----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 02:01:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 4 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.770511841473201 0.000000000000000 0.000000000000000 b 0.000000000000000 10.872345019999999 0.000000000000000 c -6.124672512214866 0.000000000000000 15.817051364273684 Atomic positions (fractional): *1 Si 0.97516448614126 0.21453339959054 0.76644374995493 28.085 2 Si 0.02483551385874 0.71453339959054 0.73355625004507 28.085 3 Si 0.02483551385874 0.78546660040946 0.23355625004507 28.085 4 Si 0.97516448614126 0.28546660040946 0.26644374995493 28.085 *5 Si 0.25868896764519 0.38309805330574 0.06011504879157 28.085 6 Si 0.74131103235481 0.88309805330574 0.43988495120843 28.085 7 Si 0.74131103235481 0.61690194669426 0.93988495120843 28.085 8 Si 0.25868896764519 0.11690194669426 0.56011504879157 28.085 *9 Si 0.60387639061895 0.05407736007324 0.88301209765289 28.085 10 Si 0.39612360938105 0.55407736007325 0.61698790234711 28.085 11 Si 0.39612360938105 0.94592263992675 0.11698790234711 28.085 12 Si 0.60387639061895 0.44592263992676 0.38301209765289 28.085 *13 S 0.07040783791589 0.03910675684971 0.81168740283372 32.065 14 S 0.92959216208411 0.53910675684971 0.68831259716628 32.065 15 S 0.92959216208411 0.96089324315029 0.18831259716628 32.065 16 S 0.07040783791589 0.46089324315029 0.31168740283372 32.065 *17 S 0.18384495798666 0.56116476081064 0.02728506024533 32.065 18 S 0.81615504201334 0.06116476081064 0.47271493975467 32.065 19 S 0.81615504201334 0.43883523918936 0.97271493975467 32.065 20 S 0.18384495798666 0.93883523918936 0.52728506024533 32.065 *21 S 0.52240476979763 0.23360504693937 0.87315607175924 32.065 22 S 0.47759523020237 0.73360504693937 0.62684392824076 32.065 23 S 0.47759523020237 0.76639495306063 0.12684392824076 32.065 24 S 0.52240476979763 0.26639495306063 0.37315607175924 32.065 *25 S 0.18639446673100 0.97453405403702 0.02169942737831 32.065 26 S 0.81360553326900 0.47453405403702 0.47830057262169 32.065 27 S 0.81360553326900 0.02546594596298 0.97830057262169 32.065 28 S 0.18639446673100 0.52546594596298 0.52169942737831 32.065 *29 S 0.62013920517216 0.97758073312947 0.77054073587141 32.065 30 S 0.37986079482784 0.47758073312946 0.72945926412859 32.065 31 S 0.37986079482784 0.02241926687053 0.22945926412859 32.065 32 S 0.62013920517216 0.52241926687053 0.27054073587141 32.065 *33 S 0.44718937731220 0.93512366067274 0.90716732771605 32.065 34 S 0.55281062268780 0.43512366067273 0.59283267228395 32.065 35 S 0.55281062268780 0.06487633932726 0.09283267228395 32.065 36 S 0.44718937731220 0.56487633932726 0.40716732771605 32.065 *37 S 0.46292168413638 0.34594883653283 0.05273960972880 32.065 38 S 0.53707831586362 0.84594883653284 0.44726039027121 32.065 39 S 0.53707831586362 0.65405116346716 0.94726039027121 32.065 40 S 0.46292168413638 0.15405116346716 0.55273960972879 32.065 *41 S 0.09490504717214 0.25945472277985 0.98449349602932 32.065 42 S 0.90509495282786 0.75945472277985 0.51550650397068 32.065 43 S 0.90509495282786 0.74054527722015 0.01550650397068 32.065 44 S 0.09490504717214 0.24054527722015 0.48449349602932 32.065 *45 S 0.16064488624508 0.33643250534546 0.81288894887161 32.065 46 S 0.83935511375492 0.83643250534546 0.68711105112839 32.065 47 S 0.83935511375492 0.66356749465454 0.18711105112839 32.065 48 S 0.16064488624508 0.16356749465454 0.31288894887161 32.065 *49 S 0.11308645781224 0.71272846569883 0.86641418434255 32.065 50 S 0.88691354218776 0.21272846569883 0.63358581565745 32.065 51 S 0.88691354218776 0.28727153430117 0.13358581565745 32.065 52 S 0.11308645781224 0.78727153430117 0.36641418434255 32.065 *53 S 0.73674123631362 0.65296828707236 0.81479715284057 32.065 54 S 0.26325876368638 0.15296828707237 0.68520284715943 32.065 55 S 0.26325876368638 0.34703171292764 0.18520284715943 32.065 56 S 0.73674123631362 0.84703171292764 0.31479715284057 32.065 *57 S 0.81269327523209 0.27484823856339 0.81220561353392 32.065 58 S 0.18730672476791 0.77484823856339 0.68779438646608 32.065 59 S 0.18730672476791 0.72515176143661 0.18779438646608 32.065 60 S 0.81269327523209 0.22515176143661 0.31220561353392 32.065 *61 Tb 0.53058670254710 0.26183914867929 0.70990421224973 158.925 62 Tb 0.46941329745290 0.76183914867929 0.79009578775027 158.925 63 Tb 0.46941329745290 0.73816085132071 0.29009578775027 158.925 64 Tb 0.53058670254710 0.23816085132071 0.20990421224973 158.925 *65 Tb 0.89991033405446 0.87502588748090 0.86894936142947 158.925 66 Tb 0.10008966594554 0.37502588748090 0.63105063857053 158.925 67 Tb 0.10008966594554 0.12497411251910 0.13105063857053 158.925 68 Tb 0.89991033405446 0.62497411251910 0.36894936142947 158.925 *69 Tb 0.31620605156554 0.15179034006101 0.94060999873411 158.925 70 Tb 0.68379394843446 0.65179034006101 0.55939000126589 158.925 71 Tb 0.68379394843446 0.84820965993899 0.05939000126589 158.925 72 Tb 0.31620605156554 0.34820965993899 0.44060999873411 158.925 *73 Tb 0.98434521097008 0.48301052436610 0.87460175725920 158.925 74 Tb 0.01565478902992 0.98301052436610 0.62539824274080 158.925 75 Tb 0.01565478902992 0.51698947563390 0.12539824274080 158.925 76 Tb 0.98434521097008 0.01698947563390 0.37460175725920 158.925 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.770511841473201 0.000000000000000 0.000000000000000 b 0.000000000000000 10.872345019999999 0.000000000000000 c -6.124672512214866 0.000000000000000 15.817051364273684 Atomic positions (fractional): *1 Si 0.97516448614126 0.21453339959054 0.76644374995493 28.085 > 1 2 Si 0.02483551385874 0.71453339959054 0.73355625004507 28.085 > 2 3 Si 0.02483551385874 0.78546660040946 0.23355625004507 28.085 > 3 4 Si 0.97516448614126 0.28546660040946 0.26644374995493 28.085 > 4 *5 Si 0.25868896764519 0.38309805330574 0.06011504879157 28.085 > 5 6 Si 0.74131103235481 0.88309805330574 0.43988495120843 28.085 > 6 7 Si 0.74131103235481 0.61690194669426 0.93988495120843 28.085 > 7 8 Si 0.25868896764519 0.11690194669426 0.56011504879157 28.085 > 8 *9 Si 0.60387639061895 0.05407736007324 0.88301209765289 28.085 > 9 10 Si 0.39612360938105 0.55407736007325 0.61698790234711 28.085 > 10 11 Si 0.39612360938105 0.94592263992675 0.11698790234711 28.085 > 11 12 Si 0.60387639061895 0.44592263992676 0.38301209765289 28.085 > 12 *13 S 0.07040783791589 0.03910675684971 0.81168740283372 32.065 > 13 14 S 0.92959216208411 0.53910675684971 0.68831259716628 32.065 > 14 15 S 0.92959216208411 0.96089324315029 0.18831259716628 32.065 > 15 16 S 0.07040783791589 0.46089324315029 0.31168740283372 32.065 > 16 *17 S 0.18384495798666 0.56116476081064 0.02728506024533 32.065 > 17 18 S 0.81615504201334 0.06116476081064 0.47271493975467 32.065 > 18 19 S 0.81615504201334 0.43883523918936 0.97271493975467 32.065 > 19 20 S 0.18384495798666 0.93883523918936 0.52728506024533 32.065 > 20 *21 S 0.52240476979763 0.23360504693937 0.87315607175924 32.065 > 21 22 S 0.47759523020237 0.73360504693937 0.62684392824076 32.065 > 22 23 S 0.47759523020237 0.76639495306063 0.12684392824076 32.065 > 23 24 S 0.52240476979763 0.26639495306063 0.37315607175924 32.065 > 24 *25 S 0.18639446673100 0.97453405403702 0.02169942737831 32.065 > 25 26 S 0.81360553326900 0.47453405403702 0.47830057262169 32.065 > 26 27 S 0.81360553326900 0.02546594596298 0.97830057262169 32.065 > 27 28 S 0.18639446673100 0.52546594596298 0.52169942737831 32.065 > 28 *29 S 0.62013920517216 0.97758073312947 0.77054073587141 32.065 > 29 30 S 0.37986079482784 0.47758073312946 0.72945926412859 32.065 > 30 31 S 0.37986079482784 0.02241926687053 0.22945926412859 32.065 > 31 32 S 0.62013920517216 0.52241926687053 0.27054073587141 32.065 > 32 *33 S 0.44718937731220 0.93512366067274 0.90716732771605 32.065 > 33 34 S 0.55281062268780 0.43512366067273 0.59283267228395 32.065 > 34 35 S 0.55281062268780 0.06487633932726 0.09283267228395 32.065 > 35 36 S 0.44718937731220 0.56487633932726 0.40716732771605 32.065 > 36 *37 S 0.46292168413638 0.34594883653283 0.05273960972880 32.065 > 37 38 S 0.53707831586362 0.84594883653284 0.44726039027121 32.065 > 38 39 S 0.53707831586362 0.65405116346716 0.94726039027121 32.065 > 39 40 S 0.46292168413638 0.15405116346716 0.55273960972879 32.065 > 40 *41 S 0.09490504717214 0.25945472277985 0.98449349602932 32.065 > 41 42 S 0.90509495282786 0.75945472277985 0.51550650397068 32.065 > 42 43 S 0.90509495282786 0.74054527722015 0.01550650397068 32.065 > 43 44 S 0.09490504717214 0.24054527722015 0.48449349602932 32.065 > 44 *45 S 0.16064488624508 0.33643250534546 0.81288894887161 32.065 > 45 46 S 0.83935511375492 0.83643250534546 0.68711105112839 32.065 > 46 47 S 0.83935511375492 0.66356749465454 0.18711105112839 32.065 > 47 48 S 0.16064488624508 0.16356749465454 0.31288894887161 32.065 > 48 *49 S 0.11308645781224 0.71272846569883 0.86641418434255 32.065 > 49 50 S 0.88691354218776 0.21272846569883 0.63358581565745 32.065 > 50 51 S 0.88691354218776 0.28727153430117 0.13358581565745 32.065 > 51 52 S 0.11308645781224 0.78727153430117 0.36641418434255 32.065 > 52 *53 S 0.73674123631362 0.65296828707236 0.81479715284057 32.065 > 53 54 S 0.26325876368638 0.15296828707237 0.68520284715943 32.065 > 54 55 S 0.26325876368638 0.34703171292764 0.18520284715943 32.065 > 55 56 S 0.73674123631362 0.84703171292764 0.31479715284057 32.065 > 56 *57 S 0.81269327523209 0.27484823856339 0.81220561353392 32.065 > 57 58 S 0.18730672476791 0.77484823856339 0.68779438646608 32.065 > 58 59 S 0.18730672476791 0.72515176143661 0.18779438646608 32.065 > 59 60 S 0.81269327523209 0.22515176143661 0.31220561353392 32.065 > 60 *61 Tb 0.53058670254710 0.26183914867929 0.70990421224973 158.925 > 61 62 Tb 0.46941329745290 0.76183914867929 0.79009578775027 158.925 > 62 63 Tb 0.46941329745290 0.73816085132071 0.29009578775027 158.925 > 63 64 Tb 0.53058670254710 0.23816085132071 0.20990421224973 158.925 > 64 *65 Tb 0.89991033405446 0.87502588748090 0.86894936142947 158.925 > 65 66 Tb 0.10008966594554 0.37502588748090 0.63105063857053 158.925 > 66 67 Tb 0.10008966594554 0.12497411251910 0.13105063857053 158.925 > 67 68 Tb 0.89991033405446 0.62497411251910 0.36894936142947 158.925 > 68 *69 Tb 0.31620605156554 0.15179034006101 0.94060999873411 158.925 > 69 70 Tb 0.68379394843446 0.65179034006101 0.55939000126589 158.925 > 70 71 Tb 0.68379394843446 0.84820965993899 0.05939000126589 158.925 > 71 72 Tb 0.31620605156554 0.34820965993899 0.44060999873411 158.925 > 72 *73 Tb 0.98434521097008 0.48301052436610 0.87460175725920 158.925 > 73 74 Tb 0.01565478902992 0.98301052436610 0.62539824274080 158.925 > 74 75 Tb 0.01565478902992 0.51698947563390 0.12539824274080 158.925 > 75 76 Tb 0.98434521097008 0.01698947563390 0.37460175725920 158.925 > 76 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.770511841473201 0.000000000000000 0.000000000000000 b 0.000000000000000 10.872345019999999 0.000000000000000 c -6.124672512214866 0.000000000000000 15.817051364273684 Atomic positions (fractional): *1 Si 0.97516448614126 0.21453339959054 0.76644374995493 28.085 > 1 2 Si 0.02483551385874 0.71453339959054 0.73355625004507 28.085 > 2 3 Si 0.02483551385874 0.78546660040946 0.23355625004507 28.085 > 3 4 Si 0.97516448614126 0.28546660040946 0.26644374995493 28.085 > 4 *5 Si 0.25868896764519 0.38309805330574 0.06011504879157 28.085 > 5 6 Si 0.74131103235481 0.88309805330574 0.43988495120843 28.085 > 6 7 Si 0.74131103235481 0.61690194669426 0.93988495120843 28.085 > 7 8 Si 0.25868896764519 0.11690194669426 0.56011504879157 28.085 > 8 *9 Si 0.60387639061895 0.05407736007324 0.88301209765289 28.085 > 9 10 Si 0.39612360938105 0.55407736007325 0.61698790234711 28.085 > 10 11 Si 0.39612360938105 0.94592263992675 0.11698790234711 28.085 > 11 12 Si 0.60387639061895 0.44592263992676 0.38301209765289 28.085 > 12 *13 S 0.07040783791589 0.03910675684971 0.81168740283372 32.065 > 13 14 S 0.92959216208411 0.53910675684971 0.68831259716628 32.065 > 14 15 S 0.92959216208411 0.96089324315029 0.18831259716628 32.065 > 15 16 S 0.07040783791589 0.46089324315029 0.31168740283372 32.065 > 16 *17 S 0.18384495798666 0.56116476081064 0.02728506024533 32.065 > 17 18 S 0.81615504201334 0.06116476081064 0.47271493975467 32.065 > 18 19 S 0.81615504201334 0.43883523918936 0.97271493975467 32.065 > 19 20 S 0.18384495798666 0.93883523918936 0.52728506024533 32.065 > 20 *21 S 0.52240476979763 0.23360504693937 0.87315607175924 32.065 > 21 22 S 0.47759523020237 0.73360504693937 0.62684392824076 32.065 > 22 23 S 0.47759523020237 0.76639495306063 0.12684392824076 32.065 > 23 24 S 0.52240476979763 0.26639495306063 0.37315607175924 32.065 > 24 *25 S 0.18639446673100 0.97453405403702 0.02169942737831 32.065 > 25 26 S 0.81360553326900 0.47453405403702 0.47830057262169 32.065 > 26 27 S 0.81360553326900 0.02546594596298 0.97830057262169 32.065 > 27 28 S 0.18639446673100 0.52546594596298 0.52169942737831 32.065 > 28 *29 S 0.62013920517216 0.97758073312947 0.77054073587141 32.065 > 29 30 S 0.37986079482784 0.47758073312946 0.72945926412859 32.065 > 30 31 S 0.37986079482784 0.02241926687053 0.22945926412859 32.065 > 31 32 S 0.62013920517216 0.52241926687053 0.27054073587141 32.065 > 32 *33 S 0.44718937731220 0.93512366067274 0.90716732771605 32.065 > 33 34 S 0.55281062268780 0.43512366067273 0.59283267228395 32.065 > 34 35 S 0.55281062268780 0.06487633932726 0.09283267228395 32.065 > 35 36 S 0.44718937731220 0.56487633932726 0.40716732771605 32.065 > 36 *37 S 0.46292168413638 0.34594883653283 0.05273960972880 32.065 > 37 38 S 0.53707831586362 0.84594883653284 0.44726039027121 32.065 > 38 39 S 0.53707831586362 0.65405116346716 0.94726039027121 32.065 > 39 40 S 0.46292168413638 0.15405116346716 0.55273960972879 32.065 > 40 *41 S 0.09490504717214 0.25945472277985 0.98449349602932 32.065 > 41 42 S 0.90509495282786 0.75945472277985 0.51550650397068 32.065 > 42 43 S 0.90509495282786 0.74054527722015 0.01550650397068 32.065 > 43 44 S 0.09490504717214 0.24054527722015 0.48449349602932 32.065 > 44 *45 S 0.16064488624508 0.33643250534546 0.81288894887161 32.065 > 45 46 S 0.83935511375492 0.83643250534546 0.68711105112839 32.065 > 46 47 S 0.83935511375492 0.66356749465454 0.18711105112839 32.065 > 47 48 S 0.16064488624508 0.16356749465454 0.31288894887161 32.065 > 48 *49 S 0.11308645781224 0.71272846569883 0.86641418434255 32.065 > 49 50 S 0.88691354218776 0.21272846569883 0.63358581565745 32.065 > 50 51 S 0.88691354218776 0.28727153430117 0.13358581565745 32.065 > 51 52 S 0.11308645781224 0.78727153430117 0.36641418434255 32.065 > 52 *53 S 0.73674123631362 0.65296828707236 0.81479715284057 32.065 > 53 54 S 0.26325876368638 0.15296828707237 0.68520284715943 32.065 > 54 55 S 0.26325876368638 0.34703171292764 0.18520284715943 32.065 > 55 56 S 0.73674123631362 0.84703171292764 0.31479715284057 32.065 > 56 *57 S 0.81269327523209 0.27484823856339 0.81220561353392 32.065 > 57 58 S 0.18730672476791 0.77484823856339 0.68779438646608 32.065 > 58 59 S 0.18730672476791 0.72515176143661 0.18779438646608 32.065 > 59 60 S 0.81269327523209 0.22515176143661 0.31220561353392 32.065 > 60 *61 Tb 0.53058670254710 0.26183914867929 0.70990421224973 158.925 > 61 62 Tb 0.46941329745290 0.76183914867929 0.79009578775027 158.925 > 62 63 Tb 0.46941329745290 0.73816085132071 0.29009578775027 158.925 > 63 64 Tb 0.53058670254710 0.23816085132071 0.20990421224973 158.925 > 64 *65 Tb 0.89991033405446 0.87502588748090 0.86894936142947 158.925 > 65 66 Tb 0.10008966594554 0.37502588748090 0.63105063857053 158.925 > 66 67 Tb 0.10008966594554 0.12497411251910 0.13105063857053 158.925 > 67 68 Tb 0.89991033405446 0.62497411251910 0.36894936142947 158.925 > 68 *69 Tb 0.31620605156554 0.15179034006101 0.94060999873411 158.925 > 69 70 Tb 0.68379394843446 0.65179034006101 0.55939000126589 158.925 > 70 71 Tb 0.68379394843446 0.84820965993899 0.05939000126589 158.925 > 71 72 Tb 0.31620605156554 0.34820965993899 0.44060999873411 158.925 > 72 *73 Tb 0.98434521097008 0.48301052436610 0.87460175725920 158.925 > 73 74 Tb 0.01565478902992 0.98301052436610 0.62539824274080 158.925 > 74 75 Tb 0.01565478902992 0.51698947563390 0.12539824274080 158.925 > 75 76 Tb 0.98434521097008 0.01698947563390 0.37460175725920 158.925 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1264707 0.0000000 -0.1636838 0.0000000 6.0490936 0.0000000 -0.1636769 0.0000000 6.3285453 -------------------------- Born effective charges -------------------------- 1 Si 2.5972389 -0.4508825 -0.7694201 -0.5820435 2.4923112 -0.0755348 -0.0033237 -0.2535871 2.6454028 2 Si 2.5972389 0.4508825 -0.7694201 0.5820435 2.4923112 0.0755348 -0.0033237 0.2535871 2.6454028 3 Si 2.5972389 -0.4508825 -0.7694201 -0.5820435 2.4923112 -0.0755348 -0.0033237 -0.2535871 2.6454028 4 Si 2.5972389 0.4508825 -0.7694201 0.5820435 2.4923112 0.0755348 -0.0033237 0.2535871 2.6454028 5 Si 2.2687819 -0.7321366 0.0987788 -0.6513767 2.6246631 -0.1302950 0.2864080 -0.1513063 2.1548895 6 Si 2.2687819 0.7321366 0.0987788 0.6513767 2.6246631 0.1302950 0.2864080 0.1513063 2.1548895 7 Si 2.2687819 -0.7321366 0.0987788 -0.6513767 2.6246631 -0.1302950 0.2864080 -0.1513063 2.1548895 8 Si 2.2687819 0.7321366 0.0987788 0.6513767 2.6246631 0.1302950 0.2864080 0.1513063 2.1548895 9 Si 2.6899490 -0.5082283 0.2285485 -0.4943679 2.4734786 -0.0256193 0.4486764 -0.7755472 2.2699263 10 Si 2.6899490 0.5082283 0.2285485 0.4943679 2.4734786 0.0256193 0.4486764 0.7755472 2.2699263 11 Si 2.6899490 -0.5082283 0.2285485 -0.4943679 2.4734786 -0.0256193 0.4486764 -0.7755472 2.2699263 12 Si 2.6899490 0.5082283 0.2285485 0.4943679 2.4734786 0.0256193 0.4486764 0.7755472 2.2699263 13 S -1.3953165 -0.2217278 0.0809743 -0.2793617 -2.3131011 0.1652790 0.0116843 0.2317792 -2.0871135 14 S -1.3953165 0.2217278 0.0809743 0.2793617 -2.3131011 -0.1652790 0.0116843 -0.2317792 -2.0871135 15 S -1.3953165 -0.2217278 0.0809743 -0.2793617 -2.3131011 0.1652790 0.0116843 0.2317792 -2.0871135 16 S -1.3953165 0.2217278 0.0809743 0.2793617 -2.3131011 -0.1652790 0.0116843 -0.2317792 -2.0871135 17 S -1.1591156 0.5036359 -0.0588334 0.5760476 -1.6876648 0.1737109 -0.0093030 0.2620771 -1.7948635 18 S -1.1591156 -0.5036359 -0.0588334 -0.5760476 -1.6876648 -0.1737109 -0.0093030 -0.2620771 -1.7948635 19 S -1.1591156 0.5036359 -0.0588334 0.5760476 -1.6876648 0.1737109 -0.0093030 0.2620771 -1.7948635 20 S -1.1591156 -0.5036359 -0.0588334 -0.5760476 -1.6876648 -0.1737109 -0.0093030 -0.2620771 -1.7948635 21 S -2.0730904 0.3542694 0.6423294 0.2421887 -1.7985889 0.5531350 0.6038811 0.7783083 -1.8841117 22 S -2.0730904 -0.3542694 0.6423294 -0.2421887 -1.7985889 -0.5531350 0.6038811 -0.7783083 -1.8841117 23 S -2.0730904 0.3542694 0.6423294 0.2421887 -1.7985889 0.5531350 0.6038811 0.7783083 -1.8841117 24 S -2.0730904 -0.3542694 0.6423294 -0.2421887 -1.7985889 -0.5531350 0.6038811 -0.7783083 -1.8841117 25 S -2.3062803 0.1177889 -0.4101618 0.1375105 -1.2925633 -0.1352831 -0.5016193 0.1773713 -2.1551466 26 S -2.3062803 -0.1177889 -0.4101618 -0.1375105 -1.2925633 0.1352831 -0.5016193 -0.1773713 -2.1551466 27 S -2.3062803 0.1177889 -0.4101618 0.1375105 -1.2925633 -0.1352831 -0.5016193 0.1773713 -2.1551466 28 S -2.3062803 -0.1177889 -0.4101618 -0.1375105 -1.2925633 0.1352831 -0.5016193 -0.1773713 -2.1551466 29 S -1.6101016 0.2625101 -0.0466836 0.2054425 -2.1805497 0.1063228 0.0383410 0.0893520 -1.5604207 30 S -1.6101016 -0.2625101 -0.0466836 -0.2054425 -2.1805497 -0.1063228 0.0383410 -0.0893520 -1.5604207 31 S -1.6101016 0.2625101 -0.0466836 0.2054425 -2.1805497 0.1063228 0.0383410 0.0893520 -1.5604207 32 S -1.6101016 -0.2625101 -0.0466836 -0.2054425 -2.1805497 -0.1063228 0.0383410 -0.0893520 -1.5604207 33 S -1.9112543 0.3772965 0.3769571 0.3463491 -1.9218542 -0.2793447 0.2626369 -0.1213760 -1.6982687 34 S -1.9112543 -0.3772965 0.3769571 -0.3463491 -1.9218542 0.2793447 0.2626369 0.1213760 -1.6982687 35 S -1.9112543 0.3772965 0.3769571 0.3463491 -1.9218542 -0.2793447 0.2626369 -0.1213760 -1.6982687 36 S -1.9112543 -0.3772965 0.3769571 -0.3463491 -1.9218542 0.2793447 0.2626369 0.1213760 -1.6982687 37 S -1.6713968 0.5344268 -0.1331700 0.4579535 -1.2391470 -0.2134421 -0.2428689 -0.1800595 -1.9041144 38 S -1.6713968 -0.5344268 -0.1331700 -0.4579535 -1.2391470 0.2134421 -0.2428689 0.1800595 -1.9041144 39 S -1.6713968 0.5344268 -0.1331700 0.4579535 -1.2391470 -0.2134421 -0.2428689 -0.1800595 -1.9041144 40 S -1.6713968 -0.5344268 -0.1331700 -0.4579535 -1.2391470 0.2134421 -0.2428689 0.1800595 -1.9041144 41 S -1.4868423 0.1216457 0.1919656 0.1479791 -1.9693339 0.1293889 0.2609822 0.0516231 -2.0356503 42 S -1.4868423 -0.1216457 0.1919656 -0.1479791 -1.9693339 -0.1293889 0.2609822 -0.0516231 -2.0356503 43 S -1.4868423 0.1216457 0.1919656 0.1479791 -1.9693339 0.1293889 0.2609822 0.0516231 -2.0356503 44 S -1.4868423 -0.1216457 0.1919656 -0.1479791 -1.9693339 -0.1293889 0.2609822 -0.0516231 -2.0356503 45 S -1.7071726 0.1176578 0.1808742 0.1043926 -1.8507554 -0.0083246 0.0714589 -0.0044009 -2.2532755 46 S -1.7071726 -0.1176578 0.1808742 -0.1043926 -1.8507554 0.0083246 0.0714589 0.0044009 -2.2532755 47 S -1.7071726 0.1176578 0.1808742 0.1043926 -1.8507554 -0.0083246 0.0714589 -0.0044009 -2.2532755 48 S -1.7071726 -0.1176578 0.1808742 -0.1043926 -1.8507554 0.0083246 0.0714589 0.0044009 -2.2532755 49 S -1.5848175 0.1026645 0.4853915 0.0636274 -1.9280696 -0.0256896 0.4138759 -0.1632431 -1.7472122 50 S -1.5848175 -0.1026645 0.4853915 -0.0636274 -1.9280696 0.0256896 0.4138759 0.1632431 -1.7472122 51 S -1.5848175 0.1026645 0.4853915 0.0636274 -1.9280696 -0.0256896 0.4138759 -0.1632431 -1.7472122 52 S -1.5848175 -0.1026645 0.4853915 -0.0636274 -1.9280696 0.0256896 0.4138759 0.1632431 -1.7472122 53 S -2.0823679 0.4758621 -0.0951119 0.4898581 -1.8153022 0.1718643 -0.0495993 0.4385887 -1.6618152 54 S -2.0823679 -0.4758621 -0.0951119 -0.4898581 -1.8153022 -0.1718643 -0.0495993 -0.4385887 -1.6618152 55 S -2.0823679 0.4758621 -0.0951119 0.4898581 -1.8153022 0.1718643 -0.0495993 0.4385887 -1.6618152 56 S -2.0823679 -0.4758621 -0.0951119 -0.4898581 -1.8153022 -0.1718643 -0.0495993 -0.4385887 -1.6618152 57 S -3.0224870 0.1095933 -0.4464729 0.0982082 -1.6058953 -0.3929534 -0.3708642 -0.3645147 -1.3708350 58 S -3.0224870 -0.1095933 -0.4464729 -0.0982082 -1.6058953 0.3929534 -0.3708642 0.3645147 -1.3708350 59 S -3.0224870 0.1095933 -0.4464729 0.0982082 -1.6058953 -0.3929534 -0.3708642 -0.3645147 -1.3708350 60 S -3.0224870 -0.1095933 -0.4464729 -0.0982082 -1.6058953 0.3929534 -0.3708642 0.3645147 -1.3708350 61 Tb 3.9388980 0.3966009 0.7970634 0.3468267 3.3734739 -1.0522072 0.5630218 -0.6097243 4.0840559 62 Tb 3.9388980 -0.3966009 0.7970634 -0.3468267 3.3734739 1.0522072 0.5630218 0.6097243 4.0840559 63 Tb 3.9388980 0.3966009 0.7970634 0.3468267 3.3734739 -1.0522072 0.5630218 -0.6097243 4.0840559 64 Tb 3.9388980 -0.3966009 0.7970634 -0.3468267 3.3734739 1.0522072 0.5630218 0.6097243 4.0840559 65 Tb 3.7636879 -0.0733432 -0.4946237 0.0426087 3.7490029 0.0987141 -0.9021360 0.1272620 3.2238226 66 Tb 3.7636879 0.0733432 -0.4946237 -0.0426087 3.7490029 -0.0987141 -0.9021360 -0.1272620 3.2238226 67 Tb 3.7636879 -0.0733432 -0.4946237 0.0426087 3.7490029 0.0987141 -0.9021360 0.1272620 3.2238226 68 Tb 3.7636879 0.0733432 -0.4946237 -0.0426087 3.7490029 -0.0987141 -0.9021360 -0.1272620 3.2238226 69 Tb 3.9478198 -0.6295737 -0.3839385 -0.7383258 2.8581275 0.1004428 -0.3047521 -0.0523601 3.9947048 70 Tb 3.9478198 0.6295737 -0.3839385 0.7383258 2.8581275 -0.1004428 -0.3047521 0.0523601 3.9947048 71 Tb 3.9478198 -0.6295737 -0.3839385 -0.7383258 2.8581275 0.1004428 -0.3047521 -0.0523601 3.9947048 72 Tb 3.9478198 0.6295737 -0.3839385 0.7383258 2.8581275 -0.1004428 -0.3047521 0.0523601 3.9947048 73 Tb 2.8038671 -0.3848698 -0.2444667 -0.5694299 4.0317684 -0.0615089 -0.5765003 0.0745505 3.7800255 74 Tb 2.8038671 0.3848698 -0.2444667 0.5694299 4.0317684 0.0615089 -0.5765003 -0.0745505 3.7800255 75 Tb 2.8038671 -0.3848698 -0.2444667 -0.5694299 4.0317684 -0.0615089 -0.5765003 0.0745505 3.7800255 76 Tb 2.8038671 0.3848698 -0.2444667 0.5694299 4.0317684 0.0615089 -0.5765003 -0.0745505 3.7800255 ---------------------------------------------------------------------------- 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: 6612 Number of blocks in projector: 6612 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: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1444 / 1444 (1) 423 eigenvectors found. (1) Complementary block size: 89 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. Tree of FC basis block matrices: - (6612, 6442), data: False |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (1444, 1407), data: False |-- (1444, 52), data: (1444, 89) @ (89, 52) |-- (444, 423), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 463), data: False |-- (500, 35), data: (500, 72) @ (72, 35) |-- (250, 215), data: True |-- (250, 213), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True ----- Solver_atoms: 1 -- 76 / 76 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 2320 - Time: 1.226 Solver_block: 200 / 2320 - Time: 1.006 Solver_block: 300 / 2320 - Time: 1.005 Solver_block: 400 / 2320 - Time: 1.005 Solver_block: 500 / 2320 - Time: 1.005 Solver_block: 600 / 2320 - Time: 1.002 Solver_block: 700 / 2320 - Time: 1.006 Solver_block: 800 / 2320 - Time: 1.006 Solver_block: 900 / 2320 - Time: 1.005 Solver_block: 1000 / 2320 - Time: 1.005 Solver_block: 1100 / 2320 - Time: 1.005 Solver_block: 1200 / 2320 - Time: 1.007 Solver_block: 1300 / 2320 - Time: 1.003 Solver_block: 1400 / 2320 - Time: 1.002 Solver_block: 1500 / 2320 - Time: 1.006 Solver_block: 1600 / 2320 - Time: 1.002 Solver_block: 1700 / 2320 - Time: 1.006 Solver_block: 1800 / 2320 - Time: 1.006 Solver_block: 1900 / 2320 - Time: 1.005 Solver_block: 2000 / 2320 - Time: 1.007 Solver_block: 2100 / 2320 - Time: 1.007 Solver_block: 2200 / 2320 - Time: 1.006 Solver_block: 2300 / 2320 - Time: 1.005 Solver_block: 2320 / 2320 - Time: 0.353 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 24.392 --------------------------------- 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: 6612 Number of blocks in projector: 6612 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: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 212 eigenvectors found. (2) Block: 500 / 500 (2) 214 eigenvectors found. (2) Complementary block size: 74 (2) Compute compressed projector. (2) Use standard solver. (2) 36 eigenvectors found. (1) 462 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 218 eigenvectors found. (2) Block: 500 / 500 (2) 222 eigenvectors found. (2) Complementary block size: 60 (2) Compute compressed projector. (2) Use standard solver. (2) 28 eigenvectors found. (1) 468 eigenvectors found. (1) Block: 1444 / 1444 (1) 406 eigenvectors found. (1) Complementary block size: 108 (1) Compute compressed projector. (1) Use standard solver. (1) 70 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1444 Use submatrix version of eigh solver. (1) Block: 500 / 1444 (2) Block: 250 / 500 (2) 213 eigenvectors found. (2) Block: 500 / 500 (2) 215 eigenvectors found. (2) Complementary block size: 72 (2) Compute compressed projector. (2) Use standard solver. (2) 35 eigenvectors found. (1) 463 eigenvectors found. (1) Block: 1000 / 1444 (2) Block: 250 / 500 (2) 219 eigenvectors found. (2) Block: 500 / 500 (2) 223 eigenvectors found. (2) Complementary block size: 58 (2) Compute compressed projector. (2) Use standard solver. (2) 27 eigenvectors found. (1) 469 eigenvectors found. (1) Block: 1444 / 1444 (1) 423 eigenvectors found. (1) Complementary block size: 89 (1) Compute compressed projector. (1) Use standard solver. (1) 52 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 760 Use submatrix version of eigh solver. (1) Block: 500 / 760 (2) Block: 250 / 500 (2) 231 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 35 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 481 eigenvectors found. (1) Block: 760 / 760 (1) 241 eigenvectors found. (1) Complementary block size: 38 (1) Compute compressed projector. (1) Use standard solver. (1) 19 eigenvectors found. Tree of FC basis block matrices: - (6612, 6442), data: False |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (760, 741), data: False |-- (760, 19), data: (760, 38) @ (38, 19) |-- (260, 241), data: True |-- (500, 481), data: False |-- (500, 16), data: (500, 35) @ (35, 16) |-- (250, 234), data: True |-- (250, 231), data: True |-- (1444, 1407), data: False |-- (1444, 52), data: (1444, 89) @ (89, 52) |-- (444, 423), data: True |-- (500, 469), data: False |-- (500, 27), data: (500, 58) @ (58, 27) |-- (250, 223), data: True |-- (250, 219), data: True |-- (500, 463), data: False |-- (500, 35), data: (500, 72) @ (72, 35) |-- (250, 215), data: True |-- (250, 213), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), data: True |-- (1444, 1406), data: False |-- (1444, 70), data: (1444, 108) @ (108, 70) |-- (444, 406), data: True |-- (500, 468), data: False |-- (500, 28), data: (500, 60) @ (60, 28) |-- (250, 222), data: True |-- (250, 218), data: True |-- (500, 462), data: False |-- (500, 36), data: (500, 74) @ (74, 36) |-- (250, 214), data: True |-- (250, 212), 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 02:03:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:03:06]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.770511841473201 0.000000000000000 0.000000000000000 b 0.000000000000000 10.872345019999999 0.000000000000000 c -6.124672512214866 0.000000000000000 15.817051364273684 Atomic positions (fractional): 1 Si 0.97516448614126 0.21453339959054 0.76644374995493 28.085 2 Si 0.02483551385874 0.71453339959054 0.73355625004507 28.085 3 Si 0.02483551385874 0.78546660040946 0.23355625004507 28.085 4 Si 0.97516448614126 0.28546660040946 0.26644374995493 28.085 5 Si 0.25868896764519 0.38309805330574 0.06011504879157 28.085 6 Si 0.74131103235481 0.88309805330574 0.43988495120843 28.085 7 Si 0.74131103235481 0.61690194669426 0.93988495120843 28.085 8 Si 0.25868896764519 0.11690194669426 0.56011504879157 28.085 9 Si 0.60387639061895 0.05407736007324 0.88301209765289 28.085 10 Si 0.39612360938105 0.55407736007325 0.61698790234711 28.085 11 Si 0.39612360938105 0.94592263992675 0.11698790234711 28.085 12 Si 0.60387639061895 0.44592263992676 0.38301209765289 28.085 13 S 0.07040783791589 0.03910675684971 0.81168740283372 32.065 14 S 0.92959216208411 0.53910675684971 0.68831259716628 32.065 15 S 0.92959216208411 0.96089324315029 0.18831259716628 32.065 16 S 0.07040783791589 0.46089324315029 0.31168740283372 32.065 17 S 0.18384495798666 0.56116476081064 0.02728506024533 32.065 18 S 0.81615504201334 0.06116476081064 0.47271493975467 32.065 19 S 0.81615504201334 0.43883523918936 0.97271493975467 32.065 20 S 0.18384495798666 0.93883523918936 0.52728506024533 32.065 21 S 0.52240476979763 0.23360504693937 0.87315607175924 32.065 22 S 0.47759523020237 0.73360504693937 0.62684392824076 32.065 23 S 0.47759523020237 0.76639495306063 0.12684392824076 32.065 24 S 0.52240476979763 0.26639495306063 0.37315607175924 32.065 25 S 0.18639446673100 0.97453405403702 0.02169942737831 32.065 26 S 0.81360553326900 0.47453405403702 0.47830057262169 32.065 27 S 0.81360553326900 0.02546594596298 0.97830057262169 32.065 28 S 0.18639446673100 0.52546594596298 0.52169942737831 32.065 29 S 0.62013920517216 0.97758073312947 0.77054073587141 32.065 30 S 0.37986079482784 0.47758073312946 0.72945926412859 32.065 31 S 0.37986079482784 0.02241926687053 0.22945926412859 32.065 32 S 0.62013920517216 0.52241926687053 0.27054073587141 32.065 33 S 0.44718937731220 0.93512366067274 0.90716732771605 32.065 34 S 0.55281062268780 0.43512366067273 0.59283267228395 32.065 35 S 0.55281062268780 0.06487633932726 0.09283267228395 32.065 36 S 0.44718937731220 0.56487633932726 0.40716732771605 32.065 37 S 0.46292168413638 0.34594883653283 0.05273960972880 32.065 38 S 0.53707831586362 0.84594883653284 0.44726039027121 32.065 39 S 0.53707831586362 0.65405116346716 0.94726039027121 32.065 40 S 0.46292168413638 0.15405116346716 0.55273960972879 32.065 41 S 0.09490504717214 0.25945472277985 0.98449349602932 32.065 42 S 0.90509495282786 0.75945472277985 0.51550650397068 32.065 43 S 0.90509495282786 0.74054527722015 0.01550650397068 32.065 44 S 0.09490504717214 0.24054527722015 0.48449349602932 32.065 45 S 0.16064488624508 0.33643250534546 0.81288894887161 32.065 46 S 0.83935511375492 0.83643250534546 0.68711105112839 32.065 47 S 0.83935511375492 0.66356749465454 0.18711105112839 32.065 48 S 0.16064488624508 0.16356749465454 0.31288894887161 32.065 49 S 0.11308645781224 0.71272846569883 0.86641418434255 32.065 50 S 0.88691354218776 0.21272846569883 0.63358581565745 32.065 51 S 0.88691354218776 0.28727153430117 0.13358581565745 32.065 52 S 0.11308645781224 0.78727153430117 0.36641418434255 32.065 53 S 0.73674123631362 0.65296828707236 0.81479715284057 32.065 54 S 0.26325876368638 0.15296828707237 0.68520284715943 32.065 55 S 0.26325876368638 0.34703171292764 0.18520284715943 32.065 56 S 0.73674123631362 0.84703171292764 