----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 21:45:48]------------------------- 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: [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.114202680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.987394530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.748622299999999 Atomic positions (fractional): *1 Mg 0.33416238030664 0.67446838942223 0.00000000000000 24.305 2 Mg 0.66583761969336 0.32553161057777 0.00000000000000 24.305 3 Mg 0.83416238030664 0.82553161057777 0.50000000000000 24.305 4 Mg 0.16583761969336 0.17446838942223 0.50000000000000 24.305 *5 Mg 0.34332883478062 0.82292357653026 0.32393606602242 24.305 6 Mg 0.65667116521938 0.17707642346974 0.32393606602242 24.305 7 Mg 0.84332883478062 0.67707642346974 0.17606393397758 24.305 8 Mg 0.15667116521938 0.32292357653026 0.17606393397758 24.305 9 Mg 0.65667116521938 0.17707642346974 0.67606393397758 24.305 10 Mg 0.34332883478062 0.82292357653026 0.67606393397758 24.305 11 Mg 0.15667116521938 0.32292357653026 0.82393606602242 24.305 12 Mg 0.84332883478062 0.67707642346974 0.82393606602242 24.305 *13 Mg 0.00000000000000 0.00000000000000 0.32214377760152 24.305 14 Mg 0.50000000000000 0.50000000000000 0.17785622239848 24.305 15 Mg 0.00000000000000 0.00000000000000 0.67785622239848 24.305 16 Mg 0.50000000000000 0.50000000000000 0.82214377760152 24.305 *17 Mg 0.00000000000000 0.50000000000000 0.34103704468921 24.305 18 Mg 0.50000000000000 0.00000000000000 0.15896295531078 24.305 19 Mg 0.00000000000000 0.50000000000000 0.65896295531078 24.305 20 Mg 0.50000000000000 0.00000000000000 0.84103704468922 24.305 *21 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 22 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 *23 Si 0.01559728424189 0.87638850387802 0.00000000000000 28.085 24 Si 0.98440271575811 0.12361149612198 0.00000000000000 28.085 25 Si 0.51559728424189 0.62361149612198 0.50000000000000 28.085 26 Si 0.48440271575811 0.37638850387802 0.50000000000000 28.085 *27 H 0.58276435891879 0.81115545165697 0.10049600007171 1.008 28 H 0.41723564108121 0.18884454834303 0.10049600007171 1.008 29 H 0.08276435891879 0.68884454834303 0.39950399992829 1.008 30 H 0.91723564108121 0.31115545165697 0.39950399992829 1.008 31 H 0.41723564108121 0.18884454834303 0.89950399992829 1.008 32 H 0.58276435891879 0.81115545165697 0.89950399992829 1.008 33 H 0.91723564108121 0.31115545165697 0.60049600007171 1.008 34 H 0.08276435891879 0.68884454834303 0.60049600007171 1.008 *35 O 0.16838920305283 0.91412644730938 0.15677240915063 15.999 36 O 0.83161079694717 0.08587355269062 0.15677240915063 15.999 37 O 0.66838920305283 0.58587355269062 0.34322759084937 15.999 38 O 0.33161079694717 0.41412644730938 0.34322759084937 15.999 39 O 0.83161079694717 0.08587355269062 0.84322759084937 15.999 40 O 0.16838920305283 0.91412644730938 0.84322759084937 15.999 41 O 0.33161079694717 0.41412644730938 0.65677240915063 15.999 42 O 0.66838920305283 0.58587355269062 0.65677240915063 15.999 *43 O 0.00931475027980 0.75829724069720 0.00000000000000 15.999 44 O 0.99068524972020 0.24170275930280 0.00000000000000 15.999 45 O 0.50931475027980 0.74170275930280 0.50000000000000 15.999 46 O 0.49068524972020 0.25829724069720 0.50000000000000 15.999 *47 O 0.70466716867175 0.91281668833234 0.00000000000000 15.999 48 O 0.29533283132825 0.08718331166766 0.00000000000000 15.999 49 O 0.20466716867175 0.58718331166766 0.50000000000000 15.999 50 O 0.79533283132825 0.41281668833234 0.50000000000000 15.999 *51 O 0.14532185979894 0.57344580266879 0.14532211529661 15.999 52 O 0.85467814020106 0.42655419733120 0.14532211529661 15.999 53 O 0.64532185979894 0.92655419733121 0.35467788470339 15.999 54 O 0.35467814020106 0.07344580266879 0.35467788470339 15.999 55 O 0.85467814020106 0.42655419733120 0.85467788470339 15.999 56 O 0.14532185979894 0.57344580266879 0.85467788470339 15.999 57 O 0.35467814020106 0.07344580266879 0.64532211529661 15.999 58 O 0.64532185979894 0.92655419733121 0.64532211529661 15.999 *59 O 0.52120963062836 0.75389860715701 0.15775182746683 15.999 60 O 0.47879036937164 0.24610139284299 0.15775182746683 15.999 61 O 0.02120963062836 0.74610139284299 0.34224817253317 15.999 62 O 0.97879036937164 0.25389860715701 0.34224817253317 15.999 63 O 0.47879036937164 0.24610139284299 0.84224817253317 15.999 64 O 0.52120963062836 0.75389860715701 0.84224817253317 15.999 65 O 0.97879036937164 0.25389860715701 0.65775182746683 15.999 66 O 0.02120963062836 0.74610139284299 0.65775182746683 15.999 *67 O 0.30378426993067 0.42085101412327 0.00000000000000 15.999 68 O 0.69621573006933 0.57914898587673 0.00000000000000 15.999 69 O 0.80378426993067 0.07914898587673 0.50000000000000 15.999 70 O 0.19621573006933 0.92085101412327 0.50000000000000 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.114202680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.987394530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.748622299999999 Atomic positions (fractional): *1 Mg 0.33416238030664 0.67446838942223 0.00000000000000 24.305 > 1 2 Mg 0.66583761969336 0.32553161057777 0.00000000000000 24.305 > 2 3 Mg 0.83416238030664 0.82553161057777 0.50000000000000 24.305 > 3 4 Mg 0.16583761969336 0.17446838942223 0.50000000000000 24.305 > 4 *5 Mg 0.34332883478062 0.82292357653026 0.32393606602242 24.305 > 5 6 Mg 0.65667116521938 0.17707642346974 0.32393606602242 24.305 > 6 7 Mg 0.84332883478062 0.67707642346974 0.17606393397758 24.305 > 7 8 Mg 0.15667116521938 0.32292357653026 0.17606393397758 24.305 > 8 9 Mg 0.65667116521938 0.17707642346974 0.67606393397758 24.305 > 9 10 Mg 0.34332883478062 0.82292357653026 0.67606393397758 24.305 > 10 11 Mg 0.15667116521938 0.32292357653026 0.82393606602242 24.305 > 11 12 Mg 0.84332883478062 0.67707642346974 0.82393606602242 24.305 > 12 *13 Mg 0.00000000000000 0.00000000000000 0.32214377760152 24.305 > 13 14 Mg 0.50000000000000 0.50000000000000 0.17785622239848 24.305 > 14 15 Mg 0.00000000000000 0.00000000000000 0.67785622239848 24.305 > 15 16 Mg 0.50000000000000 0.50000000000000 0.82214377760152 24.305 > 16 *17 Mg 0.00000000000000 0.50000000000000 0.34103704468921 24.305 > 17 18 Mg 0.50000000000000 0.00000000000000 0.15896295531078 24.305 > 18 19 Mg 0.00000000000000 0.50000000000000 0.65896295531078 24.305 > 19 20 Mg 0.50000000000000 0.00000000000000 0.84103704468922 24.305 > 20 *21 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 21 22 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 > 22 *23 Si 0.01559728424189 0.87638850387802 0.00000000000000 28.085 > 23 24 Si 0.98440271575811 0.12361149612198 0.00000000000000 28.085 > 24 25 Si 0.51559728424189 0.62361149612198 0.50000000000000 28.085 > 25 26 Si 0.48440271575811 0.37638850387802 0.50000000000000 28.085 > 26 *27 H 0.58276435891879 0.81115545165697 0.10049600007171 1.008 > 27 28 H 0.41723564108121 0.18884454834303 0.10049600007171 1.008 > 28 29 H 0.08276435891879 0.68884454834303 0.39950399992829 