.000 4.426 -9.044) 10.069 2.976 ( 0.000 4.426 9.044) 10.069 3.310 ( 0.000 14.047 -15.656) 21.035 3.310 ( 0.000 14.047 15.656) 21.035 3.329 ( 0.000 -1.413 -8.023) 8.146 3.329 ( 0.000 -1.413 8.023) 8.146 3.691 ( 0.000 4.499 -6.325) 7.762 3.691 ( 0.000 4.499 6.325) 7.762 3.739 ( 0.000 -10.887 -6.624) 12.744 3.739 ( 0.000 -10.887 6.624) 12.744 3.870 ( 0.000 2.849 -8.436) 8.904 3.870 ( 0.000 2.849 8.436) 8.904 3.975 ( 0.000 -5.129 -4.537) 6.848 3.975 ( 0.000 -5.129 4.537) 6.848 4.051 ( 0.000 3.382 -15.034) 15.410 4.051 ( 0.000 3.382 15.034) 15.410 4.175 ( 0.000 5.597 -10.525) 11.921 4.175 ( 0.000 5.597 10.525) 11.921 4.335 ( 0.000 -8.951 -9.877) 13.329 4.335 ( 0.000 -8.951 9.877) 13.329 4.574 ( 0.000 -4.376 -2.354) 4.969 4.574 ( 0.000 -4.376 2.354) 4.969 4.575 ( 0.000 -1.463 -3.832) 4.102 4.575 ( 0.000 -1.463 3.832) 4.102 4.610 ( 0.000 -6.492 -4.562) 7.935 4.610 ( 0.000 -6.492 4.562) 7.935 4.775 ( 0.000 -6.770 -3.018) 7.412 4.775 ( 0.000 -6.770 3.018) 7.412 4.902 ( 0.000 9.661 -5.164) 10.955 4.902 ( 0.000 9.661 5.164) 10.955 5.045 ( 0.000 2.544 -10.397) 10.704 5.045 ( 0.000 2.544 10.397) 10.704 5.145 ( 0.000 -3.791 -7.993) 8.847 5.145 ( 0.000 -3.791 7.993) 8.847 5.274 ( 0.000 -9.131 -2.007) 9.349 5.274 ( 0.000 -9.131 2.007) 9.349 5.314 ( 0.000 3.578 -2.139) 4.169 5.314 ( 0.000 3.578 2.139) 4.169 5.470 ( 0.000 3.585 -10.674) 11.260 5.470 ( 0.000 3.585 10.674) 11.260 5.523 ( 0.000 3.269 -6.350) 7.142 5.523 ( 0.000 3.269 6.350) 7.142 5.707 ( 0.000 4.108 -6.909) 8.038 5.707 ( 0.000 4.108 6.909) 8.038 5.819 ( 0.000 -6.669 -7.555) 10.077 5.819 ( 0.000 -6.669 7.555) 10.077 6.037 ( 0.000 -8.500 -8.079) 11.727 6.037 ( 0.000 -8.500 8.079) 11.727 6.050 ( 0.000 -5.455 -10.652) 11.967 6.050 ( 0.000 -5.455 10.652) 11.967 6.493 ( 0.000 5.019 -4.309) 6.615 6.493 ( 0.000 5.019 4.309) 6.615 6.563 ( 0.000 -2.000 -8.304) 8.541 6.563 ( 0.000 -2.000 8.304) 8.541 6.678 ( 0.000 5.940 -12.137) 13.512 6.678 ( 0.000 5.940 12.137) 13.512 6.893 ( 0.000 -4.861 -15.872) 16.599 6.893 ( 0.000 -4.861 15.872) 16.599 8.675 ( 0.000 0.039 -1.203) 1.203 8.675 ( 0.000 0.039 1.203) 1.203 8.704 ( 0.000 -1.673 -5.345) 5.600 8.704 ( 0.000 -1.673 5.345) 5.600 8.978 ( 0.000 5.521 -7.731) 9.500 8.978 ( 0.000 5.521 7.731) 9.500 9.019 ( 0.000 0.874 -5.923) 5.987 9.019 ( 0.000 0.874 5.923) 5.987 9.202 ( 0.000 1.027 -5.705) 5.797 9.202 ( 0.000 1.027 5.705) 5.797 9.231 ( 0.000 -0.073 -4.105) 4.105 9.231 ( 0.000 -0.073 4.105) 4.105 9.521 ( 0.000 2.090 -4.270) 4.754 9.521 ( 0.000 2.090 4.270) 4.754 9.534 ( 0.000 3.620 -5.223) 6.355 9.534 ( 0.000 3.620 5.223) 6.355 9.710 ( 0.000 -2.684 -6.051) 6.619 9.710 ( 0.000 -2.684 6.051) 6.619 9.838 ( 0.000 -4.189 -6.309) 7.573 9.838 ( 0.000 -4.189 6.309) 7.573 9.878 ( 0.000 5.403 -7.977) 9.634 9.878 ( 0.000 5.403 7.977) 9.634 10.237 ( 0.000 -6.816 -6.920) 9.713 10.237 ( 0.000 -6.816 6.920) 9.713 10.584 ( 0.000 0.873 -6.416) 6.475 10.584 ( 0.000 0.873 6.416) 6.475 10.631 ( 0.000 0.910 -8.478) 8.526 10.631 ( 0.000 0.910 8.478) 8.526 11.015 ( 0.000 8.926 -1.835) 9.113 11.015 ( 0.000 8.926 1.835) 9.113 11.065 ( 0.000 4.379 -1.386) 4.593 11.065 ( 0.000 4.379 1.386) 4.593 11.457 ( 0.000 -4.353 -3.790) 5.772 11.457 ( 0.000 -4.353 3.790) 5.772 11.523 ( 0.000 7.771 -12.879) 15.042 11.523 ( 0.000 7.771 12.879) 15.042 11.661 ( 0.000 -9.465 -7.062) 11.810 11.661 ( 0.000 -9.465 7.062) 11.810 11.881 ( 0.000 -4.085 -13.576) 14.178 11.881 ( 0.000 -4.085 13.576) 14.178 12.909 ( 0.000 -0.643 -3.223) 3.287 12.909 ( 0.000 -0.643 3.223) 3.287 12.933 ( 0.000 -0.076 -1.769) 1.771 12.933 ( 0.000 -0.076 1.769) 1.771 13.126 ( 0.000 -3.085 -1.632) 3.490 13.126 ( 0.000 -3.085 1.632) 3.490 13.170 ( 0.000 -1.152 -4.661) 4.801 13.170 ( 0.000 -1.152 4.661) 4.801 13.318 ( 0.000 0.159 -1.762) 1.770 13.318 ( 0.000 0.159 1.762) 1.770 13.380 ( 0.000 -1.269 -5.065) 5.222 13.380 ( 0.000 -1.269 5.065) 5.222 13.509 ( 0.000 2.912 -1.197) 3.149 13.509 ( 0.000 2.912 1.197) 3.149 13.664 ( 0.000 -4.018 -4.268) 5.862 13.664 ( 0.000 -4.018 4.268) 5.862 13.841 ( 0.000 2.193 -2.361) 3.222 13.841 ( 0.000 2.193 2.361) 3.222 13.894 ( 0.000 -1.150 -4.257) 4.409 13.894 ( 0.000 -1.150 4.257) 4.409 14.054 ( 0.000 0.987 -3.363) 3.505 14.054 ( 0.000 0.987 3.363) 3.505 14.084 ( 0.000 -2.304 -1.815) 2.933 14.084 ( 0.000 -2.304 1.815) 2.933 15.456 ( 0.000 1.148 -8.076) 8.157 15.456 ( 0.000 1.148 8.076) 8.157 15.537 ( 0.000 -3.213 -5.593) 6.450 15.537 ( 0.000 -3.213 5.593) 6.450 16.080 ( 0.000 -0.272 -6.636) 6.641 16.080 ( 0.000 -0.272 6.636) 6.641 16.163 ( 0.000 -3.381 -6.770) 7.567 16.163 ( 0.000 -3.381 6.770) 7.567 17.560 ( 0.000 -0.756 -2.572) 2.681 17.560 ( 0.000 -0.756 2.572) 2.681 17.565 ( 0.000 -0.686 -1.370) 1.533 17.565 ( 0.000 -0.686 1.370) 1.533 17.682 ( 0.000 0.965 -0.937) 1.345 17.682 ( 0.000 0.965 0.937) 1.345 17.728 ( 0.000 -1.127 -2.537) 2.776 17.728 ( 0.000 -1.127 2.537) 2.776 17.936 ( 0.000 0.600 -2.384) 2.458 17.936 ( 0.000 0.600 2.384) 2.458 17.969 ( 0.000 -0.817 -1.824) 1.998 17.969 ( 0.000 -0.817 1.824) 1.998 18.103 ( 0.000 1.380 -2.567) 2.915 18.103 ( 0.000 1.380 2.567) 2.915 18.165 ( 0.000 -1.512 -4.989) 5.213 18.165 ( 0.000 -1.512 4.989) 5.213 18.583 ( 0.000 1.265 -6.201) 6.329 18.583 ( 0.000 1.265 6.201) 6.329 18.623 ( 0.000 -0.891 -10.089) 10.128 18.623 ( 0.000 -0.891 10.089) 10.128 18.973 ( 0.000 2.276 -3.197) 3.924 18.973 ( 0.000 2.276 3.197) 3.924 18.984 ( 0.000 2.506 -5.928) 6.436 18.984 ( 0.000 2.506 5.928) 6.436 19.405 ( 0.000 0.076 -1.774) 1.775 19.405 ( 0.000 0.076 1.774) 1.775 19.413 ( 0.000 0.089 -3.141) 3.142 19.413 ( 0.000 0.089 3.141) 3.142 19.558 ( 0.000 -1.733 -3.309) 3.735 19.558 ( 0.000 -1.733 3.309) 3.735 19.587 ( 0.000 -2.790 -2.636) 3.838 19.587 ( 0.000 -2.790 2.636) 3.838 20.046 ( 0.000 3.535 -2.444) 4.297 20.046 ( 0.000 3.535 2.444) 4.297 20.145 ( 0.000 -1.165 -2.249) 2.532 20.145 ( 0.000 -1.165 2.249) 2.532 29.768 ( 0.000 -0.062 -3.071) 3.072 29.768 ( 0.000 -0.062 3.071) 3.072 29.791 ( 0.000 -1.545 -1.191) 1.951 29.791 ( 0.000 -1.545 1.191) 1.951 29.867 ( 0.000 0.458 -0.870) 0.983 29.867 ( 0.000 0.458 0.870) 0.983 29.906 ( 0.000 -0.983 -2.434) 2.625 29.906 ( 0.000 -0.983 2.434) 2.625 30.694 ( 0.000 1.081 -1.439) 1.799 30.694 ( 0.000 1.081 1.439) 1.799 30.713 ( 0.000 0.376 -1.407) 1.456 30.713 ( 0.000 0.376 1.407) 1.456 31.817 ( 0.000 6.150 -2.394) 6.599 31.817 ( 0.000 6.150 2.394) 6.599 31.883 ( 0.000 5.385 -2.296) 5.854 31.883 ( 0.000 5.385 2.296) 5.854 32.116 ( 0.000 4.365 -6.242) 7.616 32.116 ( 0.000 4.365 6.242) 7.616 32.165 ( 0.000 -0.703 -7.361) 7.395 32.165 ( 0.000 -0.703 7.361) 7.395 32.362 ( 0.000 0.898 -9.554) 9.596 32.362 ( 0.000 0.898 9.554) 9.596 32.404 ( 0.000 -2.831 -7.229) 7.763 32.404 ( 0.000 -2.831 7.229) 7.763 32.816 ( 0.000 10.340 -8.690) 13.507 32.816 ( 0.000 10.340 8.690) 13.507 