0.31479715284057 32.065 57 S 0.81269327523209 0.27484823856339 0.81220561353392 32.065 58 S 0.18730672476791 0.77484823856339 0.68779438646608 32.065 59 S 0.18730672476791 0.72515176143661 0.18779438646608 32.065 60 S 0.81269327523209 0.22515176143661 0.31220561353392 32.065 61 Tb 0.53058670254710 0.26183914867929 0.70990421224973 158.925 62 Tb 0.46941329745290 0.76183914867929 0.79009578775027 158.925 63 Tb 0.46941329745290 0.73816085132071 0.29009578775027 158.925 64 Tb 0.53058670254710 0.23816085132071 0.20990421224973 158.925 65 Tb 0.89991033405446 0.87502588748090 0.86894936142947 158.925 66 Tb 0.10008966594554 0.37502588748090 0.63105063857053 158.925 67 Tb 0.10008966594554 0.12497411251910 0.13105063857053 158.925 68 Tb 0.89991033405446 0.62497411251910 0.36894936142947 158.925 69 Tb 0.31620605156554 0.15179034006101 0.94060999873411 158.925 70 Tb 0.68379394843446 0.65179034006101 0.55939000126589 158.925 71 Tb 0.68379394843446 0.84820965993899 0.05939000126589 158.925 72 Tb 0.31620605156554 0.34820965993899 0.44060999873411 158.925 73 Tb 0.98434521097008 0.48301052436610 0.87460175725920 158.925 74 Tb 0.01565478902992 0.98301052436610 0.62539824274080 158.925 75 Tb 0.01565478902992 0.51698947563390 0.12539824274080 158.925 76 Tb 0.98434521097008 0.01698947563390 0.37460175725920 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.770511841473201 0.000000000000000 0.000000000000000 b 0.000000000000000 10.872345019999999 0.000000000000000 c -6.124672512214866 0.000000000000000 15.817051364273684 Atomic positions (fractional): 1 Si 0.97516448614126 0.21453339959054 0.76644374995493 28.085 > 1 2 Si 0.02483551385874 0.71453339959054 0.73355625004507 28.085 > 2 3 Si 0.02483551385874 0.78546660040946 0.23355625004507 28.085 > 3 4 Si 0.97516448614126 0.28546660040946 0.26644374995493 28.085 > 4 5 Si 0.25868896764519 0.38309805330574 0.06011504879157 28.085 > 5 6 Si 0.74131103235481 0.88309805330574 0.43988495120843 28.085 > 6 7 Si 0.74131103235481 0.61690194669426 0.93988495120843 28.085 > 7 8 Si 0.25868896764519 0.11690194669426 0.56011504879157 28.085 > 8 9 Si 0.60387639061895 0.05407736007324 0.88301209765289 28.085 > 9 10 Si 0.39612360938105 0.55407736007325 0.61698790234711 28.085 > 10 11 Si 0.39612360938105 0.94592263992675 0.11698790234711 28.085 > 11 12 Si 0.60387639061895 0.44592263992676 0.38301209765289 28.085 > 12 13 S 0.07040783791589 0.03910675684971 0.81168740283372 32.065 > 13 14 S 0.92959216208411 0.53910675684971 0.68831259716628 32.065 > 14 15 S 0.92959216208411 0.96089324315029 0.18831259716628 32.065 > 15 16 S 0.07040783791589 0.46089324315029 0.31168740283372 32.065 > 16 17 S 0.18384495798666 0.56116476081064 0.02728506024533 32.065 > 17 18 S 0.81615504201334 0.06116476081064 0.47271493975467 32.065 > 18 19 S 0.81615504201334 0.43883523918936 0.97271493975467 32.065 > 19 20 S 0.18384495798666 0.93883523918936 0.52728506024533 32.065 > 20 21 S 0.52240476979763 0.23360504693937 0.87315607175924 32.065 > 21 22 S 0.47759523020237 0.73360504693937 0.62684392824076 32.065 > 22 23 S 0.47759523020237 0.76639495306063 0.12684392824076 32.065 > 23 24 S 0.52240476979763 0.26639495306063 0.37315607175924 32.065 > 24 25 S 0.18639446673100 0.97453405403702 0.02169942737831 32.065 > 25 26 S 0.81360553326900 0.47453405403702 0.47830057262169 32.065 > 26 27 S 0.81360553326900 0.02546594596298 0.97830057262169 32.065 > 27 28 S 0.18639446673100 0.52546594596298 0.52169942737831 32.065 > 28 29 S 0.62013920517216 0.97758073312947 0.77054073587141 32.065 > 29 30 S 0.37986079482784 0.47758073312946 0.72945926412859 32.065 > 30 31 S 0.37986079482784 0.02241926687053 0.22945926412859 32.065 > 31 32 S 0.62013920517216 0.52241926687053 0.27054073587141 32.065 > 32 33 S 0.44718937731220 0.93512366067274 0.90716732771605 32.065 > 33 34 S 0.55281062268780 0.43512366067273 0.59283267228395 32.065 > 34 35 S 0.55281062268780 0.06487633932726 0.09283267228395 32.065 > 35 36 S 0.44718937731220 0.56487633932726 0.40716732771605 32.065 > 36 37 S 0.46292168413638 0.34594883653283 0.05273960972880 32.065 > 37 38 S 0.53707831586362 0.84594883653284 0.44726039027121 32.065 > 38 39 S 0.53707831586362 0.65405116346716 0.94726039027121 32.065 > 39 40 S 0.46292168413638 0.15405116346716 0.55273960972879 32.065 > 40 41 S 0.09490504717214 0.25945472277985 0.98449349602932 32.065 > 41 42 S 0.90509495282786 0.75945472277985 0.51550650397068 32.065 > 42 43 S 0.90509495282786 0.74054527722015 0.01550650397068 32.065 > 43 44 S 0.09490504717214 0.24054527722015 0.48449349602932 32.065 > 44 45 S 0.16064488624508 0.33643250534546 0.81288894887161 32.065 > 45 46 S 0.83935511375492 0.83643250534546 0.68711105112839 32.065 > 46 47 S 0.83935511375492 0.66356749465454 0.18711105112839 32.065 > 47 48 S 0.16064488624508 0.16356749465454 0.31288894887161 32.065 > 48 49 S 0.11308645781224 0.71272846569883 0.86641418434255 32.065 > 49 50 S 0.88691354218776 0.21272846569883 0.63358581565745 32.065 > 50 51 S 0.88691354218776 0.28727153430117 0.13358581565745 32.065 > 51 52 S 0.11308645781224 0.78727153430117 0.36641418434255 32.065 > 52 53 S 0.73674123631362 0.65296828707236 0.81479715284057 32.065 > 53 54 S 0.26325876368638 0.15296828707237 0.68520284715943 32.065 > 54 55 S 0.26325876368638 0.34703171292764 0.18520284715943 32.065 > 55 56 S 0.73674123631362 0.84703171292764 0.31479715284057 32.065 > 56 57 S 0.81269327523209 0.27484823856339 0.81220561353392 32.065 > 57 58 S 0.18730672476791 0.77484823856339 0.68779438646608 32.065 > 58 59 S 0.18730672476791 0.72515176143661 0.18779438646608 32.065 > 59 60 S 0.81269327523209 0.22515176143661 0.31220561353392 32.065 > 60 61 Tb 0.53058670254710 0.26183914867929 0.70990421224973 158.925 > 61 62 Tb 0.46941329745290 0.76183914867929 0.79009578775027 158.925 > 62 63 Tb 0.46941329745290 0.73816085132071 0.29009578775027 158.925 > 63 64 Tb 0.53058670254710 0.23816085132071 0.20990421224973 158.925 > 64 65 Tb 0.89991033405446 0.87502588748090 0.86894936142947 158.925 > 65 66 Tb 0.10008966594554 0.37502588748090 0.63105063857053 158.925 > 66 67 Tb 0.10008966594554 0.12497411251910 0.13105063857053 158.925 > 67 68 Tb 0.89991033405446 0.62497411251910 0.36894936142947 158.925 > 68 69 Tb 0.31620605156554 0.15179034006101 0.94060999873411 158.925 > 69 70 Tb 0.68379394843446 0.65179034006101 0.55939000126589 158.925 > 70 71 Tb 0.68379394843446 0.84820965993899 0.05939000126589 158.925 > 71 72 Tb 0.31620605156554 0.34820965993899 0.44060999873411 158.925 > 72 73 Tb 0.98434521097008 0.48301052436610 0.87460175725920 158.925 > 73 74 Tb 0.01565478902992 0.98301052436610 0.62539824274080 158.925 > 74 75 Tb 0.01565478902992 0.51698947563390 0.12539824274080 158.925 > 75 76 Tb 0.98434521097008 0.01698947563390 0.37460175725920 158.925 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 6.1264707 0.0000000 -0.1636838 0.0000000 6.0490936 0.0000000 -0.1636769 0.0000000 6.3285453 -------------------------- Born effective charges -------------------------- 1 Si 2.5972389 -0.4508825 -0.7694201 -0.5820435 2.4923112 -0.0755348 -0.0033237 -0.2535871 2.6454028 2 Si 2.5972389 0.4508825 -0.7694201 0.5820435 2.4923112 0.0755348 -0.0033237 0.2535871 2.6454028 3 Si 2.5972389 -0.4508825 -0.7694201 -0.5820435 2.4923112 -0.0755348 -0.0033237 -0.2535871 2.6454028 4 Si 2.5972389 0.4508825 -0.7694201 0.5820435 2.4923112 0.0755348 -0.0033237 0.2535871 2.6454028 5 Si 2.2687819 -0.7321366 0.0987788 -0.6513767 2.6246631 -0.1302950 0.2864080 -0.1513063 2.1548895 6 Si 2.2687819 0.7321366 0.0987788 0.6513767 2.6246631 0.1302950 0.2864080 0.1513063 2.1548895 7 Si 2.2687819 -0.7321366 0.0987788 -0.6513767 2.6246631 -0.1302950 0.2864080 -0.1513063 2.1548895 8 Si 2.2687819 0.7321366 0.0987788 0.6513767 2.6246631 0.1302950 0.2864080 0.1513063 2.1548895 9 Si 2.6899490 -0.5082283 0.2285485 -0.4943679 2.4734786 -0.0256193 0.4486764 -0.7755472 2.2699263 10 Si 2.6899490 0.5082283 0.2285485 0.4943679 2.4734786 0.0256193 0.4486764 0.7755472 2.2699263 11 Si 2.6899490 -0.5082283 0.2285485 -0.4943679 2.4734786 -0.0256193 0.4486764 -0.7755472 2.2699263 12 Si 2.6899490 0.5082283 0.2285485 0.4943679 2.4734786 0.0256193 0.4486764 0.7755472 2.2699263 13 S -1.3953165 -0.2217278 0.0809743 -0.2793617 -2.3131011 0.1652790 0.0116843 0.2317792 -2.0871135 14 S -1.3953165 0.2217278 0.0809743 0.2793617 -2.3131011 -0.1652790 0.0116843 -0.2317792 -2.0871135 15 S -1.3953165 -0.2217278 0.0809743 -0.2793617 -2.3131011 0.1652790 0.0116843 0.2317792 -2.0871135 16 S -1.3953165 0.2217278 0.0809743 0.2793617 -2.3131011 -0.1652790 0.0116843 -0.2317792 -2.0871135 17 S -1.1591156 0.5036359 -0.0588334 0.5760476 -1.6876648 0.1737109 -0.0093030 0.2620771 -1.7948635 18 S -1.1591156 -0.5036359 -0.0588334 -0.5760476 -1.6876648 -0.1737109 -0.0093030 -0.2620771 -1.7948635 19 S -1.1591156 0.5036359 -0.0588334 0.5760476 -1.6876648 0.1737109 -0.0093030 0.2620771 -1.7948635 20 S -1.1591156 -0.5036359 -0.0588334 -0.5760476 -1.6876648 -0.1737109 -0.0093030 -0.2620771 -1.7948635 21 S -2.0730904 0.3542694 0.6423294 0.2421887 -1.7985889 0.5531350 0.6038811 0.7783083 -1.8841117 22 S -2.0730904 -0.3542694 0.6423294 -0.2421887 -1.7985889 -0.5531350 0.6038811 -0.7783083 -1.8841117 23 S -2.0730904 0.3542694 0.6423294 0.2421887 -1.7985889 0.5531350 0.6038811 0.7783083 -1.8841117 24 S -2.0730904 -0.3542694 0.6423294 -0.2421887 -1.7985889 -0.5531350 0.6038811 -0.7783083 -1.8841117 25 S -2.3062803 0.1177889 -0.4101618 0.1375105 -1.2925633 -0.1352831 -0.5016193 0.1773713 -2.1551466 26 S -2.3062803 -0.1177889 -0.4101618 -0.1375105 -1.2925633 0.1352831 -0.5016193 -0.1773713 -2.1551466 27 S -2.3062803 0.1177889 -0.4101618 0.1375105 -1.2925633 -0.1352831 -0.5016193 0.1773713 -2.1551466 28 S -2.3062803 -0.1177889 -0.4101618 -0.1375105 -1.2925633 0.1352831 -0.5016193 -0.1773713 -2.1551466 29 S -1.6101016 0.2625101 -0.0466836 0.2054425 -2.1805497 0.1063228 0.0383410 0.0893520 -1.5604207 30 S -1.6101016 -0.2625101 -0.0466836 -0.2054425 -2.1805497 -0.1063228 0.0383410 -0.0893520 -1.5604207 31 S -1.6101016 0.2625101 -0.0466836 0.2054425 -2.1805497 0.1063228 0.0383410 0.0893520 -1.5604207 32 S -1.6101016 -0.2625101 -0.0466836 -0.2054425 -2.1805497 -0.1063228 0.0383410 -0.0893520 -1.5604207 33 S -1.9112543 0.3772965 0.3769571 0.3463491 -1.9218542 -0.2793447 0.2626369 -0.1213760 -1.6982687 34 S -1.9112543 -0.3772965 0.3769571 -0.3463491 -1.9218542 0.2793447 0.2626369 0.1213760 -1.6982687 35 S -1.9112543 0.3772965 0.3769571 0.3463491 -1.9218542 -0.2793447 0.2626369 -0.1213760 -1.6982687 36 S -1.9112543 -0.3772965 0.3769571 -0.3463491 -1.9218542 0.2793447 0.2626369 0.1213760 -1.6982687 37 S -1.6713968 0.5344268 -0.1331700 0.4579535 -1.2391470 -0.2134421 -0.2428689 -0.1800595 -1.9041144 38 S -1.6713968 -0.5344268 -0.1331700 -0.4579535 -1.2391470 0.2134421 -0.2428689 0.1800595 -1.9041144 39 S -1.6713968 0.5344268 -0.1331700 0.4579535 -1.2391470 -0.2134421 -0.2428689 -0.1800595 -1.9041144 40 S -1.6713968 -0.5344268 -0.1331700 -0.4579535 -1.2391470 0.2134421 -0.2428689 0.1800595 -1.9041144 41 S -1.4868423 0.1216457 0.1919656 0.1479791 -1.9693339 0.1293889 0.2609822 0.0516231 -2.0356503 42 S -1.4868423 -0.1216457 0.1919656 -0.1479791 -1.9693339 -0.1293889 0.2609822 -0.0516231 -2.0356503 43 S -1.4868423 0.1216457 0.1919656 0.1479791 -1.9693339 0.1293889 0.2609822 0.0516231 -2.0356503 44 S -1.4868423 -0.1216457 0.1919656 -0.1479791 -1.9693339 -0.1293889 0.2609822 -0.0516231 -2.0356503 45 S -1.7071726 0.1176578 0.1808742 0.1043926 -1.8507554 -0.0083246 0.0714589 -0.0044009 -2.2532755 46 S -1.7071726 -0.1176578 0.1808742 -0.1043926 -1.8507554 0.0083246 0.0714589 0.0044009 -2.2532755 47 S -1.7071726 0.1176578 0.1808742 0.1043926 -1.8507554 -0.0083246 0.0714589 -0.0044009 -2.2532755 48 S -1.7071726 -0.1176578 0.1808742 -0.1043926 -1.8507554 0.0083246 0.0714589 0.0044009 -2.2532755 49 S -1.5848175 0.1026645 0.4853915 0.0636274 -1.9280696 -0.0256896 0.4138759 -0.1632431 -1.7472122 50 S -1.5848175 -0.1026645 0.4853915 -0.0636274 -1.9280696 0.0256896 0.4138759 0.1632431 -1.7472122 51 S -1.5848175 0.1026645 0.4853915 0.0636274 -1.9280696 -0.0256896 0.4138759 -0.1632431 -1.7472122 52 S -1.5848175 -0.1026645 0.4853915 -0.0636274 -1.9280696 0.0256896 0.4138759 0.1632431 -1.7472122 53 S -2.0823679 0.4758621 -0.0951119 0.4898581 -1.8153022 0.1718643 -0.0495993 0.4385887 -1.6618152 54 S -2.0823679 -0.4758621 -0.0951119 -0.4898581 -1.8153022 -0.1718643 -0.0495993 -0.4385887 -1.6618152 55 S -2.0823679 0.4758621 -0.0951119 0.4898581 -1.8153022 0.1718643 -0.0495993 0.4385887 -1.6618152 56 S -2.0823679 -0.4758621 -0.0951119 -0.4898581 -1.8153022 -0.1718643 -0.0495993 -0.4385887 -1.6618152 57 S -3.0224870 0.1095933 -0.4464729 0.0982082 -1.6058953 -0.3929534 -0.3708642 -0.3645147 -1.3708350 58 S -3.0224870 -0.1095933 -0.4464729 -0.0982082 -1.6058953 0.3929534 -0.3708642 0.3645147 -1.3708350 59 S -3.0224870 0.1095933 -0.4464729 0.0982082 -1.6058953 -0.3929534 -0.3708642 -0.3645147 -1.3708350 60 S -3.0224870 -0.1095933 -0.4464729 -0.0982082 -1.6058953 0.3929534 -0.3708642 0.3645147 -1.3708350 61 Tb 3.9388980 0.3966009 0.7970634 0.3468267 3.3734739 -1.0522072 0.5630218 -0.6097243 4.0840559 62 Tb 3.9388980 -0.3966009 0.7970634 -0.3468267 3.3734739 1.0522072 0.5630218 0.6097243 4.0840559 63 Tb 3.9388980 0.3966009 0.7970634 0.3468267 3.3734739 -1.0522072 0.5630218 -0.6097243 4.0840559 64 Tb 3.9388980 -0.3966009 0.7970634 -0.3468267 3.3734739 1.0522072 0.5630218 0.6097243 4.0840559 65 Tb 3.7636879 -0.0733432 -0.4946237 0.0426087 3.7490029 0.0987141 -0.9021360 0.1272620 3.2238226 66 Tb 3.7636879 0.0733432 -0.4946237 -0.0426087 3.7490029 -0.0987141 -0.9021360 -0.1272620 3.2238226 67 Tb 3.7636879 -0.0733432 -0.4946237 0.0426087 3.7490029 0.0987141 -0.9021360 0.1272620 3.2238226 68 Tb 3.7636879 0.0733432 -0.4946237 -0.0426087 3.7490029 -0.0987141 -0.9021360 -0.1272620 3.2238226 69 Tb 3.9478198 -0.6295737 -0.3839385 -0.7383258 2.8581275 0.1004428 -0.3047521 -0.0523601 3.9947048 70 Tb 3.9478198 0.6295737 -0.3839385 0.7383258 2.8581275 -0.1004428 -0.3047521 0.0523601 3.9947048 71 Tb 3.9478198 -0.6295737 -0.3839385 -0.7383258 2.8581275 0.1004428 -0.3047521 -0.0523601 3.9947048 72 Tb 3.9478198 0.6295737 -0.3839385 0.7383258 2.8581275 -0.1004428 -0.3047521 0.0523601 3.9947048 73 Tb 2.8038671 -0.3848698 -0.2444667 -0.5694299 4.0317684 -0.0615089 -0.5765003 0.0745505 3.7800255 74 Tb 2.8038671 0.3848698 -0.2444667 0.5694299 4.0317684 0.0615089 -0.5765003 -0.0745505 3.7800255 75 Tb 2.8038671 -0.3848698 -0.2444667 -0.5694299 4.0317684 -0.0615089 -0.5765003 0.0745505 3.7800255 76 Tb 2.8038671 0.3848698 -0.2444667 0.5694299 4.0317684 0.0615089 -0.5765003 -0.0745505 3.7800255 ---------------------------------------------------------------------------- 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 5, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 21, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] 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] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0036 0.0000 0.0093] [ 0.0036 0.0000 -0.0093] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) 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 02:03:54]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 02:03:54]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.770511841473201 0.000000000000000 0.000000000000000 b 0.000000000000000 10.872345019999999 0.000000000000000 c -6.124672512214866 0.000000000000000 15.817051364273684 Atomic positions (fractional): 1 Si 0.97516448614126 0.21453339959054 0.76644374995493 28.085 2 Si 0.02483551385874 0.71453339959054 0.73355625004507 28.085 3 Si 0.02483551385874 0.78546660040946 0.23355625004507 28.085 4 Si 0.97516448614126 0.28546660040946 0.26644374995493 28.085 5 Si 0.25868896764519 0.38309805330574 0.06011504879157 28.085 6 Si 0.74131103235481 0.88309805330574 0.43988495120843 28.085 7 Si 0.74131103235481 0.61690194669426 0.93988495120843 28.085 8 Si 0.25868896764519 0.11690194669426 0.56011504879157 28.085 9 Si 0.60387639061895 0.05407736007324 0.88301209765289 28.085 10 Si 0.39612360938105 0.55407736007325 0.61698790234711 28.085 11 Si 0.39612360938105 0.94592263992675 0.11698790234711 28.085 12 Si 0.60387639061895 0.44592263992676 0.38301209765289 28.085 13 S 0.07040783791589 0.03910675684971 0.81168740283372 32.065 14 S 0.92959216208411 0.53910675684971 0.68831259716628 32.065 15 S 0.92959216208411 0.96089324315029 0.18831259716628 32.065 16 S 0.07040783791589 0.46089324315029 0.31168740283372 32.065 17 S 0.18384495798666 0.56116476081064 0.02728506024533 32.065 18 S 0.81615504201334 0.06116476081064 0.47271493975467 32.065 19 S 0.81615504201334 0.43883523918936 0.97271493975467 32.065 20 S 0.18384495798666 0.93883523918936 0.52728506024533 32.065 21 S 0.52240476979763 0.23360504693937 0.87315607175924 32.065 22 S 0.47759523020237 0.73360504693937 0.62684392824076 32.065 23 S 0.47759523020237 0.76639495306063 0.12684392824076 32.065 24 S 0.52240476979763 0.26639495306063 0.37315607175924 32.065 25 S 0.18639446673100 0.97453405403702 0.02169942737831 32.065 26 S 0.81360553326900 0.47453405403702 0.47830057262169 32.065 27 S 0.81360553326900 0.02546594596298 0.97830057262169 32.065 28 S 0.18639446673100 0.52546594596298 0.52169942737831 32.065 29 S 0.62013920517216 0.97758073312947 0.77054073587141 32.065 30 S 0.37986079482784 0.47758073312946 0.72945926412859 32.065 31 S 0.37986079482784 0.02241926687053 0.22945926412859 32.065 32 S 0.62013920517216 0.52241926687053 0.27054073587141 32.065 33 S 0.44718937731220 0.93512366067274 0.90716732771605 32.065 34 S 0.55281062268780 0.43512366067273 0.59283267228395 32.065 35 S 0.55281062268780 0.06487633932726 0.09283267228395 32.065 36 S 0.44718937731220 0.56487633932726 0.40716732771605 32.065 37 S 0.46292168413638 0.34594883653283 0.05273960972880 32.065 38 S 0.53707831586362 0.84594883653284 0.44726039027121 32.065 39 S 0.53707831586362 0.65405116346716 0.94726039027121 32.065 40 S 0.46292168413638 0.15405116346716 0.55273960972879 32.065 41 S 0.09490504717214 0.25945472277985 0.98449349602932 32.065 42 S 0.90509495282786 0.75945472277985 0.51550650397068 32.065 43 S 0.90509495282786 0.74054527722015 0.01550650397068 32.065 44 S 0.09490504717214 0.24054527722015 0.48449349602932 32.065 45 S 0.16064488624508 0.33643250534546 0.81288894887161 32.065 46 S 0.83935511375492 0.83643250534546 0.68711105112839 32.065 47 S 0.83935511375492 0.66356749465454 0.18711105112839 32.065 48 S 0.16064488624508 0.16356749465454 0.31288894887161 32.065 49 S 0.11308645781224 0.71272846569883 0.86641418434255 32.065 50 S 0.88691354218776 0.21272846569883 0.63358581565745 32.065 51 S 0.88691354218776 0.28727153430117 0.13358581565745 32.065 52 S 0.11308645781224 0.78727153430117 0.36641418434255 32.065 53 S 0.73674123631362 0.65296828707236 0.81479715284057 32.065 54 S 0.26325876368638 0.15296828707237 0.68520284715943 32.065 55 S 0.26325876368638 0.34703171292764 0.18520284715943 32.065 56 S 0.73674123631362 0.84703171292764 0.31479715284057 32.065 57 S 0.81269327523209 0.27484823856339 0.81220561353392 32.065 58 S 0.18730672476791 0.77484823856339 0.68779438646608 32.065 59 S 0.18730672476791 0.72515176143661 0.18779438646608 32.065 60 S 0.81269327523209 0.22515176143661 0.31220561353392 32.065 61 Tb 0.53058670254710 0.26183914867929 0.70990421224973 158.925 62 Tb 0.46941329745290 0.76183914867929 0.79009578775027 158.925 63 Tb 0.46941329745290 0.73816085132071 0.29009578775027 158.925 64 Tb 0.53058670254710 0.23816085132071 0.20990421224973 158.925 65 Tb 0.89991033405446 0.87502588748090 0.86894936142947 158.925 66 Tb 0.10008966594554 0.37502588748090 0.63105063857053 158.925 67 Tb 0.10008966594554 0.12497411251910 0.13105063857053 158.925 68 Tb 0.89991033405446 0.62497411251910 0.36894936142947 158.925 69 Tb 0.31620605156554 0.15179034006101 0.94060999873411 158.925 70 Tb 0.68379394843446 0.65179034006101 0.55939000126589 158.925 71 Tb 0.68379394843446 0.84820965993899 0.05939000126589 158.925 72 Tb 0.31620605156554 0.34820965993899 0.44060999873411 158.925 73 Tb 0.98434521097008 0.48301052436610 0.87460175725920 158.925 74 Tb 0.01565478902992 0.98301052436610 0.62539824274080 158.925 75 Tb 0.01565478902992 0.51698947563390 0.12539824274080 158.925 76 Tb 0.98434521097008 0.01698947563390 0.37460175725920 158.925 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.770511841473201 0.000000000000000 0.000000000000000 b 0.000000000000000 10.872345019999999 0.000000000000000 c -6.124672512214866 0.000000000000000 15.817051364273684 Atomic positions (fractional): 1 Si 0.97516448614126 0.21453339959054 0.76644374995493 28.085 > 1 2 Si 0.02483551385874 0.71453339959054 0.73355625004507 28.085 > 2 3 Si 0.02483551385874 0.78546660040946 0.23355625004507 28.085 > 3 4 Si 0.97516448614126 0.28546660040946 0.26644374995493 28.085 > 4 5 Si 0.25868896764519 0.38309805330574 0.06011504879157 28.085 > 5 6 Si 0.74131103235481 0.88309805330574 0.43988495120843 28.085 > 6 7 Si 0.74131103235481 0.61690194669426 0.93988495120843 28.085 > 7 8 Si 0.25868896764519 0.11690194669426 0.56011504879157 28.085 > 8 9 Si 0.60387639061895 0.05407736007324 0.88301209765289 28.085 > 9 10 Si 0.39612360938105 0.55407736007325 0.61698790234711 28.085 > 10 11 Si 0.39612360938105 0.94592263992675 0.11698790234711 28.085 > 11 12 Si 0.60387639061895 0.44592263992676 0.38301209765289 28.085 > 12 13 S 0.07040783791589 0.03910675684971 0.81168740283372 32.065 > 13 14 S 0.92959216208411 0.53910675684971 0.68831259716628 32.065 > 14 15 S 0.92959216208411 0.96089324315029 0.18831259716628 32.065 > 15 16 S 0.07040783791589 0.46089324315029 0.31168740283372 32.065 > 16 17 S 0.18384495798666 0.56116476081064 0.02728506024533 32.065 > 17 18 S 0.81615504201334 0.06116476081064 0.47271493975467 32.065 > 18 19 S 0.81615504201334 0.43883523918936 0.97271493975467 32.065 > 19 20 S 0.18384495798666 0.93883523918936 0.52728506024533 32.065 > 20 21 S 0.52240476979763 0.23360504693937 0.87315607175924 32.065 > 21 22 S 0.47759523020237 0.73360504693937 0.62684392824076 32.065 > 22 23 S 0.47759523020237 0.76639495306063 0.12684392824076 32.065 > 23 24 S 0.52240476979763 0.26639495306063 0.37315607175924 32.065 > 24 25 S 0.18639446673100 0.97453405403702 0.02169942737831 32.065 > 25 26 S 0.81360553326900 0.47453405403702 0.47830057262169 32.065 > 26 27 S 0.81360553326900 0.02546594596298 0.97830057262169 32.065 > 27 28 S 0.18639446673100 0.52546594596298 0.52169942737831 32.065 > 28 29 S 0.62013920517216 0.97758073312947 0.77054073587141 32.065 > 29 30 S 0.37986079482784 0.47758073312946 0.72945926412859 32.065 > 30 31 S 0.37986079482784 0.02241926687053 0.22945926412859 32.065 > 31 32 S 0.62013920517216 0.52241926687053 0.27054073587141 32.065 > 32 33 S 0.44718937731220 0.93512366067274 0.90716732771605 32.065 > 33 34 S 0.55281062268780 0.43512366067273 0.59283267228395 32.065 > 34 35 S 0.55281062268780 0.06487633932726 0.09283267228395 32.065 > 35 36 S 0.44718937731220 0.56487633932726 0.40716732771605 32.065 > 36 37 S 0.46292168413638 0.34594883653283 0.05273960972880 32.065 > 37 38 S 0.53707831586362 0.84594883653284 0.44726039027121 32.065 > 38 39 S 0.53707831586362 0.65405116346716 0.94726039027121 32.065 > 39 40 S 0.46292168413638 0.15405116346716 0.55273960972879 32.065 > 40 41 S 0.09490504717214 0.25945472277985 0.98449349602932 32.065 > 41 42 S 0.90509495282786 0.75945472277985 0.51550650397068 32.065 > 42 43 S 0.90509495282786 0.74054527722015 0.01550650397068 32.065 > 43 44 S 0.09490504717214 0.24054527722015 0.48449349602932 32.065 > 44 45 S 0.16064488624508 0.33643250534546 0.81288894887161 32.065 > 45 46 S 0.83935511375492 0.83643250534546 0.68711105112839 32.065 > 46 47 S 0.83935511375492 0.66356749465454 0.18711105112839 32.065 > 47 48 S 0.16064488624508 0.16356749465454 0.31288894887161 32.065 > 48 49 S 0.11308645781224 0.71272846569883 0.86641418434255 32.065 > 49 50 S 0.88691354218776 0.21272846569883 0.63358581565745 32.065 > 50 51 S 0.88691354218776 0.28727153430117 0.13358581565745 32.065 > 51 52 S 0.11308645781224 0.78727153430117 0.36641418434255 32.065 > 52 53 S 0.73674123631362 0.65296828707236 0.81479715284057 32.065 > 53 54 S 0.26325876368638 0.15296828707237 0.68520284715943 32.065 > 54 55 S 0.26325876368638 0.34703171292764 0.18520284715943 32.065 > 55 56 S 0.73674123631362 0.84703171292764 0.31479715284057 32.065 > 56 57 S 0.81269327523209 0.27484823856339 0.81220561353392 32.065 > 57 58 S 0.18730672476791 0.77484823856339 0.68779438646608 32.065 > 58 59 S 0.18730672476791 0.72515176143661 0.18779438646608 32.065 > 59 60 S 0.81269327523209 0.22515176143661 0.31220561353392 32.065 > 60 61 Tb 0.53058670254710 0.26183914867929 0.70990421224973 158.925 > 61 62 Tb 0.46941329745290 0.76183914867929 0.79009578775027 158.925 > 62 63 Tb 0.46941329745290 0.73816085132071 0.29009578775027 158.925 > 63 64 Tb 0.53058670254710 0.23816085132071 0.20990421224973 158.925 > 64 65 Tb 0.89991033405446 0.87502588748090 0.86894936142947 158.925 > 65 66 Tb 0.10008966594554 0.37502588748090 0.63105063857053 158.925 > 66 67 Tb 0.10008966594554 0.12497411251910 0.13105063857053 158.925 > 67 68 Tb 0.89991033405446 0.62497411251910 0.36894936142947 158.925 > 68 69 Tb 0.31620605156554 0.15179034006101 0.94060999873411 158.925 > 69 70 Tb 0.68379394843446 0.65179034006101 0.55939000126589 158.925 > 70 71 Tb 0.68379394843446 0.84820965993899 0.05939000126589 158.925 > 71 72 Tb 0.31620605156554 0.34820965993899 0.44060999873411 158.925 > 72 73 Tb 0.98434521097008 0.48301052436610 0.87460175725920 158.925 > 73 74 Tb 0.01565478902992 0.98301052436610 0.62539824274080 158.925 > 74 75 Tb 0.01565478902992 0.51698947563390 0.12539824274080 158.925 > 75 76 Tb 0.98434521097008 0.01698947563390 0.37460175725920 158.925 > 76 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 6.1264707 0.0000000 -0.1636838 0.0000000 6.0490936 0.0000000 -0.1636769 0.0000000 6.3285453 -------------------------- Born effective charges -------------------------- 1 Si 2.5972389 -0.4508825 -0.7694201 -0.5820435 2.4923112 -0.0755348 -0.0033237 -0.2535871 2.6454028 2 Si 2.5972389 0.4508825 -0.7694201 0.5820435 2.4923112 0.0755348 -0.0033237 0.2535871 2.6454028 3 Si 2.5972389 -0.4508825 -0.7694201 -0.5820435 2.4923112 -0.0755348 -0.0033237 -0.2535871 2.6454028 4 Si 2.5972389 0.4508825 -0.7694201 0.5820435 2.4923112 0.0755348 -0.0033237 0.2535871 2.6454028 5 Si 2.2687819 -0.7321366 0.0987788 -0.6513767 2.6246631 -0.1302950 0.2864080 -0.1513063 2.1548895 6 Si 2.2687819 0.7321366 0.0987788 0.6513767 2.6246631 0.1302950 0.2864080 0.1513063 2.1548895 7 Si 2.2687819 -0.7321366 0.0987788 -0.6513767 2.6246631 -0.1302950 0.2864080 -0.1513063 2.1548895 8 Si 2.2687819 0.7321366 0.0987788 0.6513767 2.6246631 0.1302950 0.2864080 0.1513063 2.1548895 9 Si 2.6899490 -0.5082283 0.2285485 -0.4943679 2.4734786 -0.0256193 0.4486764 -0.7755472 2.2699263 10 Si 2.6899490 0.5082283 0.2285485 0.4943679 2.4734786 0.0256193 0.4486764 0.7755472 2.2699263 11 Si 2.6899490 -0.5082283 0.2285485 -0.4943679 2.4734786 -0.0256193 0.4486764 -0.7755472 2.2699263 12 Si 2.6899490 0.5082283 0.2285485 0.4943679 2.4734786 0.0256193 0.4486764 0.7755472 2.2699263 13 S -1.3953165 -0.2217278 0.0809743 -0.2793617 -2.3131011 0.1652790 0.0116843 0.2317792 -2.0871135 14 S -1.3953165 0.2217278 0.0809743 0.2793617 -2.3131011 -0.1652790 0.0116843 -0.2317792 -2.0871135 15 S -1.3953165 -0.2217278 0.0809743 -0.2793617 -2.3131011 0.1652790 0.0116843 0.2317792 -2.0871135 16 S -1.3953165 0.2217278 0.0809743 0.2793617 -2.3131011 -0.1652790 0.0116843 -0.2317792 -2.0871135 17 S -1.1591156 0.5036359 -0.0588334 0.5760476 -1.6876648 0.1737109 -0.0093030 0.2620771 -1.7948635 18 S -1.1591156 -0.5036359 -0.0588334 -0.5760476 -1.6876648 -0.1737109 -0.0093030 -0.2620771 -1.7948635 19 S -1.1591156 0.5036359 -0.0588334 0.5760476 -1.6876648 0.1737109 -0.0093030 0.2620771 -1.7948635 20 S -1.1591156 -0.5036359 -0.0588334 -0.5760476 -1.6876648 -0.1737109 -0.0093030 -0.2620771 -1.7948635 21 S -2.0730904 0.3542694 0.6423294 0.2421887 -1.7985889 0.5531350 0.6038811 0.7783083 -1.8841117 22 S -2.0730904 -0.3542694 0.6423294 -0.2421887 -1.7985889 -0.5531350 0.6038811 -0.7783083 -1.8841117 23 S -2.0730904 0.3542694 0.6423294 0.2421887 -1.7985889 0.5531350 0.6038811 0.7783083 -1.8841117 24 S -2.0730904 -0.3542694 0.6423294 -0.2421887 -1.7985889 -0.5531350 0.6038811 -0.7783083 -1.8841117 25 S -2.3062803 0.1177889 -0.4101618 0.1375105 -1.2925633 -0.1352831 -0.5016193 0.1773713 -2.1551466 26 S -2.3062803 -0.1177889 -0.4101618 -0.1375105 -1.2925633 0.1352831 -0.5016193 -0.1773713 -2.1551466 27 S -2.3062803 0.1177889 -0.4101618 0.1375105 -1.2925633 -0.1352831 -0.5016193 0.1773713 -2.1551466 28 S -2.3062803 -0.1177889 -0.4101618 -0.1375105 -1.2925633 0.1352831 -0.5016193 -0.1773713 -2.1551466 29 S -1.6101016 0.2625101 -0.0466836 0.2054425 -2.1805497 0.1063228 0.0383410 0.0893520 -1.5604207 30 S -1.6101016 -0.2625101 -0.0466836 -0.2054425 -2.1805497 -0.1063228 0.0383410 -0.0893520 -1.5604207 31 S -1.6101016 0.2625101 -0.0466836 0.2054425 -2.1805497 0.1063228 0.0383410 0.0893520 -1.5604207 32 S -1.6101016 -0.2625101 -0.0466836 -0.2054425 -2.1805497 -0.1063228 0.0383410 -0.0893520 -1.5604207 33 S -1.9112543 0.3772965 0.3769571 0.3463491 -1.9218542 -0.2793447 0.2626369 -0.1213760 -1.6982687 34 S -1.9112543 -0.3772965 0.3769571 -0.3463491 -1.9218542 0.2793447 0.2626369 0.1213760 -1.6982687 35 S -1.9112543 0.3772965 0.3769571 0.3463491 -1.9218542 -0.2793447 0.2626369 -0.1213760 -1.6982687 36 S -1.9112543 -0.3772965 0.3769571 -0.3463491 -1.9218542 0.2793447 0.2626369 0.1213760 -1.6982687 37 S -1.6713968 0.5344268 -0.1331700 0.4579535 -1.2391470 -0.2134421 -0.2428689 -0.1800595 -1.9041144 38 S -1.6713968 -0.5344268 -0.1331700 -0.4579535 -1.2391470 0.2134421 -0.2428689 0.1800595 -1.9041144 39 S -1.6713968 0.5344268 -0.1331700 0.4579535 -1.2391470 -0.2134421 -0.2428689 -0.1800595 -1.9041144 40 S -1.6713968 -0.5344268 -0.1331700 -0.4579535 -1.2391470 0.2134421 -0.2428689 0.1800595 -1.9041144 41 S -1.4868423 0.1216457 0.1919656 0.1479791 -1.9693339 0.1293889 0.2609822 0.0516231 -2.0356503 42 S -1.4868423 -0.1216457 0.1919656 -0.1479791 -1.9693339 -0.1293889 0.2609822 -0.0516231 -2.0356503 43 S -1.4868423 0.1216457 0.1919656 0.1479791 -1.9693339 0.1293889 0.2609822 0.0516231 -2.0356503 44 S -1.4868423 -0.1216457 0.1919656 -0.1479791 -1.9693339 -0.1293889 0.2609822 -0.0516231 -2.0356503 45 S -1.7071726 0.1176578 0.1808742 0.1043926 -1.8507554 -0.0083246 0.0714589 -0.0044009 -2.2532755 46 S -1.7071726 -0.1176578 0.1808742 -0.1043926 -1.8507554 0.0083246 0.0714589 0.0044009 -2.2532755 47 S -1.7071726 0.1176578 0.1808742 0.1043926 -1.8507554 -0.0083246 0.0714589 -0.0044009 -2.2532755 48 S -1.7071726 -0.1176578 0.1808742 -0.1043926 -1.8507554 0.0083246 0.0714589 0.0044009 -2.2532755 49 S -1.5848175 0.1026645 0.4853915 0.0636274 -1.9280696 -0.0256896 0.4138759 -0.1632431 -1.7472122 50 S -1.5848175 -0.1026645 0.4853915 -0.0636274 -1.9280696 0.0256896 0.4138759 0.1632431 -1.7472122 51 S -1.5848175 0.1026645 0.4853915 0.0636274 -1.9280696 -0.0256896 0.4138759 -0.1632431 -1.7472122 52 S -1.5848175 -0.1026645 0.4853915 -0.0636274 -1.9280696 0.0256896 0.4138759 0.1632431 -1.7472122 53 S -2.0823679 0.4758621 -0.0951119 0.4898581 -1.8153022 0.1718643 -0.0495993 0.4385887 -1.6618152 54 S -2.0823679 -0.4758621 -0.0951119 -0.4898581 -1.8153022 -0.1718643 -0.0495993 -0.4385887 -1.6618152 55 S -2.0823679 0.4758621 -0.0951119 0.4898581 -1.8153022 0.1718643 -0.0495993 0.4385887 -1.6618152 56 S -2.0823679 -0.4758621 -0.0951119 -0.4898581 -1.8153022 -0.1718643 -0.0495993 -0.4385887 -1.6618152 57 S -3.0224870 0.1095933 -0.4464729 0.0982082 -1.6058953 -0.3929534 -0.3708642 -0.3645147 -1.3708350 58 S -3.0224870 -0.1095933 -0.4464729 -0.0982082 -1.6058953 0.3929534 -0.3708642 0.3645147 -1.3708350 59 S -3.0224870 0.1095933 -0.4464729 0.0982082 -1.6058953 -0.3929534 -0.3708642 -0.3645147 -1.3708350 60 S -3.0224870 -0.1095933 -0.4464729 -0.0982082 -1.6058953 0.3929534 -0.3708642 0.3645147 -1.3708350 61 Tb 3.9388980 0.3966009 0.7970634 0.3468267 3.3734739 -1.0522072 0.5630218 -0.6097243 4.0840559 62 Tb 3.9388980 -0.3966009 0.7970634 -0.3468267 3.3734739 1.0522072 0.5630218 0.6097243 4.0840559 63 Tb 3.9388980 0.3966009 0.7970634 0.3468267 3.3734739 -1.0522072 0.5630218 -0.6097243 4.0840559 64 Tb 3.9388980 -0.3966009 0.7970634 -0.3468267 3.3734739 1.0522072 0.5630218 0.6097243 4.0840559 65 Tb 3.7636879 -0.0733432 -0.4946237 0.0426087 3.7490029 0.0987141 -0.9021360 0.1272620 3.2238226 66 Tb 3.7636879 0.0733432 -0.4946237 -0.0426087 3.7490029 -0.0987141 -0.9021360 -0.1272620 3.2238226 67 Tb 3.7636879 -0.0733432 -0.4946237 0.0426087 3.7490029 0.0987141 -0.9021360 0.1272620 3.2238226 68 Tb 3.7636879 0.0733432 -0.4946237 -0.0426087 3.7490029 -0.0987141 -0.9021360 -0.1272620 3.2238226 69 Tb 3.9478198 -0.6295737 -0.3839385 -0.7383258 2.8581275 0.1004428 -0.3047521 -0.0523601 3.9947048 70 Tb 3.9478198 0.6295737 -0.3839385 0.7383258 2.8581275 -0.1004428 -0.3047521 0.0523601 3.9947048 71 Tb 3.9478198 -0.6295737 -0.3839385 -0.7383258 2.8581275 0.1004428 -0.3047521 -0.0523601 3.9947048 72 Tb 3.9478198 0.6295737 -0.3839385 0.7383258 2.8581275 -0.1004428 -0.3047521 0.0523601 3.9947048 73 Tb 2.8038671 -0.3848698 -0.2444667 -0.5694299 4.0317684 -0.0615089 -0.5765003 0.0745505 3.7800255 74 Tb 2.8038671 0.3848698 -0.2444667 0.5694299 4.0317684 0.0615089 -0.5765003 -0.0745505 3.7800255 75 Tb 2.8038671 -0.3848698 -0.2444667 -0.5694299 4.0317684 -0.0615089 -0.5765003 0.0745505 3.7800255 76 Tb 2.8038671 0.3848698 -0.2444667 0.5694299 4.0317684 0.0615089 -0.5765003 -0.0745505 3.7800255 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000000 (yyz) -0.00000000 (yyz) -0.00000000 (yzy) 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 ... [ 5 5 3 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.35, Number of G-points: 301, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/24) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.978 ( 0.000 0.000 0.000) 0.000 1.221 ( 0.000 0.000 0.000) 0.000 1.263 ( 0.000 0.000 0.000) 0.000 1.458 ( 0.000 0.000 0.000) 0.000 1.530 ( 0.000 0.000 0.000) 0.000 1.547 ( 0.000 0.000 0.000) 0.000 1.617 ( 0.000 0.000 0.000) 0.000 1.628 ( 0.000 0.000 0.000) 0.000 1.707 ( 0.000 0.000 0.000) 0.000 1.719 ( 0.000 0.000 0.000) 0.000 1.817 ( 0.000 0.000 0.000) 0.000 1.842 ( 0.000 0.000 0.000) 0.000 1.927 ( 0.000 0.000 0.000) 0.000 1.937 ( 0.000 0.000 0.000) 0.000 2.046 ( 0.000 0.000 0.000) 0.000 2.082 ( 0.000 0.000 0.000) 0.000 2.113 ( 0.000 0.000 0.000) 0.000 2.139 ( 0.000 0.000 0.000) 0.000 2.150 ( 0.000 0.000 0.000) 0.000 2.168 ( 0.000 0.000 0.000) 0.000 2.224 ( 0.000 0.000 0.000) 0.000 2.303 ( 0.000 0.000 0.000) 0.000 2.358 ( 0.000 0.000 0.000) 0.000 2.359 ( 0.000 0.000 0.000) 0.000 2.379 ( 0.000 0.000 0.000) 0.000 2.438 ( 0.000 0.000 0.000) 0.000 2.454 ( 0.000 0.000 0.000) 0.000 2.487 ( 0.000 0.000 0.000) 0.000 2.508 ( 0.000 0.000 0.000) 0.000 2.519 ( 0.000 0.000 0.000) 0.000 2.539 ( 0.000 0.000 0.000) 0.000 2.581 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 0.000 0.000) 0.000 2.620 ( 0.000 0.000 0.000) 0.000 2.643 ( 0.000 0.000 0.000) 0.000 2.677 ( 0.000 0.000 0.000) 0.000 2.730 ( 0.000 0.000 0.000) 0.000 2.780 ( 0.000 0.000 0.000) 0.000 2.824 ( 0.000 0.000 0.000) 0.000 2.841 ( 0.000 0.000 0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.940 ( 0.000 0.000 0.000) 0.000 2.994 ( 0.000 0.000 0.000) 0.000 3.013 ( 0.000 0.000 0.000) 0.000 3.042 ( 0.000 0.000 0.000) 0.000 3.282 ( 0.000 0.000 0.000) 0.000 3.343 ( 0.000 0.000 0.000) 0.000 3.426 ( 0.000 0.000 0.000) 0.000 3.446 ( 0.000 0.000 0.000) 0.000 3.698 ( 0.000 0.000 0.000) 0.000 3.775 ( 0.000 0.000 0.000) 0.000 3.786 ( 0.000 0.000 0.000) 0.000 3.790 ( 0.000 0.000 0.000) 0.000 3.866 ( 0.000 0.000 0.000) 0.000 3.908 ( 0.000 0.000 0.000) 0.000 3.959 ( 0.000 0.000 0.000) 0.000 4.031 ( 0.000 0.000 0.000) 0.000 4.064 ( 0.000 0.000 0.000) 0.000 4.066 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.106 ( 0.000 0.000 0.000) 0.000 4.139 ( 0.000 0.000 0.000) 0.000 4.189 ( 0.000 0.000 0.000) 0.000 4.202 ( 0.000 0.000 0.000) 0.000 4.268 ( 0.000 0.000 0.000) 0.000 4.281 ( 0.000 0.000 0.000) 0.000 4.293 ( 0.000 0.000 0.000) 0.000 4.363 ( 0.000 0.000 0.000) 0.000 4.404 ( 0.000 0.000 0.000) 0.000 4.452 ( 0.000 0.000 0.000) 0.000 4.476 ( 0.000 0.000 0.000) 0.000 4.507 ( 0.000 0.000 0.000) 0.000 4.543 ( 0.000 0.000 0.000) 0.000 4.596 ( 0.000 0.000 0.000) 0.000 4.642 ( 0.000 0.000 0.000) 0.000 4.643 ( 0.000 0.000 0.000) 0.000 4.655 ( 0.000 0.000 0.000) 0.000 4.685 ( 0.000 0.000 0.000) 0.000 4.740 ( 0.000 0.000 0.000) 0.000 4.813 ( 0.000 0.000 0.000) 0.000 4.823 ( 0.000 0.000 0.000) 0.000 4.847 ( 0.000 0.000 0.000) 0.000 4.873 ( 0.000 0.000 0.000) 0.000 4.922 ( 0.000 0.000 0.000) 0.000 4.937 ( 0.000 0.000 0.000) 0.000 4.966 ( 0.000 0.000 0.000) 0.000 5.013 ( 0.000 0.000 0.000) 0.000 5.032 ( 0.000 0.000 0.000) 0.000 5.052 ( 0.000 0.000 0.000) 0.000 5.064 ( 0.000 0.000 0.000) 0.000 5.092 ( 0.000 0.000 0.000) 0.000 5.153 ( 0.000 0.000 0.000) 0.000 5.188 ( 0.000 0.000 0.000) 0.000 5.200 ( 0.000 0.000 0.000) 0.000 5.258 ( 0.000 0.000 0.000) 0.000 5.283 ( 0.000 0.000 0.000) 0.000 5.363 ( 0.000 0.000 0.000) 0.000 5.398 ( 0.000 0.000 0.000) 0.000 5.420 ( 0.000 0.000 0.000) 0.000 5.442 ( 0.000 0.000 0.000) 0.000 5.592 ( 0.000 0.000 0.000) 0.000 5.624 ( 0.000 0.000 0.000) 0.000 5.686 ( 0.000 0.000 0.000) 0.000 5.710 ( 0.000 0.000 0.000) 0.000 5.730 ( 0.000 0.000 0.000) 0.000 5.768 ( 0.000 0.000 0.000) 0.000 5.780 ( 0.000 0.000 0.000) 0.000 5.848 ( 0.000 0.000 0.000) 0.000 5.916 ( 0.000 0.000 0.000) 0.000 6.027 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.118 ( 0.000 0.000 0.000) 0.000 6.166 ( 0.000 0.000 0.000) 0.000 6.193 ( 0.000 0.000 0.000) 0.000 6.230 ( 0.000 0.000 0.000) 0.000 6.302 ( 0.000 0.000 0.000) 0.000 6.390 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.460 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.512 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.639 ( 0.000 0.000 0.000) 0.000 6.668 ( 0.000 0.000 0.000) 0.000 6.725 ( 0.000 0.000 0.000) 0.000 6.868 ( 0.000 0.000 0.000) 0.000 6.871 ( 0.000 0.000 0.000) 0.000 6.873 ( 0.000 0.000 0.000) 0.000 6.896 ( 0.000 0.000 0.000) 0.000 6.903 ( 0.000 0.000 0.000) 0.000 6.905 ( 0.000 0.000 0.000) 0.000 7.001 ( 0.000 0.000 0.000) 0.000 7.079 ( 0.000 0.000 0.000) 0.000 7.156 ( 0.000 0.000 0.000) 0.000 7.167 ( 0.000 0.000 0.000) 0.000 7.210 ( 0.000 0.000 0.000) 0.000 7.241 ( 0.000 0.000 0.000) 0.000 7.248 ( 0.000 0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.303 ( 0.000 0.000 0.000) 0.000 7.315 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 0.000) 0.000 7.403 ( 0.000 0.000 0.000) 0.000 7.443 ( 0.000 0.000 0.000) 0.000 7.461 ( 0.000 0.000 0.000) 0.000 7.496 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 0.000 0.000) 0.000 7.706 ( 0.000 0.000 0.000) 0.000 7.724 ( 0.000 0.000 0.000) 0.000 7.735 ( 0.000 0.000 0.000) 0.000 7.813 ( 0.000 0.000 0.000) 0.000 7.879 ( 0.000 0.000 0.000) 0.000 7.926 ( 0.000 0.000 0.000) 0.000 7.973 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.000 ( 0.000 0.000 0.000) 0.000 8.030 ( 0.000 0.000 0.000) 0.000 8.117 ( 0.000 0.000 0.000) 0.000 8.149 ( 0.000 0.000 0.000) 0.000 8.188 ( 0.000 0.000 0.000) 0.000 8.198 ( 0.000 0.000 0.000) 0.000 8.218 ( 0.000 0.000 0.000) 0.000 8.241 ( 0.000 0.000 0.000) 0.000 8.313 ( 0.000 0.000 0.000) 0.000 8.369 ( 0.000 0.000 0.000) 0.000 8.533 ( 0.000 0.000 0.000) 0.000 8.555 ( 0.000 0.000 0.000) 0.000 8.621 ( 0.000 0.000 0.000) 0.000 8.704 ( 0.000 0.000 0.000) 0.000 8.770 ( 0.000 0.000 0.000) 0.000 8.813 ( 0.000 0.000 0.000) 0.000 8.969 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.134 ( 0.000 0.000 0.000) 0.000 9.167 ( 0.000 0.000 0.000) 0.000 9.259 ( 0.000 0.000 0.000) 0.000 9.306 ( 0.000 0.000 0.000) 0.000 11.524 ( 0.000 0.000 0.000) 0.000 11.528 ( 0.000 0.000 0.000) 0.000 11.538 ( 0.000 0.000 0.000) 0.000 11.592 ( 0.000 0.000 0.000) 0.000 11.668 ( 0.000 0.000 0.000) 0.000 11.697 ( 0.000 0.000 0.000) 0.000 11.715 ( 0.000 0.000 0.000) 0.000 11.736 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.089 ( 0.000 0.000 0.000) 0.000 12.095 ( 0.000 0.000 0.000) 0.000 12.121 ( 0.000 0.000 0.000) 0.000 14.451 ( 0.000 0.000 0.000) 0.000 14.535 ( 0.000 0.000 0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 14.757 ( 0.000 0.000 0.000) 0.000 14.802 ( 0.000 0.000 0.000) 0.000 14.807 ( 0.000 0.000 0.000) 0.000 14.838 ( 0.000 0.000 0.000) 0.000 14.848 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.097 ( 0.000 0.000 0.000) 0.000 15.169 ( 0.000 0.000 0.000) 0.000 15.225 ( 0.000 0.000 0.000) 0.000 15.310 ( 0.000 0.000 0.000) 0.000 15.510 ( 0.000 0.000 0.000) 0.000 15.567 ( 0.000 0.000 0.000) 0.000 15.572 ( 0.000 0.000 0.000) 0.000 15.924 ( 0.000 0.000 0.000) 0.000 16.007 ( 0.000 0.000 0.000) 0.000 16.109 ( 0.000 0.000 0.000) 0.000 16.135 ( 0.000 0.000 0.000) 0.000 16.369 ( 0.000 0.000 0.000) 0.000 16.426 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.504 ( 0.000 0.000 0.000) 0.000 16.570 ( 0.000 0.000 0.000) 0.000 16.648 ( 0.000 0.000 0.000) 0.000 16.713 ( 0.000 0.000 0.000) 0.000 16.722 ( 0.000 0.000 0.000) 0.000 16.806 ( 0.000 0.000 0.000) 0.000 16.891 ( 0.000 0.000 0.000) 0.000 17.033 ( 0.000 0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.904 ( 0.000 0.000 0.000) 0.000 17.946 ( 0.000 0.000 0.000) 0.000 18.033 ( 0.000 0.000 0.000) 0.000 18.037 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/24) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.386 ( 17.421 0.000 2.501) 17.600 0.467 ( 18.599 0.000 5.916) 19.517 0.643 ( 22.858 0.000 14.533) 27.087 0.959 ( 1.887 0.000 -8.574) 8.779 1.234 ( 6.286 0.000 -8.957) 10.942 1.315 ( -3.680 0.000 0.842) 3.775 1.376 ( -2.455 0.000 0.429) 2.492 1.392 ( -5.924 0.000 -0.281) 5.931 1.535 ( -6.864 0.000 -3.807) 7.849 1.617 ( -6.283 0.000 4.459) 7.704 1.648 ( -0.629 0.000 7.144) 7.172 1.673 ( -0.618 0.000 3.721) 3.772 1.692 ( -1.873 0.000 -3.922) 4.346 1.778 ( -3.170 0.000 0.344) 3.189 1.787 ( -4.054 0.000 3.782) 5.544 1.844 ( -4.777 0.000 -0.222) 4.782 1.930 ( 0.343 0.000 -0.287) 0.447 2.029 ( -2.657 0.000 -5.575) 6.175 2.052 ( 0.130 0.000 1.026) 1.034 2.136 ( -3.821 0.000 -1.716) 4.189 2.146 ( -1.813 0.000 3.153) 3.637 2.147 ( 1.080 0.000 -3.298) 3.470 2.181 ( 3.733 0.000 1.420) 3.994 2.212 ( 2.338 0.000 -1.579) 2.821 2.268 ( -2.915 0.000 0.832) 3.031 2.311 ( -1.428 0.000 -2.267) 2.679 2.334 ( -5.488 0.000 1.264) 5.632 2.358 ( 0.547 0.000 -2.347) 2.410 2.379 ( -3.444 0.000 -0.834) 3.543 2.444 ( -1.120 0.000 1.725) 2.057 2.452 ( -2.752 0.000 0.842) 2.878 2.465 ( -4.602 0.000 0.501) 4.629 2.552 ( 3.882 0.000 1.858) 4.303 2.562 ( 0.469 0.000 -0.583) 0.748 2.587 ( -2.970 0.000 -0.938) 3.115 2.607 ( -1.993 0.000 -4.390) 4.822 2.658 ( 5.848 0.000 1.251) 5.980 2.699 ( 0.850 0.000 0.097) 0.855 2.718 ( 2.894 0.000 -0.298) 2.909 2.746 ( 5.469 0.000 1.996) 5.822 2.770 ( -2.001 0.000 -1.665) 2.603 2.845 ( -0.279 0.000 -1.564) 1.589 2.847 ( 1.707 0.000 -0.697) 1.844 2.934 ( -3.375 0.000 -1.044) 3.533 2.940 ( 3.046 0.000 4.523) 5.453 2.982 ( -1.763 0.000 -2.568) 3.115 3.004 ( 5.186 0.000 2.779) 5.884 3.091 ( 1.106 0.000 1.501) 1.864 3.274 ( -0.446 0.000 -1.451) 1.518 3.318 ( -2.322 0.000 0.746) 2.439 3.426 ( -0.529 0.000 -0.532) 0.751 3.508 ( 2.711 0.000 1.086) 2.921 3.686 ( -1.098 0.000 3.109) 3.297 3.735 ( -2.535 0.000 -1.054) 2.745 3.815 ( 2.049 0.000 2.198) 3.005 3.818 ( 1.030 0.000 1.493) 1.814 3.906 ( -1.479 0.000 -2.016) 2.501 3.919 ( 1.876 0.000 1.222) 2.239 3.937 ( 1.447 0.000 0.382) 1.497 4.019 ( -1.465 0.000 -0.292) 1.494 4.041 ( -1.310 0.000 -0.485) 1.397 4.069 ( -3.133 0.000 0.315) 3.149 4.083 ( 0.383 0.000 1.216) 1.275 4.116 ( -1.386 0.000 -0.959) 1.685 4.154 ( 0.091 0.000 1.493) 1.495 4.189 ( -2.328 0.000 1.033) 2.547 4.244 ( -1.341 0.000 0.525) 1.440 4.285 ( -0.516 0.000 0.181) 0.547 4.298 ( -4.263 0.000 1.051) 4.391 4.326 ( 0.881 0.000 1.294) 1.565 4.352 ( 1.440 0.000 1.617) 2.165 4.354 ( -3.359 0.000 -2.309) 4.076 4.442 ( 0.175 0.000 1.740) 1.749 4.474 ( 2.329 0.000 -0.700) 2.432 4.490 ( -0.282 0.000 -1.701) 1.724 4.561 ( -4.486 0.000 -3.610) 5.758 4.590 ( -0.037 0.000 0.800) 0.801 4.596 ( -0.024 0.000 0.811) 0.811 4.635 ( -1.823 0.000 -0.259) 1.841 4.661 ( -2.368 0.000 2.448) 3.406 4.710 ( 4.131 0.000 0.619) 4.178 4.775 ( -0.268 0.000 -1.075) 1.108 4.800 ( 2.479 0.000 2.989) 3.883 4.821 ( -0.311 0.000 0.912) 0.964 4.893 ( -1.160 0.000 -1.229) 1.690 4.895 ( -1.909 0.000 -2.290) 2.981 4.925 ( -1.596 0.000 0.602) 1.706 4.958 ( 1.967 0.000 -0.378) 2.003 4.982 ( -1.026 0.000 -1.725) 2.007 5.005 ( -0.832 0.000 0.629) 1.043 5.058 ( 0.793 0.000 -0.746) 1.088 5.070 ( 0.766 0.000 -3.589) 3.670 5.093 ( 0.437 0.000 0.481) 0.650 5.112 ( 0.236 0.000 -2.684) 2.694 5.150 ( 0.081 0.000 2.183) 2.184 5.172 ( -1.027 0.000 -0.899) 1.365 5.251 ( 1.418 0.000 -0.582) 1.533 5.267 ( 1.298 0.000 -0.518) 1.397 5.313 ( 1.005 0.000 -2.859) 3.031 5.367 ( -0.021 0.000 -0.187) 0.188 5.410 ( -0.198 0.000 -0.716) 0.743 5.414 ( 0.590 0.000 1.199) 1.336 5.507 ( 1.392 0.000 3.838) 4.083 5.579 ( -1.286 0.000 -2.670) 2.964 5.629 ( 2.891 0.000 0.931) 3.037 5.645 ( -2.675 0.000 -2.382) 3.582 5.731 ( 0.849 0.000 5.018) 5.089 5.747 ( 1.137 0.000 -1.370) 1.780 5.783 ( 0.863 0.000 0.714) 1.120 5.805 ( 2.050 0.000 0.591) 2.133 5.895 ( 0.618 0.000 2.927) 2.991 5.936 ( 1.493 0.000 -2.250) 2.700 6.037 ( 2.229 0.000 -1.116) 2.492 6.115 ( 0.584 0.000 -0.273) 0.645 6.140 ( 1.595 0.000 2.186) 2.706 6.174 ( 1.229 0.000 -1.391) 1.856 6.193 ( 0.177 0.000 -0.132) 0.220 6.240 ( 1.548 0.000 -1.879) 2.435 6.303 ( 0.507 0.000 -2.127) 2.187 6.373 ( -1.848 0.000 2.830) 3.380 6.450 ( -1.992 0.000 5.638) 5.979 6.453 ( -1.393 0.000 2.006) 2.442 6.507 ( 1.232 0.000 -1.023) 1.602 6.519 ( -0.282 0.000 -4.036) 4.046 6.557 ( 1.793 0.000 -1.103) 2.105 6.633 ( 0.334 0.000 -2.170) 2.196 6.671 ( 0.761 0.000 -1.918) 2.064 6.694 ( -1.959 0.000 -0.413) 2.002 6.826 ( -1.848 0.000 -0.161) 1.855 6.864 ( -1.192 0.000 0.152) 1.201 6.880 ( 0.742 0.000 -0.171) 0.761 6.905 ( -0.193 0.000 0.500) 0.536 6.917 ( 1.667 0.000 2.943) 3.382 6.952 ( 1.508 0.000 -0.752) 1.685 6.984 ( -1.694 0.000 1.218) 2.086 7.058 ( -1.505 0.000 -0.358) 1.546 7.135 ( -1.356 0.000 1.974) 2.395 7.158 ( -3.293 0.000 -1.334) 3.553 7.234 ( 2.270 0.000 2.483) 3.364 7.236 ( -0.414 0.000 -1.537) 1.592 7.259 ( -1.526 0.000 0.018) 1.526 7.273 ( 1.816 0.000 -2.181) 2.838 7.322 ( -0.974 0.000 -2.723) 2.892 7.348 ( 2.282 0.000 1.764) 2.884 7.366 ( 2.432 0.000 0.318) 2.453 7.422 ( 1.647 0.000 -1.296) 2.095 7.468 ( 0.673 0.000 -0.693) 0.966 7.480 ( 0.282 0.000 3.952) 3.963 7.532 ( -0.894 0.000 2.077) 2.261 7.621 ( -0.798 0.000 -1.150) 1.400 7.702 ( -1.525 0.000 -0.815) 1.729 7.714 ( 0.735 0.000 0.817) 1.099 7.724 ( -1.228 0.000 2.397) 2.693 7.840 ( 1.459 0.000 -0.011) 1.459 7.860 ( 0.283 0.000 -1.193) 1.226 7.937 ( 1.007 0.000 -4.680) 4.787 7.975 ( -0.813 0.000 3.895) 3.979 7.992 ( -0.491 0.000 -0.430) 0.653 7.993 ( -1.027 0.000 -1.755) 2.033 8.100 ( -3.300 0.000 -0.059) 3.301 8.111 ( 0.186 0.000 -1.620) 1.631 8.182 ( -2.736 0.000 -0.757) 2.838 8.206 ( 1.051 0.000 -1.171) 1.574 8.208 ( -0.162 0.000 3.469) 3.473 8.215 ( 0.105 0.000 4.311) 4.312 8.293 ( -0.012 0.000 -3.834) 3.834 8.316 ( -1.527 0.000 -1.580) 2.197 8.426 ( 1.118 0.000 1.981) 2.274 8.518 ( -0.080 0.000 -1.066) 1.069 8.536 ( 0.649 0.000 -1.720) 1.838 8.681 ( 2.897 0.000 -2.070) 3.560 8.757 ( 0.541 0.000 2.102) 2.171 8.791 ( -1.651 0.000 1.234) 2.061 8.814 ( 0.099 0.000 -3.950) 3.951 9.016 ( 2.949 0.000 1.553) 3.333 9.097 ( -1.608 0.000 -1.310) 2.075 9.182 ( -1.942 0.000 1.875) 2.700 9.207 ( 3.708 0.000 -2.401) 4.418 9.286 ( 1.711 0.000 0.707) 1.851 9.308 ( -0.460 0.000 1.096) 1.189 11.496 ( -1.669 0.000 -0.722) 1.818 11.498 ( -1.907 0.000 1.013) 2.160 11.572 ( 1.897 0.000 -0.381) 1.935 11.609 ( 0.926 0.000 0.260) 0.962 11.672 ( 0.214 0.000 0.322) 0.387 11.690 ( 0.061 0.000 -0.188) 0.197 11.744 ( 1.552 0.000 0.025) 1.552 11.747 ( 1.030 0.000 -0.343) 1.086 12.089 ( -0.004 0.000 0.102) 0.102 12.092 ( 0.299 0.000 0.239) 0.382 12.094 ( 0.129 0.000 -0.463) 0.481 12.125 ( 0.259 0.000 0.179) 0.315 14.480 ( 2.392 0.000 0.768) 2.512 14.539 ( 0.935 0.000 -1.412) 1.694 14.659 ( 1.973 0.000 0.229) 1.986 14.719 ( -2.412 0.000 -1.383) 2.781 14.807 ( -0.399 0.000 -2.059) 2.098 14.825 ( 0.825 0.000 0.474) 0.952 14.857 ( 1.612 0.000 -2.212) 2.737 14.864 ( 1.623 0.000 -0.417) 1.675 15.092 ( 0.321 0.000 0.471) 0.570 15.111 ( 0.521 0.000 1.896) 1.966 15.168 ( 0.117 0.000 -0.576) 0.588 15.216 ( -0.464 0.000 -1.543) 1.611 15.482 ( -2.497 0.000 0.068) 2.498 15.509 ( -4.621 0.000 10.039) 11.051 15.561 ( -0.727 0.000 0.314) 0.792 15.562 ( -0.647 0.000 -0.338) 0.730 15.927 ( 0.167 0.000 0.130) 0.211 16.009 ( 0.150 0.000 -0.005) 0.150 16.140 ( 0.888 0.000 -1.400) 1.658 16.244 ( -2.652 0.000 4.749) 5.439 16.369 ( 0.029 0.000 -0.222) 0.224 16.430 ( 0.454 0.000 -0.236) 0.512 16.468 ( 1.670 0.000 -2.557) 3.054 16.511 ( 0.589 0.000 0.752) 0.955 16.572 ( 0.419 0.000 -0.613) 0.742 16.667 ( -2.166 0.000 0.382) 2.200 16.679 ( -0.723 0.000 0.944) 1.189 16.747 ( -0.407 0.000 -0.342) 0.532 16.811 ( 0.616 0.000 1.243) 1.387 16.881 ( -0.651 0.000 -0.531) 0.840 17.111 ( -0.339 0.000 -1.033) 1.087 17.220 ( -0.338 0.000 -3.415) 3.432 17.913 ( 0.829 0.000 0.145) 0.841 18.009 ( -1.114 0.000 -1.159) 1.608 18.035 ( 0.061 0.000 -0.672) 0.675 18.084 ( 1.272 0.000 -1.168) 1.726 ======================= Grid point 2 (3/24) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.745 ( 16.187 0.000 0.738) 16.203 0.754 ( 4.584 0.000 -2.190) 5.080 0.988 ( 7.106 0.000 -0.184) 7.108 1.054 ( -5.185 0.000 1.160) 5.313 1.104 ( 1.176 0.000 5.530) 5.654 1.256 ( -5.255 0.000 -4.686) 7.041 1.353 ( 8.358 0.000 -5.925) 10.245 1.403 ( -2.566 0.000 4.385) 5.080 1.476 ( 6.202 0.000 0.811) 6.255 1.491 ( -5.582 0.000 -2.675) 6.190 1.564 ( -5.852 0.000 0.590) 5.882 1.623 ( -4.589 0.000 2.124) 5.057 1.628 ( -5.523 0.000 4.121) 6.891 1.670 ( -6.236 0.000 0.195) 6.239 1.808 ( 1.492 0.000 6.344) 6.517 1.890 ( 5.788 0.000 -0.406) 5.802 1.896 ( -2.513 0.000 -4.077) 4.790 1.974 ( 0.932 0.000 -1.623) 1.872 2.046 ( -1.836 0.000 -2.861) 3.400 2.057 ( -1.722 0.000 2.297) 2.871 2.121 ( -1.635 0.000 1.735) 2.384 2.140 ( 0.887 0.000 -3.937) 4.036 2.209 ( -4.933 0.000 1.906) 5.288 2.235 ( -0.217 0.000 -0.683) 0.717 2.260 ( 0.066 0.000 3.700) 3.701 2.281 ( 4.032 0.000 4.661) 6.163 2.284 ( 0.998 0.000 -5.169) 5.265 2.314 ( -0.554 0.000 0.613) 0.826 2.360 ( 0.214 0.000 -1.509) 1.525 2.393 ( -1.584 0.000 -0.899) 1.822 2.427 ( 0.619 0.000 -0.608) 0.868 2.444 ( -5.582 0.000 -2.967) 6.321 2.472 ( -0.976 0.000 -1.922) 2.155 2.493 ( -4.755 0.000 0.263) 4.762 2.557 ( -1.050 0.000 -0.513) 1.168 2.647 ( 0.826 0.000 3.674) 3.765 2.703 ( -1.758 0.000 -1.201) 2.130 2.707 ( 3.390 0.000 -1.499) 3.706 2.754 ( 1.577 0.000 -1.772) 2.372 2.758 ( 0.583 0.000 -1.348) 1.469 2.823 ( -0.119 0.000 1.035) 1.042 2.824 ( -0.142 0.000 0.529) 0.547 2.905 ( 5.546 0.000 -0.763) 5.598 2.951 ( 2.918 0.000 -4.268) 5.171 2.954 ( -1.500 0.000 3.895) 4.174 2.991 ( 0.022 0.000 2.546) 2.546 3.105 ( -0.149 0.000 0.444) 0.469 3.134 ( 3.239 0.000 1.633) 3.627 3.242 ( -1.036 0.000 -1.314) 1.674 3.275 ( -1.771 0.000 0.392) 1.814 3.377 ( -3.049 0.000 0.741) 3.137 3.552 ( 0.710 0.000 0.692) 0.992 3.691 ( -0.545 0.000 -1.021) 1.158 3.737 ( 2.957 0.000 2.749) 4.038 3.808 ( -1.017 0.000 -1.453) 1.774 3.886 ( 0.992 0.000 1.421) 1.733 3.910 ( 0.763 0.000 0.392) 0.857 3.927 ( 1.923 0.000 2.482) 3.140 3.994 ( -2.691 0.000 -0.743) 2.792 3.995 ( 2.028 0.000 1.056) 2.286 4.012 ( -0.001 0.000 -1.561) 1.561 4.016 ( -1.060 0.000 -0.858) 1.363 4.071 ( -0.619 0.000 -3.165) 3.225 4.084 ( -3.834 0.000 -1.362) 4.069 4.109 ( 0.831 0.000 1.727) 1.916 4.146 ( -1.883 0.000 1.205) 2.235 4.188 ( -4.729 0.000 -0.852) 4.805 4.255 ( 0.045 0.000 2.089) 2.090 4.282 ( -0.178 0.000 2.636) 2.642 4.295 ( -1.522 0.000 -0.361) 1.564 4.369 ( 1.437 0.000 0.474) 1.513 4.396 ( -0.342 0.000 -1.186) 1.235 4.429 ( -1.038 0.000 -2.784) 2.971 4.458 ( 0.019 0.000 0.813) 0.814 4.506 ( 1.833 0.000 -1.691) 2.494 4.524 ( 2.405 0.000 -0.982) 2.598 4.565 ( -4.249 0.000 1.872) 4.643 4.586 ( -0.687 0.000 1.447) 1.602 4.621 ( 0.944 0.000 -0.367) 1.013 4.635 ( -1.276 0.000 0.986) 1.613 4.764 ( 1.481 0.000 -1.863) 2.380 4.783 ( 1.188 0.000 -0.923) 1.505 4.830 ( 0.154 0.000 0.215) 0.264 4.850 ( -0.081 0.000 3.187) 3.188 4.865 ( 1.127 0.000 -3.055) 3.256 4.878 ( 0.552 0.000 1.453) 1.555 4.899 ( -2.094 0.000 0.189) 2.102 4.957 ( -1.145 0.000 1.959) 2.270 4.960 ( -0.871 0.000 -0.220) 0.898 5.004 ( -0.009 0.000 0.457) 0.457 5.030 ( -0.795 0.000 -3.601) 3.688 5.074 ( 0.253 0.000 0.871) 0.907 5.082 ( -0.477 0.000 -1.086) 1.186 5.091 ( 0.003 0.000 -0.039) 0.039 5.164 ( 0.049 0.000 -0.606) 0.608 5.215 ( 3.072 0.000 1.984) 3.657 5.250 ( 0.831 0.000 -2.445) 2.582 5.299 ( -0.947 0.000 -1.350) 1.649 5.306 ( 1.990 0.000 0.059) 1.990 5.342 ( -1.346 0.000 -1.483) 2.003 5.419 ( -0.867 0.000 0.688) 1.107 5.426 ( 0.566 0.000 1.485) 1.589 5.550 ( 0.268 0.000 2.882) 2.894 5.557 ( 0.092 0.000 -0.545) 0.553 5.584 ( -1.132 0.000 -2.560) 2.799 5.702 ( 2.631 0.000 0.926) 2.789 5.775 ( 1.898 0.000 -0.538) 1.973 5.781 ( 0.752 0.000 2.538) 2.647 5.796 ( -0.570 0.000 1.190) 1.319 5.842 ( 0.928 0.000 -0.645) 1.130 5.893 ( -1.524 0.000 1.675) 2.264 5.921 ( 0.281 0.000 -3.632) 3.643 6.084 ( 3.273 0.000 -4.076) 5.228 6.117 ( -2.562 0.000 4.656) 5.315 6.174 ( 0.270 0.000 0.325) 0.423 6.209 ( 1.987 0.000 0.707) 2.109 6.223 ( 3.055 0.000 0.281) 3.068 6.266 ( -0.434 0.000 0.790) 0.902 6.287 ( 1.352 0.000 -3.191) 3.466 6.351 ( -1.955 0.000 0.401) 1.995 6.423 ( -3.312 0.000 4.547) 5.625 6.458 ( -0.742 0.000 -3.996) 4.064 6.463 ( 0.837 0.000 2.226) 2.378 6.502 ( -0.639 0.000 -2.018) 2.117 6.624 ( 1.837 0.000 1.641) 2.463 6.624 ( -0.357 0.000 -1.109) 1.165 6.666 ( 1.038 0.000 -2.789) 2.976 6.689 ( 1.523 0.000 0.552) 1.620 6.790 ( -1.673 0.000 -0.001) 1.673 6.848 ( -0.181 0.000 0.243) 0.303 6.887 ( -0.288 0.000 -0.705) 0.761 6.901 ( -0.394 0.000 0.607) 0.724 6.957 ( 0.102 0.000 -0.606) 0.614 6.979 ( 0.558 0.000 1.847) 1.929 6.982 ( 1.294 0.000 2.944) 3.216 7.029 ( -1.082 0.000 0.379) 1.147 7.077 ( -2.582 0.000 -2.196) 3.390 7.124 ( -0.893 0.000 1.385) 1.648 7.180 ( -1.744 0.000 -2.813) 3.310 7.226 ( 0.155 0.000 -0.499) 0.522 7.272 ( -0.042 0.000 -1.389) 1.390 7.301 ( -0.013 0.000 0.471) 0.472 7.332 ( 2.108 0.000 1.134) 2.394 7.402 ( 1.440 0.000 0.861) 1.678 7.405 ( 1.106 0.000 -0.445) 1.192 7.432 ( 0.337 0.000 -0.914) 0.975 7.456 ( -0.627 0.000 -0.231) 0.668 7.516 ( 0.109 0.000 2.559) 2.561 7.545 ( 0.193 0.000 0.674) 0.701 7.604 ( 0.169 0.000 -1.317) 1.328 7.671 ( -0.556 0.000 -0.886) 1.046 7.745 ( 1.217 0.000 2.408) 2.698 7.753 ( 1.718 0.000 1.335) 2.176 7.833 ( -1.721 0.000 -0.587) 1.818 7.872 ( 0.921 0.000 -1.589) 1.837 7.900 ( -2.721 0.000 -1.524) 3.119 7.921 ( -1.418 0.000 0.410) 1.476 7.987 ( -0.031 0.000 0.709) 0.710 7.989 ( 0.436 0.000 -0.141) 0.458 8.096 ( 1.938 0.000 -0.031) 1.938 8.104 ( 0.285 0.000 -0.940) 0.982 8.121 ( -1.898 0.000 -0.547) 1.975 8.192 ( -3.129 0.000 0.281) 3.142 8.209 ( -0.990 0.000 1.394) 1.710 8.250 ( -0.027 0.000 1.647) 1.648 8.270 ( 0.838 0.000 -1.934) 2.108 8.305 ( 1.331 0.000 -0.493) 1.420 8.450 ( 0.283 0.000 1.063) 1.099 8.528 ( 0.029 0.000 -1.506) 1.506 8.534 ( 0.895 0.000 -0.090) 0.899 8.715 ( 0.611 0.000 0.608) 0.862 8.734 ( -1.985 0.000 2.099) 2.889 8.776 ( -0.684 0.000 -1.127) 1.318 8.797 ( 0.256 0.000 -1.293) 1.318 9.074 ( 0.027 0.000 -0.653) 0.653 9.080 ( 1.636 0.000 0.957) 1.896 9.161 ( -0.743 0.000 0.013) 0.743 9.262 ( 2.887 0.000 -1.567) 3.285 9.297 ( -1.489 0.000 1.087) 1.843 9.320 ( 0.934 0.000 0.244) 0.965 11.464 ( -0.757 0.000 -0.301) 0.814 11.474 ( -0.806 0.000 0.415) 0.907 11.599 ( 0.793 0.000 -0.079) 0.797 11.623 ( 0.322 0.000 0.008) 0.323 11.678 ( 0.096 0.000 0.099) 0.138 11.696 ( 0.322 0.000 0.018) 0.322 11.764 ( 0.617 0.000 -0.127) 0.630 11.769 ( 0.694 0.000 -0.032) 0.695 12.091 ( -0.009 0.000 0.243) 0.243 12.093 ( 0.089 0.000 -0.460) 0.468 12.099 ( 0.155 0.000 0.128) 0.201 12.132 ( 0.168 0.000 0.116) 0.204 14.548 ( 0.605 0.000 -0.758) 0.970 14.550 ( 3.163 0.000 1.203) 3.384 14.650 ( -2.915 0.000 -1.465) 3.262 14.701 ( 1.033 0.000 1.031) 1.460 14.788 ( -0.370 0.000 -0.578) 0.686 14.840 ( 0.319 0.000 0.292) 0.433 14.864 ( 0.398 0.000 -0.926) 1.008 14.892 ( 0.974 0.000 -0.235) 1.002 15.109 ( 0.650 0.000 0.745) 0.989 15.139 ( 0.330 0.000 2.072) 2.098 15.164 ( 0.145 0.000 -1.172) 1.181 15.188 ( -0.831 0.000 -1.217) 1.474 15.433 ( -1.565 0.000 -0.228) 1.581 15.501 ( -1.043 0.000 2.798) 2.987 15.544 ( -0.653 0.000 -0.364) 0.748 15.548 ( -0.358 0.000 -0.248) 0.435 15.931 ( 0.110 0.000 0.084) 0.139 16.012 ( 0.088 0.000 -0.033) 0.094 16.144 ( 0.328 0.000 -0.823) 0.886 16.229 ( -0.894 0.000 0.989) 1.333 16.366 ( -0.053 0.000 -0.204) 0.211 16.437 ( 0.287 0.000 -0.101) 0.304 16.481 ( 0.630 0.000 -0.537) 0.828 16.540 ( 1.109 0.000 0.774) 1.352 16.576 ( 0.292 0.000 -0.487) 0.568 16.639 ( -0.785 0.000 0.348) 0.858 16.672 ( -0.501 0.000 0.642) 0.814 16.714 ( -1.379 0.000 -0.719) 1.555 16.837 ( 0.489 0.000 0.875) 1.003 16.865 ( -0.335 0.000 -0.322) 0.464 17.097 ( -0.216 0.000 -0.476) 0.523 17.187 ( -0.792 0.000 -0.768) 1.103 17.934 ( 0.650 0.000 0.373) 0.749 17.984 ( -0.538 0.000 -0.450) 0.702 18.029 ( -0.048 0.000 -0.582) 0.584 18.095 ( 0.329 0.000 -0.194) 0.382 ======================= Grid point 5 (4/24) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.368 ( 0.000 19.704 0.000) 19.704 0.473 ( 0.000 25.337 0.000) 25.337 0.663 ( 0.000 33.506 0.000) 33.506 1.023 ( 0.000 4.496 0.000) 4.496 1.248 ( 0.000 3.214 0.000) 3.214 1.262 ( 0.000 -0.718 0.000) 0.718 1.365 ( 0.000 -9.929 0.000) 9.929 1.482 ( 0.000 -6.660 0.000) 6.660 1.521 ( 0.000 -0.807 0.000) 0.807 1.572 ( 0.000 -3.285 0.000) 3.285 1.620 ( 0.000 -2.012 0.000) 2.012 1.667 ( 0.000 -2.176 0.000) 2.176 1.728 ( 0.000 -3.649 0.000) 3.649 1.737 ( 0.000 -3.184 0.000) 3.184 1.866 ( 0.000 0.393 0.000) 0.393 1.900 ( 0.000 -8.413 0.000) 8.413 2.007 ( 0.000 5.828 0.000) 5.828 2.017 ( 0.000 3.115 0.000) 3.115 2.042 ( 0.000 0.564 0.000) 0.564 2.123 ( 0.000 -5.621 0.000) 5.621 2.147 ( 0.000 0.530 0.000) 0.530 2.177 ( 0.000 2.802 0.000) 2.802 2.203 ( 0.000 -1.195 0.000) 1.195 2.220 ( 0.000 0.005 0.000) 0.005 2.263 ( 0.000 -0.882 0.000) 0.882 2.291 ( 0.000 -1.626 0.000) 1.626 2.368 ( 0.000 -1.058 0.000) 1.058 2.401 ( 0.000 0.414 0.000) 0.414 2.416 ( 0.000 -3.844 0.000) 3.844 2.451 ( 0.000 -0.891 0.000) 0.891 2.474 ( 0.000 0.141 0.000) 0.141 2.499 ( 0.000 -0.573 0.000) 0.573 2.538 ( 0.000 -1.288 0.000) 1.288 2.542 ( 0.000 4.017 0.000) 4.017 2.583 ( 0.000 -1.037 0.000) 1.037 2.604 ( 0.000 -0.175 0.000) 0.175 2.618 ( 0.000 -2.156 0.000) 2.156 2.658 ( 0.000 1.728 0.000) 1.728 2.718 ( 0.000 3.441 0.000) 3.441 2.723 ( 0.000 -1.367 0.000) 1.367 2.811 ( 0.000 2.697 0.000) 2.697 2.830 ( 0.000 1.172 0.000) 1.172 2.841 ( 0.000 0.302 0.000) 0.302 2.924 ( 0.000 0.480 0.000) 0.480 2.971 ( 0.000 4.609 0.000) 4.609 3.007 ( 0.000 -3.078 0.000) 3.078 3.012 ( 0.000 -0.184 0.000) 0.184 3.055 ( 0.000 3.503 0.000) 3.503 3.302 ( 0.000 1.296 0.000) 1.296 3.371 ( 0.000 3.262 0.000) 3.262 3.427 ( 0.000 -0.780 0.000) 0.780 3.460 ( 0.000 1.518 0.000) 1.518 3.705 ( 0.000 0.958 0.000) 0.958 3.766 ( 0.000 -1.619 0.000) 1.619 3.807 ( 0.000 1.827 0.000) 1.827 3.823 ( 0.000 2.454 0.000) 2.454 3.845 ( 0.000 -2.057 0.000) 2.057 3.917 ( 0.000 1.260 0.000) 1.260 3.968 ( 0.000 -0.380 0.000) 0.380 4.001 ( 0.000 -3.323 0.000) 3.323 4.018 ( 0.000 -2.624 0.000) 2.624 4.033 ( 0.000 -4.583 0.000) 4.583 4.087 ( 0.000 -2.782 0.000) 2.782 4.117 ( 0.000 -0.002 0.000) 0.002 4.133 ( 0.000 -4.799 0.000) 4.799 4.205 ( 0.000 -2.468 0.000) 2.468 4.234 ( 0.000 2.666 0.000) 2.666 4.295 ( 0.000 -0.291 0.000) 0.291 4.304 ( 0.000 0.633 0.000) 0.633 4.323 ( 0.000 -1.989 0.000) 1.989 4.352 ( 0.000 3.413 0.000) 3.413 4.409 ( 0.000 -1.485 0.000) 1.485 4.438 ( 0.000 -2.345 0.000) 2.345 4.465 ( 0.000 0.910 0.000) 0.910 4.474 ( 0.000 -1.354 0.000) 1.354 4.586 ( 0.000 -0.861 0.000) 0.861 4.603 ( 0.000 -3.804 0.000) 3.804 4.615 ( 0.000 2.142 0.000) 2.142 4.651 ( 0.000 -0.446 0.000) 0.446 4.688 ( 0.000 0.891 0.000) 0.891 4.714 ( 0.000 1.543 0.000) 1.543 4.731 ( 0.000 -0.685 0.000) 0.685 4.764 ( 0.000 -3.244 0.000) 3.244 4.845 ( 0.000 1.264 0.000) 1.264 4.854 ( 0.000 -0.152 0.000) 0.152 4.919 ( 0.000 -1.938 0.000) 1.938 4.945 ( 0.000 -1.955 0.000) 1.955 4.945 ( 0.000 3.770 0.000) 3.770 4.979 ( 0.000 0.878 0.000) 0.878 5.023 ( 0.000 0.438 0.000) 0.438 5.067 ( 0.000 5.294 0.000) 5.294 5.097 ( 0.000 0.685 0.000) 0.685 5.097 ( 0.000 1.631 0.000) 1.631 5.186 ( 0.000 3.572 0.000) 3.572 5.203 ( 0.000 0.588 0.000) 0.588 5.225 ( 0.000 -1.934 0.000) 1.934 5.248 ( 0.000 4.601 0.000) 4.601 5.288 ( 0.000 0.058 0.000) 0.058 5.291 ( 0.000 -2.326 0.000) 2.326 5.386 ( 0.000 -0.895 0.000) 0.895 5.397 ( 0.000 3.480 0.000) 3.480 5.430 ( 0.000 1.114 0.000) 1.114 5.471 ( 0.000 2.251 0.000) 2.251 5.589 ( 0.000 -0.147 0.000) 0.147 5.609 ( 0.000 -2.550 0.000) 2.550 5.675 ( 0.000 -0.668 0.000) 0.668 5.698 ( 0.000 -1.109 0.000) 1.109 5.783 ( 0.000 1.233 0.000) 1.233 5.797 ( 0.000 4.861 0.000) 4.861 5.846 ( 0.000 5.139 0.000) 5.139 5.847 ( 0.000 0.564 0.000) 0.564 5.910 ( 0.000 -0.915 0.000) 0.915 5.993 ( 0.000 -3.451 0.000) 3.451 6.092 ( 0.000 -3.860 0.000) 3.860 6.123 ( 0.000 -0.053 0.000) 0.053 6.147 ( 0.000 -0.083 0.000) 0.083 6.233 ( 0.000 1.268 0.000) 1.268 6.240 ( 0.000 1.690 0.000) 1.690 6.300 ( 0.000 -0.061 0.000) 0.061 6.394 ( 0.000 -0.547 0.000) 0.547 6.418 ( 0.000 -1.310 0.000) 1.310 6.424 ( 0.000 -2.541 0.000) 2.541 6.474 ( 0.000 -3.699 0.000) 3.699 6.515 ( 0.000 1.919 0.000) 1.919 6.560 ( 0.000 -1.701 0.000) 1.701 6.627 ( 0.000 1.132 0.000) 1.132 6.682 ( 0.000 -1.105 0.000) 1.105 6.727 ( 0.000 0.078 0.000) 0.078 6.831 ( 0.000 -3.973 0.000) 3.973 6.858 ( 0.000 -3.142 0.000) 3.142 6.886 ( 0.000 2.737 0.000) 2.737 6.897 ( 0.000 1.898 0.000) 1.898 6.921 ( 0.000 0.927 0.000) 0.927 6.961 ( 0.000 3.307 0.000) 3.307 7.005 ( 0.000 -1.831 0.000) 1.831 7.056 ( 0.000 -2.160 0.000) 2.160 7.132 ( 0.000 -2.938 0.000) 2.938 7.138 ( 0.000 -1.905 0.000) 1.905 7.181 ( 0.000 -2.439 0.000) 2.439 7.235 ( 0.000 -1.637 0.000) 1.637 7.248 ( 0.000 -3.574 0.000) 3.574 7.259 ( 0.000 0.798 0.000) 0.798 7.295 ( 0.000 -2.412 0.000) 2.412 7.305 ( 0.000 -0.074 0.000) 0.074 7.373 ( 0.000 2.353 0.000) 2.353 7.453 ( 0.000 1.404 0.000) 1.404 7.470 ( 0.000 1.895 0.000) 1.895 7.473 ( 0.000 1.240 0.000) 1.240 7.551 ( 0.000 4.393 0.000) 4.393 7.678 ( 0.000 -2.854 0.000) 2.854 7.705 ( 0.000 0.041 0.000) 0.041 7.722 ( 0.000 -0.739 0.000) 0.739 7.788 ( 0.000 -2.025 0.000) 2.025 7.821 ( 0.000 2.617 0.000) 2.617 7.919 ( 0.000 -0.313 0.000) 0.313 7.945 ( 0.000 0.563 0.000) 0.563 7.973 ( 0.000 -1.554 0.000) 1.554 7.976 ( 0.000 0.641 0.000) 0.641 8.075 ( 0.000 1.119 0.000) 1.119 8.076 ( 0.000 -1.378 0.000) 1.378 8.142 ( 0.000 -0.740 0.000) 0.740 8.142 ( 0.000 0.028 0.000) 0.028 8.160 ( 0.000 0.765 0.000) 0.765 8.190 ( 0.000 0.179 0.000) 0.179 8.206 ( 0.000 -0.001 0.000) 0.001 8.326 ( 0.000 4.796 0.000) 4.796 8.328 ( 0.000 -1.873 0.000) 1.873 8.429 ( 0.000 3.816 0.000) 3.816 8.520 ( 0.000 -1.516 0.000) 1.516 8.603 ( 0.000 -1.780 0.000) 1.780 8.680 ( 0.000 -0.953 0.000) 0.953 8.715 ( 0.000 0.366 0.000) 0.366 8.765 ( 0.000 -0.035 0.000) 0.035 8.813 ( 0.000 -0.061 0.000) 0.061 8.985 ( 0.000 1.649 0.000) 1.649 9.080 ( 0.000 -0.762 0.000) 0.762 9.170 ( 0.000 0.792 0.000) 0.792 9.179 ( 0.000 1.042 0.000) 1.042 9.264 ( 0.000 0.515 0.000) 0.515 9.296 ( 0.000 -0.901 0.000) 0.901 11.514 ( 0.000 -0.432 0.000) 0.432 11.533 ( 0.000 -0.538 0.000) 0.538 11.542 ( 0.000 0.867 0.000) 0.867 11.588 ( 0.000 -0.547 0.000) 0.547 11.679 ( 0.000 0.724 0.000) 0.724 11.703 ( 0.000 0.656 0.000) 0.656 11.717 ( 0.000 0.164 0.000) 0.164 11.733 ( 0.000 -0.293 0.000) 0.293 12.088 ( 0.000 0.055 0.000) 0.055 12.093 ( 0.000 -0.134 0.000) 0.134 12.099 ( 0.000 0.458 0.000) 0.458 12.120 ( 0.000 -0.108 0.000) 0.108 14.495 ( 0.000 1.048 0.000) 1.048 14.564 ( 0.000 2.921 0.000) 2.921 14.581 ( 0.000 -0.981 0.000) 0.981 14.772 ( 0.000 -2.687 0.000) 2.687 14.809 ( 0.000 0.204 0.000) 0.204 14.834 ( 0.000 -0.392 0.000) 0.392 14.861 ( 0.000 0.928 0.000) 0.928 14.867 ( 0.000 0.534 0.000) 0.534 15.085 ( 0.000 0.212 0.000) 0.212 15.125 ( 0.000 2.161 0.000) 2.161 15.151 ( 0.000 -1.602 0.000) 1.602 15.223 ( 0.000 -0.330 0.000) 0.330 15.338 ( 0.000 2.659 0.000) 2.659 15.509 ( 0.000 0.015 0.000) 0.015 15.536 ( 0.000 -2.960 0.000) 2.960 15.567 ( 0.000 -1.084 0.000) 1.084 15.944 ( 0.000 1.975 0.000) 1.975 16.077 ( 0.000 0.879 0.000) 0.879 16.089 ( 0.000 -1.979 0.000) 1.979 16.133 ( 0.000 -0.288 0.000) 0.288 16.396 ( 0.000 -0.692 0.000) 0.692 16.436 ( 0.000 0.572 0.000) 0.572 16.449 ( 0.000 -0.450 0.000) 0.450 16.517 ( 0.000 1.142 0.000) 1.142 16.571 ( 0.000 -5.537 0.000) 5.537 16.587 ( 0.000 1.213 0.000) 1.213 16.709 ( 0.000 -1.054 0.000) 1.054 16.743 ( 0.000 1.033 0.000) 1.033 16.915 ( 0.000 2.274 0.000) 2.274 17.028 ( 0.000 -0.604 0.000) 0.604 17.092 ( 0.000 0.368 0.000) 0.368 17.117 ( 0.000 -0.299 0.000) 0.299 17.960 ( 0.000 1.387 0.000) 1.387 18.033 ( 0.000 0.013 0.000) 0.013 18.036 ( 0.000 -0.089 0.000) 0.089 18.044 ( 0.000 -0.896 0.000) 0.896 ======================= Grid point 6 (5/24) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.471 ( 10.194 10.256 8.584) 16.817 0.581 ( 8.633 16.933 5.667) 19.834 0.906 ( 10.681 15.324 2.066) 18.793 1.001 ( 1.936 4.196 -5.329) 7.053 1.261 ( 4.728 0.856 -6.493) 8.078 1.289 ( -1.772 1.162 -0.617) 2.207 1.352 ( 1.942 -2.267 2.379) 3.817 1.384 ( -4.412 -1.546 -1.790) 5.006 1.506 ( -7.196 -4.121 -4.284) 9.334 1.576 ( 0.473 -4.612 0.637) 4.680 1.617 ( 1.199 -3.124 2.428) 4.134 1.632 ( -5.487 -3.101 -2.405) 6.746 1.693 ( -1.028 -0.466 4.615) 4.751 1.707 ( -4.349 -0.950 4.391) 6.253 1.814 ( -3.824 0.774 1.362) 4.132 1.862 ( -2.547 -10.382 0.124) 10.691 1.919 ( -5.651 5.617 0.308) 7.973 1.996 ( -5.203 0.706 1.048) 5.354 2.027 ( 1.403 0.416 -3.842) 4.111 2.075 ( -2.059 -4.404 0.196) 4.866 2.145 ( -2.258 -4.999 -0.859) 5.552 2.158 ( -0.045 0.237 -1.690) 1.707 2.184 ( -2.129 -0.995 2.528) 3.451 2.204 ( 1.747 -0.106 -0.182) 1.760 2.241 ( -4.274 -1.451 1.156) 4.659 