1.008 > 29 30 H 0.91723564108121 0.31115545165697 0.39950399992829 1.008 > 30 31 H 0.41723564108121 0.18884454834303 0.89950399992829 1.008 > 31 32 H 0.58276435891879 0.81115545165697 0.89950399992829 1.008 > 32 33 H 0.91723564108121 0.31115545165697 0.60049600007171 1.008 > 33 34 H 0.08276435891879 0.68884454834303 0.60049600007171 1.008 > 34 *35 O 0.16838920305283 0.91412644730938 0.15677240915063 15.999 > 35 36 O 0.83161079694717 0.08587355269062 0.15677240915063 15.999 > 36 37 O 0.66838920305283 0.58587355269062 0.34322759084937 15.999 > 37 38 O 0.33161079694717 0.41412644730938 0.34322759084937 15.999 > 38 39 O 0.83161079694717 0.08587355269062 0.84322759084937 15.999 > 39 40 O 0.16838920305283 0.91412644730938 0.84322759084937 15.999 > 40 41 O 0.33161079694717 0.41412644730938 0.65677240915063 15.999 > 41 42 O 0.66838920305283 0.58587355269062 0.65677240915063 15.999 > 42 *43 O 0.00931475027980 0.75829724069720 0.00000000000000 15.999 > 43 44 O 0.99068524972020 0.24170275930280 0.00000000000000 15.999 > 44 45 O 0.50931475027980 0.74170275930280 0.50000000000000 15.999 > 45 46 O 0.49068524972020 0.25829724069720 0.50000000000000 15.999 > 46 *47 O 0.70466716867175 0.91281668833234 0.00000000000000 15.999 > 47 48 O 0.29533283132825 0.08718331166766 0.00000000000000 15.999 > 48 49 O 0.20466716867175 0.58718331166766 0.50000000000000 15.999 > 49 50 O 0.79533283132825 0.41281668833234 0.50000000000000 15.999 > 50 *51 O 0.14532185979894 0.57344580266879 0.14532211529661 15.999 > 51 52 O 0.85467814020106 0.42655419733120 0.14532211529661 15.999 > 52 53 O 0.64532185979894 0.92655419733121 0.35467788470339 15.999 > 53 54 O 0.35467814020106 0.07344580266879 0.35467788470339 15.999 > 54 55 O 0.85467814020106 0.42655419733120 0.85467788470339 15.999 > 55 56 O 0.14532185979894 0.57344580266879 0.85467788470339 15.999 > 56 57 O 0.35467814020106 0.07344580266879 0.64532211529661 15.999 > 57 58 O 0.64532185979894 0.92655419733121 0.64532211529661 15.999 > 58 *59 O 0.52120963062836 0.75389860715701 0.15775182746683 15.999 > 59 60 O 0.47879036937164 0.24610139284299 0.15775182746683 15.999 > 60 61 O 0.02120963062836 0.74610139284299 0.34224817253317 15.999 > 61 62 O 0.97879036937164 0.25389860715701 0.34224817253317 15.999 > 62 63 O 0.47879036937164 0.24610139284299 0.84224817253317 15.999 > 63 64 O 0.52120963062836 0.75389860715701 0.84224817253317 15.999 > 64 65 O 0.97879036937164 0.25389860715701 0.65775182746683 15.999 > 65 66 O 0.02120963062836 0.74610139284299 0.65775182746683 15.999 > 66 *67 O 0.30378426993067 0.42085101412327 0.00000000000000 15.999 > 67 68 O 0.69621573006933 0.57914898587673 0.00000000000000 15.999 > 68 69 O 0.80378426993067 0.07914898587673 0.50000000000000 15.999 > 69 70 O 0.19621573006933 0.92085101412327 0.50000000000000 15.999 > 70 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.228405360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.987394530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.748622299999999 Atomic positions (fractional): *1 Mg 0.16708119015332 0.67446838942223 0.00000000000000 24.305 > 1 2 Mg 0.66708119015332 0.67446838942223 0.00000000000000 24.305 > 1 3 Mg 0.33291880984668 0.32553161057777 0.00000000000000 24.305 > 2 4 Mg 0.83291880984668 0.32553161057777 0.00000000000000 24.305 > 2 5 Mg 0.41708119015332 0.82553161057777 0.50000000000000 24.305 > 3 6 Mg 0.91708119015332 0.82553161057777 0.50000000000000 24.305 > 3 7 Mg 0.08291880984668 0.17446838942223 0.50000000000000 24.305 > 4 8 Mg 0.58291880984668 0.17446838942223 0.50000000000000 24.305 > 4 *9 Mg 0.17166441739031 0.82292357653026 0.32393606602242 24.305 > 5 10 Mg 0.67166441739031 0.82292357653026 0.32393606602242 24.305 > 5 11 Mg 0.32833558260969 0.17707642346974 0.32393606602242 24.305 > 6 12 Mg 0.82833558260969 0.17707642346974 0.32393606602242 24.305 > 6 13 Mg 0.42166441739031 0.67707642346974 0.17606393397758 24.305 > 7 14 Mg 0.92166441739031 0.67707642346974 0.17606393397758 24.305 > 7 15 Mg 0.07833558260969 0.32292357653026 0.17606393397758 24.305 > 8 16 Mg 0.57833558260969 0.32292357653026 0.17606393397758 24.305 > 8 17 Mg 0.32833558260969 0.17707642346974 0.67606393397758 24.305 > 9 18 Mg 0.82833558260969 0.17707642346974 0.67606393397758 24.305 > 9 19 Mg 0.17166441739031 0.82292357653026 0.67606393397758 24.305 > 10 20 Mg 0.67166441739031 0.82292357653026 0.67606393397758 24.305 > 10 21 Mg 0.07833558260969 0.32292357653026 0.82393606602242 24.305 > 11 22 Mg 0.57833558260969 0.32292357653026 0.82393606602242 24.305 > 11 23 Mg 0.42166441739031 0.67707642346974 0.82393606602242 24.305 > 12 24 Mg 0.92166441739031 0.67707642346974 0.82393606602242 24.305 > 12 *25 Mg 0.00000000000000 0.00000000000000 0.32214377760152 24.305 > 13 26 Mg 0.50000000000000 0.00000000000000 0.32214377760152 24.305 > 13 27 Mg 0.25000000000000 0.50000000000000 0.17785622239848 24.305 > 14 28 Mg 0.75000000000000 0.50000000000000 0.17785622239848 24.305 > 14 29 Mg 0.00000000000000 0.00000000000000 0.67785622239848 24.305 > 15 30 Mg 0.50000000000000 0.00000000000000 0.67785622239848 24.305 > 15 31 Mg 0.25000000000000 0.50000000000000 0.82214377760152 24.305 > 16 32 Mg 0.75000000000000 0.50000000000000 0.82214377760152 24.305 > 16 *33 Mg 0.00000000000000 0.50000000000000 0.34103704468921 24.305 > 17 34 Mg 0.50000000000000 0.50000000000000 0.34103704468921 24.305 > 17 35 Mg 0.25000000000000 0.00000000000000 0.15896295531078 24.305 > 18 36 Mg 0.75000000000000 0.00000000000000 0.15896295531078 24.305 > 18 37 Mg 0.00000000000000 0.50000000000000 0.65896295531078 24.305 > 19 38 Mg 0.50000000000000 0.50000000000000 0.65896295531078 24.305 > 19 39 Mg 0.25000000000000 0.00000000000000 0.84103704468922 24.305 > 20 40 Mg 0.75000000000000 0.00000000000000 0.84103704468922 24.305 > 20 *41 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 21 42 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 21 43 Si 0.25000000000000 0.00000000000000 0.50000000000000 28.085 > 22 44 Si 0.75000000000000 0.00000000000000 0.50000000000000 28.085 > 22 *45 Si 0.00779864212095 0.87638850387802 0.00000000000000 28.085 > 23 46 Si 0.50779864212095 0.87638850387802 0.00000000000000 28.085 > 23 47 Si 0.49220135787905 0.12361149612198 0.00000000000000 28.085 > 24 48 Si 0.99220135787905 0.12361149612198 0.00000000000000 28.085 > 24 49 Si 0.25779864212095 0.62361149612198 0.50000000000000 28.085 > 25 50 Si 0.75779864212095 0.62361149612198 0.50000000000000 28.085 > 25 51 Si 0.24220135787905 0.37638850387802 0.50000000000000 28.085 > 26 52 Si 0.74220135787905 0.37638850387802 0.50000000000000 28.085 > 26 *53 H 0.29138217945940 0.81115545165697 0.10049600007171 1.008 > 27 54 H 0.79138217945940 0.81115545165697 0.10049600007171 1.008 > 27 55 H 0.20861782054060 0.18884454834303 0.10049600007171 1.008 > 28 56 H 0.70861782054060 0.18884454834303 0.10049600007171 1.008 > 28 57 H 0.04138217945940 0.68884454834303 0.39950399992829 1.008 > 29 58 H 0.54138217945940 0.68884454834303 0.39950399992829 