33.119 ( 0.000 3.856 -5.145) 6.429 33.119 ( 0.000 3.856 5.145) 6.429 33.417 ( 0.000 -8.721 -6.654) 10.970 33.417 ( 0.000 -8.721 6.654) 10.970 33.464 ( 0.000 -14.727 -7.069) 16.335 33.464 ( 0.000 -14.727 7.069) 16.335 34.803 ( 0.000 13.413 -15.774) 20.706 34.803 ( 0.000 13.413 15.774) 20.706 34.923 ( 0.000 5.343 -10.906) 12.144 34.923 ( 0.000 5.343 10.906) 12.144 35.354 ( 0.000 0.567 -4.497) 4.533 35.354 ( 0.000 0.567 4.497) 4.533 35.378 ( 0.000 -2.173 -2.435) 3.264 35.378 ( 0.000 -2.173 2.435) 3.264 35.957 ( 0.000 -4.030 -5.926) 7.166 35.957 ( 0.000 -4.030 5.926) 7.166 35.999 ( 0.000 -5.976 -7.446) 9.548 35.999 ( 0.000 -5.976 7.446) 9.548 36.866 ( 0.000 6.863 -9.129) 11.421 36.866 ( 0.000 6.863 9.129) 11.421 37.305 ( 0.000 -13.643 -11.431) 17.799 37.305 ( 0.000 -13.643 11.431) 17.799 ======================= Grid point 127 (44/48) ======================= q-point: ( 0.25 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 7.278 7.491 -8.706) 13.597 1.953 ( 7.278 7.491 8.706) 13.597 2.152 ( -3.463 4.334 -3.766) 6.705 2.152 ( -3.463 4.334 3.766) 6.705 2.356 ( 5.155 5.628 -1.061) 7.706 2.356 ( 5.155 5.628 1.061) 7.706 2.487 ( 10.994 4.445 -6.570) 13.557 2.487 ( 10.994 4.445 6.570) 13.557 2.604 ( -0.202 6.633 -5.494) 8.615 2.604 ( -0.202 6.633 5.494) 8.615 2.760 ( -0.853 0.624 -4.545) 4.666 2.760 ( -0.853 0.624 4.545) 4.666 3.027 ( -0.759 7.712 -3.278) 8.414 3.027 ( -0.759 7.712 3.278) 8.414 3.093 ( 11.839 7.458 -6.833) 15.571 3.093 ( 11.839 7.458 6.833) 15.571 3.258 ( 1.397 10.240 -9.298) 13.902 3.258 ( 1.397 10.240 9.298) 13.902 3.360 ( 0.904 -0.815 -5.649) 5.779 3.360 ( 0.904 -0.815 5.649) 5.779 3.521 ( -7.356 2.846 -4.773) 9.219 3.521 ( -7.356 2.846 4.773) 9.219 3.801 ( -3.840 3.789 -8.093) 9.726 3.801 ( -3.840 3.789 8.093) 9.726 3.863 ( 1.019 0.073 -3.866) 3.999 3.863 ( 1.019 0.073 3.866) 3.999 3.922 ( -0.276 -7.000 -6.204) 9.357 3.922 ( -0.276 -7.000 6.204) 9.357 4.080 ( 1.607 -0.612 -8.354) 8.530 4.080 ( 1.607 -0.612 8.354) 8.530 4.230 ( 0.282 6.565 -0.486) 6.589 4.230 ( 0.282 6.565 0.486) 6.589 4.319 ( -2.519 -10.375 -3.611) 11.270 4.319 ( -2.519 -10.375 3.611) 11.270 4.433 ( -4.951 -2.962 -7.965) 9.835 4.433 ( -4.951 -2.962 7.965) 9.835 4.486 ( -7.256 -2.861 -2.142) 8.089 4.486 ( -7.256 -2.861 2.142) 8.089 4.618 ( -2.829 -5.785 -2.081) 6.768 4.618 ( -2.829 -5.785 2.081) 6.768 4.816 ( 3.992 -1.124 -3.201) 5.239 4.816 ( 3.992 -1.124 3.201) 5.239 4.952 ( -0.618 8.959 -12.322) 15.247 4.952 ( -0.618 8.959 12.322) 15.247 5.046 ( 4.752 -2.336 -2.712) 5.949 5.046 ( 4.752 -2.336 2.712) 5.949 5.184 ( 2.147 -4.750 -7.032) 8.754 5.184 ( 2.147 -4.750 7.032) 8.754 5.263 ( 2.148 -4.735 -0.777) 5.257 5.263 ( 2.148 -4.735 0.777) 5.257 5.412 ( 3.156 -4.547 -1.255) 5.675 5.412 ( 3.156 -4.547 1.255) 5.675 5.453 ( 1.425 6.828 -2.857) 7.538 5.453 ( 1.425 6.828 2.857) 7.538 5.552 ( -0.556 2.883 -7.745) 8.283 5.552 ( -0.556 2.883 7.745) 8.283 5.651 ( -1.874 4.722 -2.670) 5.739 5.651 ( -1.874 4.722 2.670) 5.739 5.806 ( -3.866 -1.658 -4.791) 6.376 5.806 ( -3.866 -1.658 4.791) 6.376 5.907 ( -3.365 -5.542 -2.583) 6.979 5.907 ( -3.365 -5.542 2.583) 6.979 6.086 ( -3.555 -7.680 -7.226) 11.128 6.086 ( -3.555 -7.680 7.226) 11.128 6.441 ( -0.871 0.757 -9.307) 9.379 6.441 ( -0.871 0.757 9.307) 9.379 6.578 ( -3.402 -0.054 -13.805) 14.218 6.578 ( -3.402 -0.054 13.805) 14.218 6.690 ( 4.503 2.177 -6.283) 8.031 6.690 ( 4.503 2.177 6.283) 8.031 6.885 ( -1.605 -2.563 -13.774) 14.102 6.885 ( -1.605 -2.563 13.774) 14.102 8.709 ( 2.722 -0.110 -0.445) 2.760 8.709 ( 2.722 -0.110 0.445) 2.760 8.729 ( 2.371 -1.181 -5.057) 5.709 8.729 ( 2.371 -1.181 5.057) 5.709 8.919 ( -3.882 3.904 -7.547) 9.342 8.919 ( -3.882 3.904 7.547) 9.342 8.975 ( -4.066 0.187 -6.600) 7.754 8.975 ( -4.066 0.187 6.600) 7.754 9.194 ( 2.565 -0.155 -4.696) 5.353 9.194 ( 2.565 -0.155 4.696) 5.353 9.344 ( 3.281 4.124 -2.050) 5.655 9.344 ( 3.281 4.124 2.050) 5.655 9.477 ( -0.268 0.205 -2.120) 2.147 9.477 ( -0.268 0.205 2.120) 2.147 9.598 ( 0.839 0.239 -1.888) 2.080 9.598 ( 0.839 0.239 1.888) 2.080 9.657 ( -0.464 -2.100 -3.891) 4.446 9.657 ( -0.464 -2.100 3.891) 4.446 9.790 ( -2.318 0.107 -6.212) 6.632 9.790 ( -2.318 0.107 6.212) 6.632 9.976 ( 5.862 1.573 -7.625) 9.746 9.976 ( 5.862 1.573 7.625) 9.746 10.217 ( -2.965 -6.207 -7.664) 10.298 10.217 ( -2.965 -6.207 7.664) 10.298 10.564 ( 0.466 3.090 -6.643) 7.341 10.564 ( 0.466 3.090 6.643) 7.341 10.653 ( 0.245 3.607 -4.127) 5.487 10.653 ( 0.245 3.607 4.127) 5.487 11.010 ( -0.440 7.808 -2.171) 8.117 11.010 ( -0.440 7.808 2.171) 8.117 11.049 ( -1.788 6.666 -4.027) 7.991 11.049 ( -1.789 6.666 4.027) 7.991 11.434 ( 1.817 -3.846 -1.342) 4.460 11.434 ( 1.817 -3.846 1.342) 4.460 11.590 ( 0.703 -0.594 -4.023) 4.126 11.590 ( 0.703 -0.594 4.023) 4.126 11.675 ( 2.994 -6.632 -10.469) 12.750 11.675 ( 2.994 -6.632 10.469) 12.750 11.845 ( -3.271 -3.881 -12.196) 13.210 11.845 ( -3.271 -3.881 12.196) 13.210 12.911 ( 0.383 -1.099 -2.473) 2.733 12.911 ( 0.383 -1.099 2.473) 2.733 12.934 ( -0.059 0.245 -1.938) 1.954 12.934 ( -0.059 0.245 1.938) 1.954 13.123 ( 0.030 -2.607 -1.999) 3.286 13.123 ( 0.030 -2.607 1.999) 3.286 13.164 ( -0.843 -1.496 -4.463) 4.782 13.164 ( -0.843 -1.496 4.463) 4.782 13.306 ( -0.598 -0.313 -3.278) 3.347 13.306 ( -0.598 -0.313 3.278) 3.347 13.355 ( -2.084 -1.194 -4.805) 5.372 13.355 ( -2.084 -1.194 4.805) 5.372 13.538 ( 2.730 2.997 -1.787) 4.430 13.538 ( 2.730 2.997 1.787) 4.430 13.661 ( -0.894 -2.289 -4.168) 4.838 13.661 ( -0.894 -2.289 4.168) 4.838 13.808 ( -1.629 1.102 -3.016) 3.600 13.808 ( -1.629 1.102 3.016) 3.600 13.864 ( -2.474 -1.486 -2.675) 3.935 13.864 ( -2.474 -1.486 2.675) 3.935 14.081 ( 2.331 0.908 -0.359) 2.528 14.081 ( 2.331 0.908 0.359) 2.528 14.117 ( 1.659 -1.210 -1.609) 2.608 14.117 ( 1.659 -1.210 1.609) 2.608 15.477 ( 1.860 0.477 -7.456) 7.699 15.477 ( 1.860 0.477 7.456) 7.699 15.536 ( -0.291 -2.629 -5.605) 6.198 15.536 ( -0.291 -2.629 5.605) 6.198 16.078 ( 0.129 -0.950 -6.622) 6.691 16.078 ( 0.129 -0.950 6.622) 6.691 16.140 ( -2.018 -3.086 -6.549) 7.516 16.140 ( -2.018 -3.086 6.549) 7.516 17.538 ( -1.089 -0.792 -0.276) 1.375 17.538 ( -1.089 -0.792 0.276) 1.375 17.552 ( -1.225 -0.516 -1.852) 2.280 17.552 ( -1.225 -0.516 1.852) 2.280 17.702 ( 1.407 0.162 -1.520) 2.077 17.702 ( 1.407 0.162 1.520) 2.077 17.732 ( 0.089 -0.610 -2.141) 2.228 17.732 ( 0.089 -0.610 2.141) 2.228 17.937 ( 1.070 -0.657 -1.724) 2.133 17.937 ( 1.070 -0.657 1.724) 2.133 17.992 ( 0.680 0.654 -1.274) 1.585 17.992 ( 0.680 0.654 1.274) 1.585 18.105 ( 0.342 0.795 -2.342) 2.497 18.105 ( 0.342 0.795 2.342) 2.497 18.150 ( -1.309 -1.067 -3.954) 4.299 18.150 ( -1.309 -1.067 3.954) 4.299 18.610 ( 2.558 0.240 -3.529) 4.365 18.610 ( 2.558 0.240 3.529) 4.365 18.649 ( 1.654 -0.979 -8.535) 8.748 18.649 ( 1.654 -0.979 