2.319 ( 0.782 3.843 -0.191) 3.927 2.350 ( 0.073 -0.758 -1.715) 1.876 2.386 ( 1.116 1.767 -2.999) 3.655 2.400 ( -1.228 0.084 1.554) 1.982 2.438 ( -3.644 1.586 2.843) 4.886 2.450 ( -0.760 -0.950 0.483) 1.309 2.455 ( -1.274 1.432 -1.717) 2.573 2.539 ( -1.290 -1.389 -1.310) 2.305 2.581 ( 3.385 1.205 1.783) 4.011 2.614 ( 1.065 0.119 -3.739) 3.890 2.644 ( 0.421 3.014 -0.575) 3.097 2.685 ( -2.088 -0.614 -0.334) 2.202 2.699 ( 2.755 4.603 -0.237) 5.369 2.711 ( 3.961 -0.570 0.602) 4.047 2.749 ( 4.969 0.392 0.071) 4.985 2.785 ( -1.141 2.191 1.011) 2.669 2.818 ( 3.373 -2.354 0.753) 4.181 2.876 ( -0.379 0.307 -2.801) 2.844 2.918 ( -1.205 0.571 -1.368) 1.910 2.939 ( 0.033 0.589 2.926) 2.985 2.989 ( -1.298 0.876 -0.343) 1.603 3.034 ( 0.870 -0.257 0.644) 1.112 3.090 ( 2.723 1.450 1.615) 3.482 3.316 ( -0.178 1.145 0.903) 1.469 3.328 ( -1.858 3.674 -0.599) 4.160 3.420 ( -1.585 -0.527 -1.024) 1.960 3.505 ( 2.151 -0.380 1.704) 2.770 3.702 ( -1.095 1.167 3.429) 3.784 3.739 ( -2.414 -0.207 0.514) 2.476 3.819 ( 0.917 0.299 -0.302) 1.011 3.835 ( 1.252 2.070 1.957) 3.112 3.876 ( 0.769 -2.845 -1.248) 3.200 3.913 ( 0.300 -0.834 -1.079) 1.396 3.928 ( -1.400 0.777 -0.973) 1.873 3.983 ( 0.247 -3.104 -0.308) 3.129 4.036 ( -0.776 -3.556 2.094) 4.199 4.054 ( -0.032 -2.361 -0.007) 2.361 4.064 ( -2.624 -2.014 1.110) 3.489 4.088 ( -2.753 -0.672 -1.348) 3.138 4.095 ( -1.325 -4.797 -1.005) 5.078 4.146 ( -0.633 -2.652 2.138) 3.465 4.247 ( -2.328 -1.264 -3.394) 4.306 4.274 ( -1.234 2.292 4.045) 4.810 4.315 ( 0.219 -0.091 0.016) 0.238 4.342 ( 0.394 1.512 -1.511) 2.174 4.372 ( -0.391 1.083 0.440) 1.232 4.394 ( 0.241 0.942 -1.550) 1.830 4.420 ( -0.260 -0.329 0.967) 1.054 4.465 ( 1.637 -0.276 0.492) 1.731 4.505 ( 1.826 1.666 -1.798) 3.057 4.554 ( -3.710 -1.482 -1.114) 4.147 4.593 ( 0.505 -0.507 -0.566) 0.913 4.614 ( -0.098 0.696 2.103) 2.217 4.641 ( -2.905 1.785 0.351) 3.428 4.671 ( -1.072 -0.119 0.944) 1.434 4.711 ( 1.609 0.397 -0.585) 1.757 4.752 ( 0.799 -2.916 1.203) 3.254 4.769 ( 1.315 -0.750 -2.110) 2.597 4.805 ( -0.799 -0.110 1.225) 1.467 4.888 ( -0.112 -1.089 0.398) 1.164 4.920 ( -0.523 -1.368 -0.403) 1.519 4.933 ( -0.926 0.099 0.136) 0.941 4.958 ( 0.283 0.840 0.425) 0.984 4.982 ( 1.102 0.262 -1.010) 1.518 5.024 ( -1.915 4.405 -1.170) 4.944 5.057 ( 1.457 -0.010 0.156) 1.465 5.100 ( -0.196 -0.218 -1.091) 1.129 5.110 ( 1.908 2.925 -1.974) 4.011 5.134 ( -1.470 2.812 -0.615) 3.232 5.157 ( -2.376 2.598 -0.303) 3.534 5.210 ( -1.509 -1.009 -1.786) 2.547 5.242 ( 0.692 0.472 -0.032) 0.838 5.270 ( 0.218 0.113 1.549) 1.568 5.325 ( 0.444 2.177 -1.928) 2.942 5.372 ( 0.294 -0.819 0.453) 0.981 5.406 ( -0.337 3.346 0.896) 3.480 5.432 ( -0.588 0.064 0.222) 0.632 5.514 ( 1.098 0.716 2.124) 2.496 5.555 ( -1.440 -1.922 -1.912) 3.070 5.632 ( 2.679 0.821 1.790) 3.325 5.649 ( -0.739 -1.102 -1.062) 1.700 5.743 ( 1.291 1.100 1.937) 2.574 5.787 ( 1.180 3.857 -1.121) 4.186 5.804 ( 0.460 2.783 1.843) 3.369 5.855 ( 1.066 3.746 0.605) 3.941 5.897 ( 1.462 -0.093 1.955) 2.443 5.927 ( 1.608 -1.036 -1.506) 2.434 6.017 ( 2.681 -2.241 -0.593) 3.544 6.095 ( -0.212 -3.438 1.387) 3.713 6.126 ( 0.351 -0.669 0.785) 1.089 6.158 ( 1.713 0.217 -1.846) 2.528 6.197 ( -0.719 -0.396 -1.307) 1.544 6.263 ( 1.506 1.527 -1.386) 2.554 6.294 ( -0.519 0.131 -0.707) 0.887 6.378 ( -1.923 -0.435 2.082) 2.867 6.421 ( -1.099 -2.443 2.867) 3.924 6.434 ( -0.451 -2.791 1.817) 3.361 6.464 ( 0.162 -3.414 -2.630) 4.313 6.524 ( -1.164 -0.201 -0.367) 1.237 6.563 ( 2.937 -0.090 -1.153) 3.157 6.602 ( -0.894 1.434 -1.439) 2.220 6.686 ( 0.622 -0.905 -2.345) 2.589 6.702 ( -0.759 0.468 -0.742) 1.160 6.798 ( -2.056 -3.004 0.311) 3.653 6.859 ( 0.530 -0.674 0.157) 0.872 6.897 ( 0.179 1.865 1.034) 2.140 6.925 ( -0.740 0.598 0.689) 1.174 6.931 ( -0.098 2.478 1.158) 2.737 6.958 ( 1.293 0.149 -1.007) 1.645 6.992 ( -0.197 0.553 0.399) 0.710 7.045 ( -0.512 -0.873 -0.509) 1.133 7.105 ( -1.826 -1.993 1.638) 3.161 7.145 ( -1.179 -0.937 -2.066) 2.557 7.191 ( 2.405 -2.630 0.644) 3.622 7.235 ( 1.062 -1.099 -1.831) 2.385 7.260 ( 1.255 -1.708 1.207) 2.439 7.294 ( 0.032 -0.637 -0.017) 0.638 7.317 ( 0.382 -0.661 0.573) 0.955 7.335 ( 1.590 -1.166 1.076) 2.246 7.364 ( 0.108 2.619 0.297) 2.638 7.435 ( 1.138 1.016 -3.255) 3.595 7.478 ( 0.260 0.525 1.260) 1.389 7.487 ( 0.460 1.636 0.471) 1.763 7.550 ( -1.628 1.776 2.790) 3.686 7.657 ( -0.952 -3.843 -1.540) 4.248 7.668 ( -2.306 2.266 -0.554) 3.280 7.718 ( -1.890 0.168 2.442) 3.093 7.737 ( 0.363 1.906 -0.236) 1.955 7.810 ( 1.218 -1.479 -0.520) 1.985 7.869 ( -1.245 0.804 -0.306) 1.513 7.947 ( 0.731 0.774 -3.809) 3.955 7.977 ( -0.343 -1.638 -1.223) 2.072 8.001 ( -0.069 1.278 -0.495) 1.372 8.015 ( -1.708 0.668 -0.119) 1.838 8.047 ( -3.947 -1.267 3.517) 5.436 8.109 ( -0.184 -0.684 -0.045) 0.710 8.159 ( 0.660 0.568 -1.372) 1.624 8.185 ( -1.786 -1.590 2.898) 3.757 8.226 ( 1.154 1.027 2.208) 2.695 8.254 ( 0.908 -0.626 -4.137) 4.282 8.307 ( 2.169 -1.159 -0.725) 2.564 8.337 ( -1.891 5.016 1.127) 5.477 8.434 ( 0.787 1.538 0.316) 1.756 8.516 ( -0.304 -0.928 -1.285) 1.614 8.558 ( -2.433 2.165 0.223) 3.265 8.630 ( 1.302 -3.969 -1.572) 4.463 8.755 ( -0.568 -4.728 -1.148) 4.899 8.771 ( 0.415 0.970 1.518) 1.849 8.794 ( -1.505 0.206 1.028) 1.834 9.031 ( 2.806 1.520 1.571) 3.557 9.111 ( 0.216 0.096 -0.156) 0.284 9.176 ( 0.100 0.509 -0.021) 0.519 9.217 ( 3.623 0.852 -2.344) 4.398 9.283 ( 1.540 0.174 0.365) 1.592 9.306 ( 0.189 -0.447 1.227) 1.319 11.490 ( -1.545 -0.252 -0.118) 1.570 11.500 ( -1.922 -0.046 0.339) 1.953 11.572 ( 1.642 0.088 -0.255) 1.664 11.603 ( 0.813 -0.629 0.290) 1.068 11.682 ( 0.218 0.965 0.098) 0.994 11.701 ( 0.416 1.036 -0.103) 1.121 11.742 ( 0.875 -0.372 -0.331) 1.007 11.745 ( 1.619 -0.094 0.124) 1.627 12.091 ( 0.129 0.066 0.100) 0.176 12.093 ( 0.048 -0.036 -0.118) 0.132 12.098 ( 0.156 0.516 -0.116) 0.551 12.123 ( 0.228 -0.185 0.134) 0.323 14.504 ( 1.744 2.023 0.459) 2.710 14.560 ( 1.210 1.792 -1.826) 2.830 14.637 ( 1.911 -0.932 2.003) 2.921 14.743 ( -1.824 0.586 -1.433) 2.392 14.799 ( -0.158 -0.391 -1.569) 1.625 14.834 ( -0.421 0.470 -0.131) 0.645 14.849 ( 1.444 -0.579 -0.811) 1.754 14.867 ( 0.816 0.118 -1.496) 1.708 15.098 ( 0.549 0.727 1.299) 1.587 15.128 ( 0.164 1.599 0.878) 1.832 15.164 ( 0.005 -0.575 0.716) 0.918 15.216 ( -0.524 -0.278 -1.354) 1.479 15.441 ( 0.881 -3.612 7.307) 8.199 15.478 ( -2.099 -0.561 -0.207) 2.182 15.536 ( -0.312 -1.638 -0.018) 1.667 15.557 ( -0.709 -1.185 -0.405) 1.439 15.946 ( 0.128 1.976 0.171) 1.987 16.035 ( -0.543 2.005 -0.585) 2.158 16.129 ( 0.712 -1.551 -0.982) 1.969 16.166 ( 0.743 -4.459 2.345) 5.092 16.389 ( -0.408 0.908 0.065) 0.997 16.433 ( 0.489 0.358 -1.043) 1.206 16.461 ( 1.009 -0.594 -0.505) 1.275 16.515 ( -0.191 0.548 0.616) 0.846 16.563 ( -0.754 -4.266 0.891) 4.422 16.589 ( 0.218 -0.700 -0.987) 1.229 16.701 ( -0.156 0.466 0.184) 0.524 16.777 ( 1.307 0.687 1.114) 1.850 16.893 ( -3.877 4.985 -1.266) 6.440 16.904 ( -1.657 3.142 0.968) 3.682 17.096 ( -0.695 -1.411 -1.571) 2.223 17.164 ( 0.832 -4.138 -0.752) 4.288 17.931 ( -0.519 1.597 -0.209) 1.692 17.996 ( -1.300 -0.752 -0.940) 1.772 18.046 ( 0.630 0.576 0.003) 0.854 18.083 ( 1.237 -0.336 -0.871) 1.550 ======================= Grid point 7 (6/24) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.748 ( 8.197 4.149 -0.618) 9.208 0.852 ( 11.558 4.930 5.570) 13.744 0.924 ( 1.191 1.706 -1.062) 2.336 1.135 ( 0.146 2.312 2.045) 3.090 1.158 ( -1.577 3.337 -1.263) 3.901 1.235 ( -7.505 -3.412 -4.295) 9.296 1.352 ( 3.022 -1.077 -1.430) 3.512 1.401 ( -2.173 -6.510 -0.223) 6.867 1.405 ( 0.547 2.875 0.545) 2.977 1.500 ( -5.709 2.563 0.608) 6.287 1.518 ( 2.532 -4.789 -9.328) 10.787 1.600 ( -5.914 -0.521 7.346) 9.445 1.639 ( -3.256 0.391 1.396) 3.565 1.743 ( -2.406 3.620 3.951) 5.874 1.793 ( 4.302 -5.966 -4.073) 8.408 1.817 ( -2.519 -1.362 6.767) 7.348 1.876 ( -0.262 -3.782 0.947) 3.907 1.910 ( -2.076 0.751 -1.188) 2.507 2.046 ( 3.499 -1.874 -3.843) 5.525 2.065 ( 0.552 -4.591 -0.490) 4.650 2.090 ( -2.733 -5.033 2.526) 6.259 2.119 ( -3.497 -0.938 0.151) 3.624 2.190 ( 2.957 1.250 -2.032) 3.799 2.196 ( 0.757 -1.365 0.140) 1.567 2.249 ( 0.061 -1.076 4.621) 4.745 2.297 ( -0.901 1.516 -0.825) 1.947 2.334 ( -1.533 2.279 -0.115) 2.749 2.350 ( -1.411 2.042 -0.031) 2.483 2.393 ( 1.135 4.359 -1.173) 4.655 2.408 ( -1.248 2.097 -0.569) 2.506 2.452 ( -1.553 1.011 -0.329) 1.882 2.460 ( -2.205 1.350 -0.360) 2.611 2.480 ( 2.555 4.409 -0.726) 5.148 2.526 ( -4.950 1.728 -2.629) 5.865 2.595 ( -1.728 0.552 -0.331) 1.844 2.631 ( -0.421 2.307 0.142) 2.350 2.708 ( 3.046 0.309 1.609) 3.459 2.746 ( -0.436 0.499 -0.702) 0.965 2.759 ( 1.777 0.885 -3.301) 3.852 2.779 ( 1.565 1.790 0.244) 2.390 2.815 ( 0.055 0.994 0.378) 1.065 2.859 ( -1.676 2.356 0.366) 2.914 2.901 ( 4.755 0.151 0.199) 4.762 2.920 ( 1.789 -2.115 -3.317) 4.322 2.943 ( 0.540 -0.391 2.810) 2.888 2.998 ( -0.200 -0.140 0.736) 0.775 3.065 ( 0.652 -2.639 1.163) 2.957 3.160 ( 2.092 0.414 1.454) 2.581 3.275 ( -1.834 1.220 0.315) 2.225 3.320 ( -0.641 5.931 0.473) 5.984 3.353 ( -3.035 -1.728 -0.941) 3.617 3.541 ( 0.501 -1.368 0.644) 1.593 3.698 ( -0.745 0.867 -0.628) 1.305 3.748 ( 2.475 0.821 3.308) 4.212 3.819 ( -1.003 0.950 -1.316) 1.907 3.863 ( -0.584 -3.353 -0.977) 3.541 3.883 ( 2.121 -1.456 1.737) 3.104 3.908 ( 0.173 -1.926 2.265) 2.979 3.924 ( 0.193 -3.354 -0.749) 3.442 3.975 ( -2.621 -1.886 -1.822) 3.707 3.987 ( -2.396 -3.813 -0.233) 4.509 4.035 ( -0.380 -3.777 -0.666) 3.854 4.051 ( 0.092 -0.072 1.147) 1.153 4.055 ( 2.572 -2.049 -3.010) 4.458 4.088 ( -1.174 -2.616 1.829) 3.401 4.138 ( -1.958 -0.683 2.103) 2.953 4.168 ( -2.632 2.983 -1.012) 4.105 4.270 ( -0.983 -0.565 1.158) 1.621 4.304 ( -0.724 1.586 0.210) 1.757 4.323 ( 0.278 2.686 -1.212) 2.960 4.360 ( -0.750 -0.505 0.089) 0.908 4.418 ( -0.367 1.860 -1.259) 2.276 4.436 ( 1.563 0.716 0.854) 1.919 4.467 ( -0.370 0.582 0.293) 0.749 4.507 ( -0.190 0.123 -2.994) 3.002 4.509 ( 0.329 -0.806 0.727) 1.134 4.574 ( -2.702 1.773 0.264) 3.243 4.613 ( 2.498 1.977 -2.414) 3.997 4.632 ( -1.024 1.723 3.091) 3.684 4.676 ( 0.359 0.933 0.714) 1.229 4.728 ( 1.528 -2.824 -1.332) 3.477 4.759 ( -0.023 -3.023 0.335) 3.042 4.782 ( 0.973 -0.152 -1.080) 1.462 4.844 ( 1.470 -1.594 1.351) 2.555 4.884 ( -0.155 -2.918 -0.638) 2.991 4.897 ( -1.718 0.201 -0.050) 1.731 4.901 ( -1.239 2.104 1.945) 3.121 4.930 ( -1.577 0.760 -1.977) 2.641 5.002 ( 0.493 2.181 2.473) 3.334 5.039 ( 1.185 2.324 1.930) 3.245 5.062 ( -0.930 2.495 -2.599) 3.721 5.071 ( -0.257 -0.324 -0.299) 0.510 5.092 ( -0.783 2.596 0.552) 2.767 5.113 ( -0.159 1.760 -3.539) 3.955 5.166 ( 1.698 1.125 -0.012) 2.037 5.204 ( 1.732 -1.933 0.637) 2.672 5.258 ( 0.779 -1.021 0.541) 1.394 5.272 ( -2.236 -0.003 -1.467) 2.674 5.295 ( -0.398 -1.379 -1.085) 1.799 5.373 ( -0.632 3.298 0.019) 3.358 5.410 ( -1.057 -0.500 0.398) 1.235 5.415 ( 0.322 -0.965 1.221) 1.590 5.536 ( 0.176 -2.326 -0.082) 2.334 5.561 ( 1.267 2.014 2.105) 3.177 5.606 ( -0.859 2.030 -2.792) 3.557 5.720 ( 2.414 1.336 2.067) 3.447 5.785 ( 0.828 0.347 0.119) 0.906 5.787 ( 0.903 1.529 -0.217) 1.789 5.852 ( 0.485 3.125 2.759) 4.197 5.869 ( 0.445 4.299 0.581) 4.360 5.899 ( -1.131 -0.045 0.692) 1.327 5.931 ( 0.355 1.240 -3.907) 4.114 6.076 ( 3.582 -1.530 -3.266) 5.083 6.101 ( -1.450 -2.750 4.177) 5.207 6.158 ( 0.613 -0.844 -0.882) 1.366 6.165 ( 1.454 -1.557 0.789) 2.272 6.205 ( 1.067 -4.643 0.804) 4.831 6.254 ( -1.807 -1.538 -0.453) 2.416 6.288 ( 0.938 3.054 -1.081) 3.373 6.353 ( -1.182 -0.612 0.541) 1.437 6.402 ( -3.166 -2.153 1.814) 4.237 6.421 ( 0.339 -5.157 -2.296) 5.655 6.460 ( 0.907 -0.760 1.516) 1.923 6.500 ( -0.496 -0.184 -1.534) 1.622 6.575 ( -0.246 -0.888 -0.659) 1.133 6.632 ( 1.293 0.403 1.197) 1.807 6.664 ( 0.536 0.440 -2.001) 2.118 6.723 ( 1.879 1.048 -1.082) 2.408 6.765 ( -1.141 -2.498 0.412) 2.777 6.866 ( -1.706 1.226 -0.217) 2.112 6.881 ( 0.885 -0.748 1.079) 1.584 6.919 ( -0.448 1.547 0.582) 1.713 6.948 ( 0.020 1.102 -0.694) 1.303 6.979 ( 0.505 -0.958 1.170) 1.594 6.992 ( 0.126 -0.287 0.934) 0.985 7.044 ( 0.195 1.798 0.754) 1.960 7.080 ( -0.016 1.313 -1.788) 2.219 7.120 ( -1.587 0.031 1.292) 2.046 7.206 ( -1.197 1.784 -1.082) 2.406 7.233 ( 0.840 0.463 -0.784) 1.239 7.269 ( -0.642 -1.405 -0.449) 1.609 7.296 ( 0.206 0.137 -0.646) 0.692 7.314 ( 0.786 -1.289 1.096) 1.866 7.381 ( 1.425 -2.160 0.274) 2.602 7.399 ( 1.386 -0.334 0.499) 1.510 7.437 ( -0.084 0.785 -0.375) 0.874 7.471 ( -0.314 0.691 -0.590) 0.961 7.515 ( 0.851 -1.055 0.963) 1.663 7.532 ( -1.001 0.053 0.563) 1.150 7.633 ( -0.272 -3.500 -0.731) 3.586 7.646 ( -0.102 3.627 -0.444) 3.656 7.726 ( 0.630 -0.866 1.732) 2.036 7.770 ( 1.385 -0.134 2.187) 2.592 7.808 ( -0.612 -0.566 -1.448) 1.671 7.861 ( -0.177 -1.510 0.321) 1.553 7.901 ( -2.379 0.401 -2.356) 3.372 7.940 ( -0.861 1.029 -0.480) 1.425 7.968 ( 0.550 -0.496 -0.137) 0.753 8.000 ( -1.731 -0.428 -0.192) 1.793 8.042 ( 0.090 -0.444 0.754) 0.880 8.102 ( -0.132 -0.503 -0.390) 0.650 8.156 ( 0.352 0.013 0.238) 0.425 8.189 ( 0.995 0.364 0.546) 1.192 8.245 ( -1.987 1.931 0.662) 2.849 8.268 ( 1.291 -1.014 -1.678) 2.347 8.279 ( -1.330 1.294 1.167) 2.192 8.318 ( -0.178 3.635 -0.578) 3.685 8.453 ( 0.221 0.200 0.635) 0.701 8.509 ( 0.211 -1.161 -0.742) 1.394 8.544 ( 0.259 0.772 -0.316) 0.874 8.634 ( -0.347 -6.092 0.329) 6.111 8.735 ( -0.367 -4.520 0.319) 4.546 8.755 ( -1.213 0.876 -0.193) 1.508 8.799 ( 0.265 0.818 0.185) 0.880 9.086 ( 1.054 0.732 0.519) 1.384 9.121 ( 0.997 2.905 0.814) 3.178 9.161 ( -0.812 0.794 -1.293) 1.721 9.268 ( 2.491 0.049 -1.698) 3.015 9.300 ( -0.610 0.743 1.160) 1.507 9.326 ( 0.801 0.419 0.392) 0.985 11.464 ( -0.687 -0.020 -0.204) 0.717 11.473 ( -0.830 -0.148 0.300) 0.895 11.596 ( 0.643 -0.275 -0.060) 0.702 11.616 ( 0.275 -0.699 0.082) 0.756 11.688 ( 0.232 1.128 0.024) 1.152 11.712 ( 0.398 1.461 0.004) 1.514 11.755 ( 0.491 -0.684 -0.194) 0.864 11.772 ( 0.769 0.011 0.050) 0.771 12.092 ( -0.007 0.084 0.094) 0.126 12.094 ( 0.083 0.102 -0.243) 0.276 12.102 ( 0.143 0.336 0.071) 0.371 12.129 ( 0.150 -0.272 0.098) 0.326 14.555 ( 1.762 1.250 -0.259) 2.176 14.583 ( 2.020 2.317 0.897) 3.202 14.648 ( -1.889 0.209 -1.371) 2.344 14.719 ( 0.222 1.753 1.176) 2.122 14.783 ( -0.267 -0.673 -0.921) 1.172 14.838 ( 0.500 -0.264 0.185) 0.595 14.856 ( -0.178 -0.684 -0.902) 1.146 14.879 ( 0.811 -1.528 -0.175) 1.739 15.116 ( 0.393 0.756 0.597) 1.040 15.148 ( 0.320 0.846 1.801) 2.015 15.165 ( 0.065 0.007 -0.536) 0.540 15.188 ( -0.824 -0.076 -1.116) 1.389 15.433 ( -1.135 0.169 -0.471) 1.241 15.484 ( -0.217 -1.613 2.950) 3.370 15.526 ( -0.163 -1.358 -0.943) 1.662 15.538 ( -0.715 -1.197 -0.038) 1.395 15.950 ( 0.087 1.990 0.128) 1.996 16.030 ( 0.014 1.785 -0.125) 1.789 16.130 ( 0.217 -1.509 -0.704) 1.679 16.177 ( -0.297 -4.447 0.751) 4.520 16.383 ( -0.093 1.673 -0.234) 1.692 16.439 ( 0.428 0.203 -0.360) 0.594 16.475 ( 0.468 -0.552 -0.134) 0.736 16.525 ( 0.493 -1.357 0.547) 1.544 16.556 ( -0.444 -2.675 0.634) 2.785 16.579 ( -0.369 -2.636 -0.649) 2.740 16.717 ( 1.618 2.510 -0.068) 2.987 16.769 ( -2.312 4.208 0.237) 4.807 16.851 ( -0.195 0.844 -0.337) 0.929 16.895 ( -0.226 3.610 0.912) 3.730 17.069 ( -0.583 -2.872 -0.912) 3.069 17.154 ( -0.546 -3.328 -0.289) 3.384 17.936 ( 0.568 0.352 0.201) 0.698 17.967 ( -0.873 -0.933 -0.442) 1.351 18.053 ( 0.174 1.533 -0.238) 1.561 18.092 ( 0.228 -0.322 -0.188) 0.437 ======================= Grid point 10 (7/24) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.720 ( 0.000 18.376 0.000) 18.376 0.920 ( 0.000 22.638 0.000) 22.638 1.007 ( 0.000 -8.005 0.000) 8.005 1.124 ( 0.000 5.916 0.000) 5.916 1.209 ( 0.000 -4.533 0.000) 4.533 1.271 ( 0.000 -6.512 0.000) 6.512 1.333 ( 0.000 4.985 0.000) 4.985 1.345 ( 0.000 7.115 0.000) 7.115 1.487 ( 0.000 -3.913 0.000) 3.913 1.495 ( 0.000 -7.964 0.000) 7.964 1.580 ( 0.000 -0.631 0.000) 0.631 1.610 ( 0.000 -2.396 0.000) 2.396 1.688 ( 0.000 5.743 0.000) 5.743 1.713 ( 0.000 0.724 0.000) 0.724 1.771 ( 0.000 -4.930 0.000) 4.930 1.896 ( 0.000 0.138 0.000) 0.138 1.968 ( 0.000 -11.171 0.000) 11.171 1.996 ( 0.000 -3.662 0.000) 3.662 2.059 ( 0.000 -1.696 0.000) 1.696 2.074 ( 0.000 -1.695 0.000) 1.695 2.138 ( 0.000 1.462 0.000) 1.462 2.176 ( 0.000 4.002 0.000) 4.002 2.190 ( 0.000 0.452 0.000) 0.452 2.256 ( 0.000 3.814 0.000) 3.814 2.276 ( 0.000 -2.709 0.000) 2.709 2.311 ( 0.000 -2.956 0.000) 2.956 2.324 ( 0.000 4.070 0.000) 4.070 2.374 ( 0.000 -1.159 0.000) 1.159 2.434 ( 0.000 2.081 0.000) 2.081 2.456 ( 0.000 1.614 0.000) 1.614 2.470 ( 0.000 -1.455 0.000) 1.455 2.483 ( 0.000 -1.124 0.000) 1.124 2.515 ( 0.000 -0.634 0.000) 0.634 2.538 ( 0.000 -1.998 0.000) 1.998 2.571 ( 0.000 -1.799 0.000) 1.799 2.584 ( 0.000 -1.969 0.000) 1.969 2.625 ( 0.000 3.481 0.000) 3.481 2.680 ( 0.000 -2.355 0.000) 2.355 2.710 ( 0.000 2.934 0.000) 2.934 2.748 ( 0.000 -0.523 0.000) 0.523 2.864 ( 0.000 2.342 0.000) 2.342 2.865 ( 0.000 1.861 0.000) 1.861 2.869 ( 0.000 2.810 0.000) 2.810 2.933 ( 0.000 -2.720 0.000) 2.720 2.953 ( 0.000 0.248 0.000) 0.248 2.986 ( 0.000 -2.155 0.000) 2.155 3.065 ( 0.000 3.807 0.000) 3.807 3.095 ( 0.000 0.493 0.000) 0.493 3.336 ( 0.000 2.648 0.000) 2.648 3.392 ( 0.000 -2.863 0.000) 2.863 3.440 ( 0.000 3.332 0.000) 3.332 3.475 ( 0.000 -0.355 0.000) 0.355 3.720 ( 0.000 0.200 0.000) 0.200 3.731 ( 0.000 -1.467 0.000) 1.467 3.827 ( 0.000 0.905 0.000) 0.905 3.845 ( 0.000 0.945 0.000) 0.945 3.878 ( 0.000 3.068 0.000) 3.068 3.925 ( 0.000 -1.327 0.000) 1.327 3.931 ( 0.000 -2.734 0.000) 2.734 3.953 ( 0.000 -2.003 0.000) 2.003 3.965 ( 0.000 1.422 0.000) 1.422 4.020 ( 0.000 -0.011 0.000) 0.011 4.042 ( 0.000 -3.291 0.000) 3.291 4.052 ( 0.000 -1.309 0.000) 1.309 4.122 ( 0.000 0.148 0.000) 0.148 4.141 ( 0.000 -2.723 0.000) 2.723 4.229 ( 0.000 -0.664 0.000) 0.664 4.259 ( 0.000 -3.226 0.000) 3.226 4.332 ( 0.000 1.979 0.000) 1.979 4.343 ( 0.000 2.200 0.000) 2.200 4.373 ( 0.000 -0.876 0.000) 0.876 4.388 ( 0.000 -1.077 0.000) 1.077 4.436 ( 0.000 1.538 0.000) 1.538 4.452 ( 0.000 -0.082 0.000) 0.082 4.472 ( 0.000 0.190 0.000) 0.190 4.519 ( 0.000 -4.674 0.000) 4.674 4.595 ( 0.000 1.695 0.000) 1.695 4.633 ( 0.000 -1.877 0.000) 1.877 4.636 ( 0.000 1.975 0.000) 1.975 4.690 ( 0.000 -3.297 0.000) 3.297 4.728 ( 0.000 1.882 0.000) 1.882 4.744 ( 0.000 0.090 0.000) 0.090 4.767 ( 0.000 3.752 0.000) 3.752 4.828 ( 0.000 -2.626 0.000) 2.626 4.858 ( 0.000 0.532 0.000) 0.532 4.879 ( 0.000 -1.901 0.000) 1.901 4.919 ( 0.000 -0.175 0.000) 0.175 4.939 ( 0.000 -1.758 0.000) 1.758 5.042 ( 0.000 3.039 0.000) 3.039 5.050 ( 0.000 1.755 0.000) 1.755 5.101 ( 0.000 0.321 0.000) 0.321 5.113 ( 0.000 -0.214 0.000) 0.214 5.155 ( 0.000 2.300 0.000) 2.300 5.169 ( 0.000 -1.521 0.000) 1.521 5.223 ( 0.000 -0.311 0.000) 0.311 5.226 ( 0.000 -1.566 0.000) 1.566 5.258 ( 0.000 2.118 0.000) 2.118 5.284 ( 0.000 -0.633 0.000) 0.633 5.353 ( 0.000 3.802 0.000) 3.802 5.375 ( 0.000 -0.150 0.000) 0.150 5.462 ( 0.000 3.037 0.000) 3.037 5.500 ( 0.000 0.170 0.000) 0.170 5.509 ( 0.000 7.399 0.000) 7.399 5.584 ( 0.000 0.206 0.000) 0.206 5.587 ( 0.000 -0.506 0.000) 0.506 5.633 ( 0.000 -4.204 0.000) 4.204 5.702 ( 0.000 2.483 0.000) 2.483 5.800 ( 0.000 -5.995 0.000) 5.995 5.802 ( 0.000 1.307 0.000) 1.307 5.843 ( 0.000 -2.431 0.000) 2.431 5.913 ( 0.000 2.845 0.000) 2.845 5.935 ( 0.000 3.193 0.000) 3.193 5.970 ( 0.000 1.818 0.000) 1.818 6.010 ( 0.000 -4.168 0.000) 4.168 6.124 ( 0.000 0.661 0.000) 0.661 6.143 ( 0.000 -0.745 0.000) 0.745 6.263 ( 0.000 1.879 0.000) 1.879 6.276 ( 0.000 1.163 0.000) 1.163 6.299 ( 0.000 0.130 0.000) 0.130 6.331 ( 0.000 -3.776 0.000) 3.776 6.388 ( 0.000 -1.836 0.000) 1.836 6.390 ( 0.000 -1.449 0.000) 1.449 6.462 ( 0.000 2.263 0.000) 2.263 6.511 ( 0.000 -2.563 0.000) 2.563 6.567 ( 0.000 2.775 0.000) 2.775 6.630 ( 0.000 -3.651 0.000) 3.651 6.679 ( 0.000 4.113 0.000) 4.113 6.728 ( 0.000 0.178 0.000) 0.178 6.764 ( 0.000 -2.739 0.000) 2.739 6.779 ( 0.000 -4.982 0.000) 4.982 6.926 ( 0.000 1.490 0.000) 1.490 6.940 ( 0.000 0.521 0.000) 0.521 6.954 ( 0.000 3.475 0.000) 3.475 6.982 ( 0.000 -0.014 0.000) 0.014 7.001 ( 0.000 0.203 0.000) 0.203 7.012 ( 0.000 -2.409 0.000) 2.409 7.091 ( 0.000 -1.043 0.000) 1.043 7.099 ( 0.000 -1.738 0.000) 1.738 7.151 ( 0.000 0.092 0.000) 0.092 7.185 ( 0.000 -2.998 0.000) 2.998 7.214 ( 0.000 0.280 0.000) 0.280 7.245 ( 0.000 -2.613 0.000) 2.613 7.289 ( 0.000 1.517 0.000) 1.517 7.304 ( 0.000 -0.258 0.000) 0.258 7.416 ( 0.000 2.336 0.000) 2.336 7.454 ( 0.000 -1.366 0.000) 1.366 7.493 ( 0.000 0.672 0.000) 0.672 7.494 ( 0.000 0.611 0.000) 0.611 7.618 ( 0.000 2.440 0.000) 2.440 7.644 ( 0.000 -1.002 0.000) 1.002 7.713 ( 0.000 0.464 0.000) 0.464 7.714 ( 0.000 -0.112 0.000) 0.112 7.764 ( 0.000 0.369 0.000) 0.369 7.810 ( 0.000 -3.337 0.000) 3.337 7.938 ( 0.000 2.964 0.000) 2.964 7.949 ( 0.000 0.431 0.000) 0.431 7.960 ( 0.000 -0.443 0.000) 0.443 7.993 ( 0.000 -1.176 0.000) 1.176 8.041 ( 0.000 -0.724 0.000) 0.724 8.057 ( 0.000 -1.053 0.000) 1.053 8.152 ( 0.000 0.428 0.000) 0.428 8.160 ( 0.000 -0.171 0.000) 0.171 8.183 ( 0.000 1.969 0.000) 1.969 8.203 ( 0.000 -0.477 0.000) 0.477 8.218 ( 0.000 3.336 0.000) 3.336 8.284 ( 0.000 -3.097 0.000) 3.097 8.405 ( 0.000 3.779 0.000) 3.779 8.466 ( 0.000 -2.418 0.000) 2.418 8.507 ( 0.000 2.718 0.000) 2.718 8.561 ( 0.000 -2.693 0.000) 2.693 8.675 ( 0.000 0.636 0.000) 0.636 8.698 ( 0.000 -1.589 0.000) 1.589 8.783 ( 0.000 1.537 0.000) 1.537 8.806 ( 0.000 -0.814 0.000) 0.814 9.022 ( 0.000 2.164 0.000) 2.164 9.059 ( 0.000 -1.634 0.000) 1.634 9.187 ( 0.000 0.835 0.000) 0.835 9.193 ( 0.000 0.278 0.000) 0.278 9.273 ( 0.000 0.371 0.000) 0.371 9.281 ( 0.000 -0.606 0.000) 0.606 11.512 ( 0.000 0.235 0.000) 0.235 11.521 ( 0.000 -0.674 0.000) 0.674 11.558 ( 0.000 0.895 0.000) 0.895 11.575 ( 0.000 -0.858 0.000) 0.858 11.696 ( 0.000 1.062 0.000) 1.062 11.713 ( 0.000 -0.678 0.000) 0.678 11.717 ( 0.000 0.755 0.000) 0.755 11.727 ( 0.000 -0.357 0.000) 0.357 12.089 ( 0.000 0.084 0.000) 0.084 12.091 ( 0.000 -0.108 0.000) 0.108 12.109 ( 0.000 0.508 0.000) 0.508 12.116 ( 0.000 -0.321 0.000) 0.321 14.522 ( 0.000 1.767 0.000) 1.767 14.556 ( 0.000 -1.746 0.000) 1.746 14.633 ( 0.000 4.245 0.000) 4.245 14.710 ( 0.000 -3.949 0.000) 3.949 14.816 ( 0.000 0.478 0.000) 0.478 14.825 ( 0.000 -0.503 0.000) 0.503 14.874 ( 0.000 0.405 0.000) 0.405 14.875 ( 0.000 0.255 0.000) 0.255 15.097 ( 0.000 1.010 0.000) 1.010 15.121 ( 0.000 -1.548 0.000) 1.548 15.170 ( 0.000 2.436 0.000) 2.436 15.207 ( 0.000 -1.478 0.000) 1.478 15.398 ( 0.000 3.703 0.000) 3.703 15.470 ( 0.000 -3.986 0.000) 3.986 15.517 ( 0.000 0.912 0.000) 0.912 15.541 ( 0.000 -1.561 0.000) 1.561 15.990 ( 0.000 2.847 0.000) 2.847 16.043 ( 0.000 -2.851 0.000) 2.851 16.099 ( 0.000 1.389 0.000) 1.389 16.122 ( 0.000 -0.959 0.000) 0.959 16.400 ( 0.000 1.344 0.000) 1.344 16.435 ( 0.000 -1.377 0.000) 1.377 16.446 ( 0.000 0.576 0.000) 0.576 16.474 ( 0.000 -3.423 0.000) 3.423 16.553 ( 0.000 1.948 0.000) 1.948 16.588 ( 0.000 -1.331 0.000) 1.331 16.710 ( 0.000 1.284 0.000) 1.284 16.739 ( 0.000 -1.278 0.000) 1.278 16.963 ( 0.000 2.688 0.000) 2.688 17.006 ( 0.000 -1.835 0.000) 1.835 17.100 ( 0.000 0.521 0.000) 0.521 17.110 ( 0.000 -0.482 0.000) 0.482 17.991 ( 0.000 1.782 0.000) 1.782 18.022 ( 0.000 -1.504 0.000) 1.504 18.033 ( 0.000 0.028 0.000) 0.028 18.034 ( 0.000 -0.075 0.000) 0.075 ======================= Grid point 11 (8/24) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.750 ( 2.134 16.594 5.433) 17.591 0.921 ( -1.088 17.354 5.653) 18.284 1.000 ( -1.393 -6.426 -0.666) 6.609 1.087 ( 0.482 6.339 -5.072) 8.133 1.216 ( -0.574 -6.440 0.998) 6.542 1.258 ( 0.975 -6.140 -4.499) 7.674 1.310 ( 0.015 -1.000 1.024) 1.431 1.383 ( -6.691 -7.742 -1.197) 10.302 1.463 ( 4.486 4.646 -4.345) 7.784 1.503 ( -1.234 -0.034 -4.107) 4.288 1.552 ( 2.487 -0.147 2.086) 3.250 1.592 ( 0.579 -3.710 -0.504) 3.789 1.686 ( -3.602 -0.125 0.747) 3.681 1.711 ( -4.307 -2.499 -0.192) 4.983 1.764 ( 1.511 7.081 4.034) 8.288 1.855 ( -1.839 1.885 -1.351) 2.960 1.932 ( -2.548 -5.308 0.581) 5.917 1.974 ( -0.126 -5.061 -4.118) 6.526 2.030 ( -7.849 4.613 3.282) 9.678 2.045 ( -3.217 0.427 0.737) 3.328 2.080 ( -3.024 -1.621 3.506) 4.905 2.131 ( -3.965 -4.262 2.897) 6.502 2.174 ( -1.306 0.580 0.015) 1.429 2.201 ( -5.530 -1.394 0.042) 5.703 2.235 ( 0.874 2.577 0.599) 2.786 2.299 ( 0.148 -3.226 -0.648) 3.294 2.375 ( 1.579 1.275 -1.277) 2.398 2.400 ( 2.664 -0.452 1.521) 3.101 2.426 ( 1.054 2.174 -0.133) 2.420 2.437 ( -1.707 2.143 1.107) 2.955 2.475 ( -1.217 -1.222 1.952) 2.605 2.485 ( 2.784 -1.917 -2.164) 4.014 2.526 ( 0.646 3.699 -0.926) 3.868 2.583 ( 4.416 -1.421 -0.359) 4.653 2.601 ( 1.897 0.246 -4.202) 4.617 2.634 ( -1.201 -2.248 -1.305) 2.863 2.695 ( 2.064 0.237 2.113) 2.964 2.711 ( -0.080 -0.455 0.749) 0.880 2.754 ( 6.234 1.760 -0.831) 6.531 2.776 ( 5.728 -1.054 0.361) 5.835 2.800 ( -0.034 3.850 -1.121) 4.010 2.829 ( -1.491 1.545 -0.928) 2.339 2.903 ( -2.468 0.623 -0.878) 2.692 2.912 ( -0.629 -0.883 -1.798) 2.099 2.945 ( 1.122 1.263 2.670) 3.159 2.996 ( 0.408 -2.961 1.157) 3.205 3.042 ( -2.097 4.407 -0.443) 4.900 3.105 ( 0.768 -1.303 0.187) 1.523 3.338 ( -1.441 1.772 1.299) 2.627 3.369 ( -1.611 -0.913 0.680) 1.972 3.441 ( -0.284 3.256 -0.856) 3.379 3.488 ( 1.086 -1.610 0.783) 2.094 3.717 ( -1.196 0.375 2.905) 3.164 3.727 ( -1.325 -0.660 3.149) 3.479 3.816 ( -0.950 -0.072 -2.307) 2.496 3.841 ( 0.386 -1.894 -0.880) 2.124 3.879 ( -0.433 2.416 1.636) 2.950 3.904 ( -0.615 0.727 -1.802) 2.038 3.922 ( -1.827 -1.477 -0.488) 2.399 3.936 ( -0.473 -1.649 -1.024) 1.998 3.976 ( -1.637 -1.977 2.741) 3.755 3.997 ( -2.667 -3.234 1.143) 4.345 4.029 ( -0.228 -0.470 -0.360) 0.634 4.041 ( -0.361 -1.015 -0.118) 1.083 4.086 ( -1.318 0.776 -1.618) 2.226 4.112 ( -0.863 -1.550 0.381) 1.814 4.233 ( 0.836 0.633 -1.035) 1.473 4.277 ( 1.536 -3.244 -0.191) 3.594 4.323 ( -1.343 1.845 -0.138) 2.287 4.342 ( -1.933 -0.455 -1.562) 2.526 4.403 ( 2.600 1.574 0.991) 3.197 4.413 ( 0.993 1.901 0.711) 2.260 4.434 ( 1.499 0.669 -1.283) 2.084 4.464 ( 0.359 -0.954 0.106) 1.025 4.508 ( 0.688 -1.192 -0.940) 1.667 4.518 ( 1.781 -2.025 -0.242) 2.708 4.591 ( 0.567 1.734 0.327) 1.853 4.618 ( 0.381 0.223 -2.044) 2.091 4.658 ( 1.104 0.023 1.328) 1.727 4.681 ( -0.208 -2.528 1.274) 2.839 4.704 ( -3.600 1.961 -0.646) 4.150 4.726 ( -1.002 -0.627 -1.261) 1.728 4.770 ( 0.986 2.036 -0.311) 2.283 4.817 ( -0.394 -1.806 0.506) 1.916 4.854 ( -1.148 0.787 0.677) 1.548 4.896 ( -0.397 -2.131 1.309) 2.532 4.916 ( 0.676 -0.157 -0.019) 0.694 4.945 ( 0.474 -2.377 -1.201) 2.705 5.020 ( -0.094 3.011 -1.456) 3.346 5.059 ( 0.002 -0.537 -1.241) 1.353 5.082 ( -1.515 1.969 -0.218) 2.494 5.101 ( -0.309 -0.260 -0.381) 0.555 5.153 ( 0.842 1.576 -0.399) 1.831 5.169 ( 0.366 -0.210 -0.205) 0.469 5.180 ( -1.540 0.819 -1.782) 2.493 5.215 ( -1.321 -2.504 0.348) 2.852 5.244 ( -2.282 3.786 -0.697) 4.476 5.274 ( -0.489 0.147 1.659) 1.736 5.366 ( -0.821 0.448 1.936) 2.150 5.390 ( 0.167 -0.104 1.324) 1.339 5.437 ( -2.425 4.664 -1.039) 5.358 5.481 ( 0.043 1.642 -1.326) 2.111 5.521 ( -2.479 -0.107 -0.542) 2.540 5.542 ( 1.512 0.120 0.852) 1.740 5.634 ( 2.457 1.751 1.392) 3.323 5.665 ( 2.203 2.358 3.301) 4.616 5.728 ( 1.072 -2.097 -1.295) 2.687 5.807 ( 2.074 -5.845 1.141) 6.307 5.856 ( 2.295 1.944 0.826) 3.119 5.878 ( 0.346 0.055 2.278) 2.305 5.920 ( 0.664 3.392 0.446) 3.485 5.931 ( 1.624 2.325 -2.019) 3.481 5.987 ( 1.945 -0.593 -0.861) 2.208 6.014 ( -0.153 -4.301 1.461) 4.545 6.135 ( 0.439 1.255 1.647) 2.117 6.158 ( 1.190 -0.552 -1.061) 1.687 6.213 ( -2.130 2.168 -2.448) 3.902 6.258 ( -1.259 -1.587 -0.807) 2.181 6.307 ( -0.069 -0.166 0.144) 0.230 6.324 ( -0.563 -3.802 -0.687) 3.904 6.367 ( -1.397 0.229 0.043) 1.416 6.400 ( 0.496 -2.785 -1.490) 3.197 6.452 ( -1.239 2.185 1.388) 2.870 6.496 ( -1.395 -2.297 0.960) 2.854 6.582 ( 2.027 2.059 -0.785) 2.994 6.634 ( 1.117 -3.217 -1.063) 3.568 6.664 ( -0.133 3.789 -2.234) 4.401 6.725 ( 0.466 -0.125 -1.573) 1.645 6.741 ( -1.814 -0.681 1.401) 2.391 6.807 ( 0.804 -4.490 1.089) 4.690 6.928 ( -0.893 0.782 0.270) 1.217 6.934 ( 0.191 -0.044 -0.080) 0.212 6.965 ( 0.878 1.763 -0.115) 1.973 6.984 ( -0.736 2.029 0.386) 2.192 7.002 ( 0.635 0.228 -1.100) 1.290 7.027 ( 1.309 -1.328 -0.560) 1.947 7.094 ( 0.634 1.049 0.875) 1.506 7.129 ( 1.559 -2.208 -0.453) 2.741 7.156 ( 1.216 0.830 -0.919) 1.735 7.201 ( 1.474 -3.350 -0.549) 3.701 7.226 ( 0.942 0.416 2.598) 2.795 7.260 ( 1.282 -2.830 3.291) 4.526 7.310 ( 0.376 0.470 0.225) 0.642 7.320 ( 0.795 -0.548 0.370) 1.034 7.412 ( 0.364 2.007 -1.888) 2.780 7.440 ( 0.445 -0.790 -3.257) 3.380 7.503 ( 0.200 1.558 -0.059) 1.572 7.514 ( 0.663 0.813 1.557) 1.878 7.573 ( -3.861 0.804 1.141) 4.106 7.597 ( -2.822 -2.168 -2.091) 4.127 7.694 ( -0.874 0.967 1.445) 1.946 7.708 ( -1.228 -0.788 2.044) 2.511 7.776 ( -0.158 1.516 -0.936) 1.789 7.796 ( 1.153 -0.650 -0.227) 1.343 7.896 ( -2.710 2.530 -0.120) 3.710 7.948 ( -1.375 -1.921 -1.727) 2.926 7.955 ( 0.344 0.282 -0.933) 1.034 7.977 ( -1.373 -2.218 -0.147) 2.613 8.033 ( -0.475 1.652 -0.024) 1.719 8.049 ( -0.673 -0.115 0.707) 0.983 8.124 ( -1.675 1.687 1.061) 2.603 8.155 ( -2.237 -1.602 1.997) 3.400 8.189 ( 0.868 1.960 -1.782) 2.787 8.221 ( 1.312 -1.766 -2.957) 3.686 8.248 ( 1.589 1.085 0.983) 2.161 8.277 ( 1.311 -1.754 0.877) 2.359 8.422 ( -0.302 3.471 0.738) 3.561 8.460 ( -0.488 -0.121 -0.575) 0.763 8.504 ( 0.019 0.966 -0.263) 1.001 8.551 ( -1.057 -3.185 0.692) 3.427 8.611 ( -3.034 2.482 -1.018) 4.050 8.671 ( -2.292 -4.031 -0.109) 4.638 8.787 ( -0.106 0.695 0.979) 1.205 8.795 ( -0.984 -0.180 0.909) 1.352 9.063 ( 2.406 1.772 1.338) 3.273 9.094 ( 1.669 -1.496 1.139) 2.514 9.203 ( 1.777 1.746 -1.992) 3.190 9.225 ( 2.978 -0.357 -2.356) 3.813 9.290 ( 1.254 0.373 0.662) 1.466 9.296 ( 1.042 -0.419 1.164) 1.618 11.489 ( -1.504 0.190 -0.056) 1.517 11.495 ( -1.714 -0.379 0.117) 1.759 11.577 ( 1.109 0.450 0.052) 1.197 11.589 ( 0.784 -0.783 0.262) 1.139 11.704 ( 0.572 1.313 -0.055) 1.433 11.720 ( 0.929 0.473 0.042) 1.044 11.732 ( 0.690 -0.366 -0.319) 0.844 11.740 ( 1.327 -0.503 0.057) 1.420 12.092 ( 0.163 0.040 0.054) 0.176 12.093 ( 0.126 -0.032 -0.028) 0.133 12.109 ( 0.085 0.589 -0.056) 0.598 12.118 ( 0.147 -0.413 0.036) 0.440 14.542 ( 1.773 1.944 0.243) 2.642 14.571 ( 1.699 -0.943 -0.946) 2.161 14.657 ( 1.447 3.068 1.381) 3.662 14.718 ( 0.819 -2.892 -0.507) 3.048 14.804 ( -0.944 0.795 -0.612) 1.378 14.822 ( -0.333 -1.095 0.454) 1.231 14.856 ( -0.379 0.751 -1.597) 1.805 14.866 ( -0.057 -0.294 -1.665) 1.692 15.118 ( 0.780 1.325 1.952) 2.485 15.144 ( 0.649 -1.317 1.663) 2.218 15.165 ( -0.479 2.014 0.446) 2.118 15.199 ( -0.582 -1.496 -0.482) 1.676 15.423 ( 1.156 1.181 1.833) 2.468 15.458 ( -0.530 -1.889 -0.950) 2.180 15.515 ( -0.516 -0.051 0.683) 0.858 15.531 ( -0.806 -1.436 -0.206) 1.660 15.994 ( 0.258 3.068 0.240) 3.088 16.049 ( 0.598 -2.045 -0.233) 2.143 16.095 ( -0.483 0.358 0.176) 0.627 16.121 ( -0.159 -1.582 -0.227) 1.606 16.408 ( 0.740 1.477 -0.237) 1.669 16.437 ( 0.983 -0.600 -1.871) 2.197 16.452 ( -0.151 -0.015 1.621) 1.628 16.477 ( 0.145 -3.197 0.338) 3.218 16.540 ( -1.060 1.637 0.131) 1.955 16.573 ( -1.105 -1.625 -0.427) 2.010 16.727 ( 1.586 2.154 -0.049) 2.675 16.766 ( 1.955 -1.707 0.344) 2.618 16.948 ( -1.671 2.526 0.430) 3.059 16.968 ( -2.727 1.253 0.744) 3.091 17.074 ( -1.730 -0.186 -1.517) 2.308 17.101 ( -0.960 -2.627 -0.057) 2.798 17.961 ( -1.324 1.492 -0.366) 2.029 17.983 ( -1.499 -0.836 -0.622) 1.826 18.056 ( 1.177 0.612 0.132) 1.333 18.070 ( 1.359 -0.880 -0.184) 1.630 ======================= Grid point 12 (9/24) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.892 ( 3.223 10.332 1.525) 10.930 0.929 ( 2.375 6.067 4.608) 7.980 1.020 ( 0.277 1.391 3.989) 4.234 1.069 ( -0.512 -7.940 2.503) 8.341 1.186 ( -1.341 1.120 -2.117) 2.746 1.219 ( 0.606 0.101 -3.882) 3.930 1.276 ( -5.244 -3.708 -4.713) 7.966 1.294 ( -1.208 -3.856 -3.383) 5.270 1.458 ( 4.049 -0.102 -3.012) 5.047 1.462 ( 5.192 -0.545 -9.242) 10.614 1.560 ( -7.266 3.164 4.826) 9.279 1.596 ( -5.501 -0.413 5.401) 7.720 1.647 ( 2.030 -0.100 0.195) 2.042 1.688 ( -1.520 -4.482 6.080) 7.705 1.761 ( 2.354 3.919 -5.615) 7.241 1.824 ( -2.064 -0.121 0.193) 2.077 1.873 ( -3.954 -0.098 0.736) 4.023 1.920 ( -1.670 0.650 0.107) 1.796 1.949 ( -1.199 -5.929 -1.056) 6.140 1.981 ( -3.015 -2.986 3.205) 5.318 2.028 ( -2.845 0.665 2.701) 3.979 2.104 ( -1.784 -3.904 1.570) 4.570 2.148 ( 0.795 -0.403 0.209) 0.915 2.172 ( 0.030 -2.130 -1.148) 2.420 2.284 ( 2.404 2.583 2.330) 4.228 2.307 ( 1.551 -0.074 -0.280) 1.578 2.398 ( -0.890 2.261 -1.265) 2.740 2.408 ( 1.339 1.909 -1.893) 3.004 2.444 ( 1.083 4.894 -0.126) 5.014 2.445 ( -0.006 0.191 2.148) 2.156 2.464 ( -1.263 0.922 2.932) 3.323 2.505 ( 1.895 1.989 -1.688) 3.225 2.538 ( -2.759 0.501 -1.876) 3.374 2.577 ( 0.117 1.161 -0.685) 1.353 2.595 ( 1.543 2.273 -3.328) 4.315 2.654 ( 0.672 -2.911 -0.323) 3.005 2.698 ( 0.240 0.385 -0.024) 0.454 2.724 ( -1.505 -2.165 -0.694) 2.727 2.776 ( 0.807 1.686 1.522) 2.410 2.803 ( 2.227 1.055 -0.831) 2.601 2.843 ( -0.929 0.638 -0.160) 1.138 2.873 ( -0.210 -2.295 -3.699) 4.358 2.911 ( 3.143 2.838 2.239) 4.790 2.947 ( 4.433 1.979 0.435) 4.874 2.970 ( 0.160 2.944 0.164) 2.953 2.996 ( -1.443 2.399 0.876) 2.933 3.013 ( 0.367 -2.616 0.864) 2.779 3.111 ( -0.702 -5.798 0.589) 5.870 3.298 ( -2.097 1.371 0.526) 2.560 3.322 ( -2.745 -1.265 0.543) 3.071 3.444 ( 0.719 5.746 -0.619) 5.824 3.511 ( 0.592 -1.944 0.186) 2.041 3.719 ( -0.269 1.447 0.895) 1.722 3.751 ( 1.171 -1.147 3.781) 4.121 3.793 ( 0.244 -1.157 -0.154) 1.193 3.830 ( -0.646 -4.219 0.587) 4.308 3.851 ( -2.499 1.154 -2.144) 3.489 3.874 ( -1.488 -1.440 -0.306) 2.093 3.894 ( 0.829 0.954 -1.861) 2.250 3.927 ( -1.717 -1.261 0.500) 2.189 3.940 ( 0.280 -3.473 -2.516) 4.298 3.951 ( -2.079 -2.903 2.279) 4.236 4.024 ( -0.468 0.880 0.603) 1.165 4.049 ( 0.629 -1.084 0.067) 1.255 4.082 ( 0.952 0.764 -0.642) 1.379 4.108 ( -0.602 -1.955 1.913) 2.801 4.243 ( -0.304 3.998 1.479) 4.274 4.270 ( -1.723 1.468 -2.213) 3.166 4.301 ( -0.543 -2.776 1.257) 3.095 4.322 ( 1.624 -1.503 -1.480) 2.662 4.395 ( -0.588 2.773 -1.524) 3.218 4.445 ( 0.091 -0.538 -0.358) 0.652 4.455 ( 0.651 1.166 0.957) 1.643 4.476 ( 1.247 1.294 1.460) 2.316 4.501 ( -0.294 0.750 -1.023) 1.302 4.521 ( -1.302 0.535 -2.985) 3.300 4.612 ( -0.608 -0.400 1.389) 1.568 4.617 ( -0.955 -0.053 -0.597) 1.128 4.650 ( 2.286 -0.214 -2.058) 3.084 4.661 ( -0.692 -2.974 -0.145) 3.057 4.688 ( 0.360 2.509 1.470) 2.930 4.737 ( 1.144 -1.505 -0.835) 2.067 4.791 ( 1.375 1.378 -0.773) 2.094 4.821 ( 0.203 -1.626 0.176) 1.648 4.838 ( -0.428 0.348 0.919) 1.072 4.881 ( -1.678 -2.787 1.609) 3.629 4.937 ( 0.559 1.076 -0.123) 1.219 4.945 ( 0.130 1.345 1.002) 1.683 5.021 ( 1.165 1.029 -0.682) 1.697 5.048 ( 0.056 -1.476 -0.916) 1.738 5.069 ( -0.327 1.150 1.225) 1.711 5.091 ( -0.340 -0.619 -0.567) 0.906 5.140 ( -0.780 2.130 -1.301) 2.615 5.162 ( -1.121 2.035 -0.900) 2.491 5.176 ( 0.548 -0.439 -0.377) 0.798 5.192 ( -0.279 -1.033 0.319) 1.116 5.204 ( -0.241 0.055 0.278) 0.372 5.260 ( -2.337 -2.858 -0.338) 3.708 5.331 ( -2.322 3.435 0.056) 4.146 5.371 ( -0.190 -1.653 1.443) 2.203 5.423 ( 0.134 3.089 -0.057) 3.093 5.475 ( 0.344 3.563 -0.224) 3.587 5.491 ( -0.663 -0.698 -0.675) 1.176 5.579 ( 0.913 -3.271 0.402) 3.419 5.675 ( 1.552 8.128 -0.753) 8.309 5.751 ( 2.512 1.899 4.467) 5.466 5.780 ( 2.323 -1.231 2.667) 3.745 5.826 ( 0.355 -0.623 -2.437) 2.540 5.855 ( -1.363 -3.133 -0.666) 3.481 5.870 ( -1.657 -0.945 -0.044) 1.908 5.943 ( 0.486 2.743 0.822) 2.904 5.990 ( 3.574 3.606 -1.251) 5.229 6.013 ( 0.818 -3.777 -1.179) 4.041 6.038 ( 0.719 -2.114 1.790) 2.861 6.144 ( -0.292 0.593 0.086) 0.666 6.159 ( -0.141 -0.428 0.054) 0.453 6.173 ( -0.579 1.100 -0.816) 1.487 6.226 ( -1.109 -2.778 -0.413) 3.019 6.304 ( -0.847 -3.520 1.621) 3.966 6.317 ( 0.691 -2.612 0.215) 2.711 6.338 ( -0.552 1.607 -1.304) 2.142 6.367 ( -1.674 -1.620 -2.225) 3.221 6.455 ( 0.415 0.844 0.805) 1.238 6.484 ( -0.405 -1.722 0.204) 1.781 6.611 ( 0.692 3.147 -0.171) 3.227 6.644 ( 0.458 0.746 -0.306) 0.927 6.654 ( 0.163 -0.745 -1.643) 1.811 6.706 ( -0.838 -3.711 -0.116) 3.807 6.755 ( 1.740 3.034 -0.054) 3.498 6.826 ( 0.463 -4.044 0.692) 4.129 6.905 ( -1.137 1.883 0.188) 2.208 6.936 ( 0.020 -0.656 0.545) 0.853 6.965 ( -0.762 0.788 0.043) 1.097 6.970 ( -0.236 0.357 0.061) 0.432 7.014 ( 0.955 2.552 -0.492) 2.769 7.054 ( 1.145 -1.381 0.081) 1.796 7.123 ( 1.192 2.699 0.324) 2.968 7.136 ( -0.300 1.284 0.387) 1.374 7.201 ( 1.843 -0.905 -0.121) 2.057 7.219 ( 0.432 -2.436 -0.150) 2.478 7.266 ( 0.222 1.504 3.022) 3.383 7.293 ( 0.369 -1.036 -0.375) 1.162 7.308 ( -0.644 0.591 -1.221) 1.501 7.332 ( 0.837 -2.398 0.320) 2.560 7.408 ( 0.195 1.162 -0.032) 1.179 7.439 ( 0.868 -2.150 -1.560) 2.795 7.467 ( -2.070 1.946 -0.812) 2.955 7.521 ( -0.932 -1.262 -0.359) 1.610 7.527 ( -0.591 0.950 0.287) 1.155 7.566 ( 0.520 -2.428 0.495) 2.532 7.706 ( 0.726 0.732 0.573) 1.179 7.717 ( 0.759 -0.528 1.422) 1.696 7.755 ( -1.961 1.864 0.270) 2.720 7.809 ( -0.061 -2.261 -0.759) 2.386 7.853 ( -1.283 2.246 0.415) 2.619 7.895 ( -0.936 -1.559 -1.037) 2.093 7.951 ( -0.062 0.733 -0.398) 0.836 7.962 ( -0.085 -0.437 -0.777) 0.895 8.021 ( -0.586 2.321 0.089) 2.395 8.048 ( -0.032 -0.306 0.642) 0.712 8.103 ( -0.757 0.723 0.198) 1.065 8.126 ( -0.749 -1.871 -0.269) 2.033 8.209 ( 1.420 0.736 -0.077) 1.601 8.229 ( 0.999 -1.945 -0.958) 2.387 8.268 ( -0.553 1.158 1.103) 1.692 8.288 ( -0.766 -0.522 -0.164) 0.941 8.401 ( -1.031 3.951 0.183) 4.087 8.448 ( -0.382 -1.161 -0.099) 1.227 8.500 ( -0.070 0.486 -0.103) 0.501 8.535 ( -0.899 -3.562 0.528) 3.712 8.573 ( -0.289 2.368 -0.650) 2.473 8.641 ( -0.504 -4.775 0.092) 4.803 8.781 ( -0.442 1.329 0.259) 1.424 8.799 ( 0.214 -0.609 0.347) 0.733 9.105 ( 0.633 1.238 0.525) 1.486 9.127 ( 0.680 -0.971 1.133) 1.640 9.212 ( 0.530 3.106 -1.554) 3.513 9.254 ( 1.235 -1.493 -1.321) 2.345 9.320 ( 0.783 0.972 0.638) 1.402 9.330 ( 0.964 -0.117 0.491) 1.088 11.465 ( -0.666 0.165 -0.046) 0.688 11.469 ( -0.769 -0.253 0.111) 0.817 11.594 ( 0.423 0.149 0.028) 0.449 11.602 ( 0.289 -0.691 0.110) 0.757 11.714 ( 0.350 1.513 -0.102) 1.556 11.738 ( 0.497 -0.659 0.012) 0.826 11.742 ( 0.488 1.116 -0.166) 1.229 11.765 ( 0.723 -0.880 0.068) 1.141 12.094 ( 0.039 0.084 -0.032) 0.098 12.095 ( 0.064 -0.007 -0.034) 0.073 12.111 ( 0.105 0.590 0.026) 0.600 12.122 ( 0.115 -0.516 0.055) 0.531 14.583 ( 1.486 1.477 -0.254) 2.111 14.602 ( 1.352 -0.416 0.246) 1.436 14.682 ( 0.004 3.317 -0.375) 3.338 14.737 ( 0.833 -1.635 1.503) 2.372 14.778 ( -0.648 1.755 -1.365) 2.315 14.824 ( 0.320 -2.102 0.226) 2.138 14.844 ( -0.381 -0.315 -0.079) 0.501 14.849 ( -0.223 -0.783 -1.083) 1.355 15.136 ( 0.023 1.304 0.336) 1.347 15.158 ( 0.020 -0.876 0.055) 0.878 15.167 ( 0.018 1.074 1.203) 1.612 15.183 ( -0.462 -0.560 -0.188) 0.750 15.441 ( -0.154 0.692 -0.602) 0.930 15.457 ( 0.660 -1.096 1.047) 1.653 15.506 ( -0.516 -0.583 -0.291) 0.831 15.513 ( -0.671 -1.194 0.275) 1.396 16.001 ( 0.167 3.444 0.198) 3.453 16.063 ( 0.831 -0.290 -0.096) 0.885 16.082 ( -0.813 -1.595 -0.003) 1.790 16.113 ( -0.257 -2.280 -0.177) 2.302 16.420 ( 0.492 2.200 -0.275) 2.271 16.446 ( 1.032 0.465 -1.410) 1.808 16.460 ( -0.264 -0.985 1.218) 1.588 16.481 ( -0.101 -2.821 0.283) 2.837 16.528 ( -0.112 0.081 0.409) 0.432 16.544 ( -1.200 -1.510 -0.375) 1.965 16.764 ( 1.735 2.441 -0.307) 3.010 16.799 ( 0.687 -0.932 0.104) 1.163 16.900 ( -1.873 4.359 -0.044) 4.744 16.962 ( 0.518 0.882 2.690) 2.878 17.015 ( -2.197 -0.482 -2.478) 3.347 17.079 ( -0.735 -4.475 -0.112) 4.536 17.946 ( -0.084 0.613 -0.044) 0.620 17.956 ( -0.772 -0.448 -0.237) 0.923 18.073 ( 0.413 0.709 -0.020) 0.821 18.084 ( 0.227 -0.533 -0.096) 0.588 ======================= Grid point 25 (10/24) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.423 ( 3.401 0.000 19.311) 19.608 0.494 ( -2.402 0.000 21.971) 22.102 0.809 ( -2.259 0.000 -13.771) 13.955 0.857 ( -8.416 0.000 30.463) 31.605 0.971 ( 1.669 0.000 -8.683) 8.842 1.393 ( 0.181 0.000 5.791) 5.793 1.466 ( -4.669 0.000 0.323) 4.680 1.492 ( -0.027 0.000 -0.541) 0.542 1.523 ( -0.363 0.000 -3.889) 3.906 1.586 ( 7.750 0.000 -7.542) 10.814 1.640 ( 2.401 0.000 -22.302) 22.430 1.640 ( 1.423 0.000 -1.376) 1.979 1.704 ( 1.196 0.000 2.461) 2.736 1.704 ( 2.669 0.000 -1.134) 2.900 1.826 ( 2.650 0.000 -2.136) 3.403 1.891 ( -1.975 0.000 -0.002) 1.975 1.958 ( -2.398 0.000 5.938) 6.404 1.979 ( -0.107 0.000 -2.580) 2.583 2.099 ( -1.212 0.000 0.319) 1.253 2.127 ( -2.293 0.000 0.743) 2.410 2.144 ( 3.640 0.000 3.648) 5.154 2.161 ( -2.818 0.000 1.227) 3.074 2.184 ( -0.538 0.000 -2.896) 2.946 2.227 ( 1.415 0.000 -1.880) 2.353 2.299 ( -1.694 0.000 4.135) 4.468 2.332 ( -1.978 0.000 2.613) 3.277 2.381 ( -5.524 0.000 2.970) 6.272 2.407 ( -0.162 0.000 2.010) 2.017 2.413 ( 3.303 0.000 -3.075) 4.513 2.431 ( 4.227 0.000 -3.880) 5.738 2.452 ( 0.106 0.000 -0.883) 0.889 2.491 ( 3.361 0.000 -3.650) 4.962 2.531 ( -0.211 0.000 1.552) 1.567 2.560 ( 0.552 0.000 -0.750) 0.932 2.581 ( 0.467 0.000 -0.090) 0.476 2.589 ( -1.150 0.000 -3.244) 3.442 2.613 ( 3.332 0.000 2.774) 4.336 2.676 ( -4.409 0.000 -1.307) 4.599 2.726 ( 1.371 0.000 0.900) 1.639 2.738 ( -0.509 0.000 4.153) 4.184 2.816 ( -2.163 0.000 -1.967) 2.924 2.839 ( 0.857 0.000 -0.619) 1.057 2.840 ( -2.957 0.000 2.182) 3.675 2.896 ( 4.572 0.000 7.267) 8.586 2.927 ( -0.875 0.000 -5.727) 5.794 2.982 ( 1.070 0.000 2.839) 3.033 2.999 ( -3.120 0.000 -2.915) 4.270 3.034 ( 2.514 0.000 -1.292) 2.826 3.304 ( -2.000 0.000 1.873) 2.740 3.338 ( 0.809 0.000 -0.830) 1.159 3.451 ( -1.700 0.000 1.978) 2.608 3.474 ( 2.164 0.000 0.570) 2.238 3.742 ( 2.466 0.000 3.751) 4.489 3.782 ( -1.370 0.000 0.618) 1.503 3.795 ( 0.438 0.000 0.388) 0.585 3.800 ( 0.871 0.000 0.312) 0.925 3.863 ( 1.140 0.000 0.047) 1.141 3.902 ( -2.016 0.000 -3.682) 4.198 3.947 ( -2.283 0.000 -0.401) 2.318 3.993 ( 1.915 0.000 -4.147) 4.567 4.048 ( -1.795 0.000 -0.652) 1.910 4.073 ( 0.956 0.000 -2.146) 2.349 4.084 ( -0.758 0.000 2.827) 2.927 4.156 ( 4.234 0.000 0.721) 4.295 4.183 ( -2.259 0.000 0.040) 2.260 4.183 ( 0.949 0.000 -3.650) 3.771 4.284 ( -0.173 0.000 3.676) 3.680 4.310 ( 0.247 0.000 0.692) 0.735 4.345 ( -0.744 0.000 4.377) 4.440 4.391 ( 0.279 0.000 1.122) 1.156 4.398 ( -2.805 0.000 -1.045) 2.994 4.426 ( 0.825 0.000 0.084) 0.830 4.452 ( 0.976 0.000 -1.337) 1.655 4.480 ( -0.763 0.000 -2.161) 2.291 4.549 ( -0.625 0.000 -0.442) 0.765 4.581 ( -2.445 0.000 -2.945) 3.828 4.623 ( 4.188 0.000 2.038) 4.658 4.624 ( -0.315 0.000 1.304) 1.342 4.678 ( -1.391 0.000 1.580) 2.105 4.681 ( 2.830 0.000 1.038) 3.014 4.770 ( 5.121 0.000 1.821) 5.436 4.797 ( 0.389 0.000 -1.165) 1.228 4.820 ( -4.662 0.000 0.338) 4.675 4.822 ( -5.624 0.000 -0.508) 5.647 4.863 ( 2.833 0.000 0.115) 2.835 4.881 ( -1.700 0.000 -2.402) 2.942 4.889 ( 1.645 0.000 1.367) 2.139 4.924 ( -0.654 0.000 -1.065) 1.249 4.997 ( 0.971 0.000 1.985) 2.210 4.999 ( -0.981 0.000 -0.176) 0.996 5.028 ( -0.437 0.000 -1.374) 1.442 5.044 ( -2.843 0.000 -2.104) 3.537 5.068 ( -2.731 0.000 3.047) 4.092 5.119 ( -0.085 0.000 1.453) 1.455 5.164 ( -0.345 0.000 -3.619) 3.635 5.167 ( 1.628 0.000 0.289) 1.654 5.221 ( 0.705 0.000 -1.717) 1.856 5.260 ( -0.355 0.000 -2.707) 2.730 5.290 ( -1.669 0.000 1.932) 2.553 5.335 ( 1.619 0.000 -1.843) 2.453 5.397 ( 0.142 0.000 1.960) 1.965 5.417 ( 0.347 0.000 0.963) 1.023 5.510 ( 1.295 0.000 1.619) 2.073 5.558 ( -1.440 0.000 -3.678) 3.950 5.626 ( -0.028 0.000 3.121) 3.121 5.709 ( -0.155 0.000 -3.906) 3.909 5.711 ( -3.480 0.000 1.299) 3.715 5.731 ( 3.188 0.000 0.419) 3.216 5.768 ( 0.506 0.000 0.466) 0.687 5.774 ( 0.748 0.000 0.601) 0.960 5.900 ( 3.145 0.000 3.258) 4.528 5.931 ( -2.265 0.000 0.948) 2.456 6.013 ( -0.516 0.000 0.328) 0.611 6.091 ( 0.779 0.000 -5.466) 5.521 6.129 ( -1.507 0.000 1.822) 2.364 6.166 ( -0.972 0.000 1.582) 1.856 6.187 ( 0.391 0.000 -3.146) 3.170 6.194 ( -0.602 0.000 -0.318) 0.681 6.305 ( -2.703 0.000 0.495) 2.748 6.343 ( 5.641 0.000 -3.252) 6.512 6.405 ( 0.883 0.000 -0.191) 0.903 6.425 ( 0.594 0.000 -2.013) 2.098 6.558 ( -0.390 0.000 3.496) 3.518 6.583 ( -2.935 0.000 4.504) 5.376 6.601 ( 0.907 0.000 0.269) 0.946 6.665 ( -0.356 0.000 -2.399) 2.425 6.688 ( -2.836 0.000 2.521) 3.794 6.724 ( -3.401 0.000 0.898) 3.517 6.849 ( 1.388 0.000 -1.082) 1.760 6.851 ( 4.523 0.000 -2.527) 5.181 6.889 ( -0.369 0.000 -0.101) 0.382 6.897 ( -3.669 0.000 -0.593) 3.717 6.913 ( 0.851 0.000 2.375) 2.523 6.947 ( -2.404 0.000 0.888) 2.563 6.996 ( 1.676 0.000 -0.568) 1.769 7.014 ( 0.412 0.000 -3.901) 3.922 7.150 ( 0.864 0.000 0.514) 1.006 7.186 ( -2.345 0.000 -2.584) 3.489 7.228 ( 1.123 0.000 0.941) 1.465 7.229 ( 3.326 0.000 2.550) 4.191 7.262 ( -2.900 0.000 -0.237) 2.909 7.269 ( 2.868 0.000 -1.814) 3.393 7.318 ( 0.978 0.000 0.589) 1.142 7.324 ( 0.263 0.000 0.147) 0.302 7.352 ( -4.919 0.000 -0.054) 4.920 7.377 ( 1.646 0.000 -1.671) 2.345 7.472 ( 1.342 0.000 2.820) 3.123 7.499 ( 0.304 0.000 1.022) 1.066 7.596 ( -0.065 0.000 6.192) 6.192 7.642 ( -0.771 0.000 0.944) 1.219 7.700 ( 0.756 0.000 -1.980) 2.119 7.718 ( 1.017 0.000 -0.090) 1.021 7.767 ( 1.890 0.000 3.423) 3.910 7.802 ( 2.388 0.000 -5.081) 5.615 7.815 ( -2.693 0.000 -2.724) 3.831 7.848 ( -2.878 0.000 -3.434) 4.480 7.987 ( 4.736 0.000 0.299) 4.745 7.997 ( -1.799 0.000 -0.153) 1.806 8.042 ( 0.848 0.000 2.410) 2.555 8.059 ( -2.119 0.000 0.889) 2.298 8.106 ( 0.538 0.000 -0.594) 0.801 8.112 ( -0.536 0.000 -1.292) 1.399 8.209 ( 2.678 0.000 0.082) 2.679 8.228 ( -1.640 0.000 -1.165) 2.012 8.249 ( -1.327 0.000 3.077) 3.351 8.315 ( 0.293 0.000 -3.301) 3.314 8.382 ( -1.502 0.000 5.006) 5.226 8.471 ( 3.576 0.000 -0.300) 3.588 8.497 ( -1.096 0.000 -1.063) 1.527 8.532 ( -2.352 0.000 -1.871) 3.006 8.714 ( 3.357 0.000 0.661) 3.421 8.722 ( -9.316 0.000 -0.090) 9.316 8.814 ( 2.905 0.000 0.061) 2.906 8.815 ( -3.937 0.000 0.007) 3.937 9.007 ( 0.684 0.000 3.282) 3.352 9.085 ( 0.036 0.000 -3.565) 3.566 9.184 ( -4.177 0.000 0.794) 4.252 9.199 ( 6.284 0.000 -0.683) 6.321 9.275 ( -2.251 0.000 1.202) 2.551 9.298 ( 1.773 0.000 -0.773) 1.934 11.523 ( -1.462 0.000 -0.038) 1.463 11.524 ( 2.198 0.000 -0.171) 2.204 11.557 ( -1.936 0.000 1.243) 2.301 11.582 ( 1.260 0.000 -0.933) 1.567 11.675 ( 0.323 0.000 0.616) 0.696 11.689 ( -0.467 0.000 -0.631) 0.785 11.719 ( 0.428 0.000 0.403) 0.588 11.730 ( -0.308 0.000 -0.526) 0.610 12.088 ( 0.240 0.000 0.061) 0.248 12.089 ( -0.142 0.000 -0.013) 0.143 12.102 ( -0.511 0.000 0.594) 0.783 12.115 ( 0.411 0.000 -0.552) 0.688 14.463 ( 0.378 0.000 1.118) 1.180 14.498 ( -0.802 0.000 -2.092) 2.241 14.650 ( 0.306 0.000 3.770) 3.782 14.725 ( -0.841 0.000 -2.909) 3.028 14.805 ( 1.270 0.000 -0.090) 1.274 14.810 ( -3.281 0.000 -0.602) 3.336 14.843 ( 0.320 0.000 0.177) 0.365 14.844 ( -0.140 0.000 -0.077) 0.160 15.101 ( -0.318 0.000 1.041) 1.089 15.112 ( 0.783 0.000 0.498) 0.928 15.172 ( -0.156 0.000 0.811) 0.825 15.207 ( -0.537 0.000 -1.816) 1.894 15.528 ( -0.372 0.000 1.438) 1.485 15.557 ( 0.458 0.000 -1.014) 1.113 15.584 ( -1.256 0.000 1.002) 1.606 15.608 ( 6.625 0.000 -1.179) 6.729 15.946 ( -0.507 0.000 1.841) 1.910 15.987 ( 0.642 0.000 -1.717) 1.833 16.133 ( -2.027 0.000 -0.051) 2.027 16.136 ( 5.836 0.000 -0.329) 5.845 16.380 ( -0.537 0.000 1.046) 1.175 16.408 ( 0.607 0.000 -1.375) 1.503 16.520 ( 0.108 0.000 1.353) 1.357 16.551 ( -0.140 0.000 -1.432) 1.438 16.673 ( -4.000 0.000 2.439) 4.684 16.709 ( -0.025 0.000 -0.081) 0.085 16.711 ( -1.293 0.000 -0.204) 1.309 16.716 ( 1.653 0.000 -1.160) 2.019 16.817 ( 0.478 0.000 1.332) 1.415 16.860 ( -0.678 0.000 -2.312) 2.410 17.062 ( 1.992 0.000 2.115) 2.905 17.103 ( -0.981 0.000 -1.524) 1.813 17.915 ( -0.525 0.000 0.949) 1.085 17.937 ( 1.416 0.000 -0.989) 1.727 18.034 ( 0.732 0.000 0.105) 0.740 18.036 ( -0.655 0.000 -0.063) 0.658 ======================= Grid point 26 (11/24) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.647 ( 3.732 0.000 17.466) 17.861 0.661 ( 0.574 0.000 -15.691) 15.702 0.754 ( 9.753 0.000 15.489) 18.304 0.927 ( 12.635 0.000 -14.398) 19.156 1.137 ( 2.213 0.000 19.636) 19.760 1.336 ( -9.011 0.000 4.504) 10.074 1.346 ( -4.981 0.000 -7.612) 9.096 1.452 ( -3.330 0.000 -2.011) 3.890 1.492 ( 2.476 0.000 9.603) 9.917 1.599 ( -2.664 0.000 -4.282) 5.043 1.631 ( -4.303 0.000 0.731) 4.364 1.669 ( 7.298 0.000 -10.927) 13.139 1.744 ( 3.229 0.000 -3.668) 4.887 1.755 ( 8.254 0.000 -12.908) 15.322 1.807 ( -1.396 0.000 -3.404) 3.679 1.838 ( -3.496 0.000 5.211) 6.275 1.884 ( -6.807 0.000 2.626) 7.296 1.945 ( -1.278 0.000 2.445) 2.759 2.043 ( -3.033 0.000 1.486) 3.378 2.051 ( -7.154 0.000 -1.090) 7.237 2.136 ( -1.101 0.000 -1.175) 1.610 2.144 ( 0.141 0.000 0.821) 0.833 2.204 ( -0.513 0.000 -0.670) 0.844 2.262 ( 2.266 0.000 0.725) 2.379 2.280 ( -2.745 0.000 4.467) 5.243 2.283 ( -2.692 0.000 -1.696) 3.182 2.308 ( -1.380 0.000 3.277) 3.555 2.382 ( -3.398 0.000 1.403) 3.676 2.415 ( -2.224 0.000 -0.215) 2.235 2.419 ( -1.570 0.000 -3.317) 3.670 2.473 ( -4.016 0.000 -1.877) 4.434 2.498 ( -0.183 0.000 1.996) 2.004 2.517 ( -1.953 0.000 -1.673) 2.572 2.548 ( -1.537 0.000 -1.791) 2.360 2.552 ( 3.376 0.000 0.163) 3.379 2.558 ( 0.409 0.000 1.605) 1.656 2.655 ( 3.856 0.000 -4.606) 6.007 2.718 ( 1.845 0.000 1.115) 2.156 2.728 ( -2.177 0.000 -1.474) 2.630 2.746 ( -2.345 0.000 1.994) 3.078 2.803 ( 2.216 0.000 -1.806) 2.859 2.836 ( 1.579 0.000 -1.217) 1.993 2.845 ( 1.689 0.000 8.531) 8.697 2.861 ( -2.920 0.000 -2.417) 3.791 2.965 ( 3.249 0.000 -0.784) 3.343 3.009 ( 0.672 0.000 0.633) 0.924 3.059 ( 4.731 0.000 1.448) 4.948 3.075 ( 2.591 0.000 -2.978) 3.947 3.280 ( -2.154 0.000 1.894) 2.868 3.342 ( -1.581 0.000 1.037) 1.891 3.437 ( -0.659 0.000 1.196) 1.366 3.517 ( 2.063 0.000 -1.929) 2.824 3.685 ( -3.739 0.000 -2.830) 4.689 3.755 ( -0.790 0.000 2.615) 2.732 3.812 ( -1.467 0.000 -2.526) 2.921 3.842 ( 2.487 0.000 -1.199) 2.761 3.886 ( 3.007 0.000 0.583) 3.063 3.914 ( 0.709 0.000 0.359) 0.795 3.945 ( 1.759 0.000 0.898) 1.975 4.005 ( 1.099 0.000 -1.529) 1.883 4.008 ( -0.718 0.000 2.553) 2.653 4.064 ( -0.824 0.000 0.437) 0.933 4.088 ( -1.849 0.000 -0.087) 1.851 4.111 ( -2.312 0.000 0.531) 2.372 4.129 ( -3.558 0.000 -4.388) 5.650 4.229 ( 2.532 0.000 -1.076) 2.751 4.271 ( -3.240 0.000 0.580) 3.292 4.308 ( -5.038 0.000 3.783) 6.300 4.325 ( 0.386 0.000 -1.141) 1.204 4.351 ( -2.184 0.000 2.297) 3.170 4.400 ( -0.583 0.000 0.718) 0.925 4.426 ( -0.762 0.000 -1.160) 1.388 4.435 ( -1.443 0.000 -0.391) 1.495 4.463 ( -0.720 0.000 1.083) 1.301 4.500 ( -2.801 0.000 -0.753) 2.900 4.519 ( -4.619 0.000 5.597) 7.257 4.615 ( -0.381 0.000 -0.077) 0.389 4.624 ( -1.767 0.000 2.491) 3.054 4.650 ( -0.275 0.000 0.474) 0.548 4.653 ( -1.005 0.000 -2.526) 2.719 4.709 ( 0.651 0.000 -0.125) 0.663 4.723 ( -1.785 0.000 -3.218) 3.680 4.819 ( -1.322 0.000 -2.982) 3.262 4.852 ( -2.427 0.000 0.036) 2.427 4.879 ( 1.820 0.000 2.891) 3.416 4.888 ( 2.655 0.000 2.539) 3.674 4.956 ( 0.737 0.000 1.296) 1.491 4.964 ( -0.162 0.000 -0.746) 0.764 5.002 ( 4.056 0.000 -3.938) 5.653 5.002 ( -2.373 0.000 3.047) 3.862 5.010 ( 0.378 0.000 -0.382) 0.537 5.052 ( 2.020 0.000 -0.446) 2.069 5.063 ( -1.131 0.000 5.022) 5.147 5.117 ( -1.624 0.000 0.383) 1.669 5.148 ( 0.869 0.000 -1.308) 1.570 5.189 ( 1.078 0.000 0.449) 1.168 5.220 ( 0.002 0.000 -1.529) 1.529 5.250 ( 2.624 0.000 0.207) 2.633 5.281 ( -0.079 0.000 1.057) 1.060 5.339 ( -0.419 0.000 -2.223) 2.262 5.428 ( 1.043 0.000 0.656) 1.232 5.432 ( 0.634 0.000 -0.379) 0.739 5.520 ( 0.327 0.000 -2.200) 2.224 5.554 ( 1.552 0.000 1.746) 2.336 5.633 ( -4.360 0.000 0.206) 4.365 5.673 ( 1.874 0.000 2.862) 3.421 5.704 ( 1.942 0.000 -2.608) 3.252 5.783 ( 1.997 0.000 0.122) 2.000 5.791 ( 1.791 0.000 -1.184) 2.147 5.799 ( 0.742 0.000 -1.251) 1.454 5.878 ( -1.476 0.000 -2.283) 2.719 5.969 ( 0.025 0.000 3.225) 3.226 6.034 ( 0.693 0.000 2.619) 2.709 6.082 ( 2.426 0.000 -5.307) 5.835 6.154 ( 1.977 0.000 3.423) 3.953 6.182 ( 0.836 0.000 -2.130) 2.288 6.185 ( 0.256 0.000 -1.040) 1.071 6.197 ( 2.673 0.000 2.266) 3.504 6.274 ( 0.446 0.000 -1.379) 1.450 6.399 ( 0.479 0.000 -0.462) 0.665 6.426 ( 0.801 0.000 -3.245) 3.343 6.431 ( 1.461 0.000 -2.111) 2.567 6.547 ( -2.811 0.000 2.321) 3.645 6.591 ( -0.054 0.000 4.425) 4.425 6.614 ( -4.438 0.000 7.869) 9.034 6.618 ( 0.119 0.000 -2.856) 2.858 6.659 ( 1.284 0.000 -0.355) 1.332 6.673 ( -2.415 0.000 1.929) 3.091 6.828 ( -1.550 0.000 -0.106) 1.554 6.846 ( -0.059 0.000 -2.816) 2.817 6.902 ( -0.190 0.000 2.420) 2.427 6.911 ( 1.667 0.000 -2.013) 2.613 6.922 ( -0.978 0.000 0.492) 1.095 6.960 ( 1.679 0.000 1.048) 1.979 6.993 ( 0.642 0.000 -4.386) 4.433 7.006 ( -0.222 0.000 0.681) 0.717 7.126 ( -3.324 0.000 -1.253) 3.552 7.189 ( 0.595 0.000 2.880) 2.941 7.202 ( -0.079 0.000 -1.555) 1.557 7.214 ( -3.673 0.000 -1.968) 4.167 7.250 ( 0.920 0.000 0.071) 0.922 7.297 ( 0.606 0.000 -0.225) 0.646 7.313 ( 0.559 0.000 2.443) 2.506 7.350 ( 1.705 0.000 -1.104) 2.032 7.356 ( 2.347 0.000 -0.304) 2.367 7.421 ( 2.278 0.000 0.958) 2.471 7.510 ( 0.404 0.000 1.863) 1.906 7.510 ( 1.170 0.000 -1.961) 2.284 7.586 ( -3.407 0.000 4.271) 5.463 7.613 ( -1.979 0.000 0.510) 2.043 7.668 ( -0.996 0.000 -1.975) 2.212 7.712 ( 0.740 0.000 -3.512) 3.589 7.771 ( -0.193 0.000 0.768) 0.792 7.815 ( 1.596 0.000 -1.546) 2.222 7.842 ( 2.562 0.000 -0.804) 2.685 7.870 ( 0.971 0.000 2.980) 3.135 7.950 ( -1.685 0.000 -2.351) 2.893 7.993 ( -1.887 0.000 0.418) 1.933 8.063 ( -0.711 0.000 2.871) 2.958 8.075 ( 1.439 0.000 -1.345) 1.970 8.108 ( 0.243 0.000 0.519) 0.573 8.150 ( -2.897 0.000 -1.997) 3.519 8.171 ( 5.839 0.000 -2.591) 6.388 8.185 ( -2.654 0.000 -0.196) 2.661 8.265 ( -0.918 0.000 1.814) 2.033 8.271 ( -2.514 0.000 -1.222) 2.795 8.362 ( -3.361 0.000 3.605) 4.929 8.475 ( 0.739 0.000 -3.418) 3.497 8.489 ( -1.141 0.000 2.688) 2.920 8.510 ( 1.657 0.000 0.824) 1.851 8.700 ( 2.949 0.000 2.430) 3.821 8.767 ( -1.013 0.000 -1.693) 1.973 8.775 ( -0.585 0.000 -0.822) 1.009 8.841 ( -2.005 0.000 3.721) 4.226 9.055 ( -0.236 0.000 -2.220) 2.232 9.064 ( 1.680 0.000 2.472) 2.989 9.158 ( 3.328 0.000 -2.199) 3.989 9.221 ( -2.977 0.000 2.124) 3.657 9.282 ( 2.759 0.000 -0.864) 2.891 9.314 ( 0.248 0.000 -0.562) 0.614 11.484 ( -1.662 0.000 -0.312) 1.691 11.517 ( -2.236 0.000 0.451) 2.281 11.571 ( 1.842 0.000 0.499) 1.909 11.602 ( 1.168 0.000 -0.767) 1.398 11.682 ( 0.397 0.000 -0.518) 0.652 11.683 ( -0.144 0.000 0.547) 0.566 11.739 ( 1.411 0.000 -0.220) 1.428 11.746 ( 1.423 0.000 0.199) 1.437 12.087 ( 0.029 0.000 -0.129) 0.132 12.095 ( 0.302 0.000 -0.026) 0.303 12.099 ( -0.215 0.000 0.684) 0.717 12.121 ( 0.535 0.000 -0.487) 0.723 14.498 ( 1.841 0.000 -1.682) 2.494 14.508 ( 2.539 0.000 1.793) 3.108 14.676 ( -1.547 0.000 -2.336) 2.802 14.698 ( 0.849 0.000 2.502) 2.642 14.789 ( 0.116 0.000 0.462) 0.477 14.832 ( -0.013 0.000 -0.130) 0.131 14.851 ( 0.458 0.000 0.168) 0.488 14.867 ( 2.613 0.000 1.461) 2.994 15.105 ( 0.169 0.000 0.328) 0.369 15.126 ( 0.475 0.000 -1.207) 1.297 15.185 ( -0.403 0.000 -1.256) 1.319 15.185 ( 0.158 0.000 2.570) 2.575 15.467 ( -4.569 0.000 -2.603) 5.258 15.530 ( -1.647 0.000 -1.653) 2.334 15.560 ( -0.651 0.000 0.128) 0.663 15.597 ( -2.341 0.000 -0.478) 2.389 15.949 ( -0.529 0.000 1.756) 1.834 15.985 ( 0.683 0.000 -2.017) 2.130 16.122 ( 1.112 0.000 -0.112) 1.117 16.227 ( 2.622 0.000 -3.064) 4.032 16.377 ( -0.526 0.000 1.021) 1.149 16.409 ( 0.612 0.000 -1.138) 1.292 16.532 ( -1.676 0.000 1.177) 2.048 16.538 ( 0.581 0.000 1.531) 1.638 16.561 ( -3.115 0.000 2.568) 4.037 16.660 ( -1.988 0.000 -1.124) 2.284 16.714 ( -0.750 0.000 1.794) 1.945 16.726 ( -1.079 0.000 -1.597) 1.927 16.847 ( 0.440 0.000 -2.316) 2.357 16.849 ( 0.365 0.000 1.892) 1.926 17.100 ( 0.978 0.000 0.718) 1.213 17.148 ( 2.675 0.000 -1.815) 3.232 17.931 ( 1.032 0.000 1.591) 1.896 17.960 ( 1.100 0.000 -2.309) 2.557 18.026 ( -0.132 0.000 -0.038) 0.137 18.062 ( 1.692 0.000 -0.509) 1.766 ======================= Grid point 27 (12/24) ======================= q-point: ( 0.40 0.00 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.692 ( 11.651 0.000 -4.365) 12.442 0.870 ( 8.464 0.000 8.088) 11.706 1.004 ( 1.821 0.000 5.100) 5.416 1.089 ( -13.198 0.000 1.784) 13.318 1.131 ( 9.730 0.000 -8.551) 12.954 1.263 ( 0.815 0.000 2.988) 3.098 1.277 ( 1.039 0.000 5.445) 5.543 1.369 ( -2.172 0.000 -7.330) 7.645 1.471 ( -6.257 0.000 0.762) 6.304 1.509 ( -4.246 0.000 -1.518) 4.510 1.557 ( 0.174 0.000 4.425) 4.428 1.678 ( -1.156 0.000 0.189) 1.172 1.702 ( -9.565 0.000 2.759) 9.955 1.763 ( -3.718 0.000 4.515) 5.849 1.771 ( -3.458 0.000 -4.820) 5.932 1.825 ( 7.281 0.000 -12.291) 14.285 1.868 ( 2.507 0.000 -0.571) 2.572 1.888 ( -1.226 0.000 -3.383) 3.598 1.995 ( 2.247 0.000 3.372) 4.052 2.037 ( 1.883 0.000 -1.252) 2.261 2.131 ( 1.281 0.000 -2.276) 2.612 2.151 ( -2.935 0.000 2.043) 3.576 2.205 ( -0.410 0.000 -0.991) 1.073 2.210 ( -2.866 0.000 1.315) 3.153 2.240 ( 4.898 0.000 -2.885) 5.685 2.289 ( -4.428 0.000 3.793) 5.830 2.317 ( -0.735 0.000 0.900) 1.162 2.324 ( -2.474 0.000 -2.441) 3.475 2.380 ( -0.409 0.000 -0.214) 0.462 2.393 ( 1.387 0.000 0.272) 1.414 2.437 ( 0.491 0.000 4.217) 4.246 2.456 ( -0.552 0.000 2.027) 2.100 2.484 ( -2.752 0.000 4.901) 5.621 2.504 ( -2.399 0.000 2.247) 3.287 2.587 ( 0.652 0.000 0.989) 1.184 2.616 ( 1.913 0.000 -4.563) 4.948 2.669 ( -1.063 0.000 -2.176) 2.422 2.696 ( 1.182 0.000 -2.746) 2.990 2.729 ( 3.914 0.000 -0.081) 3.915 2.755 ( -0.173 0.000 1.933) 1.941 2.808 ( -0.544 0.000 -1.579) 1.670 2.843 ( 1.082 0.000 0.658) 1.266 2.871 ( 1.744 0.000 -1.156) 2.093 2.959 ( 1.831 0.000 3.173) 3.663 2.980 ( -1.928 0.000 -1.432) 2.402 3.037 ( 1.474 0.000 2.325) 2.753 3.086 ( 0.710 0.000 -2.194) 2.306 3.113 ( 1.737 0.000 -2.913) 3.392 3.239 ( -2.269 0.000 0.736) 2.385 3.276 ( -3.664 0.000 -0.226) 3.671 3.432 ( -2.069 0.000 3.672) 4.215 3.526 ( 1.272 0.000 -3.889) 4.092 3.653 ( 1.855 0.000 -0.773) 2.010 3.761 ( -1.903 0.000 -2.558) 3.189 3.795 ( 2.264 0.000 2.378) 3.283 3.852 ( 0.809 0.000 -3.245) 3.345 3.908 ( -0.831 0.000 -0.553) 0.999 3.935 ( -1.510 0.000 -2.428) 2.860 3.981 ( -0.345 0.000 -0.352) 0.493 4.012 ( 2.737 0.000 1.103) 2.951 4.018 ( -0.442 0.000 0.517) 0.680 4.025 ( -1.326 0.000 0.362) 1.374 4.062 ( 2.248 0.000 3.917) 4.516 4.069 ( -0.697 0.000 1.033) 1.246 4.098 ( -1.054 0.000 -0.885) 1.376 4.178 ( -4.568 0.000 1.755) 4.894 4.220 ( -0.680 0.000 -4.109) 4.165 4.253 ( -3.175 0.000 -3.621) 4.816 4.261 ( -4.010 0.000 5.322) 6.664 4.343 ( 2.274 0.000 -3.374) 4.068 4.384 ( -2.450 0.000 4.175) 4.841 4.416 ( 0.934 0.000 2.950) 3.094 4.440 ( -1.554 0.000 0.479) 1.627 4.449 ( -0.627 0.000 -0.691) 0.933 4.489 ( 2.428 0.000 1.523) 2.866 4.526 ( 1.217 0.000 0.991) 1.569 4.571 ( -2.882 0.000 -0.417) 2.911 4.598 ( -1.825 0.000 -1.763) 2.537 4.620 ( -1.467 0.000 1.344) 1.990 4.686 ( -1.178 0.000 3.543) 3.734 4.698 ( 2.885 0.000 -5.981) 6.640 4.724 ( 1.813 0.000 -2.097) 2.772 4.814 ( 3.491 0.000 -1.020) 3.637 4.841 ( 0.777 0.000 0.946) 1.224 4.895 ( -1.955 0.000 1.256) 2.324 4.929 ( -1.886 0.000 1.633) 2.495 4.930 ( -1.899 0.000 0.948) 2.123 4.957 ( 0.312 0.000 -0.129) 0.338 4.963 ( -2.442 0.000 0.997) 2.638 5.007 ( 1.023 0.000 -4.550) 4.664 5.025 ( -0.214 0.000 2.000) 2.011 5.072 ( 1.082 0.000 -1.178) 1.599 5.082 ( -0.770 0.000 4.813) 4.874 5.096 ( -0.773 0.000 0.684) 1.032 5.190 ( 2.204 0.000 1.494) 2.663 5.238 ( 1.210 0.000 0.444) 1.289 5.252 ( 2.610 0.000 3.467) 4.340 5.282 ( -0.105 0.000 -0.549) 0.559 5.289 ( 0.678 0.000 -3.062) 3.136 5.329 ( 1.828 0.000 1.944) 2.668 5.420 ( -1.477 0.000 -1.037) 1.805 5.434 ( -0.636 0.000 -0.974) 1.163 5.521 ( 1.372 0.000 -2.442) 2.801 5.542 ( -3.010 0.000 -1.049) 3.188 5.603 ( 0.806 0.000 2.661) 2.781 5.725 ( 0.980 0.000 1.012) 1.409 5.740 ( 2.721 0.000 -2.127) 3.454 5.744 ( -2.041 0.000 -5.018) 5.417 5.808 ( -0.490 0.000 1.554) 1.629 5.817 ( 1.995 0.000 -1.410) 2.443 5.904 ( 4.120 0.000 -0.567) 4.159 5.950 ( -3.765 0.000 2.819) 4.703 6.060 ( -0.399 0.000 2.763) 2.792 6.103 ( 3.008 0.000 -4.023) 5.023 6.173 ( -0.619 0.000 -0.530) 0.815 6.177 ( 0.280 0.000 -2.038) 2.057 6.237 ( 2.160 0.000 1.610) 2.694 6.272 ( 1.716 0.000 -0.201) 1.728 6.296 ( 2.416 0.000 0.277) 2.432 6.366 ( -2.805 0.000 -1.414) 3.141 6.382 ( -1.761 0.000 0.786) 1.929 6.442 ( 0.808 0.000 -2.670) 2.790 6.516 ( -0.884 0.000 2.269) 2.435 6.540 ( -3.239 0.000 4.854) 5.835 6.609 ( 0.570 0.000 -2.318) 2.387 6.648 ( -0.833 0.000 0.190) 0.855 6.702 ( 1.993 0.000 5.002) 5.384 6.707 ( 1.652 0.000 2.613) 3.091 6.794 ( -1.960 0.000 0.585) 2.045 6.824 ( 0.681 0.000 -2.755) 2.838 6.899 ( -0.848 0.000 -1.583) 1.796 6.907 ( -0.608 0.000 2.217) 2.299 6.918 ( 1.324 0.000 -1.252) 1.822 6.956 ( -1.036 0.000 -3.897) 4.032 6.977 ( 0.779 0.000 -3.332) 3.421 6.989 ( -2.303 0.000 -1.272) 2.631 7.078 ( 0.088 0.000 1.618) 1.620 7.145 ( -2.331 0.000 -0.241) 2.344 7.223 ( 1.425 0.000 0.893) 1.682 7.225 ( 0.262 0.000 5.693) 5.700 7.273 ( 1.025 0.000 0.799) 1.300 7.285 ( -0.197 0.000 -1.196) 1.212 7.348 ( -0.029 0.000 -0.061) 0.068 7.371 ( 1.334 0.000 -1.775) 2.221 7.381 ( 1.207 0.000 -1.033) 1.589 7.450 ( 0.230 0.000 -1.355) 1.374 7.502 ( -1.094 0.000 -0.294) 1.133 7.529 ( -0.112 0.000 3.026) 3.028 7.553 ( -2.458 0.000 2.682) 3.638 7.609 ( 1.413 0.000 0.437) 1.479 7.655 ( 0.498 0.000 -0.914) 1.041 7.703 ( 1.431 0.000 -5.505) 5.688 7.797 ( 1.283 0.000 1.552) 2.013 7.820 ( 1.363 0.000 -3.046) 3.337 7.822 ( -4.723 0.000 0.840) 4.797 7.868 ( -0.946 0.000 -1.473) 1.751 7.929 ( 0.681 0.000 3.005) 3.082 7.993 ( 0.207 0.000 0.102) 0.231 8.068 ( -1.705 0.000 3.438) 3.837 8.088 ( 1.110 0.000 -0.557) 1.242 8.108 ( 0.069 0.000 -0.517) 0.522 8.127 ( 1.154 0.000 0.899) 1.463 8.163 ( 0.995 0.000 -1.517) 1.814 8.199 ( -4.135 0.000 1.084) 4.275 8.205 ( -1.554 0.000 -1.546) 2.192 8.250 ( 2.812 0.000 -3.619) 4.583 8.368 ( -0.755 0.000 4.117) 4.185 8.447 ( -0.592 0.000 -2.002) 2.088 8.520 ( 1.697 0.000 0.929) 1.935 8.547 ( 0.437 0.000 1.060) 1.147 8.711 ( -1.965 0.000 -1.913) 2.743 8.721 ( -0.867 0.000 -0.756) 1.151 8.784 ( 2.068 0.000 0.424) 2.111 8.814 ( -2.273 0.000 2.410) 3.313 9.063 ( 1.364 0.000 -0.363) 1.411 9.092 ( -0.192 0.000 0.129) 0.232 9.192 ( -1.596 0.000 2.663) 3.105 9.223 ( 3.329 0.000 -1.916) 3.841 9.307 ( -0.402 0.000 -0.003) 0.402 9.316 ( 0.975 0.000 -0.604) 1.146 11.461 ( -0.345 0.000 0.016) 0.345 11.479 ( -1.380 0.000 -0.058) 1.381 11.603 ( 0.694 0.000 0.406) 0.804 11.616 ( 0.620 0.000 -0.553) 0.831 11.683 ( -0.168 0.000 0.320) 0.361 11.689 ( 0.486 0.000 -0.502) 0.699 11.765 ( 0.774 0.000 0.195) 0.798 11.770 ( 0.661 0.000 0.067) 0.665 12.089 ( 0.123 0.000 0.080) 0.147 12.098 ( 0.056 0.000 -0.248) 0.254 12.103 ( -0.053 0.000 0.826) 0.828 12.125 ( 0.237 0.000 -0.649) 0.691 14.533 ( 2.082 0.000 -0.505) 2.143 14.569 ( 1.204 0.000 0.146) 1.213 14.635 ( -0.633 0.000 0.632) 0.894 14.703 ( -0.871 0.000 -0.686) 1.108 14.799 ( -0.166 0.000 1.286) 1.296 14.828 ( 0.218 0.000 -1.070) 1.092 14.875 ( 1.247 0.000 1.597) 2.026 14.916 ( 0.214 0.000 1.696) 1.709 15.104 ( -0.127 0.000 -1.093) 1.100 15.113 ( -0.199 0.000 -2.032) 2.042 15.183 ( 0.786 0.000 0.635) 1.010 15.203 ( -0.894 0.000 2.364) 2.527 15.392 ( 0.588 0.000 -2.912) 2.971 15.471 ( -2.204 0.000 -3.004) 3.726 15.553 ( -0.251 0.000 0.463) 0.526 15.561 ( -0.995 0.000 0.343) 1.052 15.951 ( -0.652 0.000 1.635) 1.760 15.987 ( 0.920 0.000 -1.913) 2.123 16.155 ( 1.021 0.000 1.576) 1.878 16.222 ( -0.514 0.000 -1.517) 1.602 16.378 ( -0.259 0.000 1.326) 1.351 16.416 ( 0.793 0.000 -1.360) 1.574 16.525 ( -0.843 0.000 3.356) 3.460 16.552 ( 0.912 0.000 -0.988) 1.344 16.557 ( -0.235 0.000 0.671) 0.711 16.618 ( -0.668 0.000 -2.424) 2.515 16.696 ( 0.098 0.000 -0.831) 0.837 16.700 ( -1.720 0.000 1.457) 2.254 16.845 ( 0.890 0.000 -1.304) 1.579 16.849 ( -0.918 0.000 0.343) 0.980 17.120 ( -0.533 0.000 2.506) 2.562 17.161 ( 0.816 0.000 -1.486) 1.695 17.951 ( -0.574 0.000 1.187) 1.318 17.962 ( 0.815 0.000 -1.329) 1.559 18.037 ( 0.528 0.000 1.431) 1.526 18.082 ( 0.792 0.000 -0.996) 1.273 ======================= Grid point 28 (13/24) ======================= q-point: (-0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.698 ( -18.856 0.000 -5.164) 19.550 0.861 ( -14.236 0.000 7.031) 15.877 0.990 ( 9.962 0.000 2.449) 10.258 1.068 ( -6.586 0.000 4.435) 7.940 1.174 ( 8.639 0.000 7.256) 11.282 1.220 ( 0.199 0.000 -9.038) 9.041 1.357 ( -7.465 0.000 -5.398) 9.213 1.404 ( 6.562 0.000 -0.796) 6.610 1.455 ( 4.391 0.000 2.276) 4.945 1.472 ( 2.416 0.000 -0.487) 2.464 1.540 ( -1.201 0.000 2.283) 2.579 1.627 ( -1.038 0.000 0.292) 1.079 1.630 ( -0.788 0.000 4.036) 4.112 1.721 ( 3.073 0.000 -0.815) 3.179 1.772 ( -0.332 0.000 6.120) 6.129 1.861 ( 2.675 0.000 -5.950) 6.523 1.863 ( 1.530 0.000 -3.634) 3.943 1.934 ( 6.563 0.000 -5.442) 8.526 2.019 ( -4.494 0.000 0.755) 4.557 2.046 ( 2.583 0.000 -1.643) 3.062 2.120 ( 4.226 0.000 -2.799) 5.069 2.161 ( 1.685 0.000 2.042) 2.647 2.168 ( -1.488 0.000 0.287) 1.515 2.214 ( -2.011 0.000 -0.329) 2.038 2.217 ( -0.049 0.000 0.350) 0.353 2.291 ( -1.709 0.000 1.372) 2.192 2.329 ( 0.578 0.000 2.674) 2.736 2.329 ( 4.156 0.000 -1.069) 4.291 2.389 ( 0.939 0.000 -2.164) 2.359 2.400 ( 2.171 0.000 -0.658) 2.269 2.466 ( -0.858 0.000 5.790) 5.853 2.476 ( -1.213 0.000 1.908) 2.261 2.514 ( 1.369 0.000 3.965) 4.194 2.554 ( -2.486 0.000 -4.820) 5.423 2.555 ( 0.051 0.000 -1.128) 1.129 2.586 ( 2.372 0.000 2.458) 3.416 2.665 ( 3.558 0.000 -4.255) 5.547 2.689 ( -0.890 0.000 -2.835) 2.972 2.777 ( -1.157 0.000 0.287) 1.192 2.780 ( -1.114 0.000 -1.082) 1.553 2.806 ( -2.617 0.000 -1.748) 3.148 2.858 ( 5.111 0.000 5.185) 7.280 2.874 ( -0.232 0.000 -2.307) 2.318 2.888 ( -0.689 0.000 -3.887) 3.948 2.986 ( -4.098 0.000 5.487) 6.848 3.042 ( -1.800 0.000 2.727) 3.268 3.069 ( -0.722 0.000 -2.531) 2.632 3.089 ( -3.535 0.000 -1.814) 3.973 3.258 ( 2.095 0.000 -1.016) 2.329 3.266 ( 4.617 0.000 0.716) 4.673 3.422 ( -1.173 0.000 4.523) 4.673 3.511 ( -0.013 0.000 -3.300) 3.300 3.680 ( -3.269 0.000 -2.463) 4.093 3.707 ( 2.222 0.000 1.735) 2.819 3.820 ( -1.323 0.000 0.071) 1.325 3.842 ( -2.402 0.000 -2.198) 3.256 3.881 ( 2.216 0.000 0.463) 2.264 3.889 ( 1.528 0.000 -0.106) 1.532 3.993 ( -3.891 0.000 -0.531) 3.927 4.005 ( 0.127 0.000 0.664) 0.676 4.032 ( 0.056 0.000 -0.525) 0.528 4.047 ( -0.369 0.000 0.670) 0.765 4.088 ( 2.501 0.000 -0.008) 2.501 4.092 ( 4.668 0.000 -0.401) 4.686 4.134 ( -1.911 0.000 3.337) 3.845 4.169 ( -1.193 0.000 -5.203) 5.338 4.187 ( 4.928 0.000 2.853) 5.694 4.224 ( 3.119 0.000 -2.517) 4.008 4.242 ( -1.196 0.000 5.348) 5.481 4.337 ( -0.200 0.000 -1.892) 1.903 4.398 ( -0.463 0.000 4.586) 4.610 4.403 ( -1.738 0.000 0.212) 1.751 4.445 ( 0.251 0.000 0.382) 0.457 4.465 ( 2.517 0.000 -1.289) 2.828 4.530 ( -0.489 0.000 1.130) 1.231 4.547 ( -0.091 0.000 0.234) 0.251 4.557 ( -0.579 0.000 -2.314) 2.386 4.567 ( 3.102 0.000 1.479) 3.436 4.586 ( -1.201 0.000 1.160) 1.669 4.663 ( -2.094 0.000 1.659) 2.672 4.719 ( 3.181 0.000 -5.004) 5.930 4.757 ( 2.594 0.000 -2.702) 3.746 4.821 ( -5.371 0.000 -0.684) 5.415 4.840 ( -1.700 0.000 1.791) 2.470 4.896 ( 1.253 0.000 1.465) 1.928 4.898 ( -1.617 0.000 1.484) 2.195 4.934 ( 1.925 0.000 2.200) 2.923 4.943 ( 0.629 0.000 0.988) 1.171 4.956 ( 1.014 0.000 -1.014) 1.434 5.025 ( 2.826 0.000 -3.389) 4.413 5.031 ( -0.753 