1.008 > 29 59 H 0.45861782054060 0.31115545165697 0.39950399992829 1.008 > 30 60 H 0.95861782054060 0.31115545165697 0.39950399992829 1.008 > 30 61 H 0.20861782054060 0.18884454834303 0.89950399992829 1.008 > 31 62 H 0.70861782054060 0.18884454834303 0.89950399992829 1.008 > 31 63 H 0.29138217945940 0.81115545165697 0.89950399992829 1.008 > 32 64 H 0.79138217945940 0.81115545165697 0.89950399992829 1.008 > 32 65 H 0.45861782054060 0.31115545165697 0.60049600007171 1.008 > 33 66 H 0.95861782054060 0.31115545165697 0.60049600007171 1.008 > 33 67 H 0.04138217945940 0.68884454834303 0.60049600007171 1.008 > 34 68 H 0.54138217945940 0.68884454834303 0.60049600007171 1.008 > 34 *69 O 0.08419460152641 0.91412644730938 0.15677240915063 15.999 > 35 70 O 0.58419460152641 0.91412644730938 0.15677240915063 15.999 > 35 71 O 0.41580539847359 0.08587355269062 0.15677240915063 15.999 > 36 72 O 0.91580539847359 0.08587355269062 0.15677240915063 15.999 > 36 73 O 0.33419460152641 0.58587355269062 0.34322759084937 15.999 > 37 74 O 0.83419460152641 0.58587355269062 0.34322759084937 15.999 > 37 75 O 0.16580539847359 0.41412644730938 0.34322759084937 15.999 > 38 76 O 0.66580539847359 0.41412644730938 0.34322759084937 15.999 > 38 77 O 0.41580539847359 0.08587355269062 0.84322759084937 15.999 > 39 78 O 0.91580539847359 0.08587355269062 0.84322759084937 15.999 > 39 79 O 0.08419460152641 0.91412644730938 0.84322759084937 15.999 > 40 80 O 0.58419460152641 0.91412644730938 0.84322759084937 15.999 > 40 81 O 0.16580539847359 0.41412644730938 0.65677240915063 15.999 > 41 82 O 0.66580539847359 0.41412644730938 0.65677240915063 15.999 > 41 83 O 0.33419460152641 0.58587355269062 0.65677240915063 15.999 > 42 84 O 0.83419460152641 0.58587355269062 0.65677240915063 15.999 > 42 *85 O 0.00465737513990 0.75829724069720 0.00000000000000 15.999 > 43 86 O 0.50465737513990 0.75829724069720 0.00000000000000 15.999 > 43 87 O 0.49534262486010 0.24170275930280 0.00000000000000 15.999 > 44 88 O 0.99534262486010 0.24170275930280 0.00000000000000 15.999 > 44 89 O 0.25465737513990 0.74170275930280 0.50000000000000 15.999 > 45 90 O 0.75465737513990 0.74170275930280 0.50000000000000 15.999 > 45 91 O 0.24534262486010 0.25829724069720 0.50000000000000 15.999 > 46 92 O 0.74534262486010 0.25829724069720 0.50000000000000 15.999 > 46 *93 O 0.35233358433587 0.91281668833234 0.00000000000000 15.999 > 47 94 O 0.85233358433587 0.91281668833234 0.00000000000000 15.999 > 47 95 O 0.14766641566413 0.08718331166766 0.00000000000000 15.999 > 48 96 O 0.64766641566413 0.08718331166766 0.00000000000000 15.999 > 48 97 O 0.10233358433587 0.58718331166766 0.50000000000000 15.999 > 49 98 O 0.60233358433587 0.58718331166766 0.50000000000000 15.999 > 49 99 O 0.39766641566413 0.41281668833234 0.50000000000000 15.999 > 50 100 O 0.89766641566413 0.41281668833234 0.50000000000000 15.999 > 50 *101 O 0.07266092989947 0.57344580266879 0.14532211529661 15.999 > 51 102 O 0.57266092989947 0.57344580266879 0.14532211529661 15.999 > 51 103 O 0.42733907010053 0.42655419733120 0.14532211529661 15.999 > 52 104 O 0.92733907010053 0.42655419733120 0.14532211529661 15.999 > 52 105 O 0.32266092989947 0.92655419733121 0.35467788470339 15.999 > 53 106 O 0.82266092989947 0.92655419733121 0.35467788470339 15.999 > 53 107 O 0.17733907010053 0.07344580266879 0.35467788470339 15.999 > 54 108 O 0.67733907010053 0.07344580266879 0.35467788470339 15.999 > 54 109 O 0.42733907010053 0.42655419733120 0.85467788470339 15.999 > 55 110 O 0.92733907010053 0.42655419733120 0.85467788470339 15.999 > 55 111 O 0.07266092989947 0.57344580266879 0.85467788470339 15.999 > 56 112 O 0.57266092989947 0.57344580266879 0.85467788470339 15.999 > 56 113 O 0.17733907010053 0.07344580266879 0.64532211529661 15.999 > 57 114 O 0.67733907010053 0.07344580266879 0.64532211529661 15.999 > 57 115 O 0.32266092989947 0.92655419733121 0.64532211529661 15.999 > 58 116 O 0.82266092989947 0.92655419733121 0.64532211529661 15.999 > 58 *117 O 0.26060481531418 0.75389860715701 0.15775182746683 15.999 > 59 118 O 0.76060481531418 0.75389860715701 0.15775182746683 15.999 > 59 119 O 0.23939518468582 0.24610139284299 0.15775182746683 15.999 > 60 120 O 0.73939518468582 0.24610139284299 0.15775182746683 15.999 > 60 121 O 0.01060481531418 0.74610139284299 0.34224817253317 15.999 > 61 122 O 0.51060481531418 0.74610139284299 0.34224817253317 15.999 > 61 123 O 0.48939518468582 0.25389860715701 0.34224817253317 15.999 > 62 124 O 0.98939518468582 0.25389860715701 0.34224817253317 15.999 > 62 125 O 0.23939518468582 0.24610139284299 0.84224817253317 15.999 > 63 126 O 0.73939518468582 0.24610139284299 0.84224817253317 15.999 > 63 127 O 0.26060481531418 0.75389860715701 0.84224817253317 15.999 > 64 128 O 0.76060481531418 0.75389860715701 0.84224817253317 15.999 > 64 129 O 0.48939518468582 0.25389860715701 0.65775182746683 15.999 > 65 130 O 0.98939518468582 0.25389860715701 0.65775182746683 15.999 > 65 131 O 0.01060481531418 0.74610139284299 0.65775182746683 15.999 > 66 132 O 0.51060481531418 0.74610139284299 0.65775182746683 15.999 > 66 *133 O 0.15189213496533 0.42085101412327 0.00000000000000 15.999 > 67 134 O 0.65189213496533 0.42085101412327 0.00000000000000 15.999 > 67 135 O 0.34810786503467 0.57914898587673 0.00000000000000 15.999 > 68 136 O 0.84810786503467 0.57914898587673 0.00000000000000 15.999 > 68 137 O 0.40189213496533 0.07914898587673 0.50000000000000 15.999 > 69 138 O 0.90189213496533 0.07914898587673 0.50000000000000 15.999 > 69 139 O 0.09810786503467 0.92085101412327 0.50000000000000 15.999 > 70 140 O 0.59810786503467 0.92085101412327 0.50000000000000 15.999 > 70 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0338486 0.0000000 0.0000000 0.0000000 3.0473061 0.0000000 0.0000000 0.0000000 3.0170076 -------------------------- Born effective charges -------------------------- 1 Mg 2.1606193 0.0596219 0.0000000 -0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 2 Mg 2.1606193 0.0596219 0.0000000 -0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 3 Mg 2.1606193 -0.0596219 0.0000000 0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 4 Mg 2.1606193 -0.0596219 0.0000000 0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 5 Mg 1.8709914 -0.0485340 0.0582469 0.0245420 2.0914128 -0.0424690 0.0566703 -0.0156195 2.1001438 6 Mg 1.8709914 -0.0485340 -0.0582469 0.0245420 2.0914128 0.0424690 -0.0566703 0.0156195 2.1001438 7 Mg 1.8709914 0.0485340 -0.0582469 -0.0245420 2.0914128 -0.0424690 -0.0566703 -0.0156195 2.1001438 8 Mg 1.8709914 0.0485340 0.0582469 -0.0245420 2.0914128 0.0424690 0.0566703 0.0156195 2.1001438 9 Mg 1.8709914 -0.0485340 0.0582469 0.0245420 2.0914128 -0.0424690 0.0566703 -0.0156195 2.1001438 10 Mg 1.8709914 -0.0485340 -0.0582469 0.0245420 2.0914128 0.0424690 -0.0566703 0.0156195 2.1001438 11 Mg 1.8709914 0.0485340 -0.0582469 -0.0245420 2.0914128 -0.0424690 -0.0566703 -0.0156195 2.1001438 12 Mg 1.8709914 0.0485340 0.0582469 -0.0245420 2.0914128 0.0424690 0.0566703 