8.535) 8.748 18.960 ( -0.473 2.528 -2.333) 3.472 18.960 ( -0.473 2.528 2.333) 3.472 18.987 ( -0.385 2.433 -5.633) 6.148 18.987 ( -0.385 2.433 5.633) 6.148 19.374 ( -0.933 0.419 -0.761) 1.275 19.374 ( -0.933 0.419 0.761) 1.275 19.447 ( -0.154 -1.245 -1.083) 1.657 19.447 ( -0.154 -1.245 1.083) 1.657 19.499 ( -1.975 -0.845 -2.657) 3.417 19.499 ( -1.975 -0.845 2.657) 3.417 19.583 ( -1.437 -1.927 -1.685) 2.936 19.583 ( -1.437 -1.927 1.685) 2.936 20.074 ( 2.257 2.681 -1.532) 3.825 20.074 ( 2.257 2.681 1.532) 3.825 20.141 ( -0.488 -0.384 -1.594) 1.711 20.141 ( -0.488 -0.384 1.594) 1.711 29.771 ( 0.232 -0.145 -3.008) 3.020 29.771 ( 0.232 -0.145 3.008) 3.020 29.786 ( -0.370 -1.010 -1.471) 1.822 29.786 ( -0.370 -1.010 1.471) 1.822 29.875 ( 0.698 -0.023 -1.452) 1.612 29.875 ( 0.698 -0.023 1.452) 1.612 29.902 ( -0.358 -0.915 -2.331) 2.530 29.902 ( -0.358 -0.915 2.331) 2.530 30.697 ( 0.297 1.014 -1.466) 1.807 30.697 ( 0.297 1.014 1.466) 1.807 30.711 ( -0.226 0.534 -1.435) 1.548 30.711 ( -0.226 0.534 1.435) 1.548 31.822 ( 1.000 5.038 -1.489) 5.348 31.822 ( 1.000 5.038 1.489) 5.348 31.893 ( -0.183 6.233 -0.500) 6.255 31.893 ( -0.183 6.233 0.500) 6.255 32.111 ( 0.935 1.602 -7.030) 7.271 32.111 ( 0.935 1.602 7.030) 7.271 32.191 ( 0.860 0.157 -6.615) 6.673 32.191 ( 0.860 0.157 6.615) 6.673 32.333 ( -1.350 1.654 -8.985) 9.236 32.333 ( -1.350 1.654 8.985) 9.236 32.395 ( -1.447 -1.792 -5.972) 6.401 32.395 ( -1.447 -1.792 5.972) 6.401 32.857 ( 4.028 9.885 -7.835) 13.241 32.857 ( 4.028 9.885 7.835) 13.241 33.095 ( -3.603 4.887 -4.687) 7.670 33.095 ( -3.603 4.887 4.687) 7.670 33.375 ( 0.231 -9.035 -5.003) 10.331 33.375 ( 0.231 -9.035 5.003) 10.331 33.497 ( -0.106 -11.821 -7.737) 14.129 33.497 ( -0.106 -11.821 7.737) 14.129 34.707 ( -4.520 10.490 -8.966) 14.521 34.707 ( -4.520 10.490 8.966) 14.521 34.870 ( -6.905 2.449 -6.730) 9.948 34.870 ( -6.905 2.449 6.730) 9.948 35.314 ( -0.666 1.292 -3.074) 3.400 35.314 ( -0.666 1.292 3.074) 3.400 35.369 ( -1.347 1.930 -5.520) 6.001 35.369 ( -1.347 1.930 5.520) 6.001 36.041 ( 5.899 -3.949 -7.234) 10.135 36.041 ( 5.899 -3.949 7.234) 10.135 36.094 ( 6.010 -5.520 -2.962) 8.681 36.094 ( 6.010 -5.520 2.962) 8.681 36.925 ( 5.828 2.856 -5.840) 8.731 36.925 ( 5.828 2.856 5.840) 8.731 37.246 ( -5.642 -11.811 -10.066) 16.512 37.246 ( -5.642 -11.811 10.066) 16.512 ======================= Grid point 129 (45/48) ======================= q-point: (-0.50 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.081 ( -4.141 6.649 -4.530) 9.049 2.081 ( 4.135 6.649 -4.529) 9.045 2.081 ( -4.135 6.649 4.529) 9.045 2.081 ( 4.141 6.649 4.530) 9.049 2.485 ( -5.549 3.289 -2.462) 6.904 2.485 ( 0.304 3.289 -1.628) 3.683 2.485 ( -0.304 3.289 1.628) 3.683 2.485 ( 5.549 3.289 2.462) 6.904 2.720 ( -2.936 1.434 -6.878) 7.615 2.720 ( 2.928 1.434 -6.878) 7.611 2.720 ( -2.928 1.434 6.878) 7.611 2.720 ( 2.936 1.434 6.878) 7.615 3.071 ( -6.568 6.125 -9.878) 13.350 3.071 ( 0.481 6.125 -9.633) 11.426 3.071 ( -0.481 6.125 9.633) 11.426 3.071 ( 6.568 6.125 9.878) 13.350 3.387 ( -5.818 7.625 -4.977) 10.805 3.387 ( 5.113 7.625 -4.890) 10.402 3.387 ( -5.113 7.625 4.890) 10.402 3.387 ( 5.818 7.625 4.977) 10.805 3.572 ( -12.099 7.538 -3.677) 14.722 3.572 ( -8.339 7.538 -2.232) 11.461 3.572 ( 8.339 7.538 2.232) 11.461 3.572 ( 12.099 7.538 3.677) 14.722 3.948 ( -3.930 -1.839 -5.928) 7.347 3.948 ( 3.784 -1.839 -5.918) 7.261 3.948 ( -3.784 -1.839 5.918) 7.261 3.948 ( 3.930 -1.839 5.928) 7.347 4.100 ( -8.521 -10.387 -13.517) 19.058 4.100 ( 8.393 -10.387 -13.508) 18.995 4.100 ( -8.393 -10.387 13.508) 18.995 4.100 ( 8.521 -10.387 13.517) 19.058 4.322 ( -5.447 3.169 -4.745) 7.888 4.322 ( 1.909 3.169 -4.430) 5.772 4.322 ( -1.909 3.169 4.430) 5.772 4.322 ( 5.447 3.169 4.745) 7.888 4.513 ( -5.756 -4.624 -0.745) 7.421 4.513 ( -5.312 -4.624 -0.097) 7.043 4.513 ( 5.312 -4.624 0.097) 7.043 4.513 ( 5.756 -4.624 0.745) 7.421 4.903 ( -3.447 2.034 -8.511) 9.405 4.903 ( 3.435 2.034 -8.511) 9.401 4.903 ( -3.435 2.034 8.511) 9.401 4.903 ( 3.447 2.034 8.511) 9.405 5.163 ( -2.853 -2.055 -5.691) 6.690 5.163 ( 1.366 -2.055 -5.629) 6.146 5.163 ( -1.366 -2.055 5.629) 6.146 5.163 ( 2.853 -2.055 5.691) 6.690 5.364 ( -6.242 -4.229 -2.591) 7.972 5.364 ( 1.938 -4.229 -1.673) 4.944 5.364 ( -1.938 -4.229 1.673) 4.944 5.364 ( 6.242 -4.229 2.591) 7.972 5.507 ( -3.625 3.060 -5.436) 7.215 5.507 ( 3.579 3.060 -5.433) 7.190 5.507 ( -3.579 3.060 5.433) 7.190 5.507 ( 3.625 3.060 5.436) 7.215 5.694 ( -2.439 4.197 -9.248) 10.445 5.694 ( 0.942 4.197 -9.218) 10.172 5.694 ( -0.942 4.197 9.218) 10.172 5.694 ( 2.439 4.197 9.248) 10.445 5.954 ( -6.141 -5.715 -7.975) 11.574 5.954 ( 5.579 -5.715 -7.929) 11.254 5.954 ( -5.579 -5.715 7.929) 11.254 5.954 ( 6.141 -5.715 7.975) 11.574 6.484 ( -4.011 -2.358 -15.157) 15.855 6.484 ( 3.917 -2.358 -15.154) 15.829 6.484 ( -3.917 -2.358 15.154) 15.829 6.484 ( 4.011 -2.358 15.157) 15.855 6.809 ( -5.045 0.300 -12.176) 13.184 6.809 ( 4.651 0.300 -12.159) 13.022 6.809 ( -4.651 0.300 12.159) 13.022 6.809 ( 5.045 0.300 12.176) 13.184 8.760 ( -0.826 -0.295 -2.062) 2.240 8.760 ( 0.525 -0.295 -2.051) 2.137 8.760 ( -0.525 -0.295 2.051) 2.137 8.760 ( 0.826 -0.295 2.062) 2.240 8.890 ( -2.471 1.007 -8.408) 8.822 8.890 ( 2.432 1.007 -8.407) 8.810 8.890 ( -2.432 1.007 8.407) 8.810 8.890 ( 2.471 1.007 8.408) 8.822 9.285 ( -5.333 0.684 -5.487) 7.682 9.285 ( 4.746 0.684 -5.426) 7.241 9.285 ( -4.746 0.684 5.426) 7.241 9.285 ( 5.333 0.684 5.487) 7.682 9.540 ( -3.744 0.476 -3.886) 5.417 9.540 ( 3.320 0.476 -3.843) 5.101 9.540 ( -3.320 0.476 3.843) 5.101 9.540 ( 3.744 0.476 3.886) 5.417 9.731 ( -3.638 -0.257 -5.646) 6.722 9.731 ( 3.306 -0.257 -5.624) 6.528 9.731 ( -3.306 -0.257 5.624) 6.528 9.731 ( 3.638 -0.257 5.646) 6.722 10.107 ( -6.367 -2.314 -8.631) 10.972 10.107 ( 5.773 -2.314 -8.585) 10.601 10.107 ( -5.773 -2.314 8.585) 10.601 10.107 ( 6.367 -2.314 8.631) 10.972 10.617 ( -2.714 5.509 -3.894) 7.272 10.617 ( 1.612 5.509 -3.826) 6.898 10.617 ( -1.612 5.509 3.826) 6.898 10.617 ( 2.714 5.509 3.894) 7.272 11.011 ( -1.027 7.088 -4.519) 8.468 11.011 ( 1.009 7.088 -4.519) 8.466 11.011 ( -1.009 7.088 4.519) 8.466 11.011 ( 1.027 7.088 4.519) 8.468 11.526 ( -5.161 -5.455 -2.595) 7.945 11.526 ( 2.123 -5.455 -2.068) 6.208 11.526 ( -2.123 -5.455 2.068) 6.208 11.526 ( 5.161 -5.455 2.595) 7.945 11.764 ( -3.886 -3.744 -12.810) 13.900 11.764 ( 3.628 -3.744 -12.802) 13.823 11.764 ( -3.628 -3.744 12.802) 13.823 11.764 ( 3.886 -3.744 12.810) 13.900 12.925 ( -0.654 -0.540 -2.303) 2.454 12.925 ( 0.600 -0.540 -2.302) 2.439 12.925 ( -0.600 -0.540 2.302) 2.439 12.925 ( 0.654 -0.540 2.303) 2.454 13.138 ( -1.320 -1.885 -3.211) 3.950 13.138 ( 1.311 -1.885 -3.210) 3.947 13.138 ( -1.311 -1.885 3.210) 3.947 13.138 ( 1.320 -1.885 3.211) 3.950 13.314 ( -1.293 -0.940 -4.871) 5.126 13.314 ( 1.231 -0.940 -4.869) 5.109 13.314 ( -1.231 -0.940 4.869) 5.109 13.314 ( 1.293 -0.940 4.871) 5.126 13.609 ( -3.593 1.784 -2.674) 4.821 13.609 ( 3.001 1.784 -2.591) 4.348 13.609 ( -3.001 1.784 2.591) 4.348 13.609 ( 3.593 1.784 2.674) 4.821 13.814 ( -0.651 -1.371 -3.619) 3.925 13.814 ( 0.007 -1.371 -3.613) 3.864 13.814 ( -0.007 -1.371 3.613) 3.864 13.814 ( 0.651 -1.371 3.619) 3.925 14.123 ( -0.847 0.225 -2.410) 2.564 14.123 ( 0.638 0.225 -2.402) 2.496 14.123 ( -0.638 0.225 2.402) 2.496 14.123 ( 0.847 0.225 2.410) 2.564 15.517 ( -1.629 -1.108 -6.225) 6.529 15.517 ( 1.629 -1.108 -6.225) 6.529 15.517 ( -1.629 -1.108 6.225) 6.529 15.517 ( 1.629 -1.108 6.225) 6.529 16.097 ( -1.715 -2.210 -6.450) 7.031 16.097 ( 1.714 -2.210 -6.450) 7.030 16.097 ( -1.714 -2.210 6.450) 7.030 16.097 ( 1.715 -2.210 6.450) 7.031 17.531 ( -0.479 -0.655 -1.180) 1.432 17.531 ( 0.450 -0.655 -1.179) 1.421 17.531 ( -0.450 -0.655 1.179) 1.421 17.531 ( 0.479 -0.655 1.180) 1.432 17.725 ( -0.499 -0.420 -3.209) 3.274 17.725 ( 0.419 -0.420 -3.208) 3.262 17.725 ( -0.419 -0.420 3.208) 3.262 17.725 ( 0.499 -0.420 3.209) 3.274 17.975 ( -1.830 0.090 -0.829) 2.011 17.975 ( 0.076 0.090 -0.562) 0.574 17.975 ( -0.076 0.090 0.562) 0.574 17.975 ( 1.830 0.090 0.829) 2.011 18.122 ( -1.221 -0.070 -2.272) 2.581 18.122 ( 1.220 -0.070 -2.272) 2.580 18.122 ( -1.220 -0.070 2.272) 2.580 18.122 ( 1.221 -0.070 2.272) 2.581 18.658 ( -1.165 -0.994 -4.718) 4.960 18.658 ( 1.145 -0.994 -4.717) 4.955 18.658 ( -1.145 -0.994 4.717) 4.955 18.658 ( 1.165 -0.994 4.718) 4.960 18.967 ( -1.041 2.639 -4.777) 5.556 18.967 ( 1.024 2.639 -4.776) 5.552 18.967 ( -1.024 2.639 4.776) 5.552 18.967 ( 1.041 2.639 4.777) 5.556 19.387 ( -1.826 -0.351 -2.121) 2.821 19.387 ( 0.462 -0.351 -2.038) 2.119 19.387 ( -0.462 -0.351 2.038) 2.119 19.387 ( 1.826 -0.351 2.121) 2.821 19.535 ( -2.744 -1.134 -2.411) 3.825 19.535 ( 2.423 -1.134 -2.373) 3.575 19.535 ( -2.423 -1.134 2.373) 3.575 19.535 ( 2.744 -1.134 2.411) 3.825 20.119 ( -1.517 1.177 -0.306) 1.945 20.119 ( -1.304 1.177 -0.164) 1.764 20.119 ( 1.304 1.177 0.164) 1.764 20.119 ( 1.517 1.177 0.306) 1.945 29.778 ( -0.357 -0.391 -2.950) 2.997 29.778 ( 0.346 -0.391 -2.950) 2.996 29.778 ( -0.346 -0.391 2.950) 2.996 29.778 ( 0.357 -0.391 2.950) 2.997 29.891 ( -0.578 -0.636 -2.854) 2.981 29.891 ( 0.515 -0.636 -2.853) 2.968 29.891 ( -0.515 -0.636 2.853) 2.968 29.891 ( 0.578 -0.636 2.854) 2.981 30.705 ( -0.371 0.818 -1.482) 1.733 30.705 ( 0.370 0.818 -1.482) 1.733 30.705 ( -0.370 0.818 1.482) 1.733 30.705 ( 0.371 0.818 1.482) 1.733 31.861 ( -1.585 5.157 -0.935) 5.476 31.861 ( -1.151 5.157 -0.861) 5.354 31.861 ( 1.151 5.157 0.861) 5.354 31.861 ( 1.585 5.157 0.935) 5.476 32.161 ( -2.852 0.348 -8.044) 8.542 32.161 ( 2.701 0.348 -8.038) 8.487 32.161 ( -2.701 0.348 8.038) 8.487 32.161 ( 2.852 0.348 8.044) 8.542 32.349 ( -1.940 0.825 -9.482) 9.714 32.349 ( 1.774 0.825 -9.479) 9.679 32.349 ( -1.774 0.825 9.479) 9.679 32.349 ( 1.940 0.825 9.482) 9.714 32.974 ( -6.355 7.470 -7.426) 12.302 32.974 ( 5.401 7.470 -7.342) 11.784 32.974 ( -5.401 7.470 7.342) 11.784 32.974 ( 6.355 7.470 7.426) 12.302 33.441 ( -4.474 -8.674 -7.577) 12.356 33.441 ( 4.471 -8.674 -7.577) 12.355 33.441 ( -4.471 -8.674 7.577) 12.355 33.441 ( 4.474 -8.674 7.577) 12.356 34.716 ( -4.525 4.146 -9.024) 10.913 34.716 ( 3.576 4.146 -8.977) 10.515 34.716 ( -3.576 4.146 8.977) 10.515 34.716 ( 4.525 4.146 9.024) 10.913 35.334 ( -1.778 2.684 -5.224) 6.136 35.334 ( 1.762 2.684 -5.223) 6.131 35.334 ( -1.762 2.684 5.223) 6.131 35.334 ( 1.778 2.684 5.224) 6.136 36.137 ( -2.099 -3.670 -5.010) 6.555 36.137 ( 2.049 -3.670 -5.008) 6.538 36.137 ( -2.049 -3.670 5.008) 6.538 36.137 ( 2.099 -3.670 5.010) 6.555 37.088 ( -8.777 -5.935 -5.922) 12.138 37.088 ( 7.727 -5.935 -5.758) 11.317 37.088 ( -7.727 -5.935 5.758) 11.317 37.088 ( 8.777 -5.935 5.922) 12.138 ======================= Grid point 135 (46/48) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 0.000 -9.152 -5.155) 10.504 2.077 ( 0.000 -9.152 5.155) 10.504 2.077 ( 0.000 9.152 -5.155) 10.504 2.077 ( 0.000 9.152 5.155) 10.504 2.386 ( 0.000 -0.375 -8.572) 8.580 2.386 ( 0.000 0.375 -8.572) 8.580 2.386 ( 0.000 -0.375 8.572) 8.580 2.386 ( 0.000 0.375 8.572) 8.580 2.779 ( 0.000 -3.874 -4.857) 6.213 2.779 ( 0.000 3.874 -4.857) 6.213 2.779 ( 0.000 -3.874 4.857) 6.213 2.779 ( 0.000 3.874 4.857) 6.213 3.012 ( 0.000 -0.041 -7.994) 7.994 3.012 ( 0.000 0.041 -7.994) 7.994 3.012 ( 0.000 -0.041 7.994) 7.994 3.012 ( 0.000 0.041 7.994) 7.994 3.405 ( 0.000 -7.845 -8.216) 11.360 3.405 ( 0.000 7.845 -8.216) 11.360 3.405 ( 0.000 -7.845 8.216) 11.360 3.405 ( 0.000 7.845 8.216) 11.360 3.708 ( 0.000 -10.242 -10.762) 14.856 3.708 ( 0.000 10.242 -10.762) 14.856 3.708 ( 0.000 -10.242 10.762) 14.856 3.708 ( 0.000 10.242 10.762) 14.856 3.867 ( 0.000 -5.353 -2.941) 6.108 3.867 ( 0.000 -5.353 2.941) 6.108 3.867 ( 0.000 5.353 -2.941) 6.108 3.867 ( 0.000 5.353 2.941) 6.108 4.114 ( 0.000 -3.456 -4.012) 5.295 4.114 ( 0.000 3.456 -4.012) 5.295 4.114 ( 0.000 -3.456 4.012) 5.295 4.114 ( 0.000 3.456 4.012) 5.295 4.424 ( 0.000 -9.088 -4.657) 10.212 4.424 ( 0.000 -9.088 4.657) 10.212 4.424 ( 0.000 9.088 -4.657) 10.212 4.424 ( 0.000 9.088 4.657) 10.212 4.557 ( 0.000 -1.625 -1.821) 2.441 4.557 ( 0.000 1.625 -1.821) 2.441 4.557 ( 0.000 -1.625 1.821) 2.441 4.557 ( 0.000 1.625 1.821) 2.441 4.819 ( 0.000 -12.797 -6.535) 14.369 4.819 ( 0.000 -12.797 6.535) 14.369 4.819 ( 0.000 12.797 -6.535) 14.369 4.819 ( 0.000 12.797 6.535) 14.369 5.098 ( 0.000 -7.299 -5.249) 8.990 5.098 ( 0.000 7.299 -5.249) 8.990 5.098 ( 0.000 -7.299 5.249) 8.990 5.098 ( 0.000 7.299 5.249) 8.990 5.285 ( 0.000 -5.874 -4.770) 7.567 5.285 ( 0.000 5.874 -4.770) 7.567 5.285 ( 0.000 -5.874 4.770) 7.567 5.285 ( 0.000 5.874 4.770) 7.567 5.544 ( 0.000 -0.001 -9.670) 9.670 5.544 ( 0.000 0.001 -9.670) 9.670 5.544 ( 0.000 -0.001 9.670) 9.670 5.544 ( 0.000 0.001 9.670) 9.670 5.801 ( 0.000 -0.000 -7.261) 7.261 5.801 ( 0.000 0.000 -7.261) 7.261 5.801 ( 0.000 -0.000 7.261) 7.261 5.801 ( 0.000 0.000 7.261) 7.261 5.916 ( 0.000 -1.236 -3.487) 3.700 5.916 ( 0.000 1.236 -3.487) 3.700 5.916 ( 0.000 -1.236 3.487) 3.700 5.916 ( 0.000 1.236 3.487) 3.700 6.533 ( 0.000 -0.275 -9.938) 9.942 6.533 ( 0.000 0.275 -9.938) 9.942 6.533 ( 0.000 -0.275 9.938) 9.942 6.533 ( 0.000 0.275 9.938) 9.942 6.799 ( 0.000 -4.921 -4.893) 6.940 6.799 ( 0.000 4.921 -4.893) 6.940 6.799 ( 0.000 -4.921 4.893) 6.940 6.799 ( 0.000 4.921 4.893) 6.940 8.681 ( 0.000 -0.691 -3.386) 3.456 8.681 ( 0.000 0.691 -3.386) 3.456 8.681 ( 0.000 -0.691 3.386) 3.456 8.681 ( 0.000 0.691 3.386) 3.456 9.030 ( 0.000 -0.238 -7.714) 7.717 9.030 ( 0.000 0.238 -7.714) 7.717 9.030 ( 0.000 -0.238 7.714) 7.717 9.030 ( 0.000 0.238 7.714) 7.717 9.217 ( 0.000 -0.269 -3.869) 3.878 9.217 ( 0.000 0.269 -3.869) 3.878 9.217 ( 0.000 -0.269 3.869) 3.878 9.217 ( 0.000 0.269 3.869) 3.878 9.566 ( 0.000 -1.616 -5.149) 5.397 9.566 ( 0.000 1.616 -5.149) 5.397 9.566 ( 0.000 -1.616 5.149) 5.397 9.566 ( 0.000 1.616 5.149) 5.397 9.735 ( 0.000 -4.729 -8.022) 9.312 9.735 ( 0.000 4.729 -8.022) 9.312 9.735 ( 0.000 -4.729 8.022) 9.312 9.735 ( 0.000 4.729 8.022) 9.312 10.047 ( 0.000 -10.784 -9.130) 14.130 10.047 ( 0.000 10.784 -9.130) 14.130 10.047 ( 0.000 -10.784 9.130) 14.130 10.047 ( 0.000 10.784 9.130) 14.130 10.615 ( 0.000 -1.630 -7.539) 7.713 10.615 ( 0.000 1.630 -7.539) 7.713 10.615 ( 0.000 -1.630 7.539) 7.713 10.615 ( 0.000 1.630 7.539) 7.713 11.132 ( 0.000 -0.823 -1.690) 1.880 11.132 ( 0.000 0.823 -1.690) 1.880 11.132 ( 0.000 -0.823 1.690) 1.880 11.132 ( 0.000 0.823 1.690) 1.880 11.447 ( 0.000 -5.689 -6.465) 8.612 11.447 ( 0.000 5.689 -6.465) 8.612 11.447 ( 0.000 -5.689 6.465) 8.612 11.447 ( 0.000 5.689 6.465) 8.612 11.739 ( 0.000 -10.046 -13.496) 16.824 11.739 ( 0.000 10.046 -13.496) 16.824 11.739 ( 0.000 -10.046 13.496) 16.824 11.739 ( 0.000 10.046 13.496) 16.824 12.920 ( 0.000 -1.000 -1.987) 2.224 12.920 ( 0.000 1.000 -1.987) 2.224 12.920 ( 0.000 -1.000 1.987) 2.224 12.920 ( 0.000 1.000 1.987) 2.224 13.120 ( 0.000 -2.236 -2.428) 3.301 13.120 ( 0.000 2.236 -2.428) 3.301 13.120 ( 0.000 -2.236 2.428) 3.301 13.120 ( 0.000 2.236 2.428) 3.301 13.349 ( 0.000 -1.957 -5.050) 5.416 13.349 ( 0.000 1.957 -5.050) 5.416 13.349 ( 0.000 -1.957 5.050) 5.416 13.349 ( 0.000 1.957 5.050) 5.416 13.580 ( 0.000 -4.230 -3.524) 5.506 13.580 ( 0.000 4.230 -3.524) 5.506 13.580 ( 0.000 -4.230 3.524) 5.506 13.580 ( 0.000 4.230 3.524) 5.506 13.874 ( 0.000 -1.119 -3.936) 4.092 13.874 ( 0.000 1.119 -3.936) 4.092 13.874 ( 0.000 -1.119 3.936) 4.092 13.874 ( 0.000 1.119 3.936) 4.092 14.061 ( 0.000 -0.235 -2.432) 2.443 14.061 ( 0.000 0.235 -2.432) 2.443 14.061 ( 0.000 -0.235 2.432) 2.443 14.061 ( 0.000 0.235 2.432) 2.443 15.487 ( 0.000 -2.054 -7.203) 7.490 15.487 ( 0.000 2.054 -7.203) 7.490 15.487 ( 0.000 -2.054 7.203) 7.490 15.487 ( 0.000 2.054 7.203) 7.490 16.103 ( 0.000 -2.412 -6.921) 7.329 16.103 ( 0.000 2.412 -6.921) 7.329 16.103 ( 0.000 -2.412 6.921) 7.329 16.103 ( 0.000 2.412 6.921) 7.329 17.555 ( 0.000 -0.134 -1.986) 1.990 17.555 ( 0.000 0.134 -1.986) 1.990 17.555 ( 0.000 -0.134 1.986) 1.990 17.555 ( 0.000 0.134 1.986) 1.990 17.703 ( 0.000 -1.158 -1.985) 2.299 17.703 ( 0.000 1.158 -1.985) 2.299 17.703 ( 0.000 -1.158 1.985) 2.299 17.703 ( 0.000 1.158 1.985) 2.299 17.952 ( 0.000 -0.527 -1.787) 1.863 17.952 ( 0.000 0.527 -1.787) 1.863 17.952 ( 0.000 -0.527 1.787) 1.863 17.952 ( 0.000 0.527 1.787) 1.863 18.134 ( 0.000 -1.637 -3.900) 4.229 18.134 ( 0.000 1.637 -3.900) 4.229 18.134 ( 0.000 -1.637 3.900) 4.229 18.134 ( 0.000 1.637 3.900) 4.229 18.605 ( 0.000 -0.894 -8.365) 8.413 18.605 ( 0.000 0.894 -8.365) 8.413 18.605 ( 0.000 -0.894 8.365) 8.413 18.605 ( 0.000 0.894 8.365) 8.413 19.004 ( 0.000 -0.402 -4.704) 4.721 19.004 ( 0.000 0.402 -4.704) 4.721 19.004 ( 0.000 -0.402 4.704) 4.721 19.004 ( 0.000 0.402 4.704) 4.721 19.410 ( 0.000 -0.114 -1.193) 1.198 19.410 ( 0.000 0.114 -1.193) 1.198 19.410 ( 0.000 -0.114 1.193) 1.198 19.410 ( 0.000 0.114 1.193) 1.198 19.549 ( 0.000 -0.494 -1.178) 1.277 19.549 ( 0.000 0.494 -1.178) 1.277 19.549 ( 0.000 -0.494 1.178) 1.277 19.549 ( 0.000 0.494 1.178) 1.277 20.108 ( 0.000 -2.606 -2.303) 3.478 20.108 ( 0.000 2.606 -2.303) 3.478 20.108 ( 0.000 -2.606 2.303) 3.478 20.108 ( 0.000 2.606 2.303) 3.478 29.770 ( 0.000 -0.461 -2.524) 2.566 29.770 ( 0.000 0.461 -2.524) 2.566 29.770 ( 0.000 -0.461 2.524) 2.566 29.770 ( 0.000 0.461 2.524) 2.566 29.884 ( 0.000 -1.153 -1.941) 2.258 29.884 ( 0.000 1.153 -1.941) 2.258 29.884 ( 0.000 -1.153 1.941) 2.258 29.884 ( 0.000 1.153 1.941) 2.258 30.711 ( 0.000 -0.572 -1.685) 1.779 30.711 ( 0.000 0.572 -1.685) 1.779 30.711 ( 0.000 -0.572 1.685) 1.779 30.711 ( 0.000 0.572 1.685) 1.779 31.913 ( 0.000 -2.152 -4.542) 5.026 31.913 ( 0.000 2.152 -4.542) 5.026 31.913 ( 0.000 -2.152 4.542) 5.026 31.913 ( 0.000 2.152 4.542) 5.026 32.157 ( 0.000 -0.151 -6.965) 6.967 32.157 ( 0.000 0.151 -6.965) 6.967 32.157 ( 0.000 -0.151 6.965) 6.967 32.157 ( 0.000 0.151 6.965) 6.967 32.371 ( 0.000 -0.420 -10.470) 10.479 32.371 ( 0.000 0.420 -10.470) 10.479 32.371 ( 0.000 -0.420 10.470) 10.479 32.371 ( 0.000 0.420 10.470) 10.479 33.073 ( 0.000 -12.920 -6.627) 14.521 33.073 ( 0.000 -12.920 6.627) 14.521 33.073 ( 0.000 12.920 -6.627) 14.521 33.073 ( 0.000 12.920 6.627) 14.521 33.291 ( 0.000 -2.285 -7.365) 7.711 33.291 ( 0.000 2.285 -7.365) 7.711 33.291 ( 0.000 -2.285 7.365) 7.711 33.291 ( 0.000 2.285 7.365) 7.711 34.968 ( 0.000 -2.422 -16.496) 16.673 34.968 ( 0.000 2.422 -16.496) 16.673 34.968 ( 0.000 -2.422 16.496) 16.673 34.968 ( 0.000 2.422 16.496) 16.673 35.353 ( 0.000 -0.002 -3.373) 3.373 35.353 ( 0.000 0.002 -3.373) 3.373 35.353 ( 0.000 -0.002 3.373) 3.373 35.353 ( 0.000 0.002 3.373) 3.373 35.922 ( 0.000 -0.922 -3.476) 3.597 35.922 ( 0.000 0.922 -3.476) 3.597 35.922 ( 0.000 -0.922 3.476) 3.597 35.922 ( 0.000 0.922 3.476) 3.597 37.050 ( 0.000 -11.765 -9.671) 15.229 37.050 ( 0.000 11.765 -9.671) 15.229 37.050 ( 0.000 -11.765 9.671) 15.229 37.050 ( 0.000 11.765 9.671) 15.229 ======================= Grid point 139 (47/48) ======================= q-point: ( 0.25 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 32 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.074 ( 4.235 0.000 -2.399) 4.868 2.074 ( 4.235 -0.000 2.399) 4.868 2.136 ( 1.304 0.000 -4.926) 5.096 2.136 ( 1.304 0.000 4.926) 5.096 2.441 ( 5.976 -0.000 -5.449) 8.087 2.441 ( 5.976 0.000 5.449) 8.087 2.528 ( 7.484 0.000 -6.100) 9.655 2.528 ( 7.484 0.000 6.100) 9.655 2.708 ( -8.615 0.000 -6.331) 10.691 2.708 ( -8.615 -0.000 6.331) 10.691 2.741 ( 1.723 -0.000 -3.608) 3.998 2.741 ( 1.723 0.000 3.608) 3.998 3.117 ( 10.600 0.000 -9.829) 14.456 3.117 ( 10.600 0.000 9.829) 14.456 3.146 ( 2.422 -0.000 -7.333) 7.722 3.146 ( 2.422 -0.000 7.333) 7.722 3.354 ( 0.176 -0.000 -9.398) 9.399 3.354 ( 0.176 0.000 9.398) 9.399 3.364 ( -0.168 -0.000 -10.963) 10.964 3.364 ( -0.168 0.000 10.963) 10.964 3.658 ( -1.726 0.000 -6.081) 6.322 3.658 ( -1.726 -0.000 6.081) 6.322 3.705 ( 1.411 0.000 -10.633) 10.726 3.705 ( 1.411 0.000 10.633) 10.726 3.878 ( 0.454 0.000 -9.038) 9.050 3.878 ( 0.454 -0.000 9.038) 9.050 3.914 ( 0.090 -0.000 -3.741) 3.742 3.914 ( 0.090 -0.000 3.741) 3.742 4.070 ( -4.838 -0.000 -1.376) 5.030 4.070 ( -4.838 0.000 1.376) 5.030 4.164 ( 2.237 0.000 -7.590) 7.912 4.164 ( 2.237 0.000 7.590) 7.912 4.357 ( -9.224 0.000 -7.765) 12.058 4.357 ( -9.224 0.000 7.765) 12.058 4.413 ( 0.425 0.000 -0.590) 0.727 4.413 ( 0.425 -0.000 0.590) 0.727 4.483 ( -1.227 0.000 -0.461) 1.311 4.483 ( -1.227 -0.000 0.461) 1.311 4.505 ( -5.236 0.000 -1.872) 5.560 4.505 ( -5.236 0.000 1.872) 5.560 4.813 ( 0.622 0.000 -4.889) 4.928 4.813 ( 0.622 0.000 4.889) 4.928 4.837 ( 0.691 0.000 -7.825) 7.855 4.837 ( 0.691 -0.000 7.825) 7.855 5.146 ( 3.128 0.000 -2.754) 4.168 5.146 ( 3.128 -0.000 2.754) 4.168 5.152 ( 4.134 0.000 -8.657) 9.594 5.152 ( 4.134 -0.000 8.657) 9.594 5.298 ( 2.753 -0.000 -5.516) 6.165 5.298 ( 2.753 0.000 5.516) 6.165 5.311 ( 0.876 0.000 -5.593) 5.661 5.311 ( 0.876 -0.000 5.593) 5.661 5.528 ( 1.475 0.000 -2.824) 3.187 5.528 ( 1.475 -0.000 2.824) 3.187 5.619 ( 1.083 0.000 -10.936) 10.990 5.619 ( 1.083 0.000 10.936) 10.990 5.709 ( -3.023 -0.000 -6.649) 7.304 5.709 ( -3.023 0.000 6.649) 7.304 5.764 ( -4.557 0.000 -3.624) 5.822 5.764 ( -4.557 0.000 3.624) 5.822 5.905 ( 0.275 -0.000 -8.541) 8.545 5.905 ( 0.275 -0.000 8.541) 8.545 5.922 ( -1.708 0.000 -6.493) 6.713 5.922 ( -1.708 0.000 6.493) 6.713 6.448 ( -2.841 0.000 -3.725) 4.685 6.448 ( -2.841 0.000 3.725) 4.685 6.575 ( -3.810 0.000 -14.233) 14.734 6.575 ( -3.810 0.000 14.233) 14.734 6.723 ( 1.375 0.000 -9.999) 10.093 6.723 ( 1.375 0.000 9.999) 10.093 6.847 ( 0.108 0.000 -9.294) 9.294 6.847 ( 0.108 0.000 9.294) 9.294 8.706 ( 2.420 0.000 -1.679) 2.946 8.706 ( 2.420 -0.000 1.679) 2.946 8.716 ( 2.840 0.000 -4.293) 5.148 8.716 ( 2.840 0.000 4.293) 5.148 8.962 ( -5.234 -0.000 -4.494) 6.899 8.962 ( -5.234 0.000 4.494) 6.899 8.970 ( -4.192 0.000 -10.224) 11.050 8.970 ( -4.192 -0.000 10.224) 11.050 9.194 ( 2.627 0.000 -6.245) 6.775 9.194 ( 2.627 0.000 6.245) 6.775 9.380 ( 5.574 0.000 -5.194) 7.619 9.380 ( 5.574 0.000 5.194) 7.619 9.508 ( -5.359 0.000 -0.430) 5.376 9.508 ( -5.359 0.000 0.430) 5.376 9.566 ( 0.606 0.000 -3.535) 3.586 9.566 ( 0.606 0.000 3.535) 3.586 9.656 ( 1.735 0.000 -4.454) 4.780 9.656 ( 1.735 0.000 4.454) 4.780 9.786 ( -1.554 0.000 -9.068) 9.200 9.786 ( -1.554 0.000 9.068) 9.200 10.071 ( 0.849 -0.000 -8.566) 8.608 10.071 ( 0.849 0.000 8.566) 8.608 10.071 ( 1.934 0.000 -9.222) 9.423 10.071 ( 1.934 -0.000 9.222) 9.423 10.600 ( 2.219 0.000 -6.333) 6.710 10.600 ( 2.219 0.000 6.333) 6.710 10.683 ( 2.176 0.000 -5.925) 6.311 10.683 ( 2.176 0.000 5.925) 6.311 11.120 ( -1.111 -0.000 -3.752) 3.913 11.120 ( -1.111 0.000 3.752) 3.913 11.134 ( -0.811 0.000 -3.473) 3.566 11.134 ( -0.811 -0.000 3.473) 3.566 11.380 ( -0.161 0.000 -5.866) 5.868 11.380 ( -0.161 -0.000 5.866) 5.868 11.510 ( 0.928 0.000 -2.865) 3.011 11.510 ( 0.928 0.000 2.865) 3.011 11.714 ( -1.370 0.000 -14.633) 14.697 11.714 ( -1.370 -0.000 14.633) 14.697 11.737 ( -0.713 -0.000 -11.840) 11.862 11.737 ( -0.713 0.000 11.840) 11.862 12.904 ( 0.069 0.000 -1.910) 1.911 12.904 ( 0.069 0.000 1.910) 1.911 12.939 ( 0.024 0.000 -0.780) 0.780 12.939 ( 0.024 0.000 0.780) 0.780 13.104 ( 0.006 0.000 -2.523) 2.523 13.104 ( 0.006 -0.000 2.523) 2.523 13.134 ( -0.000 -0.000 -3.683) 3.683 13.134 ( -0.000 0.000 3.683) 3.683 13.317 ( -1.668 -0.000 -4.834) 5.113 13.317 ( -1.668 0.000 4.834) 5.113 13.335 ( -1.755 0.000 -6.277) 6.518 13.335 ( -1.755 0.000 6.277) 6.518 13.597 ( 1.816 -0.000 -4.798) 5.130 13.597 ( 1.816 0.000 4.798) 5.130 13.606 ( 1.730 0.000 -3.273) 3.701 13.606 ( 1.730 -0.000 3.273) 3.701 13.829 ( -2.706 0.000 -6.359) 6.911 13.829 ( -2.706 0.000 6.359) 6.911 13.841 ( -2.831 0.000 -1.574) 3.239 13.841 ( -2.831 0.000 1.574) 3.239 14.094 ( 2.297 0.000 -2.480) 3.380 14.094 ( 2.297 0.000 2.480) 3.380 14.100 ( 2.395 0.000 -2.967) 3.813 14.100 ( 2.395 0.000 2.967) 3.813 15.496 ( 0.738 0.000 -6.508) 6.549 15.496 ( 0.738 0.000 6.508) 6.549 15.497 ( 0.745 -0.000 -7.279) 7.317 15.497 ( 0.745 -0.000 7.279) 7.317 16.081 ( -1.129 0.000 -7.428) 7.513 16.081 ( -1.129 0.000 7.428) 7.513 16.096 ( -1.126 0.000 -6.368) 6.467 16.096 ( -1.126 0.000 6.368) 6.467 17.530 ( -1.063 0.000 -0.179) 1.078 17.530 ( -1.063 0.000 0.179) 1.078 17.547 ( -1.181 0.000 -2.236) 2.528 17.547 ( -1.181 0.000 2.236) 2.528 17.702 ( 0.720 0.000 -3.281) 3.359 17.702 ( 0.720 0.000 3.281) 3.359 17.725 ( 0.501 0.000 -2.567) 2.615 17.725 ( 0.501 0.000 2.567) 2.615 17.930 ( 0.944 0.000 -1.615) 1.871 17.930 ( 0.944 0.000 1.615) 1.871 18.000 ( 0.983 0.000 -1.389) 1.702 18.000 ( 0.983 0.000 1.389) 1.702 18.119 ( -0.577 -0.000 -3.438) 3.486 18.119 ( -0.577 0.000 3.438) 3.486 18.136 ( -0.362 0.000 -3.159) 3.179 18.136 ( -0.362 0.000 3.159) 3.179 18.612 ( 1.725 0.000 -4.231) 4.569 18.612 ( 1.725 0.000 4.231) 4.569 18.638 ( 1.576 0.000 -8.652) 8.794 18.638 ( 1.576 0.000 8.652) 8.794 18.988 ( -0.418 0.000 -3.048) 3.076 18.988 ( -0.418 0.000 3.048) 3.076 19.010 ( -0.294 0.000 -5.798) 5.805 19.010 ( -0.294 0.000 5.798) 5.805 19.380 ( -0.983 0.000 -1.349) 1.669 19.380 ( -0.983 0.000 1.349) 1.669 19.431 ( -1.073 0.000 -3.340) 3.508 19.431 ( -1.073 0.000 3.340) 3.508 19.492 ( -0.898 0.000 -2.731) 2.875 19.492 ( -0.898 0.000 2.731) 2.875 19.563 ( -1.003 0.000 -1.251) 1.604 19.563 ( -1.003 0.000 1.251) 1.604 20.115 ( 0.917 -0.000 -1.467) 1.730 20.115 ( 0.917 0.000 1.467) 1.730 20.124 ( 0.860 0.000 -1.652) 1.863 20.124 ( 0.860 -0.000 1.652) 1.863 29.769 ( 0.090 0.000 -3.220) 3.221 29.769 ( 0.090 0.000 3.220) 3.221 29.774 ( 0.094 0.000 -2.355) 2.357 29.774 ( 0.094 -0.000 2.355) 2.357 29.882 ( 0.025 0.000 -2.461) 2.461 29.882 ( 0.025 0.000 2.461) 2.461 29.887 ( 0.028 -0.000 -2.563) 2.563 29.887 ( 0.028 -0.000 2.563) 2.563 30.711 ( 0.073 0.000 -1.742) 1.743 30.711 ( 0.073 -0.000 1.742) 1.743 30.713 ( 0.074 -0.000 -1.669) 1.671 30.713 ( 0.074 0.000 1.669) 1.671 31.879 ( 0.015 0.000 -3.641) 3.641 31.879 ( 0.015 0.000 3.641) 3.641 31.956 ( -0.111 0.000 -2.167) 2.170 31.956 ( -0.111 -0.000 2.167) 2.170 32.123 ( 0.467 0.000 -10.631) 10.641 32.123 ( 0.467 0.000 10.631) 10.641 32.192 ( 0.405 0.000 -6.849) 6.861 32.192 ( 0.405 0.000 6.849) 6.861 32.360 ( -0.405 -0.000 -7.941) 7.951 32.360 ( -0.405 0.000 7.941) 7.951 32.372 ( -0.338 0.000 -11.941) 11.946 32.372 ( -0.338 -0.000 11.941) 11.946 33.044 ( 0.178 0.000 -6.545) 6.547 33.044 ( 0.178 0.000 6.545) 6.547 33.122 ( -0.079 -0.000 -7.590) 7.590 33.122 ( -0.079 0.000 7.590) 7.590 33.257 ( 1.376 -0.000 -7.967) 8.085 33.257 ( 1.376 0.000 7.967) 8.085 33.338 ( 1.148 0.000 -7.463) 7.551 33.338 ( 1.148 -0.000 7.463) 7.551 34.856 ( -7.469 0.000 -13.406) 15.346 34.856 ( -7.469 0.000 13.406) 15.346 34.860 ( -8.036 -0.000 -13.056) 15.331 34.860 ( -8.036 0.000 13.056) 15.331 35.333 ( 1.018 0.000 -5.101) 5.201 35.333 ( 1.018 0.000 5.101) 5.201 35.389 ( -0.295 0.000 -5.915) 5.922 35.389 ( -0.295 0.000 5.915) 5.922 35.996 ( 6.957 -0.000 -4.698) 8.395 35.996 ( 6.957 0.000 4.698) 8.395 36.032 ( 6.237 0.000 -2.176) 6.606 36.032 ( 6.237 0.000 2.176) 6.606 37.037 ( -0.957 -0.000 -7.047) 7.111 37.037 ( -0.957 0.000 7.047) 7.111 37.038 ( -0.956 0.000 -8.632) 8.685 37.038 ( -0.956 -0.000 8.632) 8.685 ======================= Grid point 143 (48/48) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 1.46e-03 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( -1.053 0.000 -1.149) 1.558 2.157 ( 1.053 0.000 -1.149) 1.558 2.157 ( -1.053 0.000 1.149) 1.558 2.157 ( 1.053 0.000 1.149) 1.558 2.511 ( -3.324 -0.000 -2.974) 4.460 2.511 ( 3.324 0.000 -2.974) 4.460 2.511 ( -3.324 0.000 2.974) 4.460 2.511 ( 3.324 -0.000 2.974) 4.460 2.738 ( -5.356 0.000 -10.542) 11.825 2.738 ( 5.356 0.000 -10.542) 11.825 2.738 ( -5.356 0.000 10.542) 11.825 2.738 ( 5.356 0.000 10.542) 11.825 3.131 ( -2.504 0.000 -8.505) 8.866 3.131 ( 2.504 0.000 -8.505) 8.866 3.131 ( -2.504 0.000 8.505) 8.866 3.131 ( 2.504 0.000 8.505) 8.866 3.461 ( -1.021 0.000 -2.343) 2.555 3.461 ( 1.021 0.000 -2.343) 2.555 3.461 ( -1.021 0.000 2.343) 2.555 3.461 ( 1.021 -0.000 2.343) 2.555 3.712 ( -5.115 0.000 -0.554) 5.145 3.712 ( -5.115 0.000 0.554) 5.145 3.712 ( 5.115 -0.000 -0.554) 5.145 3.712 ( 5.115 0.000 0.554) 5.145 3.894 ( -0.424 0.000 -9.827) 9.836 3.894 ( 0.424 0.000 -9.827) 9.836 3.894 ( -0.424 0.000 9.827) 9.836 3.894 ( 0.424 0.000 9.827) 9.836 3.996 ( -8.817 0.000 -11.762) 14.700 3.996 ( 8.817 -0.000 -11.762) 14.700 3.996 ( -8.817 -0.000 11.762) 14.700 3.996 ( 8.817 0.000 11.762) 14.700 4.364 ( -6.529 0.000 -1.786) 6.768 4.364 ( -6.529 0.000 1.786) 6.768 4.364 ( 6.529 0.000 -1.786) 6.768 4.364 ( 6.529 0.000 1.786) 6.768 4.464 ( -1.959 -0.000 -2.122) 2.888 4.464 ( 1.959 0.000 -2.122) 2.888 4.464 ( -1.959 0.000 2.122) 2.888 4.464 ( 1.959 0.000 2.122) 2.888 4.835 ( -1.048 0.000 -6.470) 6.554 4.835 ( 1.048 0.000 -6.470) 6.554 4.835 ( -1.048 0.000 6.470) 6.554 4.835 ( 1.048 0.000 6.470) 6.554 5.190 ( -0.730 0.000 -2.364) 2.475 5.190 ( 0.730 0.000 -2.364) 2.475 5.190 ( -0.730 0.000 2.364) 2.475 5.190 ( 0.730 0.000 2.364) 2.475 5.345 ( -0.363 0.000 -3.240) 3.260 5.345 ( 0.363 0.000 -3.240) 3.260 5.345 ( -0.363 -0.000 3.240) 3.260 5.345 ( 0.363 0.000 3.240) 3.260 5.552 ( -2.210 -0.000 -4.603) 5.106 5.552 ( 2.210 0.000 -4.603) 5.106 5.552 ( -2.210 0.000 4.603) 5.106 5.552 ( 2.210 0.000 4.603) 5.106 5.722 ( -0.244 -0.000 -10.091) 10.094 5.722 ( 0.244 0.000 -10.091) 10.094 5.722 ( -0.244 0.000 10.091) 10.094 5.722 ( 0.244 0.000 10.091) 10.094 5.893 ( -0.371 -0.000 -5.741) 5.753 5.893 ( 0.371 0.000 -5.741) 5.753 5.893 ( -0.371 0.000 5.742) 5.753 5.893 ( 0.371 0.000 5.741) 5.753 6.458 ( -4.211 0.000 -6.432) 7.688 6.458 ( 4.211 0.000 -6.432) 7.688 6.458 ( -4.211 0.000 6.432) 7.688 6.458 ( 4.211 0.000 6.432) 7.688 6.806 ( -3.947 0.000 -11.674) 12.323 6.806 ( 3.947 0.000 -11.674) 12.323 6.806 ( -3.947 0.000 11.674) 12.323 6.806 ( 3.947 0.000 11.674) 12.323 8.754 ( -0.797 0.000 -0.709) 1.067 8.754 ( 0.797 0.000 -0.709) 1.067 8.754 ( -0.797 0.000 0.709) 1.067 8.754 ( 0.797 0.000 0.709) 1.067 8.900 ( -0.905 0.000 -9.278) 9.322 8.900 ( 0.905 0.000 -9.278) 9.322 8.900 ( -0.905 0.000 9.278) 9.322 8.900 ( 0.905 0.000 9.278) 9.322 9.289 ( -6.594 0.000 -6.328) 9.139 9.289 ( 6.594 0.000 -6.328) 9.139 9.289 ( -6.594 0.000 6.328) 9.139 9.289 ( 6.594 0.000 6.328) 9.139 9.559 ( -2.613 0.000 -3.646) 4.486 9.559 ( 2.613 0.000 -3.646) 4.486 9.559 ( -2.613 0.000 3.646) 4.486 9.559 ( 2.613 0.000 3.646) 4.486 9.719 ( -3.887 0.000 -7.655) 8.585 9.719 ( 3.887 0.000 -7.655) 8.585 9.719 ( -3.887 0.000 7.655) 8.585 9.719 ( 3.887 0.000 7.655) 8.585 10.083 ( -0.496 0.000 -8.638) 8.652 10.083 ( 0.496 0.000 -8.638) 8.652 10.083 ( -0.496 0.000 8.638) 8.652 10.083 ( 0.496 0.000 8.638) 8.652 10.674 ( -3.207 0.000 -2.481) 4.054 10.674 ( 3.207 0.000 -2.481) 4.054 10.674 ( -3.207 0.000 2.481) 4.054 10.674 ( 3.207 0.000 2.481) 4.054 11.105 ( -0.496 -0.000 -5.083) 5.107 11.105 ( 0.496 0.000 -5.083) 5.107 11.105 ( -0.496 0.000 5.083) 5.107 11.105 ( 0.496 0.000 5.083) 5.107 11.456 ( -5.353 0.000 -3.693) 6.504 11.456 ( 5.353 0.000 -3.693) 6.504 11.456 ( -5.353 -0.000 3.693) 6.504 11.456 ( 5.353 0.000 3.693) 6.504 11.713 ( -1.190 0.000 -12.321) 12.379 11.713 ( 1.190 0.000 -12.321) 12.379 11.713 ( -1.190 0.000 12.321) 12.379 11.713 ( 1.190 0.000 12.321) 12.379 12.921 ( -1.294 0.000 -1.135) 1.721 12.921 ( 1.294 0.000 -1.135) 1.721 12.921 ( -1.294 0.000 1.135) 1.721 12.921 ( 1.294 0.000 1.135) 1.721 13.120 ( -1.098 0.000 -4.097) 4.242 13.120 ( 1.098 0.000 -4.097) 4.242 13.120 ( -1.098 0.000 4.097) 4.242 13.120 ( 1.098 0.000 4.097) 4.242 13.304 ( -0.679 0.000 -6.027) 6.065 13.304 ( 0.679 0.000 -6.027) 6.065 13.304 ( -0.679 0.000 6.027) 6.065 13.304 ( 0.679 0.000 6.027) 6.065 13.628 ( -0.284 0.000 -4.377) 4.386 13.628 ( 0.284 -0.000 -4.377) 4.386 13.628 ( -0.284 0.000 4.377) 4.386 13.628 ( 0.284 0.000 4.377) 4.386 13.799 ( -0.388 0.000 -3.796) 3.816 13.799 ( 0.388 0.000 -3.796) 3.816 13.799 ( -0.388 0.000 3.796) 3.816 13.799 ( 0.388 0.000 3.796) 3.816 14.124 ( -0.266 0.000 -2.857) 2.870 14.124 ( 0.266 0.000 -2.857) 2.870 14.124 ( -0.266 0.000 2.857) 2.870 14.124 ( 0.266 0.000 2.857) 2.870 15.506 ( -0.053 0.000 -6.542) 6.542 15.506 ( 0.053 0.000 -6.542) 6.542 15.506 ( -0.053 0.000 6.542) 6.542 15.506 ( 0.053 0.000 6.542) 6.542 16.073 ( -0.558 0.000 -6.842) 6.865 16.073 ( 0.558 0.000 -6.842) 6.865 16.073 ( -0.558 0.000 6.842) 6.865 16.073 ( 0.558 0.000 6.842) 6.865 17.525 ( -0.581 0.000 -1.430) 1.543 17.525 ( 0.581 0.000 -1.430) 1.543 17.525 ( -0.581 0.000 1.430) 1.543 17.525 ( 0.581 0.000 1.430) 1.543 17.720 ( -0.766 0.000 -3.522) 3.604 17.720 ( 0.766 0.000 -3.522) 3.604 17.720 ( -0.766 0.000 3.522) 3.604 17.720 ( 0.766 0.000 3.522) 3.604 17.976 ( -2.640 0.000 -0.924) 2.797 17.976 ( 2.640 0.000 -0.924) 2.797 17.976 ( -2.640 0.000 0.924) 2.797 17.976 ( 2.640 0.000 0.924) 2.797 18.123 ( -0.744 0.000 -2.218) 2.339 18.123 ( 0.744 0.000 -2.218) 2.339 18.123 ( -0.744 0.000 2.218) 2.339 18.123 ( 0.744 0.000 2.218) 2.339 18.648 ( -0.907 0.000 -5.031) 5.112 18.648 ( 0.907 0.000 -5.031) 5.112 18.648 ( -0.907 0.000 5.031) 5.112 18.648 ( 0.907 0.000 5.031) 5.112 18.994 ( -0.908 0.000 -4.416) 4.508 18.994 ( 0.908 0.000 -4.416) 4.508 18.994 ( -0.908 0.000 4.416) 4.508 18.994 ( 0.908 0.000 4.416) 4.508 19.383 ( -1.621 0.000 -2.301) 2.815 19.383 ( 1.621 0.000 -2.301) 2.815 19.383 ( -1.621 0.000 2.301) 2.815 19.383 ( 1.621 0.000 2.301) 2.815 19.524 ( -2.366 0.000 -1.940) 3.060 19.524 ( 2.366 0.000 -1.940) 3.060 19.524 ( -2.366 0.000 1.940) 3.060 19.524 ( 2.366 0.000 1.940) 3.060 20.131 ( -0.311 0.000 -0.258) 0.404 20.131 ( 0.311 0.000 -0.258) 0.404 20.131 ( -0.311 0.000 0.258) 0.404 20.131 ( 0.311 0.000 0.258) 0.404 29.773 ( -0.209 0.000 -3.137) 3.144 29.773 ( 0.209 0.000 -3.137) 3.144 29.773 ( -0.209 0.000 3.137) 3.144 29.773 ( 0.209 0.000 3.137) 3.144 29.885 ( -0.206 0.000 -2.997) 3.004 29.885 ( 0.206 0.000 -2.997) 3.004 29.885 ( -0.206 0.000 2.997) 3.004 29.885 ( 0.206 0.000 2.997) 3.004 30.713 ( -0.087 0.000 -1.724) 1.727 30.713 ( 0.087 0.000 -1.724) 1.727 30.713 ( -0.087 0.000 1.724) 1.727 30.713 ( 0.087 0.000 1.724) 1.727 31.912 ( -2.781 0.000 -1.985) 3.417 31.912 ( 2.781 0.000 -1.985) 3.417 31.912 ( -2.781 0.000 1.985) 3.417 31.912 ( 2.781 -0.000 1.985) 3.417 32.167 ( -2.529 0.000 -10.757) 11.050 32.167 ( 2.529 0.000 -10.757) 11.050 32.167 ( -2.529 0.000 10.757) 11.050 32.167 ( 2.529 0.000 10.757) 11.050 32.361 ( -0.482 0.000 -10.743) 10.754 32.361 ( 0.482 0.000 -10.743) 10.754 32.361 ( -0.482 -0.000 10.743) 10.754 32.361 ( 0.482 0.000 10.743) 10.754 33.077 ( -2.707 0.000 -7.335) 7.818 33.077 ( 2.707 0.000 -7.335) 7.818 33.077 ( -2.707 0.000 7.335) 7.818 33.077 ( 2.707 0.000 7.335) 7.818 33.322 ( -2.809 -0.000 -8.189) 8.658 33.322 ( 2.809 0.000 -8.189) 8.658 33.322 ( -2.809 0.000 8.189) 8.658 33.322 ( 2.809 -0.000 8.189) 8.658 34.762 ( -0.056 0.000 -10.928) 10.928 34.762 ( 0.056 0.000 -10.928) 10.928 34.762 ( -0.056 0.000 10.928) 10.928 34.762 ( 0.056 0.000 10.928) 10.928 35.364 ( -1.625 0.000 -6.541) 6.740 35.364 ( 1.625 0.000 -6.541) 6.740 35.364 ( -1.625 0.000 6.541) 6.740 35.364 ( 1.625 0.000 6.541) 6.740 36.095 ( -1.089 0.000 -2.900) 3.097 36.095 ( 1.089 0.000 -2.900) 3.097 36.095 ( -1.089 0.000 2.900) 3.097 36.095 ( 1.089 0.000 2.900) 3.097 37.025 ( -0.045 0.000 -4.839) 4.839 37.025 ( 0.045 0.000 -4.839) 4.839 37.025 ( -0.045 0.000 4.839) 4.839 37.025 ( 0.045 0.000 4.839) 4.839 =================== 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 3/32832 10.0 366.200 374.942 390.800 0.000 0.000 0.000 3/32832 20.0 51.623 52.415 49.031 0.000 0.000 0.000 3/32832 30.0 18.619 18.926 17.431 0.000 0.000 0.000 3/32832 40.0 10.263 10.246 9.527 0.000 0.000 0.000 3/32832 50.0 6.937 6.837 6.432 0.000 0.000 0.000 3/32832 60.0 5.226 5.115 4.866 0.000 0.000 0.000 3/32832 70.0 4.192 4.093 3.931 0.000 0.000 0.000 3/32832 80.0 3.500 3.416 3.310 0.000 0.000 0.000 3/32832 90.0 3.003 2.933 2.866 0.000 0.000 0.000 3/32832 100.0 2.629 2.571 2.531 0.000 0.000 0.000 3/32832 110.0 2.337 2.289 2.270 0.000 0.000 0.000 3/32832 120.0 2.104 2.063 2.060 0.000 0.000 0.000 3/32832 130.0 1.912 1.878 1.887 0.000 0.000 0.000 3/32832 140.0 1.753 1.724 1.743 0.000 0.000 0.000 3/32832 150.0 1.619 1.594 1.620 0.000 0.000 0.000 3/32832 160.0 1.504 1.482 1.515 0.000 0.000 0.000 3/32832 170.0 1.404 1.385 1.423 0.000 0.000 0.000 3/32832 180.0 1.318 1.301 1.343 0.000 0.000 0.000 3/32832 190.0 1.241 1.227 1.272 0.000 0.000 0.000 3/32832 200.0 1.174 1.161 1.209 0.000 0.000 0.000 3/32832 210.0 1.114 1.102 1.153 0.000 0.000 0.000 3/32832 220.0 1.060 1.050 1.102 0.000 0.000 0.000 3/32832 230.0 1.011 1.002 1.057 0.000 0.000 0.000 3/32832 240.0 0.967 0.959 1.015 0.000 0.000 0.000 3/32832 250.0 0.927 0.920 0.977 0.000 0.000 0.000 3/32832 260.0 0.890 0.885 0.943 0.000 0.000 0.000 3/32832 270.0 0.857 0.852 0.911 0.000 0.000 0.000 3/32832 280.0 0.826 0.822 0.882 0.000 0.000 0.000 3/32832 290.0 0.797 0.795 0.855 0.000 0.000 0.000 3/32832 300.0 0.771 0.769 0.830 0.000 0.000 0.000 3/32832 310.0 0.747 0.746 0.806 0.000 0.000 0.000 3/32832 320.0 0.724 0.724 0.785 0.000 0.000 0.000 3/32832 330.0 0.703 0.703 0.764 0.000 0.000 0.000 3/32832 340.0 0.683 0.684 0.745 0.000 0.000 0.000 3/32832 350.0 0.664 0.666 0.727 0.000 0.000 0.000 3/32832 360.0 0.647 0.649 0.710 0.000 0.000 0.000 3/32832 370.0 0.630 0.633 0.694 0.000 0.000 0.000 3/32832 380.0 0.615 0.618 0.679 0.000 0.000 0.000 3/32832 390.0 0.600 0.604 0.665 0.000 0.000 0.000 3/32832 400.0 0.586 0.591 0.651 0.000 0.000 0.000 3/32832 410.0 0.573 0.578 0.638 0.000 0.000 0.000 3/32832 420.0 0.560 0.566 0.626 0.000 0.000 0.000 3/32832 430.0 0.548 0.554 0.614 0.000 0.000 0.000 3/32832 440.0 0.537 0.543 0.603 0.000 0.000 0.000 3/32832 450.0 0.526 0.532 0.592 0.000 0.000 0.000 3/32832 460.0 0.515 0.522 0.582 0.000 0.000 0.000 3/32832 470.0 0.505 0.513 0.572 0.000 0.000 0.000 3/32832 480.0 0.496 0.503 0.562 0.000 0.000 0.000 3/32832 490.0 0.486 0.494 0.553 0.000 0.000 0.000 3/32832 500.0 0.478 0.486 0.544 0.000 0.000 0.000 3/32832 510.0 0.469 0.477 0.535 0.000 0.000 0.000 3/32832 520.0 0.461 0.469 0.527 0.000 0.000 0.000 3/32832 530.0 0.453 0.462 0.519 0.000 0.000 0.000 3/32832 540.0 0.445 0.454 0.511 0.000 0.000 0.000 3/32832 550.0 0.438 0.447 0.503 0.000 0.000 0.000 3/32832 560.0 0.431 0.440 0.496 0.000 0.000 0.000 3/32832 570.0 0.424 0.433 0.489 0.000 0.000 0.000 3/32832 580.0 0.417 0.427 0.482 0.000 0.000 0.000 3/32832 590.0 0.411 0.421 0.475 0.000 0.000 0.000 3/32832 600.0 0.405 0.414 0.468 0.000 0.000 0.000 3/32832 610.0 0.399 0.408 0.462 0.000 0.000 0.000 3/32832 620.0 0.393 0.403 0.456 0.000 0.000 0.000 3/32832 630.0 0.387 0.397 0.450 0.000 0.000 0.000 3/32832 640.0 0.382 0.392 0.444 0.000 0.000 0.000 3/32832 650.0 0.376 0.386 0.438 0.000 0.000 0.000 3/32832 660.0 0.371 0.381 0.433 0.000 0.000 0.000 3/32832 670.0 0.366 0.376 0.427 0.000 0.000 0.000 3/32832 680.0 0.361 0.371 0.422 0.000 0.000 0.000 3/32832 690.0 0.356 0.367 0.417 0.000 0.000 0.000 3/32832 700.0 0.352 0.362 0.412 0.000 0.000 0.000 3/32832 710.0 0.347 0.357 0.407 0.000 0.000 0.000 3/32832 720.0 0.343 0.353 0.402 0.000 0.000 0.000 3/32832 730.0 0.338 0.349 0.397 0.000 0.000 0.000 3/32832 740.0 0.334 0.344 0.393 0.000 0.000 0.000 3/32832 750.0 0.330 0.340 0.388 0.000 0.000 0.000 3/32832 760.0 0.326 0.336 0.384 0.000 0.000 0.000 3/32832 770.0 0.322 0.332 0.380 0.000 0.000 0.000 3/32832 780.0 0.318 0.329 0.376 0.000 0.000 0.000 3/32832 790.0 0.315 0.325 0.371 0.000 0.000 0.000 3/32832 800.0 0.311 0.321 0.367 0.000 0.000 0.000 3/32832 810.0 0.308 0.318 0.363 0.000 0.000 0.000 3/32832 820.0 0.304 0.314 0.360 0.000 0.000 0.000 3/32832 830.0 0.301 0.311 0.356 0.000 0.000 0.000 3/32832 840.0 0.297 0.307 0.352 0.000 0.000 0.000 3/32832 850.0 0.294 0.304 0.349 0.000 0.000 0.000 3/32832 860.0 0.291 0.301 0.345 0.000 0.000 0.000 3/32832 870.0 0.288 0.298 0.342 0.000 0.000 0.000 3/32832 880.0 0.285 0.295 0.338 0.000 0.000 0.000 3/32832 890.0 0.282 0.292 0.335 0.000 0.000 0.000 3/32832 900.0 0.279 0.289 0.331 0.000 0.000 0.000 3/32832 910.0 0.276 0.286 0.328 0.000 0.000 0.000 3/32832 920.0 0.273 0.283 0.325 0.000 0.000 0.000 3/32832 930.0 0.271 0.280 0.322 0.000 0.000 0.000 3/32832 940.0 0.268 0.278 0.319 0.000 0.000 0.000 3/32832 950.0 0.265 0.275 0.316 0.000 0.000 0.000 3/32832 960.0 0.263 0.272 0.313 0.000 0.000 0.000 3/32832 970.0 0.260 0.270 0.310 0.000 0.000 0.000 3/32832 980.0 0.258 0.267 0.307 0.000 0.000 0.000 3/32832 990.0 0.255 0.265 0.304 0.000 0.000 0.000 3/32832 1000.0 0.253 0.262 0.302 0.000 0.000 0.000 3/32832 Thermal conductivity related properties were written into "kappa-m466.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 01:25:55]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|