0.000 2.234) 2.357 5.065 ( -0.106 0.000 -1.412) 1.416 5.109 ( 0.608 0.000 1.528) 1.644 5.118 ( 1.620 0.000 1.295) 2.074 5.190 ( -4.495 0.000 0.528) 4.526 5.207 ( -2.489 0.000 2.630) 3.621 5.279 ( 0.469 0.000 -0.545) 0.719 5.292 ( -0.931 0.000 -1.353) 1.643 5.335 ( 0.300 0.000 -2.630) 2.647 5.351 ( 1.919 0.000 1.736) 2.588 5.393 ( -0.858 0.000 -0.577) 1.034 5.411 ( 0.428 0.000 0.373) 0.567 5.493 ( -1.215 0.000 -1.000) 1.574 5.545 ( 2.917 0.000 -1.055) 3.102 5.647 ( 1.449 0.000 3.629) 3.907 5.674 ( -1.178 0.000 -3.721) 3.903 5.708 ( -2.898 0.000 0.018) 2.898 5.755 ( 0.352 0.000 -1.629) 1.666 5.796 ( -1.253 0.000 0.558) 1.371 5.843 ( -0.052 0.000 -1.094) 1.095 5.886 ( -2.699 0.000 0.739) 2.799 5.985 ( 2.836 0.000 0.235) 2.846 6.053 ( -1.445 0.000 0.117) 1.450 6.125 ( 1.328 0.000 -2.522) 2.851 6.149 ( -1.542 0.000 1.557) 2.191 6.161 ( -0.260 0.000 -1.383) 1.407 6.238 ( -2.055 0.000 1.947) 2.831 6.274 ( -0.767 0.000 -1.037) 1.290 6.316 ( -1.129 0.000 -2.466) 2.712 6.338 ( 1.066 0.000 1.170) 1.583 6.390 ( 0.725 0.000 1.935) 2.066 6.418 ( -0.538 0.000 -1.694) 1.777 6.536 ( -0.232 0.000 1.688) 1.704 6.551 ( 1.012 0.000 2.592) 2.783 6.618 ( 0.688 0.000 1.163) 1.351 6.633 ( 0.966 0.000 -3.075) 3.223 6.723 ( -2.042 0.000 1.935) 2.813 6.727 ( -2.329 0.000 5.358) 5.842 6.787 ( 0.997 0.000 -1.300) 1.638 6.838 ( 2.245 0.000 -1.459) 2.677 6.894 ( 0.822 0.000 0.740) 1.106 6.896 ( -1.533 0.000 -3.213) 3.560 6.911 ( -2.363 0.000 0.668) 2.456 6.936 ( 1.081 0.000 -0.640) 1.256 6.944 ( 1.330 0.000 -0.869) 1.589 6.986 ( 2.877 0.000 -2.043) 3.528 7.106 ( -0.939 0.000 -0.914) 1.310 7.123 ( 2.211 0.000 1.769) 2.831 7.248 ( 0.356 0.000 1.724) 1.760 7.261 ( -0.849 0.000 -1.356) 1.600 7.268 ( -1.477 0.000 1.595) 2.174 7.310 ( 1.266 0.000 1.044) 1.641 7.341 ( 0.216 0.000 1.997) 2.008 7.352 ( -1.772 0.000 -2.779) 3.296 7.388 ( -0.091 0.000 0.416) 0.426 7.418 ( -0.250 0.000 -4.653) 4.659 7.490 ( -1.208 0.000 3.178) 3.400 7.525 ( -1.041 0.000 -1.067) 1.490 7.556 ( -1.584 0.000 7.107) 7.281 7.635 ( -0.006 0.000 0.888) 0.888 7.645 ( 0.044 0.000 -2.884) 2.884 7.688 ( 1.628 0.000 -5.310) 5.554 7.758 ( -1.933 0.000 3.313) 3.836 7.814 ( -0.175 0.000 -2.655) 2.661 7.840 ( 1.454 0.000 0.408) 1.510 7.877 ( 4.355 0.000 -2.495) 5.020 7.967 ( 0.701 0.000 2.866) 2.950 7.987 ( -0.167 0.000 -1.160) 1.172 8.051 ( -2.043 0.000 3.231) 3.823 8.116 ( 0.773 0.000 -0.866) 1.161 8.125 ( 2.167 0.000 -0.285) 2.186 8.129 ( -1.043 0.000 -0.828) 1.332 8.151 ( -1.067 0.000 0.926) 1.412 8.164 ( -1.259 0.000 -1.122) 1.687 8.203 ( 1.860 0.000 0.532) 1.935 8.264 ( 2.387 0.000 -3.621) 4.337 8.378 ( -1.146 0.000 4.426) 4.572 8.426 ( -0.239 0.000 -1.590) 1.608 8.538 ( -1.156 0.000 -0.267) 1.187 8.553 ( 0.514 0.000 0.616) 0.803 8.699 ( 1.136 0.000 0.025) 1.136 8.701 ( 0.069 0.000 -0.673) 0.676 8.796 ( -0.913 0.000 0.015) 0.913 8.829 ( 2.327 0.000 1.098) 2.573 9.063 ( -2.224 0.000 -0.443) 2.267 9.087 ( 0.881 0.000 0.509) 1.017 9.184 ( -1.466 0.000 1.779) 2.305 9.251 ( 1.444 0.000 -2.531) 2.914 9.297 ( -1.324 0.000 1.126) 1.739 9.310 ( -1.019 0.000 -0.455) 1.116 11.465 ( 0.276 0.000 -0.360) 0.453 11.473 ( 1.247 0.000 0.433) 1.320 11.605 ( -0.737 0.000 0.419) 0.848 11.615 ( -0.335 0.000 -0.637) 0.719 11.680 ( -0.399 0.000 0.321) 0.512 11.690 ( 0.015 0.000 -0.386) 0.387 11.769 ( -0.574 0.000 0.201) 0.608 11.769 ( -0.772 0.000 -0.098) 0.778 12.091 ( -0.020 0.000 0.259) 0.259 12.094 ( -0.194 0.000 -0.325) 0.379 12.108 ( -0.181 0.000 0.891) 0.909 12.121 ( -0.028 0.000 -0.787) 0.787 14.532 ( -2.931 0.000 -0.442) 2.964 14.561 ( 0.223 0.000 0.554) 0.597 14.669 ( -0.958 0.000 -1.880) 2.110 14.681 ( 2.500 0.000 1.344) 2.839 14.806 ( 0.228 0.000 0.923) 0.950 14.823 ( 0.126 0.000 -1.005) 1.013 14.903 ( -1.713 0.000 -0.252) 1.731 14.913 ( 0.627 0.000 2.486) 2.564 15.092 ( -0.198 0.000 -0.347) 0.400 15.096 ( -0.122 0.000 -0.976) 0.983 15.189 ( -1.130 0.000 0.498) 1.235 15.219 ( 1.640 0.000 1.172) 2.016 15.394 ( -2.397 0.000 -4.419) 5.028 15.429 ( 2.936 0.000 0.494) 2.978 15.557 ( 0.140 0.000 0.214) 0.256 15.558 ( 0.389 0.000 0.452) 0.596 15.948 ( -0.841 0.000 1.526) 1.743 15.990 ( 0.737 0.000 -1.764) 1.912 16.180 ( -0.156 0.000 2.166) 2.172 16.194 ( -0.935 0.000 -1.942) 2.155 16.385 ( -0.320 0.000 1.414) 1.450 16.414 ( 0.340 0.000 -1.759) 1.791 16.532 ( -1.766 0.000 0.181) 1.775 16.542 ( -0.362 0.000 3.864) 3.881 16.571 ( 1.063 0.000 -0.371) 1.126 16.604 ( 1.510 0.000 -2.933) 3.299 16.679 ( -0.846 0.000 0.840) 1.192 16.720 ( 1.941 0.000 -0.306) 1.965 16.826 ( -1.375 0.000 0.220) 1.393 16.860 ( 1.120 0.000 -0.627) 1.284 17.126 ( -0.365 0.000 1.791) 1.828 17.177 ( 1.935 0.000 -2.014) 2.793 17.938 ( -1.120 0.000 0.777) 1.363 17.977 ( 1.394 0.000 -0.996) 1.713 18.054 ( -0.258 0.000 1.514) 1.535 18.079 ( -0.129 0.000 -1.859) 1.863 ======================= Grid point 29 (14/24) ======================= q-point: (-0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 24 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.337 ( -12.316 0.000 8.314) 14.859 0.582 ( -17.887 0.000 14.150) 22.807 0.916 ( -17.410 0.000 25.071) 30.523 0.961 ( -3.591 0.000 -9.028) 9.716 1.120 ( -6.141 0.000 -12.452) 13.884 1.386 ( 11.446 0.000 -3.395) 11.939 1.396 ( -2.944 0.000 5.217) 5.991 1.426 ( 6.164 0.000 3.834) 7.259 1.474 ( 6.219 0.000 -5.893) 8.568 1.520 ( 2.205 0.000 -1.761) 2.822 1.626 ( -2.604 0.000 4.451) 5.157 1.666 ( 1.089 0.000 1.126) 1.567 1.697 ( 2.850 0.000 -2.915) 4.077 1.737 ( 4.101 0.000 -0.417) 4.122 1.817 ( 0.661 0.000 -12.984) 13.001 1.827 ( 3.870 0.000 4.006) 5.570 1.924 ( -0.551 0.000 6.796) 6.819 1.998 ( 2.902 0.000 -6.592) 7.202 2.025 ( 4.733 0.000 -0.424) 4.752 2.110 ( 4.990 0.000 -2.891) 5.767 2.137 ( -1.059 0.000 -1.416) 1.768 2.163 ( 1.589 0.000 -0.476) 1.659 2.214 ( -0.395 0.000 -0.634) 0.747 2.216 ( 0.136 0.000 3.929) 3.931 2.269 ( 5.910 0.000 0.012) 5.910 2.280 ( -0.489 0.000 1.580) 1.654 2.358 ( 0.419 0.000 2.279) 2.317 2.388 ( 2.550 0.000 -2.062) 3.279 2.399 ( 0.648 0.000 -0.398) 0.761 2.421 ( -0.736 0.000 2.337) 2.450 2.448 ( 1.100 0.000 -1.907) 2.201 2.470 ( 0.365 0.000 0.751) 0.835 2.529 ( 0.981 0.000 1.086) 1.463 2.546 ( 0.707 0.000 -1.537) 1.692 2.582 ( -0.811 0.000 -2.048) 2.202 2.596 ( -2.853 0.000 -0.854) 2.979 2.620 ( 0.564 0.000 -3.643) 3.687 2.706 ( 0.117 0.000 1.052) 1.059 2.713 ( 1.523 0.000 -0.300) 1.552 2.770 ( 0.883 0.000 -0.948) 1.295 2.797 ( -1.267 0.000 1.980) 2.351 2.818 ( -2.037 0.000 -2.206) 3.003 2.872 ( 0.343 0.000 -1.171) 1.220 2.919 ( -6.495 0.000 4.551) 7.930 2.980 ( 2.611 0.000 2.548) 3.649 2.986 ( -4.502 0.000 2.560) 5.179 3.005 ( -1.875 0.000 -4.744) 5.102 3.047 ( -0.836 0.000 1.569) 1.778 3.310 ( 2.908 0.000 -0.319) 2.925 3.324 ( -0.978 0.000 2.632) 2.808 3.457 ( 0.083 0.000 2.361) 2.362 3.473 ( -1.157 0.000 -2.505) 2.759 3.651 ( 2.600 0.000 0.082) 2.601 3.752 ( 1.039 0.000 1.111) 1.522 3.794 ( -0.484 0.000 0.213) 0.529 3.806 ( -0.759 0.000 0.782) 1.090 3.897 ( -2.343 0.000 -1.043) 2.565 3.926 ( 1.422 0.000 -0.054) 1.423 3.987 ( -0.603 0.000 4.892) 4.929 3.998 ( 0.390 0.000 -3.239) 3.263 4.019 ( 2.564 0.000 1.138) 2.806 4.068 ( 2.860 0.000 0.083) 2.861 4.093 ( -1.051 0.000 -4.008) 4.143 4.095 ( -0.572 0.000 -0.890) 1.058 4.164 ( 0.276 0.000 3.673) 3.683 4.175 ( 3.152 0.000 -3.881) 5.000 4.246 ( -0.264 0.000 4.591) 4.598 4.293 ( 3.252 0.000 -1.247) 3.483 4.331 ( 0.023 0.000 1.596) 1.596 4.348 ( 6.501 0.000 2.417) 6.935 4.375 ( -1.649 0.000 2.523) 3.014 4.405 ( -0.159 0.000 -0.360) 0.394 4.453 ( -0.450 0.000 2.344) 2.386 4.487 ( 1.067 0.000 -1.043) 1.492 4.534 ( -0.177 0.000 -0.469) 0.502 4.570 ( 2.953 0.000 2.894) 4.134 4.578 ( 3.903 0.000 -0.272) 3.912 4.607 ( -0.767 0.000 -0.130) 0.778 4.618 ( 0.799 0.000 -0.022) 0.799 4.655 ( 0.210 0.000 1.372) 1.388 4.696 ( -1.467 0.000 -0.057) 1.468 4.727 ( 0.622 0.000 -2.815) 2.883 4.806 ( 2.087 0.000 -1.181) 2.398 4.831 ( -0.891 0.000 2.860) 2.995 4.898 ( 0.806 0.000 1.693) 1.875 4.911 ( 0.186 0.000 -0.464) 0.500 4.923 ( -1.442 0.000 -0.746) 1.624 4.978 ( -1.217 0.000 0.870) 1.496 4.995 ( 1.122 0.000 -1.788) 2.111 5.034 ( -0.496 0.000 1.954) 2.016 5.039 ( -0.727 0.000 -2.157) 2.277 5.075 ( 3.196 0.000 -2.328) 3.954 5.112 ( -2.557 0.000 0.630) 2.634 5.128 ( 1.005 0.000 0.052) 1.006 5.148 ( -1.892 0.000 -2.148) 2.863 5.178 ( 1.950 0.000 2.819) 3.428 5.250 ( -1.356 0.000 -2.187) 2.573 5.254 ( -2.710 0.000 -0.723) 2.805 5.313 ( -1.447 0.000 -1.041) 1.783 5.327 ( 1.085 0.000 -3.229) 3.407 5.411 ( -0.558 0.000 1.123) 1.254 5.412 ( -0.703 0.000 -0.270) 0.753 5.491 ( 0.380 0.000 1.618) 1.662 5.611 ( 0.303 0.000 -0.338) 0.454 5.631 ( -0.524 0.000 -2.313) 2.372 5.652 ( 0.424 0.000 1.792) 1.842 5.714 ( 1.441 0.000 2.653) 3.019 5.747 ( 0.502 0.000 -1.223) 1.322 5.775 ( -0.842 0.000 0.160) 0.857 5.783 ( -3.391 0.000 -0.039) 3.391 5.859 ( -0.710 0.000 -0.467) 0.850 5.975 ( -3.386 0.000 2.068) 3.967 6.036 ( -0.646 0.000 -0.685) 0.942 6.122 ( 0.563 0.000 -3.653) 3.696 6.149 ( -0.692 0.000 1.772) 1.902 6.154 ( 0.142 0.000 1.141) 1.150 6.213 ( -1.602 0.000 1.387) 2.119 6.229 ( -1.452 0.000 -2.822) 3.173 6.286 ( 1.654 0.000 -3.858) 4.197 6.355 ( -2.211 0.000 2.298) 3.189 6.401 ( -0.236 0.000 0.236) 0.334 6.414 ( 1.590 0.000 -0.800) 1.780 6.552 ( -1.936 0.000 2.598) 3.240 6.565 ( 1.843 0.000 0.796) 2.007 6.616 ( -2.534 0.000 2.707) 3.708 6.672 ( 2.890 0.000 -2.308) 3.699 6.703 ( -0.615 0.000 0.797) 1.007 6.746 ( -0.110 0.000 6.223) 6.224 6.775 ( 2.114 0.000 -6.102) 6.458 6.844 ( -0.184 0.000 -2.474) 2.481 6.882 ( 0.981 0.000 0.964) 1.375 6.893 ( 0.029 0.000 1.628) 1.628 6.941 ( 0.861 0.000 1.411) 1.653 6.950 ( 0.831 0.000 0.555) 0.999 6.964 ( 1.492 0.000 -0.586) 1.603 7.026 ( 1.331 0.000 -2.227) 2.595 7.117 ( 2.841 0.000 0.022) 2.841 7.179 ( 2.204 0.000 0.928) 2.391 7.194 ( -2.043 0.000 -0.802) 2.195 7.257 ( -1.226 0.000 -0.442) 1.303 7.268 ( -1.358 0.000 -2.271) 2.646 7.274 ( -0.893 0.000 -0.096) 0.898 7.324 ( -1.773 0.000 0.098) 1.776 7.328 ( -1.211 0.000 1.734) 2.115 7.382 ( 0.100 0.000 -3.462) 3.464 7.425 ( 0.942 0.000 4.010) 4.119 7.461 ( -4.171 0.000 -1.397) 4.398 7.489 ( -1.142 0.000 2.945) 3.159 7.573 ( -2.290 0.000 5.646) 6.093 7.638 ( 0.103 0.000 0.539) 0.548 7.658 ( 3.388 0.000 -2.063) 3.967 7.693 ( 1.996 0.000 -2.651) 3.318 7.760 ( -1.215 0.000 2.848) 3.096 7.797 ( 1.218 0.000 -3.954) 4.137 7.861 ( -0.246 0.000 1.544) 1.563 7.927 ( -0.051 0.000 -1.263) 1.264 7.963 ( -0.123 0.000 -4.219) 4.221 7.997 ( 0.660 0.000 0.346) 0.745 8.049 ( -2.352 0.000 2.060) 3.127 8.096 ( -0.974 0.000 -1.884) 2.121 8.113 ( 2.428 0.000 0.900) 2.589 8.125 ( -1.405 0.000 -0.920) 1.679 8.143 ( 0.222 0.000 -0.510) 0.557 8.190 ( 3.834 0.000 -0.173) 3.838 8.234 ( 0.404 0.000 1.694) 1.741 8.317 ( 3.512 0.000 -2.291) 4.193 8.390 ( -1.742 0.000 4.272) 4.613 8.407 ( 0.323 0.000 -0.840) 0.900 8.528 ( 1.307 0.000 -0.640) 1.455 8.542 ( -1.321 0.000 -1.151) 1.752 8.735 ( -0.625 0.000 0.144) 0.641 8.741 ( 2.975 0.000 2.131) 3.660 8.756 ( 0.422 0.000 -1.918) 1.964 8.910 ( 4.256 0.000 -0.477) 4.283 9.018 ( -1.438 0.000 1.480) 2.064 9.102 ( 0.369 0.000 -0.866) 0.941 9.129 ( -4.497 0.000 -0.832) 4.574 9.252 ( -2.229 0.000 1.486) 2.679 9.272 ( 0.721 0.000 -1.959) 2.088 9.288 ( -0.973 0.000 1.493) 1.782 11.484 ( 1.697 0.000 -0.277) 1.720 11.512 ( 1.787 0.000 0.700) 1.919 11.584 ( -1.569 0.000 0.767) 1.746 11.592 ( -1.021 0.000 -1.153) 1.541 11.673 ( -0.427 0.000 0.286) 0.514 11.691 ( 0.295 0.000 -0.125) 0.320 11.740 ( -1.724 0.000 -0.242) 1.741 11.750 ( -1.136 0.000 -0.072) 1.138 12.088 ( -0.131 0.000 -0.163) 0.209 12.092 ( -0.157 0.000 0.234) 0.281 12.108 ( -0.483 0.000 0.729) 0.874 12.115 ( 0.074 0.000 -0.703) 0.707 14.476 ( -2.090 0.000 0.410) 2.130 14.544 ( -1.482 0.000 -0.916) 1.743 14.648 ( -0.451 0.000 -0.394) 0.599 14.729 ( 1.595 0.000 -0.407) 1.646 14.813 ( -0.567 0.000 -1.011) 1.160 14.825 ( 0.946 0.000 0.348) 1.008 14.860 ( -1.450 0.000 -0.753) 1.634 14.922 ( -1.565 0.000 -2.164) 2.671 15.095 ( 0.095 0.000 1.182) 1.185 15.096 ( 0.281 0.000 0.548) 0.616 15.175 ( -0.420 0.000 0.022) 0.421 15.250 ( -0.305 0.000 -3.457) 3.470 15.344 ( 2.458 0.000 6.874) 7.300 15.493 ( 2.246 0.000 1.356) 2.623 15.563 ( 0.319 0.000 -0.039) 0.321 15.575 ( 0.657 0.000 0.956) 1.160 15.943 ( -0.730 0.000 1.580) 1.740 15.989 ( 0.554 0.000 -1.711) 1.798 16.142 ( -2.484 0.000 -2.447) 3.487 16.175 ( -2.074 0.000 1.892) 2.807 16.384 ( -0.639 0.000 1.089) 1.263 16.408 ( 0.458 0.000 -1.632) 1.695 16.513 ( -0.448 0.000 0.879) 0.986 16.562 ( 0.057 0.000 -0.185) 0.194 16.602 ( 2.059 0.000 4.587) 5.027 16.637 ( 3.929 0.000 -2.648) 4.738 16.688 ( 0.761 0.000 1.571) 1.745 16.742 ( 0.090 0.000 -0.780) 0.785 16.807 ( -0.523 0.000 0.977) 1.108 16.876 ( 0.837 0.000 -0.699) 1.090 17.128 ( -0.680 0.000 0.629) 0.926 17.173 ( -1.316 0.000 -5.908) 6.053 17.924 ( -1.008 0.000 1.154) 1.533 17.985 ( -0.338 0.000 -3.316) 3.333 18.040 ( -1.461 0.000 -1.995) 2.473 18.050 ( -0.849 0.000 0.702) 1.102 ======================= Grid point 30 (15/24) ======================= q-point: ( 0.00 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.568 ( 2.258 12.108 14.748) 19.215 0.618 ( 0.775 14.361 15.506) 21.148 0.869 ( -2.748 6.283 -12.560) 14.310 0.983 ( 1.856 6.988 -11.421) 13.518 1.084 ( -7.082 13.969 21.526) 26.621 1.356 ( -2.291 -7.639 1.436) 8.103 1.377 ( 0.692 -3.101 4.862) 5.808 1.419 ( 0.167 -7.136 -4.950) 8.686 1.468 ( 2.551 -5.555 -4.712) 7.718 1.539 ( 0.471 -2.152 -4.861) 5.337 1.611 ( -2.192 -1.460 -2.539) 3.658 1.662 ( 0.603 -2.037 -0.904) 2.308 1.737 ( 3.179 -2.766 -2.524) 4.912 1.750 ( 2.826 3.482 2.593) 5.180 1.847 ( 5.083 6.612 -8.300) 11.766 1.905 ( -0.399 -1.244 2.821) 3.109 1.908 ( -1.355 1.103 -4.198) 4.547 2.012 ( -3.168 -4.456 0.529) 5.493 2.047 ( -1.568 1.716 2.852) 3.679 2.117 ( -0.091 -1.114 -1.885) 2.192 2.161 ( 2.786 -0.118 0.758) 2.889 2.194 ( 0.575 3.364 1.390) 3.685 2.215 ( -4.212 0.109 0.848) 4.298 2.229 ( -0.387 -0.003 -0.171) 0.423 2.261 ( -0.704 -0.378 4.422) 4.494 2.331 ( -1.175 -0.773 -2.195) 2.607 2.344 ( -1.818 -0.745 1.503) 2.474 2.367 ( 2.454 -3.462 -0.495) 4.273 2.393 ( 2.053 -1.970 -1.395) 3.169 2.409 ( 0.764 -1.021 -0.564) 1.395 2.462 ( -1.448 -0.442 -1.965) 2.481 2.489 ( 3.199 -2.868 -3.123) 5.312 2.530 ( 0.171 -1.629 2.232) 2.768 2.571 ( -2.140 0.136 -1.748) 2.767 2.575 ( -0.315 -0.314 0.095) 0.455 2.603 ( 1.121 2.986 0.918) 3.319 2.633 ( 3.167 0.687 0.988) 3.388 2.684 ( -2.224 1.648 -0.715) 2.859 2.728 ( -1.406 -0.068 2.797) 3.132 2.744 ( 1.235 1.266 -0.056) 1.770 2.801 ( 2.358 -1.882 0.267) 3.029 2.843 ( -3.222 0.630 -0.166) 3.288 2.853 ( -1.323 0.635 -0.656) 1.608 2.910 ( -0.332 1.402 0.886) 1.692 2.950 ( 0.344 1.308 0.018) 1.353 2.996 ( 0.931 2.579 -0.231) 2.752 3.025 ( 0.693 -0.001 0.151) 0.709 3.041 ( -0.252 2.741 -1.250) 3.023 3.328 ( -0.583 2.129 1.985) 2.969 3.361 ( -0.474 2.528 -0.883) 2.719 3.459 ( -1.084 -0.188 1.438) 1.811 3.473 ( 1.889 0.188 0.401) 1.941 3.744 ( 3.614 -0.124 3.069) 4.743 3.783 ( -1.317 -0.467 1.797) 2.276 3.793 ( -1.658 1.134 -0.669) 2.117 3.818 ( 1.459 0.864 -0.814) 1.881 3.851 ( 0.720 -0.675 0.918) 1.348 3.916 ( -1.639 0.165 -3.546) 3.911 3.936 ( -1.782 0.097 -0.017) 1.785 3.974 ( 1.625 -1.287 -2.718) 3.418 4.034 ( -0.547 -1.544 0.958) 1.897 4.047 ( -0.099 -2.933 2.437) 3.815 4.107 ( -0.609 1.583 -1.999) 2.622 4.127 ( 1.851 -1.132 1.338) 2.549 4.149 ( 0.059 -1.462 0.307) 1.495 4.196 ( -0.952 -1.851 -2.865) 3.542 4.261 ( -2.044 -1.224 2.634) 3.552 4.298 ( 1.502 -2.305 0.614) 2.818 4.309 ( 0.696 -7.100 1.796) 7.357 4.338 ( -0.726 -1.821 0.085) 1.962 4.398 ( 2.708 -1.806 2.613) 4.174 4.405 ( -2.188 0.897 -0.190) 2.372 4.444 ( -1.432 -3.034 0.178) 3.360 4.459 ( -0.622 1.283 -1.366) 1.974 4.521 ( -2.839 -2.376 4.442) 5.783 4.576 ( -0.020 -1.407 -0.777) 1.608 4.587 ( 0.112 -2.127 -1.416) 2.558 4.621 ( 1.759 -2.664 -3.653) 4.851 4.666 ( 0.440 1.164 2.183) 2.513 4.672 ( 0.916 1.120 0.295) 1.477 4.712 ( 0.061 -1.574 1.769) 2.368 4.744 ( 1.211 -1.899 0.008) 2.252 4.782 ( -1.534 -1.751 2.567) 3.465 4.843 ( 3.171 -1.112 -1.645) 3.741 4.851 ( -1.514 -0.045 -0.165) 1.523 4.891 ( -1.074 0.426 -3.828) 3.999 4.916 ( 0.891 -1.139 0.380) 1.496 4.933 ( 0.476 0.908 -1.140) 1.533 4.997 ( -0.999 1.343 1.418) 2.194 5.028 ( -1.390 1.228 -0.571) 1.941 5.060 ( -0.141 2.504 -0.016) 2.508 5.085 ( -0.893 4.041 0.366) 4.155 5.111 ( -1.137 0.797 0.927) 1.670 5.128 ( -0.149 1.268 -2.144) 2.496 5.188 ( 0.624 1.536 -1.386) 2.161 5.209 ( -0.446 1.691 -1.100) 2.066 5.229 ( -0.185 3.794 -0.802) 3.882 5.257 ( 0.699 1.194 -1.903) 2.353 5.331 ( 0.119 3.250 2.497) 4.100 5.363 ( 0.049 3.043 -1.070) 3.226 5.407 ( 0.079 1.442 0.704) 1.607 5.419 ( 1.246 -0.020 0.817) 1.490 5.519 ( 0.683 0.653 0.941) 1.334 5.556 ( -1.718 -0.338 -3.092) 3.553 5.630 ( 0.384 0.100 3.986) 4.006 5.688 ( 0.760 -1.515 1.230) 2.094 5.714 ( -1.608 -0.427 -1.538) 2.266 5.740 ( 1.704 1.515 -1.388) 2.670 5.811 ( -0.374 4.121 -0.101) 4.140 5.834 ( 0.687 4.636 -0.943) 4.781 5.901 ( 1.909 -0.101 3.955) 4.393 5.947 ( -2.294 0.388 1.157) 2.599 5.992 ( 0.100 -2.432 1.190) 2.709 6.074 ( 0.369 -1.568 -4.290) 4.582 6.111 ( 0.110 -2.608 1.546) 3.033 6.151 ( -0.333 -1.416 -0.293) 1.484 6.198 ( -2.153 2.564 -0.757) 3.433 6.218 ( 1.074 2.559 -1.431) 3.122 6.302 ( -2.365 -0.156 0.637) 2.454 6.349 ( 5.095 0.502 -3.825) 6.391 6.390 ( -0.653 -1.807 -0.309) 1.946 6.402 ( 2.150 -1.625 -1.362) 3.020 6.510 ( -1.834 -4.812 3.314) 6.124 6.559 ( 0.795 -3.392 -0.280) 3.495 6.589 ( -2.359 0.521 3.407) 4.177 6.653 ( -0.400 -0.140 -1.422) 1.484 6.691 ( -1.859 -0.549 1.840) 2.672 6.721 ( -2.209 -0.134 0.550) 2.281 6.816 ( 5.394 -2.421 -1.646) 6.137 6.822 ( -1.944 -2.643 -1.468) 3.595 6.912 ( -1.872 1.111 1.025) 2.406 6.922 ( 1.149 0.707 0.809) 1.573 6.935 ( -1.384 2.407 1.245) 3.043 6.958 ( 0.389 1.886 0.190) 1.935 6.982 ( 0.654 -1.247 -0.939) 1.693 7.000 ( 0.555 -1.242 -3.322) 3.590 7.136 ( 0.655 -1.126 0.467) 1.384 7.146 ( 2.260 -3.168 0.552) 3.931 7.172 ( -2.406 -3.010 -0.752) 3.926 7.195 ( -1.249 -2.819 -2.226) 3.803 7.271 ( 1.082 -0.230 2.375) 2.620 7.282 ( 1.266 0.514 0.829) 1.598 7.307 ( -0.388 -0.625 0.724) 1.032 7.331 ( 0.498 0.270 0.925) 1.085 7.349 ( 0.842 -0.929 -0.753) 1.463 7.402 ( -1.961 1.400 -3.327) 4.108 7.488 ( 1.050 1.131 1.735) 2.322 7.500 ( -0.692 0.262 0.857) 1.132 7.620 ( -0.257 2.027 3.710) 4.236 7.678 ( -2.292 -1.492 -0.713) 2.826 7.700 ( 3.300 1.170 1.026) 3.648 7.711 ( -0.188 2.858 -2.721) 3.951 7.771 ( -0.545 -0.333 2.988) 3.056 7.802 ( 0.049 -0.065 -0.395) 0.403 7.828 ( 1.695 1.858 -4.613) 5.254 7.869 ( -2.170 1.707 -4.178) 5.008 7.969 ( -0.052 -1.408 0.556) 1.515 7.997 ( 2.374 -1.076 -2.068) 3.327 8.039 ( -0.728 0.135 2.003) 2.136 8.070 ( 0.510 1.672 -1.079) 2.054 8.104 ( 1.082 -0.424 0.065) 1.163 8.122 ( -0.202 0.686 -1.759) 1.899 8.200 ( -0.125 0.715 2.957) 3.044 8.239 ( -1.084 0.425 0.129) 1.172 8.290 ( 0.601 2.630 0.957) 2.863 8.324 ( -2.322 -0.233 -0.668) 2.428 8.368 ( 0.476 -1.082 4.743) 4.888 8.460 ( -0.824 -0.883 -1.132) 1.655 8.491 ( -1.083 0.310 0.214) 1.147 8.540 ( 1.868 0.685 -2.918) 3.531 8.693 ( -1.334 -1.663 0.902) 2.315 8.712 ( -1.246 -1.189 -0.751) 1.879 8.806 ( -2.455 -0.374 1.365) 2.834 8.817 ( 2.084 0.157 0.048) 2.091 9.022 ( 0.884 1.472 3.143) 3.582 9.090 ( -0.040 0.303 -2.332) 2.352 9.170 ( 2.510 -1.427 1.294) 3.164 9.187 ( -2.652 -0.096 -0.142) 2.658 9.270 ( -1.277 0.009 0.715) 1.463 9.288 ( 1.698 -0.776 -0.735) 2.006 11.518 ( -0.466 -0.227 0.365) 0.634 11.527 ( 1.116 -0.008 -0.409) 1.189 11.556 ( -1.629 -0.014 1.036) 1.931 11.578 ( 1.100 -0.398 -0.881) 1.464 11.683 ( 0.191 0.803 0.488) 0.959 11.696 ( -0.359 0.689 -0.592) 0.977 11.721 ( 0.438 0.097 0.323) 0.553 11.729 ( -0.316 -0.128 -0.378) 0.509 12.089 ( 0.147 0.060 0.068) 0.172 12.090 ( -0.076 0.060 -0.096) 0.136 12.105 ( -0.396 0.261 0.449) 0.653 12.115 ( 0.312 -0.007 -0.441) 0.540 14.488 ( 0.588 1.899 0.396) 2.027 14.515 ( -0.902 1.565 -2.085) 2.759 14.653 ( 0.850 0.357 4.109) 4.211 14.744 ( -1.943 0.365 -4.613) 5.018 14.790 ( -0.534 -0.739 0.772) 1.194 14.805 ( 0.985 0.039 -0.530) 1.119 14.843 ( 0.194 0.201 0.173) 0.329 14.855 ( -0.925 0.398 -0.997) 1.417 15.111 ( 0.288 0.970 1.654) 1.939 15.127 ( 0.219 1.468 0.188) 1.496 15.180 ( 0.025 0.409 0.761) 0.864 15.207 ( -0.541 -0.035 -1.474) 1.570 15.479 ( 4.320 -6.076 4.751) 8.840 15.514 ( -1.365 -2.101 0.063) 2.506 15.547 ( 0.586 -2.156 0.993) 2.445 15.564 ( -0.602 -1.479 -0.367) 1.638 15.965 ( -0.409 1.990 1.991) 2.845 16.019 ( 0.018 2.061 -2.962) 3.609 16.114 ( 1.227 -1.676 0.818) 2.233 16.130 ( 0.491 -0.833 -0.604) 1.139 16.376 ( -0.044 -0.208 0.559) 0.598 16.408 ( 0.277 -0.218 -1.975) 2.007 16.523 ( -0.157 -0.697 1.809) 1.945 16.541 ( -1.221 -2.275 0.871) 2.725 16.585 ( -0.604 -1.749 1.804) 2.584 16.599 ( -0.734 -3.706 0.948) 3.895 16.706 ( -0.347 -0.875 0.141) 0.951 16.730 ( 1.964 -0.042 -1.433) 2.432 16.915 ( 0.488 4.373 0.937) 4.499 16.981 ( -2.095 6.187 -5.480) 8.526 17.059 ( 1.737 -0.459 2.157) 2.807 17.103 ( -0.282 -0.261 -1.651) 1.695 17.954 ( -0.634 1.820 -0.297) 1.950 17.969 ( 0.567 2.902 -2.362) 3.785 18.034 ( 0.542 0.010 0.103) 0.552 18.036 ( -0.187 0.002 -0.067) 0.199 ======================= Grid point 31 (16/24) ======================= q-point: ( 0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.724 ( -0.005 6.779 -13.743) 15.324 0.740 ( 4.977 6.931 13.569) 16.029 0.785 ( 3.938 9.036 10.117) 14.125 1.014 ( 11.148 5.962 -11.381) 17.010 1.189 ( -0.303 3.375 11.628) 12.112 1.300 ( -6.335 -2.963 2.231) 7.341 1.328 ( -3.849 -2.698 -2.963) 5.557 1.434 ( -0.431 -5.936 -3.102) 6.711 1.460 ( -2.474 -5.977 -3.244) 7.236 1.490 ( 1.883 0.523 10.144) 10.330 1.597 ( -3.518 -4.557 -1.529) 5.957 1.653 ( 0.551 -4.798 -1.595) 5.086 1.763 ( 2.898 2.469 -4.433) 5.843 1.787 ( -2.420 0.471 4.311) 4.966 1.833 ( 3.022 1.628 -9.891) 10.470 1.864 ( -1.486 1.139 -0.676) 1.991 1.912 ( -1.232 4.642 -4.368) 6.492 1.957 ( -2.559 1.925 3.504) 4.747 1.982 ( -2.873 -0.890 1.563) 3.389 2.032 ( -7.724 -2.687 1.713) 8.356 2.107 ( -2.792 -2.816 2.460) 4.667 2.172 ( -1.261 -1.767 -2.750) 3.503 2.197 ( -1.092 -0.282 -0.051) 1.129 2.227 ( -2.718 -3.025 2.514) 4.781 2.268 ( 1.129 4.204 -3.134) 5.364 2.311 ( -1.525 0.302 2.375) 2.838 2.313 ( 1.472 2.351 1.067) 2.972 2.372 ( -1.477 -0.716 -0.193) 1.653 2.401 ( 0.100 0.430 1.516) 1.579 2.425 ( 0.155 -1.469 -4.814) 5.035 2.457 ( -2.248 -1.346 0.513) 2.670 2.512 ( -2.524 -0.609 1.740) 3.125 2.520 ( 0.447 0.617 2.718) 2.822 2.543 ( -0.169 0.794 -0.930) 1.235 2.598 ( 3.037 1.739 -0.131) 3.502 2.625 ( 0.310 5.637 -2.143) 6.039 2.641 ( 2.932 -1.860 -3.220) 4.736 2.671 ( -3.597 -2.688 -1.149) 4.635 2.731 ( 1.550 0.881 0.424) 1.832 2.760 ( 1.066 -1.294 -0.052) 1.678 2.810 ( 1.417 1.634 -3.436) 4.061 2.828 ( 0.473 -0.467 1.499) 1.640 2.870 ( 1.144 2.583 6.383) 6.980 2.900 ( -1.627 2.678 0.349) 3.153 2.943 ( 1.163 -0.590 -0.673) 1.468 3.021 ( 0.183 0.646 0.154) 0.688 3.042 ( 2.373 -1.355 -1.107) 2.948 3.104 ( 4.097 1.884 -0.113) 4.511 3.325 ( -1.518 4.418 0.437) 4.692 3.350 ( -1.874 0.953 1.248) 2.445 3.420 ( -1.587 -1.590 0.955) 2.441 3.513 ( 1.509 -0.659 -1.696) 2.364 3.699 ( -3.136 1.307 -2.886) 4.458 3.766 ( -0.694 0.921 1.981) 2.292 3.820 ( -1.190 0.858 -2.600) 2.985 3.829 ( 1.161 -2.029 -0.633) 2.422 3.880 ( 1.905 0.682 -0.205) 2.034 3.905 ( 1.529 -1.644 2.777) 3.571 3.931 ( 0.944 -1.334 1.219) 2.039 3.992 ( -0.074 -1.077 0.141) 1.089 4.014 ( -0.453 -1.108 -1.002) 1.561 4.027 ( -2.151 -2.906 -1.731) 4.009 4.066 ( -2.942 -1.784 2.573) 4.297 4.078 ( -3.117 -1.363 0.629) 3.460 4.144 ( -1.434 0.034 -5.030) 5.231 4.187 ( -0.950 -2.004 4.258) 4.801 4.278 ( -0.666 -3.307 4.661) 5.753 4.289 ( -2.961 -0.685 -1.378) 3.337 4.305 ( 0.293 -1.461 -2.223) 2.677 4.331 ( 0.583 -2.932 -1.330) 3.272 4.358 ( -1.897 0.285 1.565) 2.476 4.428 ( 0.082 0.479 1.716) 1.784 4.443 ( 0.121 -0.840 0.317) 0.905 4.473 ( 1.446 1.156 -0.306) 1.876 4.489 ( -1.790 0.681 1.898) 2.696 4.552 ( -2.989 -0.782 2.014) 3.688 4.584 ( -0.890 -1.757 -0.817) 2.132 4.619 ( -2.159 -0.736 -0.596) 2.357 4.651 ( 0.268 -1.141 -0.575) 1.305 4.677 ( 0.584 1.682 -0.871) 1.982 4.688 ( 0.685 0.223 -0.608) 0.942 4.727 ( -0.516 0.678 -1.542) 1.762 4.782 ( -1.261 -2.857 1.115) 3.316 4.833 ( 0.636 0.819 0.165) 1.050 4.879 ( 0.704 -1.710 0.429) 1.899 4.884 ( 1.143 -1.003 -0.480) 1.594 4.925 ( 0.473 -1.679 -0.537) 1.826 4.968 ( 2.524 -1.306 -2.433) 3.741 4.999 ( -0.996 0.077 2.566) 2.754 5.048 ( 0.912 3.164 2.902) 4.389 5.050 ( -0.676 3.393 -1.166) 3.651 5.066 ( 0.263 2.004 -1.095) 2.299 5.089 ( -0.918 1.675 1.464) 2.407 5.127 ( -1.203 1.995 0.655) 2.420 5.174 ( -1.206 1.472 1.497) 2.421 5.205 ( 0.243 -1.421 -0.094) 1.444 5.234 ( 1.168 2.228 -1.013) 2.712 5.245 ( 0.659 2.305 -0.818) 2.533 5.322 ( -1.167 3.410 1.186) 3.794 5.367 ( 0.249 2.996 -1.198) 3.237 5.422 ( 0.069 0.472 -0.292) 0.559 5.434 ( 0.099 -0.165 -0.613) 0.643 5.519 ( 0.325 -0.777 -0.854) 1.199 5.554 ( 1.753 0.784 2.321) 3.013 5.617 ( -3.748 -1.437 -1.111) 4.165 5.703 ( 1.999 2.230 3.242) 4.414 5.715 ( 1.643 1.433 -4.254) 4.780 5.767 ( 2.325 -0.061 0.531) 2.386 5.834 ( 0.234 3.127 -2.861) 4.245 5.851 ( 1.742 3.892 0.399) 4.283 5.894 ( -0.909 1.225 -1.440) 2.097 5.957 ( 0.050 -1.415 3.496) 3.772 6.027 ( 0.799 -1.839 1.410) 2.452 6.063 ( 1.844 -0.815 -3.250) 3.824 6.145 ( 0.844 -2.457 -0.683) 2.686 6.151 ( 1.103 -2.131 -0.321) 2.421 6.177 ( 0.680 0.945 2.692) 2.933 6.232 ( 0.907 1.955 -0.202) 2.165 6.279 ( 0.756 0.898 -0.876) 1.465 6.369 ( -0.271 -2.984 -2.555) 3.937 6.396 ( 0.535 -1.306 -2.067) 2.503 6.442 ( 2.099 -0.382 -0.956) 2.338 6.496 ( -2.284 -4.842 2.679) 5.987 6.570 ( -1.571 -3.357 2.535) 4.490 6.589 ( 0.979 -0.506 3.380) 3.555 6.629 ( -2.924 1.361 1.621) 3.610 6.645 ( -0.194 -1.084 0.122) 1.108 6.681 ( -1.403 0.894 0.167) 1.672 6.790 ( -0.371 -3.094 -1.373) 3.406 6.882 ( 1.530 -1.654 -0.002) 2.253 6.888 ( -0.238 3.153 -0.483) 3.198 6.924 ( -1.194 0.746 -0.348) 1.450 6.950 ( -0.907 1.698 1.292) 2.318 6.960 ( 1.148 -0.121 -0.867) 1.444 6.993 ( 0.534 -1.025 0.016) 1.156 6.997 ( 1.693 0.424 -1.706) 2.440 7.095 ( -2.406 -1.180 -1.115) 2.902 7.175 ( 0.995 -1.483 2.126) 2.777 7.183 ( 1.873 -0.176 -0.989) 2.125 7.212 ( 1.374 -2.421 0.886) 2.921 7.275 ( -1.983 1.798 -1.928) 3.299 7.289 ( -0.432 -0.531 -0.232) 0.723 7.314 ( 0.879 -0.546 0.992) 1.433 7.334 ( 1.206 -1.324 -1.552) 2.370 7.373 ( 1.214 1.586 -0.150) 2.003 7.418 ( 3.005 -0.910 1.921) 3.681 7.495 ( 0.090 -0.737 -0.730) 1.042 7.514 ( 0.167 0.520 1.241) 1.355 7.587 ( -4.096 0.220 2.181) 4.646 7.614 ( -1.261 -2.092 -1.980) 3.144 7.667 ( -1.557 2.780 -0.202) 3.193 7.745 ( -0.761 1.782 -0.692) 2.058 7.773 ( 0.587 0.406 2.049) 2.169 7.828 ( 0.951 0.288 -3.057) 3.214 7.841 ( 0.433 -0.120 2.707) 2.744 7.844 ( 2.281 0.218 -1.253) 2.612 7.945 ( -1.002 -0.898 -1.685) 2.157 8.000 ( -2.065 0.170 -0.126) 2.076 8.029 ( -1.669 -1.438 0.796) 2.342 8.075 ( 1.835 -0.422 -1.453) 2.378 8.103 ( -1.690 -1.722 1.098) 2.651 8.156 ( 3.121 1.525 -2.194) 4.109 8.175 ( -1.639 0.531 -1.094) 2.041 8.200 ( -2.128 1.504 1.547) 3.030 8.283 ( 0.495 0.772 1.308) 1.597 8.312 ( -1.136 2.530 0.048) 2.774 8.384 ( -3.340 2.457 2.245) 4.715 8.449 ( 1.164 -1.960 0.275) 2.296 8.482 ( 0.873 0.049 -0.600) 1.061 8.538 ( -0.671 1.752 -0.734) 2.014 8.653 ( 0.339 -3.914 2.157) 4.482 8.732 ( -0.961 -3.483 -1.003) 3.750 8.789 ( -0.236 0.906 -0.345) 0.998 8.821 ( -2.135 -1.283 1.258) 2.790 9.067 ( 1.164 1.568 -1.336) 2.366 9.097 ( 2.019 2.402 2.149) 3.803 9.163 ( 2.472 0.372 -2.509) 3.542 9.207 ( -1.327 -1.356 2.476) 3.120 9.282 ( 2.329 0.370 -0.583) 2.429 9.313 ( 1.006 -0.188 -0.487) 1.133 11.485 ( -1.645 0.142 -0.141) 1.657 11.512 ( -2.071 -0.482 0.331) 2.152 11.571 ( 1.527 0.015 0.257) 1.549 11.597 ( 1.083 -0.509 -0.691) 1.382 11.689 ( 0.142 0.800 0.244) 0.848 11.696 ( 0.518 1.164 -0.138) 1.281 11.736 ( 1.105 -0.326 -0.101) 1.156 11.747 ( 1.499 -0.007 0.112) 1.504 12.088 ( 0.055 0.142 -0.125) 0.197 12.093 ( 0.151 -0.082 0.055) 0.181 12.104 ( -0.056 0.356 0.480) 0.601 12.121 ( 0.449 -0.112 -0.382) 0.600 14.508 ( 1.628 1.373 -0.691) 2.239 14.537 ( 2.847 2.068 0.816) 3.613 14.665 ( -1.474 -0.156 -1.267) 1.950 14.728 ( 0.963 1.980 1.788) 2.836 14.779 ( -0.035 -1.097 0.287) 1.135 14.833 ( 0.161 0.058 0.095) 0.196 14.839 ( 0.452 -0.848 -1.225) 1.557 14.864 ( 1.540 -0.530 1.621) 2.298 15.116 ( -0.134 1.047 -0.093) 1.059 15.138 ( 0.416 1.178 -0.735) 1.449 15.181 ( -0.497 -0.064 -0.021) 0.501 15.194 ( -0.063 0.432 1.033) 1.121 15.446 ( -2.861 -1.570 -2.950) 4.400 15.525 ( -0.972 -0.773 -1.119) 1.672 15.532 ( -1.007 -3.213 0.784) 3.457 15.561 ( -0.610 -2.137 0.715) 2.335 15.971 ( -0.661 2.166 2.079) 3.074 16.004 ( 0.563 1.837 -2.136) 2.873 16.111 ( 0.719 -1.130 -0.355) 1.385 16.179 ( 1.621 -4.042 -0.959) 4.459 16.382 ( -0.017 0.385 0.545) 0.668 16.404 ( 0.900 -0.362 -1.272) 1.600 16.516 ( -1.700 -1.581 2.382) 3.326 16.533 ( -0.323 -0.376 0.758) 0.905 16.573 ( -0.786 0.612 0.522) 1.125 16.586 ( -0.964 -4.306 0.453) 4.436 16.693 ( 0.272 0.388 -0.715) 0.858 16.779 ( 1.969 -0.562 -1.217) 2.382 16.873 ( -3.291 5.219 -0.420) 6.184 16.922 ( -1.354 4.783 0.818) 5.037 17.072 ( 0.134 -2.298 0.084) 2.303 17.135 ( 1.547 -1.734 -1.014) 2.535 17.933 ( 0.035 0.950 0.384) 1.026 17.976 ( -0.327 0.551 -0.346) 0.728 18.041 ( 0.613 1.091 -0.316) 1.291 18.063 ( 1.773 0.049 -0.483) 1.838 ======================= Grid point 32 (17/24) ======================= q-point: ( 0.40 0.20 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.726 ( 8.409 4.696 -3.617) 10.288 0.962 ( 6.964 7.491 5.318) 11.528 0.982 ( 6.711 -0.028 5.696) 8.803 1.076 ( -9.086 -1.512 -3.274) 9.775 1.136 ( 1.655 -1.354 -7.712) 8.003 1.218 ( -2.541 1.033 4.737) 5.473 1.321 ( 2.042 0.705 5.149) 5.583 1.377 ( -5.720 -3.706 -3.971) 7.888 1.411 ( -0.839 -2.762 -2.330) 3.710 1.432 ( -0.143 -6.376 0.011) 6.378 1.575 ( -0.154 1.542 4.857) 5.098 1.660 ( -7.083 1.824 2.990) 7.902 1.692 ( -0.449 -3.523 0.088) 3.552 1.772 ( -6.053 0.020 3.303) 6.895 1.794 ( 0.928 -0.489 -0.206) 1.069 1.837 ( 2.572 0.723 -10.421) 10.758 1.846 ( -6.035 0.713 -2.067) 6.419 1.930 ( 2.537 2.564 -7.346) 8.184 1.958 ( -0.157 -4.118 3.259) 5.255 1.967 ( 0.207 -3.294 1.055) 3.465 2.099 ( -0.275 -3.313 0.274) 3.335 2.141 ( 0.133 -3.068 -2.343) 3.863 2.172 ( -1.903 -0.940 2.139) 3.013 2.202 ( -0.010 -0.348 0.712) 0.792 2.290 ( 2.246 3.015 -2.674) 4.614 2.317 ( 1.374 2.602 0.260) 2.954 2.336 ( -3.976 1.997 1.692) 4.760 2.354 ( -0.316 1.504 -2.006) 2.527 2.387 ( 2.153 2.395 0.584) 3.273 2.402 ( 0.568 1.094 2.821) 3.079 2.440 ( -1.018 -0.253 2.179) 2.418 2.488 ( -2.294 4.455 2.612) 5.651 2.518 ( -0.698 1.255 1.742) 2.258 2.529 ( -1.463 3.466 3.792) 5.342 2.584 ( -0.751 -1.630 -1.190) 2.153 2.630 ( 1.296 2.193 -1.491) 2.952 2.683 ( 0.436 -2.045 -1.095) 2.361 2.694 ( 3.748 3.752 -2.713) 5.956 2.735 ( 3.771 -0.590 -0.851) 3.911 2.778 ( -0.842 1.876 -0.841) 2.221 2.814 ( -0.712 0.464 0.221) 0.878 2.848 ( 1.112 0.031 -0.628) 1.278 2.872 ( 0.566 1.499 0.300) 1.630 2.954 ( -0.516 -0.454 -0.179) 0.711 2.979 ( 0.783 0.525 2.796) 2.951 3.027 ( 1.687 -1.501 1.950) 2.984 3.062 ( 0.397 -1.109 -1.626) 2.008 3.146 ( 0.799 0.856 -2.863) 3.093 3.269 ( -2.357 2.777 -1.364) 3.890 3.280 ( -3.497 0.376 -0.278) 3.528 3.426 ( -1.273 0.151 4.255) 4.444 3.514 ( 0.906 -0.955 -3.239) 3.496 3.663 ( 1.272 0.937 -1.368) 2.090 3.751 ( -2.093 -0.885 -4.175) 4.753 3.801 ( 2.273 0.350 2.096) 3.111 3.845 ( 0.826 -0.970 -0.368) 1.326 3.903 ( -1.454 -1.236 -0.836) 2.083 3.920 ( -2.861 -2.889 -1.566) 4.357 3.948 ( -0.581 -1.472 0.346) 1.620 3.963 ( 0.572 -1.896 2.506) 3.194 3.987 ( -0.092 -4.179 1.371) 4.399 4.024 ( 1.649 -1.760 -1.185) 2.687 4.039 ( -0.014 -3.984 -0.108) 3.986 4.048 ( -1.622 -0.870 -0.049) 1.842 4.106 ( 1.632 2.516 -0.122) 3.002 4.168 ( -3.846 -0.497 2.520) 4.625 4.189 ( -3.861 -1.113 1.163) 4.183 4.252 ( -1.392 0.884 -2.474) 2.973 4.319 ( -0.683 2.188 0.115) 2.295 4.329 ( 1.136 -1.499 -1.625) 2.486 4.356 ( -0.054 -0.300 3.575) 3.588 4.433 ( -0.200 -0.134 -0.434) 0.497 4.461 ( -1.209 1.013 -0.945) 1.839 4.462 ( 1.169 2.221 2.115) 3.282 4.501 ( 0.564 0.688 2.819) 2.956 4.517 ( -1.016 -0.652 -0.599) 1.347 4.558 ( 0.320 0.702 0.262) 0.815 4.616 ( -1.541 0.298 2.752) 3.168 4.638 ( -0.542 1.114 -2.069) 2.412 4.682 ( 1.916 -0.661 -3.460) 4.010 4.713 ( -0.419 1.952 1.817) 2.700 4.733 ( 2.997 0.580 -2.058) 3.682 4.791 ( 1.341 -2.501 1.243) 3.098 4.839 ( 0.237 0.928 -0.353) 1.020 4.873 ( -1.048 -3.205 -0.051) 3.372 4.899 ( -0.447 -2.011 1.011) 2.295 4.914 ( -0.912 -1.764 0.335) 2.014 4.950 ( -3.259 0.826 -0.882) 3.476 4.992 ( 0.274 0.605 -1.841) 1.957 5.025 ( 0.036 2.900 -2.872) 4.082 5.058 ( -0.300 2.721 2.216) 3.522 5.094 ( -0.097 0.331 3.273) 3.291 5.106 ( 1.479 1.513 1.137) 2.402 5.121 ( 0.378 3.487 0.826) 3.604 5.196 ( 1.233 1.378 2.726) 3.294 5.208 ( 1.259 -2.330 0.339) 2.670 5.259 ( 0.538 0.087 -0.014) 0.545 5.280 ( -0.299 1.205 1.434) 1.897 5.286 ( -0.729 -2.923 0.045) 3.012 5.360 ( -0.242 4.837 -0.709) 4.894 5.402 ( -0.804 -2.019 -1.401) 2.586 5.421 ( -0.870 -0.208 -0.594) 1.073 5.532 ( 1.060 -0.316 -1.093) 1.555 5.545 ( -1.654 0.482 -1.372) 2.202 5.616 ( 1.607 2.402 2.928) 4.114 5.719 ( 1.350 -0.168 -1.457) 1.993 5.744 ( 0.511 1.360 -4.059) 4.311 5.798 ( -1.147 1.194 -1.872) 2.499 5.816 ( 0.202 2.886 0.852) 3.016 5.839 ( 1.921 1.945 -1.673) 3.205 5.934 ( 1.479 1.929 0.645) 2.515 5.956 ( -1.198 0.935 2.301) 2.757 6.045 ( 0.370 -2.588 0.819) 2.740 6.087 ( 