0.0156195 2.1001438 13 Mg 2.1366073 -0.0460608 0.0000000 -0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 14 Mg 2.1366073 0.0460608 0.0000000 0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 15 Mg 2.1366073 -0.0460608 0.0000000 -0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 16 Mg 2.1366073 0.0460608 0.0000000 0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 17 Mg 2.1145693 0.0251139 0.0000000 0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 18 Mg 2.1145693 -0.0251139 0.0000000 -0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 19 Mg 2.1145693 0.0251139 0.0000000 0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 20 Mg 2.1145693 -0.0251139 0.0000000 -0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 21 Si 3.6427259 -0.1403397 0.0000000 -0.1768286 3.3603773 0.0000000 0.0000000 0.0000000 3.3450423 22 Si 3.6427259 0.1403397 0.0000000 0.1768286 3.3603773 0.0000000 0.0000000 0.0000000 3.3450423 23 Si 3.1767397 -0.0053989 0.0000000 0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 24 Si 3.1767397 -0.0053989 0.0000000 0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 25 Si 3.1767397 0.0053989 0.0000000 -0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 26 Si 3.1767397 0.0053989 0.0000000 -0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 27 H 0.4759640 0.2184760 -0.1768382 0.1823720 0.7591661 -0.2464105 -0.1433142 -0.2475929 0.5269665 28 H 0.4759640 0.2184760 0.1768382 0.1823720 0.7591661 0.2464105 0.1433142 0.2475929 0.5269665 29 H 0.4759640 -0.2184760 0.1768382 -0.1823720 0.7591661 -0.2464105 0.1433142 -0.2475929 0.5269665 30 H 0.4759640 -0.2184760 -0.1768382 -0.1823720 0.7591661 0.2464105 -0.1433142 0.2475929 0.5269665 31 H 0.4759640 0.2184760 -0.1768382 0.1823720 0.7591661 -0.2464105 -0.1433142 -0.2475929 0.5269665 32 H 0.4759640 0.2184760 0.1768382 0.1823720 0.7591661 0.2464105 0.1433142 0.2475929 0.5269665 33 H 0.4759640 -0.2184760 0.1768382 -0.1823720 0.7591661 -0.2464105 0.1433142 -0.2475929 0.5269665 34 H 0.4759640 -0.2184760 -0.1768382 -0.1823720 0.7591661 0.2464105 -0.1433142 0.2475929 0.5269665 35 O -1.7326165 -0.0840059 -0.3888533 -0.1466804 -1.6217463 -0.2581627 -0.3776471 -0.2352919 -2.1740074 36 O -1.7326165 -0.0840059 0.3888533 -0.1466804 -1.6217463 0.2581627 0.3776471 0.2352919 -2.1740074 37 O -1.7326165 0.0840059 0.3888533 0.1466804 -1.6217463 -0.2581627 0.3776471 -0.2352919 -2.1740074 38 O -1.7326165 0.0840059 -0.3888533 0.1466804 -1.6217463 0.2581627 -0.3776471 0.2352919 -2.1740074 39 O -1.7326165 -0.0840059 -0.3888533 -0.1466804 -1.6217463 -0.2581627 -0.3776471 -0.2352919 -2.1740074 40 O -1.7326165 -0.0840059 0.3888533 -0.1466804 -1.6217463 0.2581627 0.3776471 0.2352919 -2.1740074 41 O -1.7326165 0.0840059 0.3888533 0.1466804 -1.6217463 -0.2581627 0.3776471 -0.2352919 -2.1740074 42 O -1.7326165 0.0840059 -0.3888533 0.1466804 -1.6217463 0.2581627 -0.3776471 0.2352919 -2.1740074 43 O -1.5549629 -0.0028860 0.0000000 0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 44 O -1.5549629 -0.0028860 0.0000000 0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 45 O -1.5549629 0.0028860 0.0000000 -0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 46 O -1.5549629 0.0028860 0.0000000 -0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 47 O -2.2255718 0.1275498 0.0000000 0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 48 O -2.2255718 0.1275498 0.0000000 0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 49 O -2.2255718 -0.1275498 0.0000000 -0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 50 O -2.2255718 -0.1275498 0.0000000 -0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 51 O -1.8677559 -0.0729140 -0.0938359 -0.0331302 -1.8365466 -0.1309092 -0.0840403 -0.1283575 -1.9506181 52 O -1.8677559 -0.0729140 0.0938359 -0.0331302 -1.8365466 0.1309092 0.0840403 0.1283575 -1.9506181 53 O -1.8677559 0.0729140 0.0938359 0.0331302 -1.8365466 -0.1309092 0.0840403 -0.1283575 -1.9506181 54 O -1.8677559 0.0729140 -0.0938359 0.0331302 -1.8365466 0.1309092 -0.0840403 0.1283575 -1.9506181 55 O -1.8677559 -0.0729140 -0.0938359 -0.0331302 -1.8365466 -0.1309092 -0.0840403 -0.1283575 -1.9506181 56 O -1.8677559 -0.0729140 0.0938359 -0.0331302 -1.8365466 0.1309092 0.0840403 0.1283575 -1.9506181 57 O -1.8677559 0.0729140 0.0938359 0.0331302 -1.8365466 -0.1309092 0.0840403 -0.1283575 -1.9506181 58 O -1.8677559 0.0729140 -0.0938359 0.0331302 -1.8365466 0.1309092 -0.0840403 0.1283575 -1.9506181 59 O -1.4409049 -0.0350989 0.1120511 -0.0089503 -1.6357000 0.0558451 0.0625792 0.0410223 -1.5033372 60 O -1.4409049 -0.0350989 -0.1120511 -0.0089503 -1.6357000 -0.0558451 -0.0625792 -0.0410223 -1.5033372 61 O -1.4409049 0.0350989 -0.1120511 0.0089503 -1.6357000 0.0558451 -0.0625792 0.0410223 -1.5033372 62 O -1.4409049 0.0350989 0.1120511 0.0089503 -1.6357000 -0.0558451 0.0625792 -0.0410223 -1.5033372 63 O -1.4409049 -0.0350989 0.1120511 -0.0089503 -1.6357000 0.0558451 0.0625792 0.0410223 -1.5033372 64 O -1.4409049 -0.0350989 -0.1120511 -0.0089503 -1.6357000 -0.0558451 -0.0625792 -0.0410223 -1.5033372 65 O -1.4409049 0.0350989 -0.1120511 0.0089503 -1.6357000 0.0558451 -0.0625792 0.0410223 -1.5033372 66 O -1.4409049 0.0350989 0.1120511 0.0089503 -1.6357000 -0.0558451 0.0625792 -0.0410223 -1.5033372 67 O -2.2407202 0.2623621 0.0000000 0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 68 O -2.2407202 0.2623621 0.0000000 0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 69 O -2.2407202 -0.2623621 0.0000000 -0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 70 O -2.2407202 -0.2623621 0.0000000 -0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 ---------------------------------------------------------------------------- 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: 420/420 Permutation basis: 44310/44310 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5739 Number of blocks in projector: 5739 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: 1359 Use submatrix version of eigh solver. (1) Block: 500 / 1359 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1359 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1359 / 1359 (1) 341 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 242 eigenvectors found. (2) Block: 592 / 592 (2) 83 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 242 eigenvectors found. (2) Block: 592 / 592 (2) 88 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 222 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 222 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 222 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5739, 5654), data: False |-- (732, 719), data: False |-- (732, 10), data: (732, 23) @ (23, 10) |-- (232, 222), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 10), data: (732, 23) @ (23, 10) |-- (232, 222), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 10), data: (732, 23) @ (23, 10) |-- (232, 222), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 12), data: (592, 22) @ (22, 12) |-- (92, 88), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 17), data: (592, 27) @ (27, 17) |-- (92, 83), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1359, 1333), data: False |-- (1359, 42), data: (1359, 68) @ (68, 42) |-- (359, 341), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 226), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 14), data: (500, 40) @ (40, 14) |-- (250, 226), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 140 / 140 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 1120 - Time: 1.665 Solver_block: 200 / 1120 - Time: 1.482 Solver_block: 300 / 1120 - Time: 1.482 Solver_block: 400 / 1120 - Time: 1.482 Solver_block: 500 / 1120 - Time: 1.480 Solver_block: 600 / 1120 - Time: 1.484 Solver_block: 700 / 1120 - Time: 1.482 Solver_block: 800 / 1120 - Time: 1.478 Solver_block: 900 / 1120 - Time: 1.485 Solver_block: 1000 / 1120 - Time: 1.488 Solver_block: 1100 / 1120 - Time: 1.483 Solver_block: 1120 / 1120 - Time: 0.471 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 17.435 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 420/420 Permutation basis: 44310/44310 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5739 Number of blocks in projector: 5739 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: 1359 Use submatrix version of eigh solver. (1) Block: 500 / 1359 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 40 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 474 eigenvectors found. (1) Block: 1000 / 1359 (2) Block: 250 / 500 (2) 228 eigenvectors found. (2) Block: 500 / 500 (2) 226 eigenvectors found. (2) Complementary block size: 46 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 476 eigenvectors found. (1) Block: 1359 / 1359 (1) 341 eigenvectors found. (1) Complementary block size: 68 (1) Compute compressed projector. (1) Use standard solver. (1) 42 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 242 eigenvectors found. (2) Block: 592 / 592 (2) 83 eigenvectors found. (2) Complementary block size: 27 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1092 Use submatrix version of eigh solver. (1) Block: 500 / 1092 (2) Block: 250 / 500 (2) 240 eigenvectors found. (2) Block: 500 / 500 (2) 240 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 490 eigenvectors found. (1) Block: 1092 / 1092 (2) Block: 250 / 592 (2) 240 eigenvectors found. (2) Block: 500 / 592 (2) 242 eigenvectors found. (2) Block: 592 / 592 (2) 88 eigenvectors found. (2) Complementary block size: 22 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 582 eigenvectors found. (1) Complementary block size: 20 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 222 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 222 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 732 Use submatrix version of eigh solver. (1) Block: 500 / 732 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 487 eigenvectors found. (1) Block: 732 / 732 (1) 222 eigenvectors found. (1) Complementary block size: 23 (1) Compute compressed projector. (1) Use standard solver. (1) 10 eigenvectors found. Tree of FC basis block matrices: - (5739, 5654), data: False |-- (732, 719), data: False |-- (732, 10), data: (732, 23) @ (23, 10) |-- (232, 222), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 10), data: (732, 23) @ (23, 10) |-- (232, 222), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (732, 719), data: False |-- (732, 10), data: (732, 23) @ (23, 10) |-- (232, 222), data: True |-- (500, 487), data: False |-- (500, 13), data: (500, 26) @ (26, 13) |-- (250, 237), data: True |-- (250, 237), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 12), data: (592, 22) @ (22, 12) |-- (92, 88), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1092, 1082), data: False |-- (1092, 10), data: (1092, 20) @ (20, 10) |-- (592, 582), data: False |-- (592, 17), data: (592, 27) @ (27, 17) |-- (92, 83), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (500, 490), data: False |-- (500, 10), data: (500, 20) @ (20, 10) |-- (250, 240), data: True |-- (250, 240), data: True |-- (1359, 1333), data: False |-- (1359, 42), data: (1359, 68) @ (68, 42) |-- (359, 341), data: True |-- (500, 476), data: False |-- (500, 22), data: (500, 46) @ (46, 22) |-- (250, 226), data: True |-- (250, 228), data: True |-- (500, 474), data: False |-- (500, 14), data: (500, 40) @ (40, 14) |-- (250, 226), data: True |-- (250, 234), 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 21:47:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:47:07]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.114202680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.987394530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.748622299999999 Atomic positions (fractional): 1 Mg 0.33416238030664 0.67446838942223 0.00000000000000 24.305 2 Mg 0.66583761969336 0.32553161057777 0.00000000000000 24.305 3 Mg 0.83416238030664 0.82553161057777 0.50000000000000 24.305 4 Mg 0.16583761969336 0.17446838942223 0.50000000000000 24.305 5 Mg 0.34332883478062 0.82292357653026 0.32393606602242 24.305 6 Mg 0.65667116521938 0.17707642346974 0.32393606602242 24.305 7 Mg 0.84332883478062 0.67707642346974 0.17606393397758 24.305 8 Mg 0.15667116521938 0.32292357653026 0.17606393397758 24.305 9 Mg 0.65667116521938 0.17707642346974 0.67606393397758 24.305 10 Mg 0.34332883478062 0.82292357653026 0.67606393397758 24.305 11 Mg 0.15667116521938 0.32292357653026 0.82393606602242 24.305 12 Mg 0.84332883478062 0.67707642346974 0.82393606602242 24.305 13 Mg 0.00000000000000 0.00000000000000 0.32214377760152 24.305 14 Mg 0.50000000000000 0.50000000000000 0.17785622239848 24.305 15 Mg 0.00000000000000 0.00000000000000 0.67785622239848 24.305 16 Mg 0.50000000000000 0.50000000000000 0.82214377760152 24.305 17 Mg 0.00000000000000 0.50000000000000 0.34103704468921 24.305 18 Mg 0.50000000000000 0.00000000000000 0.15896295531078 24.305 19 Mg 0.00000000000000 0.50000000000000 0.65896295531078 24.305 20 Mg 0.50000000000000 0.00000000000000 0.84103704468922 24.305 21 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 22 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 23 Si 0.01559728424189 0.87638850387802 0.00000000000000 28.085 24 Si 0.98440271575811 0.12361149612198 0.00000000000000 28.085 25 Si 0.51559728424189 0.62361149612198 0.50000000000000 28.085 26 Si 0.48440271575811 0.37638850387802 0.50000000000000 28.085 27 H 0.58276435891879 0.81115545165697 0.10049600007171 1.008 28 H 0.41723564108121 0.18884454834303 0.10049600007171 1.008 29 H 0.08276435891879 0.68884454834303 0.39950399992829 1.008 30 H 0.91723564108121 0.31115545165697 0.39950399992829 1.008 31 H 0.41723564108121 0.18884454834303 0.89950399992829 1.008 32 H 0.58276435891879 0.81115545165697 0.89950399992829 1.008 33 H 0.91723564108121 0.31115545165697 0.60049600007171 1.008 34 H 0.08276435891879 0.68884454834303 0.60049600007171 1.008 35 O 0.16838920305283 0.91412644730938 0.15677240915063 15.999 