1.988 -0.502 -2.011) 2.872 6.142 ( 1.288 -2.347 -1.884) 3.274 6.167 ( -0.676 -1.619 -0.778) 1.919 6.217 ( 0.660 -2.008 1.328) 2.496 6.262 ( -0.122 -2.410 0.250) 2.425 6.298 ( 1.812 2.015 0.566) 2.768 6.341 ( -0.053 -1.387 -1.977) 2.416 6.373 ( -1.374 -1.073 1.689) 2.428 6.443 ( -1.415 -1.917 -1.768) 2.967 6.489 ( 1.147 -1.260 1.505) 2.274 6.520 ( -3.414 -2.989 3.821) 5.933 6.608 ( 0.471 0.829 -0.363) 1.020 6.656 ( -1.113 -2.044 4.353) 4.936 6.667 ( 0.851 0.820 0.856) 1.459 6.689 ( 3.081 -1.743 -1.671) 3.915 6.785 ( 0.403 -1.024 1.072) 1.536 6.854 ( -1.834 2.132 -0.636) 2.883 6.890 ( -0.109 -0.719 -0.464) 0.862 6.918 ( 0.180 1.180 -0.633) 1.351 6.938 ( -0.124 1.223 0.169) 1.240 6.954 ( -0.030 -0.560 -2.737) 2.794 6.975 ( -0.756 0.555 -2.128) 2.326 7.019 ( -0.351 2.554 -1.276) 2.877 7.082 ( 1.572 1.111 0.979) 2.159 7.158 ( -3.670 0.245 0.656) 3.736 7.222 ( 1.519 -0.325 0.552) 1.649 7.236 ( 0.602 1.258 3.238) 3.526 7.257 ( 1.116 -1.161 -0.221) 1.626 7.278 ( -0.029 -0.896 -1.031) 1.366 7.323 ( -0.020 -0.972 -0.232) 1.000 7.367 ( 1.260 -1.123 -0.262) 1.708 7.396 ( 0.904 0.498 -0.743) 1.272 7.453 ( 0.041 0.186 -0.567) 0.599 7.497 ( -0.307 -0.777 -0.278) 0.881 7.521 ( 0.282 -0.891 -0.142) 0.945 7.536 ( -2.477 -0.871 3.886) 4.690 7.605 ( 1.293 -3.520 -1.767) 4.145 7.655 ( 0.137 3.701 0.599) 3.751 7.720 ( 0.162 1.101 -2.728) 2.947 7.801 ( -3.022 -1.782 0.812) 3.602 7.807 ( 0.261 -0.298 0.403) 0.565 7.826 ( 0.696 1.535 -1.910) 2.547 7.883 ( 0.329 1.026 -1.460) 1.814 7.922 ( -0.111 -0.431 2.519) 2.558 7.983 ( -0.716 -0.223 0.084) 0.755 8.009 ( 0.457 -3.586 1.330) 3.852 8.074 ( -1.667 -1.403 0.569) 2.252 8.100 ( 1.006 -0.058 0.095) 1.012 8.123 ( -0.301 -1.179 -1.524) 1.951 8.196 ( 1.625 2.596 0.419) 3.092 8.216 ( -0.193 0.983 -2.384) 2.586 8.255 ( -1.543 2.701 0.874) 3.231 8.286 ( -0.682 3.934 -1.031) 4.123 8.369 ( -0.876 0.278 3.672) 3.785 8.443 ( -0.290 -0.391 -1.819) 1.883 8.507 ( 1.393 -1.069 0.568) 1.845 8.545 ( 0.165 -0.210 0.348) 0.439 8.650 ( -1.417 -5.215 1.124) 5.519 8.709 ( -0.296 -3.578 -2.297) 4.262 8.761 ( -0.358 0.283 0.876) 0.988 8.804 ( -0.568 -0.664 -0.113) 0.881 9.090 ( 1.388 1.708 -0.352) 2.229 9.121 ( -0.661 2.816 -0.238) 2.902 9.187 ( -0.229 -0.212 2.902) 2.919 9.233 ( 2.705 0.582 -1.314) 3.063 9.311 ( 0.232 0.509 -0.003) 0.560 9.324 ( 0.553 0.602 -0.617) 1.024 11.462 ( -0.426 0.131 0.060) 0.450 11.477 ( -1.256 -0.212 -0.031) 1.274 11.596 ( 0.648 -0.539 0.149) 0.856 11.608 ( 0.453 -0.709 -0.587) 1.026 11.695 ( 0.041 1.219 0.505) 1.320 11.706 ( 0.532 1.528 -0.477) 1.687 11.759 ( 0.668 -0.534 0.454) 0.968 11.772 ( 0.691 -0.080 -0.166) 0.715 12.090 ( 0.127 0.157 0.049) 0.208 12.096 ( 0.065 -0.101 -0.014) 0.121 12.107 ( -0.052 0.324 0.506) 0.602 12.124 ( 0.200 -0.155 -0.539) 0.595 14.546 ( 2.184 1.412 -0.260) 2.614 14.604 ( 0.437 3.290 -0.317) 3.334 14.626 ( 0.650 -0.822 0.704) 1.263 14.720 ( -1.620 1.508 -0.873) 2.379 14.799 ( -0.013 -0.089 1.807) 1.809 14.827 ( 0.231 -0.059 -1.006) 1.034 14.858 ( 1.415 -1.594 1.157) 2.425 14.899 ( 0.028 -1.764 1.379) 2.239 15.110 ( -0.002 0.668 -1.003) 1.205 15.126 ( -0.382 1.237 -1.807) 2.224 15.176 ( 0.458 -0.674 0.392) 0.904 15.202 ( -0.858 -0.337 1.431) 1.702 15.401 ( 0.905 0.987 -1.982) 2.392 15.471 ( -2.173 0.086 -2.319) 3.179 15.533 ( 0.122 -2.032 0.618) 2.127 15.547 ( -0.866 -1.343 0.405) 1.648 15.971 ( -0.813 2.056 1.674) 2.773 16.004 ( 0.925 1.806 -1.901) 2.781 16.134 ( 0.961 -2.021 0.887) 2.407 16.179 ( -0.528 -3.965 -0.664) 4.055 16.387 ( 0.061 0.892 0.909) 1.275 16.418 ( 1.016 0.121 -1.165) 1.550 16.510 ( -0.461 -1.435 1.655) 2.239 16.532 ( -0.178 -1.736 0.297) 1.770 16.556 ( -1.126 -0.844 0.143) 1.415 16.576 ( -0.057 -2.074 -0.445) 2.122 16.713 ( 2.046 2.301 -0.167) 3.084 16.767 ( -2.173 3.621 -0.382) 4.241 16.844 ( 0.466 0.935 -0.085) 1.048 16.891 ( -1.381 3.654 -1.050) 4.045 17.085 ( -0.072 -3.405 2.240) 4.077 17.137 ( 0.169 -2.620 -1.160) 2.870 17.946 ( 0.565 -0.149 0.359) 0.686 17.960 ( -0.806 -0.149 0.012) 0.820 18.055 ( 0.531 1.270 0.656) 1.525 18.082 ( 0.598 -0.041 -0.680) 0.906 ======================= Grid point 33 (18/24) ======================= q-point: (-0.40 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.719 ( -16.290 2.748 -4.309) 17.073 0.860 ( -14.202 1.482 8.502) 16.618 0.970 ( 10.638 -1.313 2.821) 11.084 1.122 ( -3.906 3.965 0.327) 5.576 1.190 ( -2.406 1.922 -6.250) 6.968 1.257 ( 7.371 4.933 2.234) 9.146 1.325 ( 10.939 -8.532 0.938) 13.905 1.367 ( -1.550 -1.742 -4.492) 5.061 1.430 ( 2.966 -2.678 0.477) 4.024 1.465 ( 4.943 -0.809 -4.813) 6.947 1.583 ( -4.543 5.907 7.815) 10.798 1.629 ( -1.926 0.225 2.340) 3.039 1.675 ( -2.912 3.799 -2.082) 5.220 1.719 ( -1.673 -1.995 5.816) 6.372 1.759 ( 3.203 -2.742 2.761) 5.040 1.804 ( 3.316 -0.674 -4.230) 5.417 1.835 ( 0.801 -1.256 -2.898) 3.259 1.900 ( 1.683 -2.692 -1.781) 3.641 2.000 ( 4.255 -4.208 -2.361) 6.433 2.015 ( 2.597 -4.370 -1.286) 5.243 2.114 ( -0.329 -1.487 -1.950) 2.474 2.121 ( 1.552 -4.370 -0.576) 4.673 2.158 ( 0.288 0.837 1.195) 1.487 2.214 ( -2.907 0.348 1.137) 3.141 2.244 ( -1.279 3.248 2.353) 4.210 2.300 ( 1.328 -0.944 -1.461) 2.188 2.335 ( 0.097 3.539 0.181) 3.545 2.364 ( 0.467 1.750 -0.285) 1.834 2.408 ( 0.582 1.450 -1.794) 2.379 2.425 ( -0.289 1.902 1.988) 2.767 2.466 ( -2.058 1.276 3.932) 4.618 2.493 ( 2.622 0.149 1.396) 2.974 2.525 ( 0.520 2.194 1.984) 3.003 2.554 ( -0.239 1.153 -0.192) 1.193 2.602 ( 1.761 2.792 -1.053) 3.465 2.627 ( 1.338 2.617 -2.097) 3.610 2.654 ( -0.007 0.206 -2.001) 2.012 2.720 ( -1.189 1.889 -2.182) 3.121 2.760 ( -2.689 -1.349 -1.171) 3.228 2.778 ( -0.960 0.022 -0.736) 1.210 2.832 ( 0.546 -0.669 -0.490) 0.993 2.835 ( 1.817 1.954 -1.139) 2.902 2.892 ( 2.289 2.223 1.701) 3.616 2.913 ( 0.087 0.917 -2.265) 2.445 2.986 ( -4.210 0.476 4.488) 6.172 3.028 ( -3.114 -1.968 1.604) 4.018 3.050 ( -1.219 -1.297 0.727) 1.923 3.110 ( -1.602 0.938 -2.245) 2.913 3.262 ( 2.124 0.855 -0.573) 2.360 3.286 ( 4.612 1.212 -0.892) 4.851 3.430 ( -1.041 1.317 4.163) 4.488 3.502 ( 0.090 -0.634 -2.851) 2.922 3.673 ( -2.326 -0.555 -2.523) 3.477 3.697 ( 1.716 -0.952 0.639) 2.064 3.836 ( -1.303 1.100 0.149) 1.712 3.846 ( -2.214 -0.320 -1.903) 2.937 3.871 ( 1.861 -1.135 0.998) 2.397 3.885 ( 3.153 -0.979 0.819) 3.402 3.968 ( -1.471 -1.665 1.616) 2.748 3.987 ( 1.140 -2.561 -0.458) 2.840 3.998 ( -0.797 -1.950 0.486) 2.162 4.020 ( -0.286 -3.687 -2.629) 4.538 4.025 ( 1.245 -3.861 -0.441) 4.081 4.059 ( 1.936 -3.300 0.404) 3.848 4.113 ( -1.493 0.363 1.298) 2.012 4.180 ( -0.483 -2.263 4.625) 5.171 4.188 ( 4.785 0.565 0.272) 4.826 4.221 ( -0.076 2.863 -2.502) 3.803 4.302 ( 0.205 2.544 -0.290) 2.569 4.336 ( 1.231 -0.617 -0.388) 1.431 4.397 ( -1.065 1.779 0.933) 2.274 4.424 ( 0.725 0.941 1.564) 1.964 4.437 ( -1.142 -0.397 1.132) 1.657 4.467 ( 0.216 -0.139 -2.652) 2.664 4.511 ( 0.406 -0.008 1.603) 1.653 4.553 ( 0.504 0.828 1.416) 1.716 4.581 ( 1.606 0.859 -0.146) 1.828 4.590 ( -1.467 1.934 -0.106) 2.430 4.618 ( 0.447 2.604 -0.328) 2.663 4.689 ( -1.755 0.270 0.790) 1.944 4.700 ( 1.505 -0.621 -2.977) 3.393 4.753 ( -0.399 0.380 -1.304) 1.416 4.807 ( -2.192 -0.610 -0.337) 2.300 4.836 ( -1.428 -2.702 2.748) 4.110 4.858 ( 0.819 -0.057 -0.259) 0.861 4.897 ( -0.465 -3.836 0.462) 3.891 4.915 ( 1.018 -1.151 0.118) 1.541 4.931 ( 2.832 -1.925 -1.204) 3.630 4.987 ( 0.857 3.885 0.132) 3.981 5.020 ( 1.295 2.423 -2.107) 3.463 5.061 ( -1.353 1.948 3.108) 3.910 5.111 ( -0.529 3.511 -1.135) 3.728 5.126 ( 0.323 1.154 1.283) 1.755 5.135 ( 1.227 0.762 -0.003) 1.445 5.186 ( -4.197 -0.216 1.087) 4.341 5.223 ( -0.566 0.636 3.103) 3.218 5.252 ( -0.040 -1.952 -0.476) 2.009 5.298 ( -2.787 -1.050 -1.087) 3.170 5.311 ( 4.509 0.061 0.375) 4.525 5.353 ( 2.105 0.189 -0.653) 2.212 5.388 ( -1.457 -0.001 -0.714) 1.623 5.407 ( 0.832 1.036 0.128) 1.335 5.517 ( -0.900 1.825 -0.584) 2.117 5.542 ( 1.089 -0.497 -0.527) 1.308 5.652 ( -0.262 0.511 2.222) 2.295 5.692 ( -2.097 -0.709 -2.083) 3.039 5.720 ( -0.846 3.049 -1.555) 3.526 5.772 ( 1.494 0.938 -1.711) 2.458 5.816 ( -1.291 2.470 0.832) 2.909 5.859 ( 0.251 2.119 -1.575) 2.652 5.915 ( -1.961 1.820 1.647) 3.142 5.999 ( 2.273 0.670 -0.651) 2.457 6.027 ( -2.530 -2.478 0.418) 3.566 6.104 ( -0.212 -2.313 -1.151) 2.592 6.132 ( -0.718 -1.857 -1.727) 2.635 6.150 ( 0.280 -0.573 0.403) 0.755 6.223 ( -0.720 -1.244 1.792) 2.296 6.263 ( 1.585 -1.676 -0.547) 2.370 6.306 ( -2.223 -0.326 -0.785) 2.380 6.321 ( -0.369 -0.097 0.193) 0.428 6.401 ( 0.462 -0.252 0.818) 0.973 6.419 ( 1.215 -0.109 -0.948) 1.545 6.494 ( -0.938 -4.175 1.575) 4.560 6.534 ( 1.028 -1.974 1.888) 2.919 6.629 ( 0.688 1.315 1.418) 2.052 6.636 ( -1.915 -1.236 -0.005) 2.279 6.665 ( -0.377 0.375 0.791) 0.954 6.736 ( 1.918 -4.079 -1.363) 4.709 6.781 ( -2.636 0.812 1.621) 3.199 6.859 ( 2.915 0.917 -0.870) 3.177 6.882 ( -0.675 -0.018 1.828) 1.949 6.902 ( -1.278 0.716 -1.191) 1.888 6.923 ( -0.251 1.171 -1.477) 1.901 6.941 ( 1.079 0.484 -0.986) 1.540 6.983 ( 0.286 2.415 -1.118) 2.677 6.999 ( 1.934 1.897 -0.718) 2.803 7.096 ( -2.073 0.113 -0.140) 2.080 7.144 ( 2.650 0.973 1.851) 3.375 7.230 ( -1.941 -1.459 0.301) 2.447 7.246 ( -0.924 -1.333 0.265) 1.643 7.277 ( 0.736 -0.632 -1.345) 1.658 7.283 ( 0.938 -1.216 0.329) 1.571 7.332 ( -0.135 -0.798 2.172) 2.318 7.351 ( -1.389 -0.316 -1.587) 2.133 7.392 ( -1.583 0.226 0.951) 1.860 7.442 ( 0.328 1.856 -3.975) 4.399 7.486 ( -0.146 0.388 2.606) 2.639 7.519 ( -0.213 -1.432 -0.414) 1.506 7.539 ( -1.367 -1.374 4.236) 4.658 7.612 ( 1.090 -2.710 -2.853) 4.083 7.666 ( 0.158 3.065 1.368) 3.360 7.708 ( 0.736 1.616 -3.610) 4.023 7.737 ( -2.388 -1.346 3.232) 4.238 7.828 ( 1.277 0.235 -0.991) 1.633 7.848 ( 0.608 0.351 0.292) 0.760 7.882 ( 2.806 1.209 -3.293) 4.492 7.953 ( 1.139 -1.244 2.032) 2.641 7.972 ( 0.313 -1.146 -0.345) 1.237 8.038 ( -1.143 -1.103 0.162) 1.596 8.056 ( 1.056 -3.293 1.717) 3.861 8.104 ( -0.669 -0.949 -0.628) 1.320 8.122 ( 0.924 -0.323 -1.214) 1.559 8.176 ( -1.715 2.454 0.707) 3.076 8.214 ( 0.263 2.171 -1.643) 2.735 8.262 ( 1.106 3.457 0.622) 3.682 8.291 ( 2.024 2.907 -1.312) 3.778 8.374 ( -1.455 -0.385 3.762) 4.052 8.431 ( 0.415 0.461 -1.500) 1.623 8.520 ( -1.120 -1.597 -0.193) 1.960 8.546 ( 0.779 -0.843 0.042) 1.149 8.652 ( 0.305 -3.856 2.057) 4.381 8.695 ( 1.337 -2.743 -2.461) 3.920 8.781 ( 0.661 -2.112 1.659) 2.766 8.787 ( -0.480 -0.375 -1.014) 1.183 9.081 ( -2.428 1.658 0.201) 2.947 9.117 ( 0.669 1.446 0.289) 1.619 9.198 ( -1.077 1.648 1.553) 2.507 9.258 ( 1.388 0.419 -2.636) 3.008 9.301 ( -1.566 0.544 1.287) 2.099 9.314 ( -1.095 0.405 -0.420) 1.241 11.465 ( 0.350 0.043 -0.209) 0.410 11.472 ( 1.117 -0.094 0.335) 1.170 11.598 ( -0.586 -0.586 0.178) 0.848 11.606 ( -0.216 -0.785 -0.594) 1.008 11.694 ( -0.520 1.396 0.499) 1.571 11.706 ( -0.129 1.448 -0.442) 1.519 11.764 ( -0.545 -0.430 0.503) 0.857 11.769 ( -0.774 -0.192 -0.360) 0.875 12.093 ( -0.035 0.107 0.132) 0.174 12.094 ( -0.116 0.036 -0.197) 0.232 12.109 ( -0.205 0.165 0.715) 0.761 12.121 ( -0.019 -0.074 -0.627) 0.631 14.549 ( -2.809 1.635 -0.473) 3.285 14.584 ( 0.789 2.024 0.772) 2.306 14.657 ( -2.140 -0.219 -0.970) 2.360 14.704 ( 2.775 1.462 0.274) 3.149 14.805 ( -0.030 -0.094 0.902) 0.908 14.827 ( 0.420 0.441 -0.755) 0.970 14.882 ( -1.607 -2.278 -0.098) 2.790 14.899 ( 0.675 -1.358 1.603) 2.207 15.099 ( -0.615 0.832 -0.453) 1.129 15.111 ( 0.364 1.378 -0.749) 1.610 15.179 ( -1.213 -1.023 0.393) 1.635 15.209 ( 1.493 -0.999 0.531) 1.873 15.403 ( -2.320 1.102 -2.894) 3.870 15.437 ( 2.515 0.858 0.598) 2.724 15.538 ( -0.262 -1.736 0.149) 1.762 15.547 ( 0.742 -1.338 0.370) 1.574 15.966 ( -0.847 1.902 1.500) 2.566 16.010 ( 0.999 2.008 -1.733) 2.834 16.152 ( -0.688 -3.312 0.281) 3.394 16.160 ( -0.217 -2.563 -0.004) 2.572 16.393 ( -0.466 0.772 0.795) 1.202 16.421 ( 0.475 0.485 -1.581) 1.721 16.514 ( -0.974 -1.945 0.646) 2.269 16.524 ( -0.061 -1.876 1.706) 2.536 16.550 ( 0.075 -1.229 0.538) 1.344 16.581 ( 1.174 -1.270 -0.906) 1.952 16.714 ( -2.117 2.888 -0.239) 3.589 16.762 ( 1.935 2.540 -0.136) 3.196 16.853 ( -0.323 3.022 -0.481) 3.077 16.874 ( 1.453 1.594 -0.089) 2.159 17.104 ( 0.294 -2.289 1.804) 2.929 17.138 ( 1.029 -3.696 -1.918) 4.289 17.940 ( -0.787 0.352 0.486) 0.990 17.970 ( 1.358 -0.509 -0.359) 1.494 18.062 ( -0.553 0.618 0.630) 1.041 18.082 ( 0.192 0.196 -1.078) 1.113 ======================= Grid point 34 (19/24) ======================= q-point: (-0.20 0.20 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.455 ( -6.524 12.293 7.849) 15.978 0.638 ( -12.195 9.032 11.187) 18.853 1.008 ( -2.739 5.559 -6.400) 8.909 1.036 ( -5.647 6.588 4.648) 9.844 1.201 ( -5.933 6.122 -1.742) 8.701 1.292 ( 7.537 -6.271 -1.635) 9.940 1.390 ( 1.476 -4.320 -0.382) 4.582 1.426 ( -3.657 0.891 2.697) 4.631 1.461 ( 0.533 -1.704 -3.675) 4.086 1.526 ( 1.147 -0.696 -0.958) 1.649 1.600 ( 9.478 -6.679 0.196) 11.597 1.624 ( 1.190 0.600 1.017) 1.677 1.670 ( 0.341 0.817 1.602) 1.830 1.719 ( -0.813 -1.517 1.530) 2.303 1.821 ( 1.346 0.600 -2.241) 2.682 1.878 ( 4.777 -0.523 -1.729) 5.107 1.918 ( 5.727 -0.489 -0.876) 5.815 1.980 ( 3.763 0.871 5.023) 6.337 2.003 ( -0.571 0.388 -3.107) 3.183 2.099 ( 4.898 -1.742 -3.232) 6.121 2.115 ( 1.357 -3.482 -1.686) 4.100 2.156 ( 3.466 -4.580 0.349) 5.754 2.174 ( -0.025 2.166 3.744) 4.325 2.218 ( 2.621 0.012 -1.226) 2.894 2.257 ( 0.205 1.244 3.069) 3.318 2.324 ( 0.442 2.093 -2.701) 3.445 2.334 ( 0.816 -2.060 -0.652) 2.310 2.370 ( -0.675 0.498 0.412) 0.935 2.392 ( 1.527 -0.595 -3.280) 3.667 2.421 ( -1.286 -0.328 1.533) 2.028 2.475 ( -1.923 0.330 1.795) 2.651 2.493 ( 1.429 0.130 1.756) 2.268 2.547 ( 0.236 2.848 0.952) 3.012 2.560 ( -4.012 -1.153 0.381) 4.192 2.587 ( -0.013 2.199 -4.143) 4.691 2.617 ( -1.111 -0.678 -3.664) 3.888 2.647 ( 0.879 3.447 -1.976) 4.069 2.681 ( 2.508 -2.610 -1.338) 3.859 2.733 ( -0.862 2.706 2.559) 3.823 2.747 ( 1.248 -0.717 -1.318) 1.952 2.777 ( -3.102 -0.455 -1.443) 3.452 2.856 ( -2.712 0.678 0.961) 2.956 2.893 ( -1.406 1.192 2.534) 3.133 2.939 ( 0.317 3.614 -1.576) 3.955 2.960 ( -1.502 -0.209 4.844) 5.076 2.987 ( 0.177 -1.430 0.307) 1.473 3.007 ( -1.550 -0.045 -2.850) 3.244 3.085 ( -1.589 3.082 1.590) 3.815 3.316 ( 1.793 0.878 0.973) 2.221 3.351 ( 1.406 2.244 1.003) 2.832 3.453 ( -0.336 -1.112 0.258) 1.191 3.470 ( -0.565 0.389 -0.357) 0.773 3.655 ( 2.162 0.789 0.306) 2.322 3.746 ( 2.074 -1.184 2.172) 3.228 3.802 ( -0.605 1.416 -1.034) 1.855 3.827 ( -0.483 1.134 0.222) 1.252 3.886 ( -2.474 -1.146 -0.911) 2.875 3.949 ( 1.286 0.483 0.666) 1.526 3.954 ( -0.614 -0.401 0.165) 0.752 3.976 ( 1.706 -4.038 0.342) 4.397 3.993 ( 0.518 -2.051 0.489) 2.171 4.025 ( 0.818 -3.462 -0.273) 3.568 4.070 ( 2.711 -0.728 -0.524) 2.855 4.104 ( 1.027 -0.980 -0.483) 1.500 4.134 ( 3.878 -1.472 -0.799) 4.224 4.191 ( -0.687 -0.649 2.429) 2.607 4.218 ( 0.521 -1.410 2.888) 3.255 4.278 ( 2.817 -1.339 0.023) 3.119 4.311 ( -0.848 -0.665 -0.729) 1.301 4.352 ( 0.322 -0.412 -1.568) 1.653 4.372 ( -1.239 0.744 1.178) 1.865 4.434 ( -0.346 -1.837 1.980) 2.723 4.444 ( 0.347 0.692 -0.034) 0.775 4.469 ( 0.478 0.347 1.789) 1.884 4.527 ( -0.412 -1.817 -2.410) 3.046 4.560 ( 2.218 -1.222 -1.356) 2.872 4.570 ( 1.372 1.410 3.496) 4.011 4.628 ( 0.854 -0.444 -0.433) 1.055 4.633 ( -1.009 1.681 0.851) 2.137 4.655 ( 0.163 0.770 -0.214) 0.816 4.687 ( -0.922 -0.839 -1.703) 2.111 4.728 ( 0.194 0.682 -1.282) 1.465 4.792 ( 1.742 -0.136 -0.386) 1.789 4.826 ( -2.614 -1.892 2.957) 4.377 4.867 ( 0.056 -1.566 -0.954) 1.835 4.906 ( 0.830 -0.942 -0.942) 1.570 4.919 ( 0.426 -2.610 0.005) 2.644 4.944 ( -0.968 -0.455 -1.032) 1.486 5.010 ( -0.257 1.966 1.301) 2.372 5.050 ( 0.368 0.519 -0.297) 0.702 5.077 ( -0.114 2.668 -1.069) 2.876 5.088 ( 1.469 3.770 0.047) 4.046 5.108 ( -0.128 -0.272 -0.594) 0.665 5.170 ( 1.455 0.068 -2.386) 2.795 5.175 ( 0.249 3.698 1.378) 3.954 5.211 ( -1.042 0.036 1.336) 1.695 5.234 ( -0.883 -1.306 -1.798) 2.391 5.248 ( -0.085 2.667 -0.495) 2.714 5.333 ( -1.709 2.684 0.387) 3.205 5.368 ( 0.939 3.685 -2.207) 4.397 5.392 ( 0.447 -0.943 1.566) 1.882 5.419 ( -0.253 0.522 -0.393) 0.701 5.503 ( -0.164 1.133 1.099) 1.587 5.588 ( 2.128 -2.274 0.916) 3.246 5.626 ( -1.565 -0.881 -1.023) 2.067 5.648 ( -0.866 0.361 0.205) 0.961 5.709 ( 0.155 0.541 1.035) 1.178 5.786 ( -1.889 1.403 -1.005) 2.559 5.813 ( 1.591 4.699 1.328) 5.135 5.829 ( -0.473 2.528 -0.953) 2.743 5.879 ( -2.194 2.430 0.093) 3.276 5.969 ( -2.789 -0.816 2.526) 3.850 6.016 ( -0.765 -2.979 -0.925) 3.212 6.090 ( 0.059 -3.205 0.604) 3.262 6.110 ( -0.410 -1.747 -1.525) 2.354 6.162 ( -0.017 -0.749 0.015) 0.749 6.220 ( -0.455 1.081 0.177) 1.187 6.252 ( -1.997 1.407 -1.545) 2.891 6.290 ( 2.095 1.261 -2.645) 3.602 6.326 ( 0.875 -1.854 0.534) 2.119 6.385 ( -0.727 -0.099 -0.771) 1.065 6.417 ( -1.496 -1.322 0.677) 2.108 6.524 ( 1.646 -4.130 0.806) 4.519 6.536 ( -1.963 -2.073 2.266) 3.645 6.612 ( -1.822 -0.557 2.003) 2.764 6.659 ( 0.195 -0.664 1.283) 1.458 6.679 ( 3.461 0.651 -1.929) 4.016 6.739 ( -0.122 -3.486 0.322) 3.503 6.749 ( 0.135 -1.095 -2.369) 2.613 6.869 ( -1.328 -0.448 -0.591) 1.521 6.894 ( 0.405 1.353 1.103) 1.792 6.916 ( 1.287 3.716 -0.172) 3.937 6.919 ( 1.357 -0.251 1.273) 1.877 6.965 ( 1.508 -0.273 -0.341) 1.570 6.980 ( -0.890 1.381 0.317) 1.673 7.019 ( 0.020 -0.535 -1.909) 1.983 7.088 ( 1.688 -1.131 -0.164) 2.039 7.168 ( -2.525 -1.543 -0.862) 3.082 7.204 ( 0.840 -0.279 1.912) 2.106 7.227 ( -1.002 -2.426 -0.166) 2.630 7.266 ( -1.423 -2.556 -2.479) 3.835 7.283 ( 0.027 0.156 -0.339) 0.375 7.303 ( -1.537 -1.047 1.113) 2.167 7.329 ( -1.575 -0.533 1.183) 2.040 7.363 ( -0.796 0.851 -0.969) 1.516 7.445 ( 1.190 1.766 0.868) 2.300 7.483 ( -2.527 0.768 -1.661) 3.120 7.509 ( -0.538 0.856 1.608) 1.899 7.553 ( 1.094 0.373 4.136) 4.295 7.628 ( 2.637 -1.433 -1.811) 3.505 7.694 ( 0.999 1.203 0.661) 1.698 7.714 ( 2.414 3.049 -2.477) 4.611 7.742 ( -0.661 -0.240 3.970) 4.031 7.820 ( -0.061 0.168 -3.175) 3.180 7.846 ( -0.922 0.072 1.459) 1.728 7.922 ( 1.512 -0.287 -3.303) 3.644 7.960 ( 0.654 -0.596 -3.030) 3.157 8.003 ( -1.139 -1.307 -0.565) 1.823 8.032 ( 3.667 -1.203 0.372) 3.877 8.064 ( -2.650 0.508 1.687) 3.182 8.091 ( 0.034 -1.799 0.316) 1.827 8.134 ( 0.971 0.150 -0.469) 1.089 8.156 ( 0.074 2.004 -0.147) 2.011 8.228 ( 2.229 2.382 0.764) 3.351 8.276 ( 0.021 3.198 -0.485) 3.234 8.331 ( 0.386 -0.519 -0.107) 0.656 8.372 ( -0.480 0.011 2.619) 2.662 8.439 ( 0.914 2.085 0.513) 2.334 8.509 ( 0.759 -1.483 -1.552) 2.276 8.541 ( -0.604 -0.040 -0.711) 0.934 8.678 ( 0.032 -4.070 0.761) 4.141 8.727 ( 2.660 -2.620 -1.198) 3.921 8.777 ( 0.879 1.000 0.206) 1.348 8.819 ( 1.100 -4.650 2.124) 5.230 9.027 ( -2.730 1.793 1.161) 3.466 9.117 ( -2.099 -0.288 1.362) 2.519 9.159 ( -1.368 2.799 -2.421) 3.946 9.258 ( -3.511 0.078 1.092) 3.678 9.265 ( 1.385 -0.198 -2.078) 2.505 9.291 ( -1.306 0.201 1.265) 1.829 11.485 ( 1.660 0.222 -0.173) 1.684 11.508 ( 1.690 -0.412 0.581) 1.834 11.579 ( -1.186 -0.384 0.240) 1.270 11.589 ( -0.950 -0.399 -0.636) 1.211 11.685 ( -0.568 1.141 0.279) 1.305 11.700 ( -0.041 0.941 -0.176) 0.958 11.739 ( -1.581 -0.113 -0.314) 1.616 11.748 ( -1.137 -0.252 0.124) 1.171 12.089 ( -0.143 0.103 -0.105) 0.205 12.093 ( -0.100 0.047 0.035) 0.116 12.109 ( -0.355 0.136 0.590) 0.702 12.116 ( 0.019 0.048 -0.491) 0.493 14.497 ( -1.700 1.847 -0.012) 2.510 14.572 ( -2.101 2.550 -1.471) 3.617 14.622 ( -0.308 -1.446 1.430) 2.056 14.757 ( 2.044 1.506 -0.197) 2.546 14.810 ( -0.172 -0.214 -0.325) 0.425 14.832 ( -2.189 -2.712 -1.559) 3.818 14.834 ( 0.655 0.908 -0.570) 1.256 14.902 ( -1.358 -1.333 -1.015) 2.157 15.094 ( -0.026 0.455 1.137) 1.225 15.118 ( 0.385 1.668 0.501) 1.784 15.167 ( -0.038 -0.776 0.980) 1.251 15.233 ( 0.062 -1.470 -0.923) 1.736 15.357 ( 0.086 1.858 2.882) 3.430 15.494 ( 2.036 0.150 1.270) 2.405 15.538 ( 0.105 -2.586 0.094) 2.590 15.564 ( 0.543 -1.287 0.213) 1.413 15.962 ( -0.677 1.934 1.557) 2.573 16.020 ( 1.545 2.596 -2.057) 3.655 16.115 ( -1.897 -2.465 -0.862) 3.228 16.156 ( -1.286 -1.868 0.914) 2.445 16.381 ( -0.725 0.048 0.219) 0.759 16.416 ( 0.363 0.261 -1.766) 1.822 16.510 ( 0.044 -0.576 1.059) 1.206 16.544 ( 0.037 -3.870 2.074) 4.390 16.562 ( 0.606 -1.069 1.390) 1.856 16.598 ( 0.689 -1.013 -0.492) 1.320 16.688 ( 0.199 0.883 -0.567) 1.068 16.760 ( -1.779 -0.241 -0.082) 1.797 16.878 ( 2.868 4.467 -0.920) 5.388 16.923 ( 3.174 4.375 0.974) 5.492 17.113 ( -0.421 -1.891 -1.451) 2.420 17.128 ( -0.918 -3.166 -1.759) 3.737 17.936 ( 0.281 1.319 0.155) 1.357 17.993 ( 1.182 0.134 -1.314) 1.773 18.045 ( -1.070 0.307 -0.338) 1.164 18.063 ( -1.476 0.751 -1.169) 2.027 ======================= Grid point 35 (20/24) ======================= q-point: ( 0.00 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.811 ( 1.738 13.699 8.222) 16.071 0.933 ( 1.989 16.116 3.646) 16.643 0.998 ( -2.529 3.089 -5.839) 7.074 1.120 ( 0.620 1.782 -7.669) 7.898 1.128 ( 0.317 -1.881 2.863) 3.440 1.249 ( -1.511 -4.940 -6.017) 7.931 1.288 ( 2.063 -8.778 1.293) 9.109 1.352 ( -1.871 -1.919 -3.857) 4.697 1.424 ( 4.794 4.417 2.096) 6.847 1.510 ( -3.067 -4.405 -2.701) 6.009 1.527 ( 0.562 -2.516 1.563) 3.015 1.577 ( -3.058 -5.711 -2.440) 6.922 1.725 ( -1.966 5.151 4.927) 7.394 1.829 ( 0.821 -2.080 0.524) 2.297 1.850 ( 0.190 3.533 8.779) 9.465 1.920 ( 0.082 2.593 2.975) 3.947 1.961 ( -1.186 -1.064 0.306) 1.622 2.012 ( 0.262 0.675 -3.332) 3.410 2.059 ( -0.234 0.159 -0.954) 0.996 2.095 ( 1.299 0.417 -2.576) 2.915 2.123 ( -1.957 -4.026 1.964) 4.888 2.178 ( 1.897 -0.054 0.914) 2.107 2.210 ( -1.805 0.046 1.800) 2.550 2.255 ( -0.844 -1.145 0.774) 1.619 2.299 ( -2.512 1.364 -0.219) 2.867 2.315 ( 4.024 1.469 -2.516) 4.968 2.341 ( -1.137 -0.828 2.238) 2.643 2.342 ( 2.595 -0.117 -1.996) 3.276 2.372 ( 1.017 2.229 1.329) 2.787 2.416 ( -0.057 -0.588 -2.022) 2.107 2.434 ( 0.933 -0.774 -3.669) 3.864 2.446 ( 2.335 -0.427 -2.246) 3.268 2.493 ( -0.822 -1.763 -0.511) 2.011 2.527 ( -1.030 -3.858 -3.351) 5.213 2.576 ( -1.698 0.375 1.318) 2.182 2.602 ( -0.502 -2.345 -0.029) 2.398 2.668 ( 2.994 2.296 4.707) 6.033 2.693 ( 2.656 -0.656 1.966) 3.369 2.728 ( -2.873 0.986 -0.583) 3.092 2.758 ( -0.344 -2.086 0.495) 2.171 2.807 ( 0.706 3.685 -0.832) 3.843 2.850 ( 0.353 -0.903 0.900) 1.323 2.883 ( -2.796 2.715 -4.745) 6.140 2.922 ( -1.884 -0.662 -3.364) 3.912 2.964 ( 1.175 1.075 3.928) 4.239 3.000 ( 1.198 -1.983 1.306) 2.659 3.061 ( -0.269 2.799 -0.032) 2.812 3.082 ( -0.253 0.765 -1.272) 1.506 3.372 ( 0.079 2.474 2.598) 3.588 3.402 ( -1.153 0.265 0.288) 1.217 3.450 ( 1.151 0.601 0.570) 1.418 3.472 ( 0.199 -0.732 -0.859) 1.146 3.740 ( 1.816 0.273 2.609) 3.191 3.765 ( 0.773 -2.077 2.754) 3.535 3.807 ( -1.221 0.995 -1.993) 2.540 3.822 ( -0.171 -0.010 -0.824) 0.842 3.873 ( 1.623 1.948 -1.190) 2.801 3.902 ( 0.239 -1.299 -2.637) 2.949 3.937 ( -0.967 0.604 1.259) 1.699 3.959 ( 0.596 -0.726 -0.585) 1.107 4.025 ( -0.214 1.211 0.910) 1.530 4.033 ( -1.055 0.585 2.918) 3.158 4.078 ( -1.464 -2.605 2.523) 3.911 4.102 ( 0.654 -3.378 3.725) 5.071 4.129 ( -2.625 -1.281 0.252) 2.932 4.140 ( -0.714 -1.855 0.613) 2.080 4.213 ( -0.486 0.440 -0.079) 0.660 4.250 ( -0.408 -2.871 -0.484) 2.940 4.276 ( 1.111 0.566 -3.436) 3.655 4.302 ( 0.836 -2.008 -4.371) 4.882 4.376 ( 1.766 0.220 1.108) 2.096 4.395 ( 0.498 -1.472 -0.457) 1.620 4.441 ( -0.891 1.601 1.565) 2.409 4.462 ( -0.367 -0.469 1.211) 1.349 4.491 ( -0.658 -0.747 0.657) 1.193 4.517 ( -1.141 -3.531 -0.858) 3.808 4.573 ( 0.057 0.802 -1.262) 1.496 4.593 ( 0.737 -0.940 -2.627) 2.886 4.693 ( 0.637 1.165 1.411) 1.938 4.696 ( 1.074 1.116 -0.883) 1.783 4.710 ( -1.822 0.448 0.090) 1.879 4.738 ( -1.030 -1.725 2.626) 3.306 4.752 ( 1.850 1.687 -0.424) 2.540 4.806 ( 1.407 -3.011 -2.140) 3.953 4.858 ( 0.438 1.109 0.499) 1.293 4.886 ( 0.520 -1.754 0.872) 2.027 4.900 ( -0.466 0.836 -2.346) 2.533 4.923 ( -0.984 -1.334 -2.085) 2.664 5.032 ( 0.199 1.696 0.418) 1.758 5.045 ( -1.446 0.315 -0.444) 1.545 5.093 ( -0.743 0.948 -0.101) 1.209 5.102 ( -0.054 -0.112 0.046) 0.133 5.130 ( 1.642 -0.172 -2.243) 2.785 5.136 ( -0.485 -0.398 -1.661) 1.775 5.224 ( -1.670 3.046 1.935) 3.976 5.258 ( -0.483 1.562 0.597) 1.740 5.262 ( 0.693 1.093 0.489) 1.384 5.291 ( 0.287 -0.079 -0.966) 1.011 5.390 ( 1.270 1.475 2.170) 2.915 5.402 ( 0.165 -0.040 1.103) 1.116 5.462 ( -1.259 4.573 0.680) 4.792 5.473 ( 0.161 4.543 -0.311) 4.557 5.534 ( 1.485 1.823 0.380) 2.382 5.567 ( -3.148 1.935 -2.502) 4.463 5.617 ( 0.896 -1.688 2.413) 3.078 5.657 ( 2.613 -3.022 1.583) 4.297 5.711 ( -2.334 2.263 0.941) 3.385 5.778 ( 2.593 2.837 -0.278) 3.853 5.821 ( -1.645 -5.665 0.714) 5.942 5.862 ( 2.502 -3.642 0.323) 4.430 5.913 ( 0.201 2.441 -0.711) 2.550 5.927 ( -0.870 -0.003 -1.433) 1.676 5.988 ( -0.654 2.358 3.526) 4.292 6.036 ( -0.101 -2.434 0.916) 2.602 6.092 ( 0.768 0.771 -1.658) 1.984 6.118 ( 0.469 -1.699 -2.122) 2.758 6.257 ( -1.410 2.503 -0.136) 2.876 6.265 ( 0.463 1.676 -0.855) 1.937 6.308 ( -1.616 1.198 1.083) 2.285 6.340 ( 0.083 -1.958 -1.317) 2.362 6.357 ( 0.277 -0.429 -0.036) 0.512 6.385 ( 0.059 -1.560 -0.216) 1.576 6.437 ( 0.391 -0.534 -0.421) 0.784 6.487 ( 2.312 -4.037 -2.744) 5.402 6.614 ( -2.249 2.048 3.090) 4.336 6.653 ( -1.789 -1.453 0.741) 2.421 6.685 ( 0.202 1.950 0.873) 2.146 6.722 ( -0.996 0.232 -0.772) 1.281 6.760 ( -0.141 -3.640 -0.865) 3.744 6.763 ( 1.819 -2.802 -0.360) 3.360 6.933 ( -0.694 1.018 0.231) 1.254 6.937 ( 0.185 1.013 0.204) 1.050 6.956 ( 0.705 -0.385 -1.408) 1.621 6.968 ( -0.502 -0.488 -0.668) 0.967 6.979 ( 0.036 0.074 -0.650) 0.655 6.988 ( 0.706 0.126 -0.661) 0.975 7.098 ( 1.156 -0.948 0.797) 1.694 7.112 ( -1.252 -2.148 0.890) 2.640 7.138 ( -0.229 1.108 -0.257) 1.160 7.169 ( -0.095 -1.463 -1.872) 2.378 7.259 ( 0.773 0.205 4.236) 4.311 7.281 ( 0.990 -1.328 2.495) 2.994 7.308 ( -0.010 0.307 0.077) 0.317 7.315 ( 0.608 -0.684 1.714) 1.943 7.356 ( -0.523 1.438 -4.208) 4.478 7.392 ( -0.965 -1.923 -4.552) 5.035 7.502 ( 0.571 0.582 0.716) 1.086 7.508 ( 0.423 0.095 0.288) 0.520 7.652 ( -0.534 1.138 1.857) 2.243 7.661 ( -1.684 -0.213 1.504) 2.268 7.723 ( 0.060 1.498 0.096) 1.502 7.744 ( 0.601 -0.256 -3.160) 3.227 7.768 ( -1.016 0.803 3.298) 3.544 7.791 ( 0.572 -1.342 3.718) 3.994 7.872 ( 1.765 2.566 -5.090) 5.967 7.899 ( -0.267 0.563 -4.854) 4.894 7.953 ( -0.935 -0.251 0.035) 0.968 7.963 ( 2.109 -1.414 -1.309) 2.857 8.052 ( -1.515 0.828 1.935) 2.593 8.074 ( 0.024 -1.484 0.442) 1.548 8.116 ( 1.329 1.946 -1.006) 2.562 8.135 ( 0.957 0.181 -2.173) 2.382 8.225 ( -0.157 1.403 2.213) 2.625 8.241 ( -0.808 -0.359 0.839) 1.219 8.299 ( -2.631 -0.387 5.309) 5.938 8.313 ( -2.404 -0.747 2.426) 3.496 8.377 ( 2.394 1.758 -1.903) 3.527 8.420 ( 0.657 -2.727 -3.913) 4.814 8.524 ( -0.688 2.263 1.266) 2.682 8.549 ( 0.912 -0.215 -1.014) 1.381 8.671 ( -0.449 -0.337 0.187) 0.592 8.684 ( 0.259 -1.503 -0.922) 1.782 8.808 ( -0.554 0.463 1.184) 1.387 8.816 ( 0.808 -0.311 0.348) 0.933 9.055 ( 0.690 1.885 2.577) 3.267 9.084 ( 0.371 -1.104 0.998) 1.533 9.165 ( -0.327 0.667 -0.960) 1.214 9.180 ( -1.690 -0.705 -1.367) 2.285 9.274 ( -0.095 0.233 0.114) 0.277 9.278 ( 0.970 -0.299 -0.224) 1.039 11.517 ( -0.429 0.160 0.426) 0.625 11.523 ( 0.298 -0.357 0.017) 0.465 11.559 ( -0.330 0.381 0.207) 0.545 11.568 ( 0.632 -0.567 -0.519) 0.995 11.701 ( 0.063 1.010 0.414) 1.093 11.711 ( -0.336 0.708 -0.429) 0.893 11.717 ( 0.403 -0.454 0.245) 0.655 11.724 ( -0.237 -0.442 -0.297) 0.583 12.090 ( 0.068 0.070 0.057) 0.113 12.091 ( -0.015 -0.004 -0.012) 0.020 12.110 ( -0.151 0.270 0.141) 0.339 12.114 ( 0.098 -0.145 -0.198) 0.264 14.521 ( 0.395 1.540 0.174) 1.600 14.536 ( -0.369 0.174 -1.182) 1.251 14.670 ( 0.383 1.712 2.681) 3.204 14.713 ( -0.988 -2.651 -0.610) 2.895 14.800 ( -0.096 0.762 -1.153) 1.386 14.807 ( 0.829 0.011 -1.147) 1.416 14.848 ( -0.257 0.428 -0.447) 0.670 14.856 ( -0.683 -0.264 -1.129) 1.346 15.134 ( 0.674 1.454 2.265) 2.775 15.152 ( 0.236 0.305 0.792) 0.881 15.180 ( 0.155 0.353 0.952) 1.027 15.199 ( -0.394 -0.945 -0.734) 1.260 15.428 ( 1.183 0.193 2.176) 2.484 15.461 ( -0.855 -2.888 -0.858) 3.132 15.528 ( 0.352 -0.102 0.740) 0.826 15.539 ( -0.221 -1.183 -0.278) 1.235 16.010 ( -0.357 2.650 1.763) 3.203 16.045 ( -0.326 -0.134 -0.704) 0.788 16.086 ( 0.628 -0.323 -0.116) 0.716 16.107 ( 0.214 -1.572 -1.306) 2.055 16.380 ( 0.181 0.729 -0.302) 0.809 16.398 ( 0.378 -0.879 -1.773) 2.015 16.490 ( -0.595 -1.102 1.752) 2.153 16.498 ( -0.174 -2.064 0.765) 2.208 16.576 ( -0.625 1.032 1.680) 2.068 16.591 ( -0.484 -0.288 0.251) 0.617 16.699 ( 0.222 0.430 -0.455) 0.664 16.717 ( 0.987 -1.114 -1.702) 2.261 16.986 ( 0.084 3.262 2.258) 3.968 17.031 ( -1.442 -1.244 1.267) 2.287 17.057 ( 1.208 1.765 -2.347) 3.175 17.088 ( 0.193 -1.294 -2.045) 2.428 17.984 ( -0.153 1.297 -0.244) 1.328 17.996 ( -0.572 0.206 -1.410) 1.536 18.034 ( 0.309 0.022 0.077) 0.319 18.035 ( 0.325 -0.073 -0.005) 0.334 ======================= Grid point 36 (21/24) ======================= q-point: ( 0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.897 ( 0.431 11.178 -8.305) 13.933 0.924 ( 1.198 11.810 8.007) 14.319 1.017 ( 2.866 12.854 2.871) 13.479 1.125 ( 1.349 5.211 -0.322) 5.392 1.146 ( 2.411 -8.561 -2.231) 9.170 1.210 ( 1.482 -7.050 0.878) 7.257 1.239 ( -4.923 -4.330 -3.357) 7.366 1.289 ( -2.000 -9.732 -0.979) 9.983 1.362 ( -4.036 -2.025 -1.228) 4.680 1.419 ( -5.607 -8.113 -3.326) 10.408 1.597 ( 6.159 5.228 1.669) 8.249 1.660 ( 0.256 3.920 3.813) 5.475 1.714 ( 0.418 -3.653 2.006) 4.189 1.778 ( -3.958 -4.107 1.270) 5.844 1.853 ( -2.846 1.453 -1.546) 3.550 1.890 ( -3.651 0.973 2.328) 4.438 1.896 ( -6.104 -1.158 1.356) 6.359 1.957 ( -5.331 -3.659 3.154) 7.194 2.057 ( -1.841 5.518 -0.024) 5.817 2.080 ( 0.469 4.608 -3.003) 5.520 2.096 ( -1.567 1.049 0.142) 1.891 2.135 ( -4.114 -2.297 -2.567) 5.365 2.184 ( -3.121 0.739 1.059) 3.378 2.227 ( -2.086 1.558 3.042) 4.004 2.284 ( 0.460 -0.804 1.091) 1.431 2.317 ( 1.040 0.367 2.305) 2.555 2.355 ( 1.369 -0.439 0.592) 1.555 2.384 ( 1.619 -2.261 -3.417) 4.406 2.400 ( 3.498 4.032 -4.273) 6.837 2.430 ( -1.764 -0.426 -1.657) 2.457 2.448 ( 3.378 3.369 -1.534) 5.011 2.504 ( -0.521 -0.931 2.275) 2.513 2.522 ( 1.862 -1.609 1.022) 2.665 2.540 ( 2.854 -0.448 -0.144) 2.892 2.562 ( 2.065 -2.773 2.262) 4.131 2.600 ( 2.006 -3.637 -0.601) 4.197 2.627 ( -1.714 1.453 -3.169) 3.885 2.687 ( 0.008 -3.503 -4.255) 5.512 2.743 ( 0.052 3.353 -1.313) 3.601 2.766 ( 0.280 1.155 -1.226) 1.708 2.833 ( 0.442 1.154 1.638) 2.052 2.853 ( 0.466 0.908 -1.631) 1.924 2.894 ( 3.075 0.520 4.312) 5.321 2.912 ( 1.901 0.610 3.766) 4.263 2.993 ( -0.939 1.552 -0.679) 1.938 3.013 ( 0.854 -1.658 -0.749) 2.010 3.039 ( -1.574 3.245 0.131) 3.609 3.105 ( 1.791 -2.212 0.031) 2.846 3.367 ( -2.846 1.141 0.536) 3.112 3.389 ( -3.291 -1.290 -0.322) 3.549 3.423 ( 0.966 4.730 0.436) 4.848 3.488 ( 1.147 -2.209 -0.826) 2.622 3.728 ( -2.155 2.043 -2.261) 3.733 3.777 ( -0.730 -2.290 -0.008) 2.404 3.789 ( -0.406 0.598 -0.125) 0.733 3.823 ( 0.590 -1.615 -0.202) 1.731 3.877 ( -0.327 -0.395 -1.433) 1.522 3.889 ( -0.130 -1.003 -0.633) 1.193 3.908 ( -1.669 1.127 1.307) 2.401 3.947 ( -1.849 -2.876 0.486) 3.454 3.996 ( -1.806 -0.024 -0.226) 1.820 4.002 ( -2.184 -0.466 -0.816) 2.377 4.041 ( -2.892 -0.318 2.836) 4.063 4.061 ( -3.291 -1.560 1.727) 4.030 4.141 ( -0.445 0.573 3.278) 3.357 4.165 ( 0.273 -1.176 3.134) 3.358 4.229 ( 0.241 -0.300 1.752) 1.794 4.251 ( 1.277 -2.035 -2.962) 3.814 4.280 ( 1.333 -0.201 -1.945) 2.367 4.309 ( 1.651 -2.010 -1.171) 2.852 4.376 ( -0.276 2.328 -1.561) 2.816 4.420 ( 1.424 -1.660 -0.951) 2.385 4.448 ( -0.150 1.533 1.440) 2.109 4.486 ( 0.634 -1.275 0.207) 1.439 4.505 ( 0.676 -0.345 2.378) 2.496 4.508 ( 0.206 -0.326 -0.214) 0.441 4.568 ( -0.388 0.068 -1.603) 1.651 4.584 ( 2.337 -1.692 -0.698) 2.969 4.659 ( -2.675 1.028 -0.376) 2.891 4.675 ( -1.206 -0.659 -1.063) 1.737 4.716 ( 0.957 1.249 0.665) 1.708 4.738 ( -0.810 -0.993 2.134) 2.489 4.770 ( 0.256 2.278 0.138) 2.296 4.823 ( 0.697 -3.095 -0.613) 3.231 4.859 ( -0.837 1.472 -1.100) 2.019 4.879 ( 1.555 0.300 -0.676) 1.722 4.892 ( 0.023 -1.541 -2.066) 2.578 4.918 ( 1.123 -2.931 -0.225) 3.147 5.026 ( -0.675 2.340 1.842) 3.054 5.063 ( 0.069 -0.937 2.043) 2.249 5.088 ( 0.201 0.586 0.049) 0.622 5.093 ( -0.369 -0.203 -0.284) 0.509 5.121 ( 0.968 2.392 -1.081) 2.798 5.151 ( 1.255 -0.774 -0.524) 1.565 5.197 ( -2.231 1.952 1.622) 3.379 5.237 ( -2.039 4.405 0.354) 4.867 5.244 ( -2.181 -2.075 1.257) 3.262 5.279 ( -0.311 0.663 -0.830) 1.107 5.387 ( -1.237 1.835 -0.425) 2.253 5.413 ( -2.023 -1.086 -1.188) 2.586 5.444 ( -0.287 4.857 2.031) 5.273 5.468 ( -0.851 1.873 0.026) 2.058 5.502 ( -1.167 0.666 -0.324) 1.382 5.572 ( -0.281 -2.528 1.341) 2.875 5.621 ( 1.812 5.353 -0.977) 5.736 5.715 ( 3.631 -2.365 -1.863) 4.717 5.750 ( 2.373 3.036 3.004) 4.886 5.791 ( 0.842 2.054 -1.584) 2.727 5.843 ( 0.767 -3.006 -2.518) 3.995 5.890 ( 0.268 -3.277 -3.010) 4.458 5.896 ( 0.233 1.631 0.453) 1.709 5.922 ( 0.933 -2.250 0.665) 2.525 6.007 ( 0.290 2.249 2.459) 3.345 6.046 ( 0.958 -1.628 0.039) 1.890 6.111 ( 1.704 -0.649 -0.479) 1.885 6.115 ( 0.965 -1.287 -2.934) 3.345 6.222 ( -2.511 3.352 2.814) 5.046 6.251 ( -0.610 0.528 -0.305) 0.863 6.306 ( 0.707 1.587 0.376) 1.777 6.333 ( 0.027 -0.959 -1.242) 1.569 6.357 ( -0.586 -2.322 -0.358) 2.421 6.375 ( -1.522 -5.074 2.264) 5.761 6.468 ( 1.656 1.569 -0.987) 2.486 6.512 ( 0.527 -2.930 -0.667) 3.051 6.589 ( -0.257 1.045 1.760) 2.063 6.621 ( -1.493 -1.776 1.329) 2.674 6.661 ( -1.776 1.844 1.121) 2.795 6.692 ( -0.645 -0.861 -1.158) 1.581 6.756 ( 0.993 1.301 0.015) 1.637 6.824 ( 1.823 -4.428 -0.006) 4.788 6.932 ( 0.459 1.283 0.111) 1.367 6.937 ( -1.405 0.487 0.053) 1.488 6.965 ( 0.392 0.578 0.244) 0.740 6.969 ( 1.123 