36 O 0.83161079694717 0.08587355269062 0.15677240915063 15.999 37 O 0.66838920305283 0.58587355269062 0.34322759084937 15.999 38 O 0.33161079694717 0.41412644730938 0.34322759084937 15.999 39 O 0.83161079694717 0.08587355269062 0.84322759084937 15.999 40 O 0.16838920305283 0.91412644730938 0.84322759084937 15.999 41 O 0.33161079694717 0.41412644730938 0.65677240915063 15.999 42 O 0.66838920305283 0.58587355269062 0.65677240915063 15.999 43 O 0.00931475027980 0.75829724069720 0.00000000000000 15.999 44 O 0.99068524972020 0.24170275930280 0.00000000000000 15.999 45 O 0.50931475027980 0.74170275930280 0.50000000000000 15.999 46 O 0.49068524972020 0.25829724069720 0.50000000000000 15.999 47 O 0.70466716867175 0.91281668833234 0.00000000000000 15.999 48 O 0.29533283132825 0.08718331166766 0.00000000000000 15.999 49 O 0.20466716867175 0.58718331166766 0.50000000000000 15.999 50 O 0.79533283132825 0.41281668833234 0.50000000000000 15.999 51 O 0.14532185979894 0.57344580266879 0.14532211529661 15.999 52 O 0.85467814020106 0.42655419733120 0.14532211529661 15.999 53 O 0.64532185979894 0.92655419733121 0.35467788470339 15.999 54 O 0.35467814020106 0.07344580266879 0.35467788470339 15.999 55 O 0.85467814020106 0.42655419733120 0.85467788470339 15.999 56 O 0.14532185979894 0.57344580266879 0.85467788470339 15.999 57 O 0.35467814020106 0.07344580266879 0.64532211529661 15.999 58 O 0.64532185979894 0.92655419733121 0.64532211529661 15.999 59 O 0.52120963062836 0.75389860715701 0.15775182746683 15.999 60 O 0.47879036937164 0.24610139284299 0.15775182746683 15.999 61 O 0.02120963062836 0.74610139284299 0.34224817253317 15.999 62 O 0.97879036937164 0.25389860715701 0.34224817253317 15.999 63 O 0.47879036937164 0.24610139284299 0.84224817253317 15.999 64 O 0.52120963062836 0.75389860715701 0.84224817253317 15.999 65 O 0.97879036937164 0.25389860715701 0.65775182746683 15.999 66 O 0.02120963062836 0.74610139284299 0.65775182746683 15.999 67 O 0.30378426993067 0.42085101412327 0.00000000000000 15.999 68 O 0.69621573006933 0.57914898587673 0.00000000000000 15.999 69 O 0.80378426993067 0.07914898587673 0.50000000000000 15.999 70 O 0.19621573006933 0.92085101412327 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.228405360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.987394530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.748622299999999 Atomic positions (fractional): 1 Mg 0.16708119015332 0.67446838942223 0.00000000000000 24.305 > 1 2 Mg 0.66708119015332 0.67446838942223 0.00000000000000 24.305 > 1 3 Mg 0.33291880984668 0.32553161057777 0.00000000000000 24.305 > 3 4 Mg 0.83291880984668 0.32553161057777 0.00000000000000 24.305 > 3 5 Mg 0.41708119015332 0.82553161057777 0.50000000000000 24.305 > 5 6 Mg 0.91708119015332 0.82553161057777 0.50000000000000 24.305 > 5 7 Mg 0.08291880984668 0.17446838942223 0.50000000000000 24.305 > 7 8 Mg 0.58291880984668 0.17446838942223 0.50000000000000 24.305 > 7 9 Mg 0.17166441739031 0.82292357653026 0.32393606602242 24.305 > 9 10 Mg 0.67166441739031 0.82292357653026 0.32393606602242 24.305 > 9 11 Mg 0.32833558260969 0.17707642346974 0.32393606602242 24.305 > 11 12 Mg 0.82833558260969 0.17707642346974 0.32393606602242 24.305 > 11 13 Mg 0.42166441739031 0.67707642346974 0.17606393397758 24.305 > 13 14 Mg 0.92166441739031 0.67707642346974 0.17606393397758 24.305 > 13 15 Mg 0.07833558260969 0.32292357653026 0.17606393397758 24.305 > 15 16 Mg 0.57833558260969 0.32292357653026 0.17606393397758 24.305 > 15 17 Mg 0.32833558260969 0.17707642346974 0.67606393397758 24.305 > 17 18 Mg 0.82833558260969 0.17707642346974 0.67606393397758 24.305 > 17 19 Mg 0.17166441739031 0.82292357653026 0.67606393397758 24.305 > 19 20 Mg 0.67166441739031 0.82292357653026 0.67606393397758 24.305 > 19 21 Mg 0.07833558260969 0.32292357653026 0.82393606602242 24.305 > 21 22 Mg 0.57833558260969 0.32292357653026 0.82393606602242 24.305 > 21 23 Mg 0.42166441739031 0.67707642346974 0.82393606602242 24.305 > 23 24 Mg 0.92166441739031 0.67707642346974 0.82393606602242 24.305 > 23 25 Mg 0.00000000000000 0.00000000000000 0.32214377760152 24.305 > 25 26 Mg 0.50000000000000 0.00000000000000 0.32214377760152 24.305 > 25 27 Mg 0.25000000000000 0.50000000000000 0.17785622239848 24.305 > 27 28 Mg 0.75000000000000 0.50000000000000 0.17785622239848 24.305 > 27 29 Mg 0.00000000000000 0.00000000000000 0.67785622239848 24.305 > 29 30 Mg 0.50000000000000 0.00000000000000 0.67785622239848 24.305 > 29 31 Mg 0.25000000000000 0.50000000000000 0.82214377760152 24.305 > 31 32 Mg 0.75000000000000 0.50000000000000 0.82214377760152 24.305 > 31 33 Mg 0.00000000000000 0.50000000000000 0.34103704468921 24.305 > 33 34 Mg 0.50000000000000 0.50000000000000 0.34103704468921 24.305 > 33 35 Mg 0.25000000000000 0.00000000000000 0.15896295531078 24.305 > 35 36 Mg 0.75000000000000 0.00000000000000 0.15896295531078 24.305 > 35 37 Mg 0.00000000000000 0.50000000000000 0.65896295531078 24.305 > 37 38 Mg 0.50000000000000 0.50000000000000 0.65896295531078 24.305 > 37 39 Mg 0.25000000000000 0.00000000000000 0.84103704468922 24.305 > 39 40 Mg 0.75000000000000 0.00000000000000 0.84103704468922 24.305 > 39 41 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 41 42 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 41 43 Si 0.25000000000000 0.00000000000000 0.50000000000000 28.085 > 43 44 Si 0.75000000000000 0.00000000000000 0.50000000000000 28.085 > 43 45 Si 0.00779864212095 0.87638850387802 0.00000000000000 28.085 > 45 46 Si 0.50779864212095 0.87638850387802 0.00000000000000 28.085 > 45 47 Si 0.49220135787905 0.12361149612198 0.00000000000000 28.085 > 47 48 Si 0.99220135787905 0.12361149612198 0.00000000000000 28.085 > 47 49 Si 0.25779864212095 0.62361149612198 0.50000000000000 28.085 > 49 50 Si 0.75779864212095 0.62361149612198 0.50000000000000 28.085 > 49 51 Si 0.24220135787905 0.37638850387802 0.50000000000000 28.085 > 51 52 Si 0.74220135787905 0.37638850387802 0.50000000000000 28.085 > 51 53 H 0.29138217945940 0.81115545165697 0.10049600007171 1.008 > 53 54 H 0.79138217945940 0.81115545165697 0.10049600007171 1.008 > 53 55 H 0.20861782054060 0.18884454834303 0.10049600007171 1.008 > 55 56 H 0.70861782054060 0.18884454834303 0.10049600007171 1.008 > 55 57 H 0.04138217945940 0.68884454834303 0.39950399992829 1.008 > 57 58 H 0.54138217945940 0.68884454834303 0.39950399992829 1.008 > 57 59 H 0.45861782054060 0.31115545165697 0.39950399992829 1.008 > 59 60 H 0.95861782054060 0.31115545165697 0.39950399992829 1.008 > 59 61 H 0.20861782054060 0.18884454834303 0.89950399992829 1.008 > 61 62 H 0.70861782054060 0.18884454834303 0.89950399992829 1.008 > 61 63 H 0.29138217945940 0.81115545165697 0.89950399992829 1.008 > 63 64 H 0.79138217945940 0.81115545165697 0.89950399992829 1.008 > 63 65 H 0.45861782054060 0.31115545165697 0.60049600007171 1.008 > 65 66 H 0.95861782054060 0.31115545165697 0.60049600007171 1.008 > 65 67 H 0.04138217945940 0.68884454834303 0.60049600007171 1.008 > 67 68 H 0.54138217945940 0.68884454834303 0.60049600007171 1.008 > 67 69 O 0.08419460152641 0.91412644730938 0.15677240915063 15.999 > 69 70 O 0.58419460152641 0.91412644730938 0.15677240915063 15.999 > 69 71 O 0.41580539847359 0.08587355269062 0.15677240915063 15.999 > 71 72 O 0.91580539847359 0.08587355269062 0.15677240915063 15.999 > 71 73 O 0.33419460152641 0.58587355269062 0.34322759084937 15.999 > 73 74 O 0.83419460152641 0.58587355269062 0.34322759084937 15.999 > 73 75 O 0.16580539847359 0.41412644730938 0.34322759084937 15.999 > 75 76 O 0.66580539847359 0.41412644730938 0.34322759084937 15.999 > 75 77 O 0.41580539847359 0.08587355269062 0.84322759084937 15.999 > 77 78 O 0.91580539847359 0.08587355269062 0.84322759084937 15.999 > 77 79 O 0.08419460152641 0.91412644730938 0.84322759084937 15.999 > 79 80 O 0.58419460152641 0.91412644730938 0.84322759084937 15.999 > 79 81 O 0.16580539847359 0.41412644730938 0.65677240915063 15.999 > 81 82 O 0.66580539847359 0.41412644730938 0.65677240915063 15.999 > 81 83 O 0.33419460152641 0.58587355269062 0.65677240915063 15.999 > 83 84 O 0.83419460152641 0.58587355269062 0.65677240915063 15.999 > 83 85 O 0.00465737513990 0.75829724069720 0.00000000000000 15.999 > 85 86 O 0.50465737513990 0.75829724069720 0.00000000000000 15.999 > 85 87 O 0.49534262486010 0.24170275930280 0.00000000000000 15.999 > 87 88 O 0.99534262486010 0.24170275930280 0.00000000000000 15.999 > 87 89 O 0.25465737513990 0.74170275930280 0.50000000000000 15.999 > 89 90 O 0.75465737513990 0.74170275930280 0.50000000000000 15.999 > 89 91 O 0.24534262486010 0.25829724069720 0.50000000000000 15.999 > 91 92 O 0.74534262486010 0.25829724069720 0.50000000000000 15.999 > 91 93 O 0.35233358433587 0.91281668833234 0.00000000000000 15.999 > 93 94 O 0.85233358433587 0.91281668833234 0.00000000000000 15.999 > 93 95 O 0.14766641566413 0.08718331166766 0.00000000000000 15.999 > 95 96 O 0.64766641566413 0.08718331166766 0.00000000000000 15.999 > 95 97 O 0.10233358433587 0.58718331166766 0.50000000000000 15.999 > 97 98 O 0.60233358433587 0.58718331166766 0.50000000000000 15.999 > 97 99 O 0.39766641566413 0.41281668833234 0.50000000000000 15.999 > 99 100 O 0.89766641566413 0.41281668833234 0.50000000000000 15.999 > 99 101 O 0.07266092989947 0.57344580266879 0.14532211529661 15.999 > 101 102 O 0.57266092989947 0.57344580266879 0.14532211529661 15.999 > 101 103 O 0.42733907010053 0.42655419733120 0.14532211529661 15.999 > 103 104 O 0.92733907010053 0.42655419733120 0.14532211529661 15.999 > 103 105 O 0.32266092989947 0.92655419733121 0.35467788470339 15.999 > 105 106 O 0.82266092989947 0.92655419733121 0.35467788470339 15.999 > 105 107 O 0.17733907010053 0.07344580266879 0.35467788470339 15.999 > 107 108 O 0.67733907010053 0.07344580266879 0.35467788470339 15.999 > 107 109 O 0.42733907010053 0.42655419733120 0.85467788470339 15.999 > 109 110 O 0.92733907010053 0.42655419733120 0.85467788470339 15.999 > 109 111 O 0.07266092989947 0.57344580266879 0.85467788470339 15.999 > 111 112 O 0.57266092989947 0.57344580266879 0.85467788470339 15.999 > 111 113 O 0.17733907010053 0.07344580266879 0.64532211529661 15.999 > 113 114 O 0.67733907010053 0.07344580266879 0.64532211529661 15.999 > 113 115 O 0.32266092989947 0.92655419733121 0.64532211529661 15.999 > 115 116 O 0.82266092989947 0.92655419733121 0.64532211529661 15.999 > 115 117 O 0.26060481531418 0.75389860715701 0.15775182746683 15.999 > 117 118 O 0.76060481531418 0.75389860715701 0.15775182746683 15.999 > 117 119 O 0.23939518468582 0.24610139284299 0.15775182746683 15.999 > 119 120 O 0.73939518468582 0.24610139284299 0.15775182746683 15.999 > 119 121 O 0.01060481531418 0.74610139284299 0.34224817253317 15.999 > 121 122 O 0.51060481531418 0.74610139284299 0.34224817253317 15.999 > 121 123 O 0.48939518468582 0.25389860715701 0.34224817253317 15.999 > 123 124 O 0.98939518468582 0.25389860715701 0.34224817253317 15.999 > 123 125 O 0.23939518468582 0.24610139284299 0.84224817253317 15.999 > 125 126 O 0.73939518468582 0.24610139284299 0.84224817253317 15.999 > 125 127 O 0.26060481531418 0.75389860715701 0.84224817253317 15.999 > 127 128 O 0.76060481531418 0.75389860715701 0.84224817253317 15.999 > 127 129 O 0.48939518468582 0.25389860715701 0.65775182746683 15.999 > 129 130 O 0.98939518468582 0.25389860715701 0.65775182746683 15.999 > 129 131 O 0.01060481531418 0.74610139284299 0.65775182746683 15.999 > 131 132 O 0.51060481531418 0.74610139284299 0.65775182746683 15.999 > 131 133 O 0.15189213496533 0.42085101412327 0.00000000000000 15.999 > 133 134 O 0.65189213496533 0.42085101412327 0.00000000000000 15.999 > 133 135 O 0.34810786503467 0.57914898587673 0.00000000000000 15.999 > 135 136 O 0.84810786503467 0.57914898587673 0.00000000000000 15.999 > 135 137 O 0.40189213496533 0.07914898587673 0.50000000000000 15.999 > 137 138 O 0.90189213496533 0.07914898587673 0.50000000000000 15.999 > 137 139 O 0.09810786503467 0.92085101412327 0.50000000000000 15.999 > 139 140 O 0.59810786503467 0.92085101412327 0.50000000000000 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.0338486 0.0000000 0.0000000 0.0000000 3.0473061 0.0000000 0.0000000 0.0000000 3.0170076 -------------------------- Born effective charges -------------------------- 1 Mg 2.1606193 0.0596219 0.0000000 -0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 2 Mg 2.1606193 0.0596219 0.0000000 -0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 3 Mg 2.1606193 -0.0596219 0.0000000 0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 4 Mg 2.1606193 -0.0596219 0.0000000 0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 5 Mg 1.8709914 -0.0485340 0.0582469 0.0245420 2.0914128 -0.0424690 0.0566703 -0.0156195 2.1001438 6 Mg 1.8709914 -0.0485340 -0.0582469 0.0245420 2.0914128 0.0424690 -0.0566703 0.0156195 2.1001438 7 Mg 1.8709914 0.0485340 -0.0582469 -0.0245420 2.0914128 -0.0424690 -0.0566703 -0.0156195 2.1001438 8 Mg 1.8709914 0.0485340 0.0582469 -0.0245420 2.0914128 0.0424690 0.0566703 0.0156195 2.1001438 9 Mg 1.8709914 -0.0485340 0.0582469 0.0245420 2.0914128 -0.0424690 0.0566703 -0.0156195 2.1001438 10 Mg 1.8709914 -0.0485340 -0.0582469 0.0245420 2.0914128 0.0424690 -0.0566703 0.0156195 2.1001438 11 Mg 1.8709914 0.0485340 -0.0582469 -0.0245420 2.0914128 -0.0424690 -0.0566703 -0.0156195 2.1001438 12 Mg 1.8709914 0.0485340 0.0582469 -0.0245420 2.0914128 0.0424690 0.0566703 0.0156195 2.1001438 13 Mg 2.1366073 -0.0460608 0.0000000 -0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 14 Mg 2.1366073 0.0460608 0.0000000 0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 15 Mg 2.1366073 -0.0460608 0.0000000 -0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 16 Mg 2.1366073 0.0460608 0.0000000 0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 17 Mg 2.1145693 0.0251139 0.0000000 0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 18 Mg 2.1145693 -0.0251139 0.0000000 -0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 19 Mg 2.1145693 