0.394 -0.994) 1.551 6.980 ( -0.709 -0.006 -0.775) 1.050 6.995 ( 2.226 -0.676 -0.255) 2.341 7.117 ( 1.233 2.371 -0.055) 2.673 7.144 ( 1.693 -1.662 1.142) 2.633 7.160 ( 1.773 -0.917 1.534) 2.517 7.182 ( 2.022 -1.563 -1.370) 2.900 7.284 ( -0.951 0.556 -1.867) 2.167 7.303 ( 0.095 -0.894 -2.421) 2.582 7.307 ( -0.176 0.907 0.849) 1.255 7.316 ( 0.636 0.832 1.920) 2.187 7.368 ( 1.485 -1.682 -2.905) 3.671 7.379 ( 3.005 -2.642 2.711) 4.833 7.502 ( -0.742 1.194 -0.518) 1.498 7.521 ( 0.380 -0.412 -0.655) 0.862 7.589 ( -4.380 0.200 0.802) 4.457 7.594 ( -3.840 -0.119 0.310) 3.854 7.718 ( -0.539 2.168 1.405) 2.639 7.747 ( -0.539 -1.050 1.513) 1.920 7.800 ( -0.131 1.685 1.471) 2.241 7.818 ( -0.571 -0.495 0.636) 0.988 7.859 ( 1.233 1.116 -1.994) 2.596 7.867 ( 0.757 0.948 -3.299) 3.515 7.932 ( -0.557 0.427 -0.717) 1.003 7.967 ( -1.074 -2.629 -0.406) 2.869 8.041 ( -1.341 1.278 0.460) 1.909 8.066 ( -1.087 -1.597 0.629) 2.031 8.091 ( -0.058 1.911 -1.226) 2.271 8.136 ( -1.130 -2.308 -2.339) 3.475 8.211 ( -0.268 2.212 0.641) 2.318 8.234 ( -2.343 0.614 3.003) 3.858 8.290 ( 1.337 0.920 1.969) 2.552 8.320 ( -0.185 -1.343 1.821) 2.270 8.422 ( 0.359 0.739 -0.453) 0.939 8.427 ( 1.507 -0.330 -1.830) 2.393 8.502 ( -1.069 2.343 0.122) 2.578 8.551 ( -0.263 -1.866 -0.803) 2.049 8.607 ( -3.193 0.934 0.812) 3.424 8.660 ( -2.002 -3.805 -0.684) 4.353 8.801 ( -0.513 0.410 -0.089) 0.663 8.807 ( -1.540 -0.352 -0.093) 1.582 9.102 ( 1.598 1.991 -0.144) 2.557 9.127 ( 3.036 0.029 1.519) 3.395 9.166 ( 0.700 0.469 -1.438) 1.667 9.184 ( 1.495 -1.049 1.138) 2.152 9.295 ( 1.954 0.767 -0.309) 2.122 9.307 ( 1.753 -0.515 -0.238) 1.842 11.491 ( -1.650 0.442 0.123) 1.713 11.501 ( -1.787 -0.638 0.219) 1.910 11.574 ( 1.079 0.395 -0.183) 1.164 11.585 ( 0.954 -0.695 -0.505) 1.284 11.708 ( 0.428 1.144 0.277) 1.252 11.721 ( 1.035 1.331 -0.078) 1.688 11.726 ( 0.733 -0.776 0.056) 1.069 11.741 ( 1.357 -0.749 0.007) 1.550 12.091 ( 0.090 0.119 -0.070) 0.165 12.092 ( 0.115 -0.035 -0.000) 0.120 12.111 ( 0.073 0.378 0.202) 0.435 12.117 ( 0.264 -0.285 -0.132) 0.410 14.539 ( 1.633 1.678 -0.507) 2.396 14.558 ( 2.457 -0.069 0.240) 2.469 14.682 ( -0.393 2.007 -0.266) 2.062 14.726 ( 1.720 -2.275 1.604) 3.272 14.783 ( -0.571 1.902 -0.480) 2.043 14.817 ( 0.740 -1.518 -1.150) 2.043 14.839 ( -0.379 0.498 0.213) 0.661 14.851 ( 0.110 -0.714 0.954) 1.197 15.140 ( -0.532 1.420 -0.635) 1.643 15.157 ( -0.129 0.165 -0.387) 0.440 15.181 ( -0.420 0.367 -0.133) 0.573 15.194 ( -0.123 -0.528 0.691) 0.879 15.433 ( -0.544 0.372 -1.412) 1.558 15.463 ( 0.544 -2.927 1.239) 3.225 15.520 ( -1.096 0.007 -0.523) 1.215 15.532 ( -0.514 -1.225 0.381) 1.382 16.019 ( -0.346 2.773 1.996) 3.434 16.041 ( 0.563 1.538 -1.112) 1.979 16.085 ( -0.040 -1.279 -0.422) 1.347 16.109 ( 0.282 -3.170 -0.677) 3.253 16.390 ( 0.824 0.515 -0.187) 0.990 16.399 ( 1.036 -0.311 -1.404) 1.772 16.490 ( -0.533 -0.837 1.243) 1.590 16.499 ( -0.310 -2.027 0.532) 2.119 16.562 ( -1.492 0.763 1.230) 2.079 16.576 ( -1.315 -0.494 0.820) 1.626 16.714 ( 1.833 1.715 -0.753) 2.621 16.750 ( 2.667 -2.023 -1.334) 3.603 16.962 ( -3.436 3.982 0.161) 5.262 17.003 ( -0.883 2.795 2.274) 3.710 17.031 ( -2.100 -1.143 -1.952) 3.086 17.085 ( -0.046 -3.468 -0.653) 3.529 17.958 ( -1.032 1.363 0.205) 1.722 17.976 ( -1.115 -0.471 0.213) 1.229 18.054 ( 1.140 0.488 -0.251) 1.265 18.062 ( 1.546 -0.270 -0.339) 1.606 ======================= Grid point 37 (22/24) ======================= q-point: ( 0.40 0.40 -0.67) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.868 ( 1.964 9.611 -4.047) 10.612 0.973 ( 1.713 0.399 -2.354) 2.938 1.033 ( -3.791 -2.796 -2.485) 5.326 1.084 ( -9.659 -2.038 -1.383) 9.968 1.176 ( 7.234 8.290 1.456) 11.099 1.200 ( 3.496 -3.358 2.637) 5.518 1.262 ( -3.172 -2.717 -0.586) 4.217 1.312 ( 1.498 -2.221 5.915) 6.493 1.338 ( 6.003 -1.212 2.277) 6.534 1.394 ( 3.790 -3.589 0.427) 5.237 1.613 ( -1.779 2.700 -1.209) 3.452 1.638 ( -2.564 0.323 2.993) 3.955 1.707 ( -5.050 0.382 2.335) 5.577 1.759 ( -2.730 -2.906 -3.425) 5.256 1.769 ( -1.143 0.730 -1.541) 2.053 1.791 ( 0.773 -3.785 -6.276) 7.370 1.854 ( -2.552 -0.824 0.821) 2.805 1.887 ( -3.923 -3.049 8.093) 9.497 1.948 ( -4.308 2.040 -0.332) 4.778 1.981 ( -4.418 1.235 -2.793) 5.371 2.036 ( -2.161 -0.950 -1.802) 2.969 2.090 ( -0.501 -3.060 -3.805) 4.908 2.185 ( -1.135 1.426 2.260) 2.903 2.201 ( -0.677 -0.376 3.504) 3.588 2.310 ( 0.295 0.699 -4.088) 4.158 2.322 ( -0.104 -0.701 -4.126) 4.187 2.380 ( 1.148 2.016 2.689) 3.552 2.395 ( 2.120 0.826 2.478) 3.364 2.442 ( -0.440 2.459 2.386) 3.454 2.445 ( -2.725 1.112 1.201) 3.179 2.470 ( 4.390 4.846 -0.252) 6.543 2.521 ( -0.683 1.248 -0.910) 1.689 2.548 ( 2.484 -0.337 0.795) 2.630 2.570 ( 1.076 -1.007 2.371) 2.792 2.594 ( 2.700 2.154 -0.559) 3.499 2.624 ( 0.644 -3.039 -0.601) 3.164 2.658 ( 0.448 1.472 -2.419) 2.866 2.696 ( 1.118 -2.159 -1.066) 2.654 2.762 ( 3.274 2.054 -0.928) 3.975 2.790 ( 0.793 -1.180 0.695) 1.583 2.834 ( 0.444 1.944 1.562) 2.533 2.854 ( 1.503 0.298 -0.676) 1.675 2.938 ( -1.862 4.104 -0.078) 4.507 2.955 ( -0.813 1.196 -1.609) 2.163 2.999 ( 2.549 1.330 2.670) 3.923 3.010 ( -0.391 0.691 0.184) 0.815 3.030 ( 0.715 -2.065 0.417) 2.225 3.099 ( -1.978 -5.606 -1.433) 6.115 3.295 ( -2.760 1.176 -0.580) 3.056 3.306 ( -2.670 0.529 -1.505) 3.110 3.460 ( 0.623 3.056 1.772) 3.587 3.500 ( 0.793 -0.984 -1.165) 1.719 3.684 ( 0.045 1.529 -2.682) 3.088 3.724 ( -1.584 -2.303 -4.532) 5.325 3.805 ( 0.884 0.763 0.594) 1.310 3.829 ( -1.893 -0.700 0.755) 2.155 3.850 ( -0.055 -2.345 0.675) 2.440 3.865 ( -0.523 -3.086 -0.089) 3.131 3.913 ( 0.265 -0.976 2.273) 2.488 3.920 ( -0.720 -2.357 0.227) 2.475 3.963 ( -0.999 0.145 -0.082) 1.013 3.978 ( 0.341 -1.597 -1.052) 1.942 4.004 ( -1.791 0.139 1.333) 2.237 4.024 ( -1.599 -1.675 -0.224) 2.326 4.152 ( -1.041 1.382 3.581) 3.976 4.167 ( -2.144 -0.127 2.426) 3.240 4.191 ( -1.174 2.321 -2.474) 3.590 4.248 ( 1.113 -2.529 -3.948) 4.818 4.312 ( 0.345 1.329 2.023) 2.444 4.338 ( 0.655 -0.410 1.111) 1.353 4.385 ( 1.544 2.580 1.336) 3.290 4.431 ( 1.116 -1.078 -1.347) 2.054 4.456 ( -0.626 -0.594 -1.070) 1.375 4.478 ( -0.889 -1.543 -0.366) 1.818 4.506 ( 0.899 1.747 1.954) 2.771 4.522 ( 0.363 0.291 1.298) 1.379 4.600 ( 2.027 2.973 0.315) 3.612 4.614 ( 0.213 0.415 -0.076) 0.473 4.639 ( 0.635 -0.614 0.370) 0.958 4.659 ( -0.719 -2.653 0.599) 2.813 4.739 ( -0.022 0.703 1.299) 1.477 4.747 ( 1.194 0.067 0.329) 1.240 4.775 ( 0.422 1.515 0.320) 1.605 4.813 ( -0.771 -2.450 -0.197) 2.576 4.847 ( -0.627 0.506 -0.145) 0.819 4.875 ( -0.323 -2.254 -1.493) 2.722 4.902 ( 0.701 0.805 -2.194) 2.440 4.923 ( 0.502 -1.879 -2.881) 3.476 5.025 ( -0.047 2.173 1.041) 2.410 5.050 ( -1.058 -0.229 0.680) 1.278 5.102 ( -0.578 1.346 1.305) 1.962 5.113 ( 0.178 -0.069 1.745) 1.756 5.124 ( 1.171 2.669 0.053) 2.915 5.167 ( -0.168 -0.224 0.177) 0.331 5.187 ( 0.996 -0.752 1.667) 2.082 5.210 ( -0.607 2.485 0.911) 2.715 5.214 ( -1.685 -3.427 0.672) 3.878 5.261 ( -1.498 -1.529 0.413) 2.180 5.324 ( -2.171 2.614 -0.243) 3.407 5.365 ( -1.372 -2.043 -1.939) 3.133 5.447 ( -0.312 3.945 1.813) 4.352 5.474 ( -0.009 5.897 -0.136) 5.899 5.503 ( 0.702 -2.230 1.594) 2.830 5.555 ( 0.243 -0.935 -1.928) 2.156 5.683 ( 1.744 4.514 1.561) 5.085 5.728 ( 1.355 1.261 -4.996) 5.328 5.763 ( -2.175 0.285 -5.007) 5.466 5.798 ( 0.181 -1.019 -1.958) 2.214 5.852 ( 1.409 0.098 2.149) 2.572 5.865 ( 1.154 -0.543 0.142) 1.283 5.925 ( -0.488 -1.244 1.209) 1.802 5.944 ( 2.166 -3.204 -2.221) 4.459 6.041 ( 1.317 3.337 1.200) 3.783 6.072 ( 0.981 -0.587 -0.091) 1.147 6.108 ( 0.874 -1.141 -2.188) 2.618 6.131 ( -0.194 -2.134 -0.562) 2.215 6.206 ( -0.978 1.978 2.549) 3.372 6.243 ( -0.550 -0.313 0.827) 1.042 6.314 ( -1.334 -1.294 -0.246) 1.874 6.321 ( -0.159 -1.263 -1.097) 1.680 6.349 ( 1.421 -0.148 1.640) 2.176 6.374 ( -0.573 -3.410 2.635) 4.347 6.468 ( -1.166 0.047 0.840) 1.437 6.488 ( -1.227 -1.379 0.095) 1.848 6.620 ( 1.160 0.074 -0.582) 1.300 6.631 ( 1.069 -1.250 0.388) 1.690 6.660 ( 0.237 1.305 1.681) 2.142 6.688 ( 0.529 -0.796 -0.543) 1.099 6.784 ( 1.287 1.870 1.707) 2.840 6.843 ( -0.136 -3.474 0.664) 3.539 6.899 ( -1.449 2.046 -0.776) 2.624 6.933 ( -0.861 -1.327 -1.188) 1.978 6.953 ( 0.423 1.765 -0.766) 1.970 6.963 ( -0.432 1.441 -0.089) 1.507 6.994 ( 0.598 1.135 -0.588) 1.411 7.030 ( 1.090 -1.609 -1.472) 2.438 7.140 ( 0.762 4.320 0.586) 4.426 7.161 ( -0.558 1.115 0.251) 1.272 7.199 ( 0.592 -2.259 0.905) 2.504 7.213 ( 1.467 -3.072 -0.721) 3.480 7.261 ( -0.496 1.884 0.479) 2.006 7.292 ( 0.830 1.983 -2.742) 3.484 7.314 ( 0.691 -2.831 -0.424) 2.945 7.330 ( -0.113 -1.453 0.401) 1.511 7.395 ( 1.217 1.293 0.749) 1.927 7.453 ( 1.306 -3.311 2.375) 4.279 7.469 ( -1.071 1.177 0.012) 1.591 7.501 ( -0.961 -1.505 -0.210) 1.798 7.537 ( -0.964 0.811 0.165) 1.270 7.556 ( -0.050 -1.441 -1.367) 1.986 7.725 ( -0.033 2.852 1.196) 3.093 7.742 ( -0.435 1.554 -0.192) 1.625 7.767 ( -2.901 -1.551 1.425) 3.584 7.787 ( -0.582 -1.634 -2.408) 2.968 7.866 ( 0.067 2.058 0.502) 2.119 7.888 ( 0.650 -0.427 0.398) 0.874 7.925 ( 0.376 1.016 -0.050) 1.085 7.956 ( 0.406 -2.054 -0.397) 2.131 8.006 ( -0.741 1.967 -0.528) 2.168 8.043 ( -0.769 -1.895 -1.241) 2.392 8.101 ( 0.527 0.059 -0.070) 0.535 8.105 ( -0.284 -0.618 -0.008) 0.680 8.221 ( 0.635 0.241 -0.389) 0.783 8.224 ( -0.526 0.189 0.454) 0.720 8.307 ( -1.499 2.421 2.762) 3.966 8.329 ( -0.129 0.275 1.710) 1.736 8.392 ( -1.088 2.144 -0.362) 2.431 8.428 ( 0.120 -1.444 -1.686) 2.223 8.497 ( 0.367 0.377 -0.109) 0.538 8.527 ( -1.251 -2.391 -0.776) 2.808 8.584 ( -0.247 0.037 1.358) 1.381 8.629 ( -0.340 -4.035 -1.057) 4.185 8.780 ( -0.441 1.068 -0.165) 1.167 8.794 ( -0.052 -0.536 -0.741) 0.916 9.120 ( 0.142 1.567 0.240) 1.592 9.144 ( -0.994 -0.705 -0.546) 1.335 9.205 ( 1.958 1.967 1.760) 3.286 9.232 ( 2.284 -0.777 -0.184) 2.420 9.324 ( 0.653 0.732 -0.227) 1.007 9.331 ( 0.604 0.034 -0.439) 0.747 11.466 ( -0.654 0.276 0.105) 0.718 11.472 ( -0.962 -0.307 0.051) 1.012 11.589 ( 0.502 -0.052 -0.246) 0.561 11.595 ( 0.386 -0.601 -0.523) 0.886 11.721 ( 0.315 1.447 0.616) 1.604 11.736 ( 0.592 1.337 -0.401) 1.516 11.746 ( 0.534 -0.671 0.625) 1.061 11.763 ( 0.656 -0.947 -0.296) 1.189 12.093 ( 0.109 0.129 0.024) 0.171 12.095 ( 0.085 -0.047 0.016) 0.099 12.113 ( 0.005 0.363 0.173) 0.402 12.120 ( 0.111 -0.309 -0.230) 0.401 14.577 ( 1.933 1.741 -0.081) 2.603 14.606 ( 0.989 -1.302 0.005) 1.635 14.676 ( 0.576 4.073 0.017) 4.113 14.734 ( -1.267 -1.263 -1.087) 2.093 14.801 ( 0.705 1.053 2.539) 2.838 14.823 ( 0.758 -0.529 -0.641) 1.125 14.836 ( 0.401 -0.270 -0.106) 0.495 14.857 ( -0.825 -2.422 1.238) 2.842 15.128 ( 0.171 1.240 -0.791) 1.480 15.146 ( -0.002 0.062 -1.055) 1.056 15.166 ( -0.466 0.400 -0.432) 0.751 15.188 ( -0.894 -1.163 -0.019) 1.467 15.430 ( 0.930 2.100 -0.347) 2.323 15.468 ( -0.853 -1.276 -0.179) 1.545 15.499 ( 0.017 -0.454 -0.122) 0.471 15.518 ( -0.888 -1.695 0.054) 1.915 16.021 ( -0.829 3.319 1.578) 3.768 16.047 ( 0.946 2.588 -1.511) 3.143 16.087 ( -0.020 -3.097 0.584) 3.151 16.104 ( -0.014 -3.587 -0.558) 3.630 16.406 ( 0.833 0.965 -0.161) 1.285 16.417 ( 1.353 -0.249 -0.948) 1.671 16.486 ( -0.611 -0.821 0.569) 1.171 16.492 ( -0.561 -1.670 0.211) 1.774 16.547 ( -0.721 0.081 0.996) 1.232 16.555 ( -1.189 -0.731 0.982) 1.707 16.756 ( 2.258 2.064 -0.241) 3.069 16.785 ( 1.201 -0.945 -0.924) 1.786 16.903 ( -1.816 4.604 0.218) 4.954 16.958 ( -2.335 1.626 -2.581) 3.842 17.021 ( 0.257 -1.588 2.694) 3.138 17.072 ( -0.455 -4.124 -0.467) 4.175 17.950 ( -0.030 0.450 0.289) 0.535 17.957 ( -0.804 -0.216 0.321) 0.892 18.071 ( 0.571 0.538 -0.008) 0.785 18.079 ( 0.387 -0.308 -0.254) 0.556 ======================= Grid point 38 (23/24) ======================= q-point: (-0.40 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.823 ( -8.033 7.832 -1.536) 11.323 0.912 ( -3.185 1.554 0.813) 3.636 0.951 ( 3.782 1.319 2.227) 4.583 1.103 ( 4.646 -11.844 0.915) 12.756 1.194 ( 0.375 3.128 -1.649) 3.555 1.246 ( 1.065 -1.826 0.499) 2.172 1.331 ( -6.068 4.194 -6.063) 9.548 1.365 ( 3.866 4.352 1.546) 6.022 1.389 ( 3.212 -1.621 -3.049) 4.716 1.461 ( 1.250 -1.658 -0.236) 2.090 1.598 ( 0.833 -1.196 1.454) 2.059 1.625 ( -2.054 -1.277 5.964) 6.436 1.676 ( 0.606 -1.457 1.948) 2.507 1.697 ( 0.057 -2.331 1.125) 2.588 1.767 ( 4.984 -0.830 -6.822) 8.489 1.782 ( 1.117 0.839 -1.641) 2.155 1.862 ( 4.698 2.668 1.452) 5.594 1.920 ( 0.723 4.732 1.432) 4.997 1.923 ( 2.669 -1.880 -0.364) 3.285 1.942 ( 1.602 -1.463 3.374) 4.011 2.022 ( 0.665 -4.369 1.844) 4.788 2.068 ( 1.755 -4.981 -3.931) 6.584 2.172 ( -1.205 1.248 2.417) 2.975 2.205 ( -1.576 -1.875 2.384) 3.419 2.275 ( -0.628 3.144 -1.300) 3.460 2.335 ( 2.866 -1.674 -3.074) 4.524 2.375 ( -1.849 3.440 0.724) 3.972 2.414 ( -1.265 0.361 1.319) 1.863 2.418 ( -1.577 0.841 0.546) 1.868 2.431 ( -2.302 0.529 2.805) 3.667 2.505 ( -2.432 2.616 2.061) 4.123 2.527 ( 0.500 2.222 -2.129) 3.118 2.566 ( 1.149 1.805 1.224) 2.465 2.591 ( -0.153 0.825 1.533) 1.747 2.608 ( 1.366 -0.687 -5.454) 5.665 2.619 ( -0.496 -1.888 -1.345) 2.371 2.673 ( -0.749 0.905 -2.188) 2.484 2.709 ( -0.518 -2.630 -2.067) 3.384 2.777 ( 0.991 1.772 1.607) 2.589 2.789 ( 1.783 0.385 0.800) 1.992 2.840 ( -3.073 3.074 -1.938) 4.760 2.881 ( -1.849 0.826 -0.544) 2.096 2.921 ( 0.095 0.328 -0.188) 0.390 2.940 ( 2.238 0.101 -0.471) 2.289 2.983 ( -2.485 1.352 1.736) 3.319 3.005 ( -2.844 0.985 2.354) 3.821 3.031 ( -1.187 -0.432 1.170) 1.722 3.085 ( 2.012 -4.108 -0.985) 4.679 3.285 ( 1.978 1.377 -0.105) 2.412 3.298 ( 3.037 0.096 -0.949) 3.184 3.471 ( -0.813 2.367 1.460) 2.898 3.495 ( -0.415 -0.394 -1.253) 1.377 3.667 ( -0.690 0.033 -2.039) 2.153 3.677 ( 0.694 -1.021 -0.844) 1.496 3.816 ( 1.112 -1.308 0.947) 1.961 3.832 ( 1.858 -2.365 0.165) 3.013 3.852 ( -1.090 0.603 -0.826) 1.495 3.871 ( 1.207 -0.244 -0.188) 1.246 3.923 ( -0.044 -3.041 -0.379) 3.065 3.933 ( 0.898 -2.716 -0.137) 2.864 3.969 ( 0.548 0.810 2.624) 2.801 3.984 ( 0.628 -0.381 -0.820) 1.101 3.991 ( 0.867 -0.847 -1.925) 2.274 4.005 ( 0.277 -2.066 2.392) 3.173 4.139 ( -1.370 1.279 2.238) 2.919 4.152 ( -1.483 -0.613 3.927) 4.242 4.207 ( 2.739 1.760 -1.433) 3.557 4.244 ( 1.354 -1.080 -3.328) 3.752 4.318 ( -0.579 1.239 1.109) 1.760 4.347 ( -0.021 0.348 0.546) 0.648 4.415 ( -0.534 0.319 -0.312) 0.696 4.433 ( -0.705 -0.108 -1.331) 1.510 4.451 ( 0.183 0.695 -0.392) 0.818 4.459 ( 1.371 -0.254 0.328) 1.432 4.521 ( -1.030 1.329 1.052) 1.984 4.559 ( 0.373 -1.874 -1.201) 2.257 4.591 ( -0.912 2.161 0.436) 2.386 4.629 ( -0.477 1.215 0.864) 1.566 4.645 ( 1.147 -0.316 -0.953) 1.524 4.661 ( 0.662 -1.589 0.283) 1.745 4.717 ( -2.925 2.764 1.410) 4.264 4.770 ( -0.603 -1.544 -0.135) 1.663 4.793 ( -0.365 0.204 -0.600) 0.731 4.809 ( 1.891 -0.301 0.392) 1.955 4.834 ( -0.539 -0.787 1.074) 1.436 4.846 ( -1.195 -1.302 -0.298) 1.792 4.900 ( 1.071 -0.570 -1.579) 1.991 4.908 ( 1.262 -0.741 -2.389) 2.802 5.045 ( 0.700 2.178 -0.060) 2.289 5.057 ( 1.358 0.835 -0.162) 1.602 5.082 ( -0.971 0.328 2.686) 2.875 5.105 ( -1.045 -2.003 0.085) 2.261 5.166 ( -0.820 2.102 -0.281) 2.274 5.174 ( 0.379 0.586 0.328) 0.771 5.187 ( -0.067 1.694 0.051) 1.696 5.209 ( 2.279 0.250 1.064) 2.528 5.223 ( -0.957 -1.386 1.803) 2.468 5.263 ( 0.739 -2.766 -0.159) 2.868 5.330 ( 2.065 -0.195 0.424) 2.117 5.336 ( 0.844 -1.231 -1.191) 1.910 5.446 ( -0.983 5.844 1.586) 6.134 5.483 ( 0.879 5.938 -0.168) 6.005 5.512 ( -0.724 -1.727 0.769) 2.025 5.558 ( 0.796 0.000 -1.145) 1.395 5.661 ( -2.803 1.187 -0.973) 3.195 5.680 ( -2.476 -0.410 -0.545) 2.568 5.753 ( 0.809 0.018 0.523) 0.963 5.777 ( 1.497 -0.933 -3.989) 4.362 5.857 ( -1.069 1.475 -0.142) 1.827 5.893 ( -1.175 -3.112 1.106) 3.505 5.916 ( 0.263 2.693 -0.886) 2.847 5.967 ( 1.531 -2.594 -2.037) 3.636 6.029 ( -3.433 2.104 1.342) 4.245 6.067 ( -2.572 -1.060 0.856) 2.911 6.105 ( 0.752 -0.472 -1.700) 1.918 6.130 ( 1.309 -1.801 -1.114) 2.490 6.224 ( 0.605 1.589 2.194) 2.776 6.248 ( 0.705 0.017 0.054) 0.707 6.291 ( -0.286 -0.499 0.637) 0.858 6.328 ( 0.868 -1.718 -0.296) 1.948 6.371 ( -0.938 -0.974 0.522) 1.449 6.396 ( 1.499 -1.794 0.288) 2.355 6.451 ( -0.975 0.545 1.463) 1.841 6.487 ( 0.250 -2.742 0.524) 2.803 6.621 ( -0.621 0.515 0.048) 0.808 6.655 ( 1.355 -2.709 -2.076) 3.672 6.672 ( 0.009 1.730 1.499) 2.289 6.688 ( 0.045 0.294 -0.631) 0.698 6.792 ( -3.100 1.101 1.617) 3.665 6.831 ( -0.796 -2.704 1.366) 3.133 6.897 ( 1.342 1.091 -0.398) 1.774 6.917 ( 1.337 -0.658 -0.802) 1.692 6.956 ( 0.162 2.828 -0.633) 2.902 6.962 ( 0.480 1.909 -0.199) 1.978 7.006 ( 0.624 -0.647 -0.039) 0.900 7.015 ( -0.127 -0.722 -2.384) 2.494 7.135 ( -1.852 3.872 1.086) 4.428 7.162 ( 0.382 1.818 0.471) 1.917 7.195 ( -1.761 -2.372 0.418) 2.983 7.223 ( -0.016 -3.711 -0.380) 3.731 7.240 ( -2.038 1.280 0.924) 2.579 7.289 ( -1.571 -2.419 1.272) 3.152 7.298 ( -0.055 0.330 -2.110) 2.137 7.329 ( -0.397 -1.961 -0.976) 2.227 7.420 ( 0.128 2.691 1.658) 3.163 7.469 ( 1.680 -1.362 -1.386) 2.568 7.484 ( -0.492 0.546 -0.812) 1.095 7.501 ( 1.536 0.399 1.027) 1.890 7.526 ( -0.558 0.221 0.643) 0.880 7.558 ( 1.661 -2.876 -1.286) 3.562 7.707 ( -1.467 0.700 1.001) 1.909 7.717 ( -2.163 -0.699 2.548) 3.414 7.755 ( 1.400 3.382 -0.438) 3.687 7.806 ( 2.326 -1.959 -1.355) 3.329 7.871 ( -0.507 1.715 1.340) 2.235 7.897 ( 1.412 -0.572 -1.399) 2.068 7.944 ( 1.172 0.527 -0.039) 1.286 7.957 ( 0.364 -0.449 -1.406) 1.520 8.018 ( 1.268 -0.833 0.692) 1.667 8.022 ( 0.141 -0.753 -1.663) 1.831 8.100 ( -0.359 0.445 0.100) 0.581 8.112 ( 0.600 -0.729 -0.354) 1.009 8.216 ( -0.196 1.617 0.020) 1.629 8.235 ( 1.325 -0.235 -0.741) 1.536 8.297 ( -1.722 1.960 3.144) 4.086 8.334 ( -1.409 -0.967 2.318) 2.880 8.386 ( 0.869 2.961 -0.614) 3.146 8.431 ( 1.505 -1.083 -1.609) 2.455 8.500 ( -0.160 -0.072 -0.217) 0.279 8.520 ( 1.285 -1.847 -0.314) 2.272 8.598 ( 0.304 -0.986 1.271) 1.637 8.622 ( 0.976 -3.375 -1.455) 3.803 8.778 ( -0.009 0.568 0.379) 0.683 8.785 ( -0.203 -0.120 -0.676) 0.716 9.109 ( -1.870 1.214 0.749) 2.352 9.124 ( -0.765 -0.371 0.777) 1.152 9.234 ( -0.142 1.778 0.029) 1.783 9.257 ( 0.696 -0.667 -1.583) 1.853 9.315 ( -1.551 0.695 0.593) 1.800 9.320 ( -1.291 0.110 -0.051) 1.297 11.467 ( 0.554 0.124 0.039) 0.569 11.470 ( 0.833 -0.132 0.181) 0.862 11.589 ( -0.358 -0.196 -0.178) 0.445 11.593 ( -0.204 -0.522 -0.455) 0.721 11.724 ( -0.619 1.587 0.613) 1.810 11.734 ( -0.430 1.311 -0.421) 1.443 11.751 ( -0.529 -0.854 0.612) 1.176 11.759 ( -0.610 -0.846 -0.446) 1.134 12.094 ( -0.076 0.060 0.012) 0.097 12.095 ( -0.074 0.013 -0.038) 0.085 12.114 ( -0.130 0.266 0.262) 0.396 12.118 ( -0.041 -0.202 -0.238) 0.315 14.581 ( -2.160 1.619 -0.330) 2.719 14.602 ( -0.203 -0.423 0.247) 0.530 14.683 ( -1.751 2.814 -0.377) 3.336 14.719 ( 1.656 -0.358 0.104) 1.697 14.805 ( -0.582 0.334 0.908) 1.129 14.829 ( -1.709 -2.123 0.377) 2.752 14.844 ( 1.321 0.712 -0.649) 1.635 14.869 ( 1.384 -1.685 0.432) 2.223 15.121 ( -0.978 1.420 -0.435) 1.778 15.137 ( 0.170 0.720 -0.711) 1.026 15.160 ( -0.535 -0.258 0.237) 0.640 15.184 ( 1.208 -1.697 0.010) 2.084 15.434 ( -1.544 2.058 -0.794) 2.693 15.455 ( 1.145 0.624 0.722) 1.491 15.503 ( -0.308 -1.409 -0.344) 1.482 15.515 ( 1.004 -1.882 0.252) 2.148 16.014 ( -0.906 3.218 1.307) 3.589 16.056 ( 1.000 2.747 -1.261) 3.184 16.081 ( -0.878 -3.824 0.513) 3.957 16.110 ( 0.751 -2.886 -0.543) 3.031 16.410 ( -0.523 0.985 -0.413) 1.190 16.424 ( 0.166 -0.330 -1.489) 1.534 16.482 ( -0.357 -0.903 1.109) 1.474 16.488 ( 0.176 -1.448 0.291) 1.488 16.544 ( -0.306 0.386 1.400) 1.484 16.559 ( 0.817 -1.151 0.601) 1.534 16.762 ( -2.028 1.969 -0.547) 2.879 16.782 ( -0.431 -0.186 -0.818) 0.943 16.915 ( 1.810 2.410 1.156) 3.229 16.917 ( 0.757 2.701 -1.085) 3.007 17.055 ( 1.326 -2.170 1.272) 2.843 17.067 ( 0.682 -3.217 -1.427) 3.585 17.951 ( 0.091 0.679 0.244) 0.727 17.961 ( 0.921 -0.442 0.085) 1.025 18.072 ( -0.554 0.469 -0.028) 0.727 18.080 ( -0.013 -0.396 -0.351) 0.530 ======================= Grid point 39 (24/24) ======================= q-point: (-0.20 0.40 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 38 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( -0.638 16.598 4.534) 17.217 0.878 ( -1.118 12.924 3.370) 13.403 1.063 ( 2.132 -6.786 4.838) 8.602 1.139 ( -4.764 6.826 -6.461) 10.537 1.188 ( 3.796 -5.691 2.419) 7.256 1.201 ( -0.850 2.543 -5.414) 6.041 1.294 ( -0.055 -10.444 -3.337) 10.965 1.349 ( 5.208 -8.570 -2.273) 10.283 1.412 ( 0.026 -0.390 -6.369) 6.381 1.433 ( 1.112 -1.853 -2.866) 3.590 1.636 ( -0.453 0.733 0.256) 0.899 1.657 ( -3.293 -0.170 -0.801) 3.393 1.698 ( 2.371 2.708 5.662) 6.709 1.756 ( -0.782 8.946 4.983) 10.271 1.776 ( 2.129 -3.505 4.037) 5.755 1.860 ( 5.178 -1.119 -2.660) 5.928 1.941 ( 1.682 3.949 0.373) 4.308 2.007 ( 5.317 -1.188 0.051) 5.449 2.014 ( 2.432 -0.674 0.963) 2.701 2.059 ( 7.315 0.657 2.239) 7.678 2.079 ( 0.635 -4.032 1.882) 4.494 2.099 ( 4.135 -0.072 0.054) 4.136 2.196 ( 1.202 -0.087 0.892) 1.499 2.211 ( 1.238 -0.293 3.919) 4.120 2.255 ( 0.475 0.426 2.290) 2.378 2.325 ( -3.500 -4.037 -0.162) 5.345 2.360 ( 0.361 3.982 -2.463) 4.696 2.379 ( -1.981 0.153 -1.647) 2.581 2.385 ( -1.504 0.265 -1.161) 1.918 2.401 ( 0.651 -0.949 -1.404) 1.815 2.484 ( -3.243 1.666 -0.205) 3.652 2.508 ( 1.595 0.122 0.908) 1.839 2.535 ( -5.621 -0.370 0.938) 5.711 2.563 ( -3.031 -2.213 -1.509) 4.045 2.597 ( 2.372 1.000 -3.271) 4.163 2.618 ( -0.844 0.377 -0.590) 1.096 2.637 ( 1.278 -1.721 -3.632) 4.217 2.649 ( -2.718 -1.922 -0.904) 3.450 2.759 ( -1.420 1.067 -2.058) 2.719 2.770 ( -0.010 0.935 -2.496) 2.666 2.821 ( 0.408 3.587 0.760) 3.690 2.856 ( -1.221 -0.405 -0.406) 1.349 2.916 ( -1.805 1.596 4.373) 4.993 2.950 ( 0.172 -1.766 4.108) 4.475 2.968 ( -2.068 0.445 -0.293) 2.136 2.982 ( -0.471 -0.721 -1.419) 1.660 3.042 ( 1.895 4.478 -0.393) 4.878 3.105 ( -0.383 -1.455 0.211) 1.519 3.342 ( 1.821 1.740 1.751) 3.068 3.370 ( 3.704 -0.840 0.469) 3.827 3.451 ( -1.839 1.468 -0.447) 2.395 3.473 ( -0.376 -0.378 -0.052) 0.535 3.679 ( 2.121 1.556 0.869) 2.770 3.713 ( 1.876 -2.113 2.220) 3.594 3.823 ( 0.545 0.791 -1.995) 2.214 3.836 ( -0.611 -0.332 -0.890) 1.130 3.866 ( 0.132 -0.136 0.285) 0.343 3.894 ( 2.077 -3.361 -1.107) 4.103 3.929 ( -0.119 -0.534 0.202) 0.584 3.946 ( 1.654 -2.355 -0.301) 2.894 3.995 ( 2.136 2.179 -1.339) 3.332 4.008 ( 0.276 1.373 4.091) 4.324 4.036 ( 3.289 -2.553 -0.428) 4.185 4.052 ( 1.584 -2.549 2.874) 4.155 4.142 ( -0.250 0.462 2.760) 2.810 4.156 ( -1.432 -1.304 3.268) 3.799 4.232 ( -0.402 1.640 -2.114) 2.705 4.252 ( 1.934 -0.621 -1.097) 2.308 4.319 ( -1.992 0.081 -1.804) 2.689 4.332 ( 1.317 -1.744 -2.920) 3.648 4.371 ( -2.680 0.196 -0.093) 2.689 4.393 ( -1.153 -0.932 -0.167) 1.492 4.460 ( -0.856 0.508 -0.085) 0.999 4.476 ( -0.194 -1.133 1.582) 1.955 4.505 ( -2.067 -0.011 -1.257) 2.419 4.525 ( 0.758 -1.581 0.752) 1.908 4.591 ( 0.809 1.320 -1.477) 2.140 4.619 ( -2.803 -1.412 -1.852) 3.644 4.648 ( 0.868 1.362 0.112) 1.619 4.662 ( 1.583 -0.470 0.026) 1.652 4.708 ( 1.186 2.596 0.945) 3.006 4.744 ( -1.200 -0.407 0.303) 1.303 4.775 ( -2.168 -0.223 0.971) 2.386 4.805 ( -0.779 -1.619 -0.919) 2.018 4.845 ( 0.793 0.040 0.070) 0.797 4.869 ( 2.182 -1.748 -0.919) 2.943 4.903 ( 0.734 0.959 -0.689) 1.391 4.934 ( 1.472 -1.285 -1.692) 2.585 5.042 ( -0.962 1.701 0.578) 2.038 5.075 ( -1.317 -0.859 0.762) 1.747 5.092 ( 1.711 1.509 -0.275) 2.298 5.123 ( 1.365 -0.560 0.267) 1.500 5.125 ( -1.155 1.782 -2.320) 3.145 5.159 ( -1.814 -1.846 -1.673) 3.081 5.207 ( 2.116 1.953 0.731) 2.971 5.228 ( 0.774 0.764 1.073) 1.528 5.255 ( 0.343 2.343 0.455) 2.411 5.271 ( 1.458 -0.432 0.475) 1.593 5.356 ( 0.434 0.318 1.618) 1.705 5.382 ( 1.222 -1.667 0.535) 2.135 5.460 ( 1.071 5.803 0.652) 5.936 5.486 ( 0.301 5.360 -1.566) 5.592 5.510 ( 0.512 0.146 -0.520) 0.744 5.569 ( 1.173 -0.913 1.353) 2.010 5.616 ( -1.798 0.642 2.532) 3.171 5.641 ( -1.888 -1.257 0.387) 2.301 5.734 ( -1.421 2.294 0.493) 2.744 5.809 ( 0.429 -0.744 1.837) 2.028 5.812 ( -1.635 -1.369 -2.744) 3.476 5.860 ( -1.944 -4.862 0.213) 5.241 5.908 ( 0.411 3.416 -1.072) 3.604 5.958 ( -0.921 -2.004 -1.871) 2.892 5.984 ( -1.708 2.778 2.749) 4.265 6.033 ( -0.915 -2.333 1.580) 2.963 6.102 ( -0.152 0.647 -1.476) 1.619 6.131 ( -0.050 -1.981 -1.580) 2.534 6.253 ( 0.921 1.835 0.166) 2.060 6.262 ( 0.996 0.217 -0.793) 1.292 6.308 ( 0.941 0.556 0.605) 1.249 6.338 ( 0.921 1.240 -1.957) 2.493 6.363 ( -0.228 -1.213 0.630) 1.385 6.399 ( -1.129 -0.721 -0.074) 1.342 6.453 ( -0.347 -1.947 0.706) 2.100 6.480 ( -0.999 -3.307 0.049) 3.455 6.611 ( -0.200 0.975 0.976) 1.394 6.656 ( 0.233 -3.560 0.499) 3.603 6.689 ( 0.688 1.577 -1.674) 2.400 6.694 ( 2.354 0.740 -1.966) 3.156 6.746 ( -1.759 1.263 0.878) 2.337 6.812 ( -1.974 -4.531 0.985) 5.039 6.922 ( 0.810 1.696 0.258) 1.897 6.948 ( 0.630 -0.635 0.638) 1.099 6.957 ( 0.237 2.346 -1.341) 2.712 6.971 ( 0.740 1.228 -0.112) 1.438 6.996 ( -0.717 0.160 -0.736) 1.040 6.999 ( -1.023 -1.430 -1.228) 2.144 7.102 ( -1.881 2.077 0.634) 2.873 7.145 ( -2.113 -0.826 0.489) 2.321 7.159 ( -1.697 -1.925 0.016) 2.566 7.202 ( -1.124 -3.792 -1.461) 4.216 7.226 ( -0.130 1.422 2.815) 3.156 7.262 ( -0.830 -2.085 1.929) 2.959 7.293 ( -0.495 0.389 -0.146) 0.646 7.308 ( -0.263 -1.229 0.399) 1.319 7.407 ( -1.052 2.917 -3.149) 4.419 7.458 ( -1.720 -2.136 -2.619) 3.792 7.481 ( 0.583 1.192 0.528) 1.428 7.502 ( -0.292 -0.936 0.676) 1.191 7.590 ( 4.588 1.796 1.049) 5.037 7.609 ( 3.899 -0.675 -1.167) 4.125 7.709 ( -0.268 1.112 3.171) 3.371 7.729 ( 0.315 -0.732 4.492) 4.562 7.774 ( 0.524 1.937 -1.305) 2.394 7.802 ( -1.275 -1.272 -1.061) 2.090 7.874 ( 0.577 2.468 -1.335) 2.865 7.920 ( 2.081 -1.353 -4.231) 4.906 7.945 ( 0.206 0.059 -1.453) 1.469 7.962 ( 0.061 -1.459 0.043) 1.461 8.039 ( 2.249 0.704 0.043) 2.357 8.055 ( 0.875 -1.192 1.490) 2.099 8.095 ( 0.463 1.650 -0.961) 1.965 8.123 ( 1.145 -1.186 -0.748) 1.810 8.216 ( -0.293 3.709 0.070) 3.721 8.260 ( 1.046 0.411 0.620) 1.284 8.295 ( -0.637 -1.476 2.965) 3.373 8.301 ( -2.485 -1.006 2.028) 3.362 8.400 ( -0.277 2.679 -0.497) 2.739 8.448 ( 0.424 -1.894 -1.593) 2.511 8.505 ( 0.899 1.758 -0.095) 1.976 8.539 ( 0.678 -0.941 -0.121) 1.166 8.625 ( 2.315 -0.598 -0.177) 2.398 8.658 ( 2.958 -3.459 -0.828) 4.626 8.788 ( 0.867 0.308 0.826) 1.236 8.791 ( 0.835 -0.058 0.867) 1.205 9.067 ( -2.753 2.199 1.487) 3.825 9.101 ( -2.536 -1.437 1.752) 3.401 9.204 ( -1.390 2.101 -2.244) 3.374 9.237 ( -1.334 -1.554 -2.162) 2.979 9.279 ( -1.636 0.927 0.749) 2.024 9.291 ( -1.716 -0.282 0.904) 1.960 11.491 ( 1.622 0.393 0.075) 1.670 11.499 ( 1.605 -0.458 0.328) 1.701 11.575 ( -0.851 -0.019 -0.082) 0.855 11.579 ( -0.769 -0.478 -0.292) 0.952 11.708 ( -0.936 1.282 0.221) 1.603 11.719 ( -0.634 0.780 -0.022) 1.005 11.733 ( -1.192 -0.457 -0.301) 1.312 11.740 ( -1.012 -0.606 0.088) 1.183 12.091 ( -0.149 0.116 -0.036) 0.193 12.092 ( -0.131 -0.069 -0.009) 0.149 12.112 ( -0.184 0.222 0.219) 0.362 12.116 ( -0.058 -0.105 -0.168) 0.207 14.535 ( -1.688 2.142 -0.204) 2.735 14.573 ( -1.984 -1.850 -0.758) 2.817 14.657 ( -0.798 4.273 1.263) 4.527 14.736 ( -0.762 -3.803 0.876) 3.977 14.803 ( 0.019 0.073 -0.953) 0.956 14.807 ( 0.170 -0.187 -0.646) 0.694 14.856 ( 0.454 1.365 -1.264) 1.915 14.880 ( -0.275 -1.200 -0.999) 1.585 15.109 ( -0.135 1.155 1.359) 1.789 15.132 ( 0.015 -0.921 1.235) 1.540 15.170 ( 0.460 1.742 0.600) 1.899 15.204 ( 0.440 -1.725 -0.029) 1.780 15.407 ( -0.565 3.320 0.473) 3.400 15.473 ( -0.025 -3.612 0.224) 3.620 15.508 ( 0.889 0.916 0.253) 1.301 15.535 ( 0.672 -1.727 0.089) 1.855 16.008 ( -0.692 2.920 1.435) 3.326 16.063 ( -1.017 -2.685 0.139) 2.875 16.069 ( 1.178 2.298 -1.072) 2.795 16.115 ( 0.145 -2.409 -0.760) 2.531 16.389 ( -0.675 0.855 -0.619) 1.253 16.409 ( -0.068 -0.995 -1.783) 2.043 16.486 ( -0.452 -0.887 1.807) 2.063 16.495 ( -0.020 -1.658 0.630) 1.773 16.560 ( 0.621 1.123 1.392) 1.893 16.585 ( 0.923 -1.150 0.377) 1.521 16.714 ( -1.482 1.745 -0.811) 2.429 16.744 ( -1.881 -1.353 -1.002) 2.524 16.949 ( 2.075 3.432 0.662) 4.065 16.983 ( 2.860 0.931 1.812) 3.511 17.069 ( 0.858 -1.167 -2.682) 3.048 17.087 ( 1.090 -1.996 -0.359) 2.303 17.965 ( 1.195 1.542 -0.161) 1.958 17.987 ( 1.525 -0.777 -0.410) 1.760 18.052 ( -1.236 0.526 -0.105) 1.347 18.063 ( -1.469 -0.543 -0.534) 1.655 =================== 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 3/17100 10.0 42.174 89.709 57.383 0.000 -8.617 0.000 3/17100 20.0 11.447 20.660 16.313 0.000 -2.183 0.000 3/17100 30.0 6.026 9.979 8.436 0.000 -1.076 0.000 3/17100 40.0 3.885 6.198 5.381 0.000 -0.660 0.000 3/17100 50.0 2.785 4.364 3.835 0.000 -0.455 0.000 3/17100 60.0 2.139 3.321 2.938 0.000 -0.338 0.000 3/17100 70.0 1.726 2.664 2.366 0.000 -0.266 0.000 3/17100 80.0 1.442 2.219 1.975 0.000 -0.219 0.000 3/17100 90.0 1.238 1.900 1.694 0.000 -0.185 0.000 3/17100 100.0 1.085 1.661 1.484 0.000 -0.160 0.000 3/17100 110.0 0.965 1.477 1.320 0.000 -0.141 0.000 3/17100 120.0 0.870 1.330 1.190 0.000 -0.126 0.000 3/17100 130.0 0.792 1.211 1.083 0.000 -0.115 0.000 3/17100 140.0 0.728 1.111 0.995 0.000 -0.105 0.000 3/17100 150.0 0.673 1.027 0.920 0.000 -0.096 0.000 3/17100 160.0 0.627 0.956 0.856 0.000 -0.089 0.000 3/17100 170.0 0.586 0.894 0.801 0.000 -0.083 0.000 3/17100 180.0 0.551 0.840 0.753 0.000 -0.078 0.000 3/17100 190.0 0.520 0.792 0.710 0.000 -0.073 0.000 3/17100 200.0 0.492 0.750 0.672 0.000 -0.069 0.000 3/17100 210.0 0.467 0.712 0.638 0.000 -0.066 0.000 3/17100 220.0 0.445 0.677 0.607 0.000 -0.062 0.000 3/17100 230.0 0.424 0.646 0.580 0.000 -0.060 0.000 3/17100 240.0 0.406 0.618 0.554 0.000 -0.057 0.000 3/17100 250.0 0.389 0.592 0.531 0.000 -0.054 0.000 3/17100 260.0 0.373 0.569 0.510 0.000 -0.052 0.000 3/17100 270.0 0.359 0.547 0.490 0.000 -0.050 0.000 3/17100 280.0 0.346 0.527 0.472 0.000 -0.048 0.000 3/17100 290.0 0.334 0.508 0.456 0.000 -0.046 0.000 3/17100 300.0 0.322 0.491 0.440 0.000 -0.045 0.000 3/17100 310.0 0.312 0.475 0.425 0.000 -0.043 0.000 3/17100 320.0 0.302 0.460 0.412 0.000 -0.042 0.000 3/17100 330.0 0.292 0.445 0.399 0.000 -0.041 0.000 3/17100 340.0 0.284 0.432 0.387 0.000 -0.039 0.000 3/17100 350.0 0.275 0.420 0.376 0.000 -0.038 0.000 3/17100 360.0 0.268 0.408 0.365 0.000 -0.037 0.000 3/17100 370.0 0.260 0.397 0.355 0.000 -0.036 0.000 3/17100 380.0 0.253 0.386 0.346 0.000 -0.035 0.000 3/17100 390.0 0.247 0.376 0.337 0.000 -0.034 0.000 3/17100 400.0 0.240 0.367 0.328 0.000 -0.033 0.000 3/17100 410.0 0.235 0.358 0.320 0.000 -0.032 0.000 3/17100 420.0 0.229 0.349 0.312 0.000 -0.032 0.000 3/17100 430.0 0.224 0.341 0.305 0.000 -0.031 0.000 3/17100 440.0 0.218 0.333 0.298 0.000 -0.030 0.000 3/17100 450.0 0.214 0.326 0.291 0.000 -0.029 0.000 3/17100 460.0 0.209 0.318 0.285 0.000 -0.029 0.000 3/17100 470.0 0.204 0.312 0.279 0.000 -0.028 0.000 3/17100 480.0 0.200 0.305 0.273 0.000 -0.028 0.000 3/17100 490.0 0.196 0.299 0.268 0.000 -0.027 0.000 3/17100 500.0 0.192 0.293 0.262 0.000 -0.026 0.000 3/17100 510.0 0.188 0.287 0.257 0.000 -0.026 0.000 3/17100 520.0 0.185 0.282 0.252 0.000 -0.025 0.000 3/17100 530.0 0.181 0.276 0.247 0.000 -0.025 0.000 3/17100 540.0 0.178 0.271 0.243 0.000 -0.024 0.000 3/17100 550.0 0.175 0.266 0.238 0.000 -0.024 0.000 3/17100 560.0 0.171 0.262 0.234 0.000 -0.024 0.000 3/17100 570.0 0.168 0.257 0.230 0.000 -0.023 0.000 3/17100 580.0 0.166 0.253 0.226 0.000 -0.023 0.000 3/17100 590.0 0.163 0.248 0.222 0.000 -0.022 0.000 3/17100 600.0 0.160 0.244 0.218 0.000 -0.022 0.000 3/17100 610.0 0.157 0.240 0.215 0.000 -0.022 0.000 3/17100 620.0 0.155 0.236 0.211 0.000 -0.021 0.000 3/17100 630.0 0.152 0.233 0.208 0.000 -0.021 0.000 3/17100 640.0 0.150 0.229 0.205 0.000 -0.021 0.000 3/17100 650.0 0.148 0.225 0.202 0.000 -0.020 0.000 3/17100 660.0 0.145 0.222 0.198 0.000 -0.020 0.000 3/17100 670.0 0.143 0.219 0.196 0.000 -0.020 0.000 3/17100 680.0 0.141 0.215 0.193 0.000 -0.019 0.000 3/17100 690.0 0.139 0.212 0.190 0.000 -0.019 0.000 3/17100 700.0 0.137 0.209 0.187 0.000 -0.019 0.000 3/17100 710.0 0.135 0.206 0.185 0.000 -0.018 0.000 3/17100 720.0 0.133 0.204 0.182 0.000 -0.018 0.000 3/17100 730.0 0.132 0.201 0.179 0.000 -0.018 0.000 3/17100 740.0 0.130 0.198 0.177 0.000 -0.018 0.000 3/17100 750.0 0.128 0.195 0.175 0.000 -0.018 0.000 3/17100 760.0 0.126 0.193 0.172 0.000 -0.017 0.000 3/17100 770.0 0.125 0.190 0.170 0.000 -0.017 0.000 3/17100 780.0 0.123 0.188 0.168 0.000 -0.017 0.000 3/17100 790.0 0.122 0.186 0.166 0.000 -0.017 0.000 3/17100 800.0 0.120 0.183 0.164 0.000 -0.016 0.000 3/17100 810.0 0.119 0.181 0.162 0.000 -0.016 0.000 3/17100 820.0 0.117 0.179 0.160 0.000 -0.016 0.000 3/17100 830.0 0.116 0.177 0.158 0.000 -0.016 0.000 3/17100 840.0 0.114 0.175 0.156 0.000 -0.016 0.000 3/17100 850.0 0.113 0.173 0.154 0.000 -0.015 0.000 3/17100 860.0 0.112 0.171 0.152 0.000 -0.015 0.000 3/17100 870.0 0.110 0.169 0.151 0.000 -0.015 0.000 3/17100 880.0 0.109 0.167 0.149 0.000 -0.015 0.000 3/17100 890.0 0.108 0.165 0.147 0.000 -0.015 0.000 3/17100 900.0 0.107 0.163 0.146 0.000 -0.015 0.000 3/17100 910.0 0.106 0.161 0.144 0.000 -0.014 0.000 3/17100 920.0 0.104 0.159 0.142 0.000 -0.014 0.000 3/17100 930.0 0.103 0.158 0.141 0.000 -0.014 0.000 3/17100 940.0 0.102 0.156 0.139 0.000 -0.014 0.000 3/17100 950.0 0.101 0.154 0.138 0.000 -0.014 0.000 3/17100 960.0 0.100 0.153 0.137 0.000 -0.014 0.000 3/17100 970.0 0.099 0.151 0.135 0.000 -0.014 0.000 3/17100 980.0 0.098 0.150 0.134 0.000 -0.013 0.000 3/17100 990.0 0.097 0.148 0.132 0.000 -0.013 0.000 3/17100 1000.0 0.096 0.147 0.131 0.000 -0.013 0.000 3/17100 Thermal conductivity related properties were written into "kappa-m553.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 02:17:09]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|