0.0251139 0.0000000 0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 20 Mg 2.1145693 -0.0251139 0.0000000 -0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 21 Si 3.6427259 -0.1403397 0.0000000 -0.1768286 3.3603773 0.0000000 0.0000000 0.0000000 3.3450423 22 Si 3.6427259 0.1403397 0.0000000 0.1768286 3.3603773 0.0000000 0.0000000 0.0000000 3.3450423 23 Si 3.1767397 -0.0053989 0.0000000 0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 24 Si 3.1767397 -0.0053989 0.0000000 0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 25 Si 3.1767397 0.0053989 0.0000000 -0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 26 Si 3.1767397 0.0053989 0.0000000 -0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 27 H 0.4759640 0.2184760 -0.1768382 0.1823720 0.7591661 -0.2464105 -0.1433142 -0.2475929 0.5269665 28 H 0.4759640 0.2184760 0.1768382 0.1823720 0.7591661 0.2464105 0.1433142 0.2475929 0.5269665 29 H 0.4759640 -0.2184760 0.1768382 -0.1823720 0.7591661 -0.2464105 0.1433142 -0.2475929 0.5269665 30 H 0.4759640 -0.2184760 -0.1768382 -0.1823720 0.7591661 0.2464105 -0.1433142 0.2475929 0.5269665 31 H 0.4759640 0.2184760 -0.1768382 0.1823720 0.7591661 -0.2464105 -0.1433142 -0.2475929 0.5269665 32 H 0.4759640 0.2184760 0.1768382 0.1823720 0.7591661 0.2464105 0.1433142 0.2475929 0.5269665 33 H 0.4759640 -0.2184760 0.1768382 -0.1823720 0.7591661 -0.2464105 0.1433142 -0.2475929 0.5269665 34 H 0.4759640 -0.2184760 -0.1768382 -0.1823720 0.7591661 0.2464105 -0.1433142 0.2475929 0.5269665 35 O -1.7326165 -0.0840059 -0.3888533 -0.1466804 -1.6217463 -0.2581627 -0.3776471 -0.2352919 -2.1740074 36 O -1.7326165 -0.0840059 0.3888533 -0.1466804 -1.6217463 0.2581627 0.3776471 0.2352919 -2.1740074 37 O -1.7326165 0.0840059 0.3888533 0.1466804 -1.6217463 -0.2581627 0.3776471 -0.2352919 -2.1740074 38 O -1.7326165 0.0840059 -0.3888533 0.1466804 -1.6217463 0.2581627 -0.3776471 0.2352919 -2.1740074 39 O -1.7326165 -0.0840059 -0.3888533 -0.1466804 -1.6217463 -0.2581627 -0.3776471 -0.2352919 -2.1740074 40 O -1.7326165 -0.0840059 0.3888533 -0.1466804 -1.6217463 0.2581627 0.3776471 0.2352919 -2.1740074 41 O -1.7326165 0.0840059 0.3888533 0.1466804 -1.6217463 -0.2581627 0.3776471 -0.2352919 -2.1740074 42 O -1.7326165 0.0840059 -0.3888533 0.1466804 -1.6217463 0.2581627 -0.3776471 0.2352919 -2.1740074 43 O -1.5549629 -0.0028860 0.0000000 0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 44 O -1.5549629 -0.0028860 0.0000000 0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 45 O -1.5549629 0.0028860 0.0000000 -0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 46 O -1.5549629 0.0028860 0.0000000 -0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 47 O -2.2255718 0.1275498 0.0000000 0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 48 O -2.2255718 0.1275498 0.0000000 0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 49 O -2.2255718 -0.1275498 0.0000000 -0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 50 O -2.2255718 -0.1275498 0.0000000 -0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 51 O -1.8677559 -0.0729140 -0.0938359 -0.0331302 -1.8365466 -0.1309092 -0.0840403 -0.1283575 -1.9506181 52 O -1.8677559 -0.0729140 0.0938359 -0.0331302 -1.8365466 0.1309092 0.0840403 0.1283575 -1.9506181 53 O -1.8677559 0.0729140 0.0938359 0.0331302 -1.8365466 -0.1309092 0.0840403 -0.1283575 -1.9506181 54 O -1.8677559 0.0729140 -0.0938359 0.0331302 -1.8365466 0.1309092 -0.0840403 0.1283575 -1.9506181 55 O -1.8677559 -0.0729140 -0.0938359 -0.0331302 -1.8365466 -0.1309092 -0.0840403 -0.1283575 -1.9506181 56 O -1.8677559 -0.0729140 0.0938359 -0.0331302 -1.8365466 0.1309092 0.0840403 0.1283575 -1.9506181 57 O -1.8677559 0.0729140 0.0938359 0.0331302 -1.8365466 -0.1309092 0.0840403 -0.1283575 -1.9506181 58 O -1.8677559 0.0729140 -0.0938359 0.0331302 -1.8365466 0.1309092 -0.0840403 0.1283575 -1.9506181 59 O -1.4409049 -0.0350989 0.1120511 -0.0089503 -1.6357000 0.0558451 0.0625792 0.0410223 -1.5033372 60 O -1.4409049 -0.0350989 -0.1120511 -0.0089503 -1.6357000 -0.0558451 -0.0625792 -0.0410223 -1.5033372 61 O -1.4409049 0.0350989 -0.1120511 0.0089503 -1.6357000 0.0558451 -0.0625792 0.0410223 -1.5033372 62 O -1.4409049 0.0350989 0.1120511 0.0089503 -1.6357000 -0.0558451 0.0625792 -0.0410223 -1.5033372 63 O -1.4409049 -0.0350989 0.1120511 -0.0089503 -1.6357000 0.0558451 0.0625792 0.0410223 -1.5033372 64 O -1.4409049 -0.0350989 -0.1120511 -0.0089503 -1.6357000 -0.0558451 -0.0625792 -0.0410223 -1.5033372 65 O -1.4409049 0.0350989 -0.1120511 0.0089503 -1.6357000 0.0558451 -0.0625792 0.0410223 -1.5033372 66 O -1.4409049 0.0350989 0.1120511 0.0089503 -1.6357000 -0.0558451 0.0625792 -0.0410223 -1.5033372 67 O -2.2407202 0.2623621 0.0000000 0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 68 O -2.2407202 0.2623621 0.0000000 0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 69 O -2.2407202 -0.2623621 0.0000000 -0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 70 O -2.2407202 -0.2623621 0.0000000 -0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 85, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 93, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 101, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 117, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 133, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (xy) 0.00000000 (xy) 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 21:48:25]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 21:48:25]------------------------- 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): [2 1 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnnm (58) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.114202680000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.987394530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.748622299999999 Atomic positions (fractional): 1 Mg 0.33416238030664 0.67446838942223 0.00000000000000 24.305 2 Mg 0.66583761969336 0.32553161057777 0.00000000000000 24.305 3 Mg 0.83416238030664 0.82553161057777 0.50000000000000 24.305 4 Mg 0.16583761969336 0.17446838942223 0.50000000000000 24.305 5 Mg 0.34332883478062 0.82292357653026 0.32393606602242 24.305 6 Mg 0.65667116521938 0.17707642346974 0.32393606602242 24.305 7 Mg 0.84332883478062 0.67707642346974 0.17606393397758 24.305 8 Mg 0.15667116521938 0.32292357653026 0.17606393397758 24.305 9 Mg 0.65667116521938 0.17707642346974 0.67606393397758 24.305 10 Mg 0.34332883478062 0.82292357653026 0.67606393397758 24.305 11 Mg 0.15667116521938 0.32292357653026 0.82393606602242 24.305 12 Mg 0.84332883478062 0.67707642346974 0.82393606602242 24.305 13 Mg 0.00000000000000 0.00000000000000 0.32214377760152 24.305 14 Mg 0.50000000000000 0.50000000000000 0.17785622239848 24.305 15 Mg 0.00000000000000 0.00000000000000 0.67785622239848 24.305 16 Mg 0.50000000000000 0.50000000000000 0.82214377760152 24.305 17 Mg 0.00000000000000 0.50000000000000 0.34103704468921 24.305 18 Mg 0.50000000000000 0.00000000000000 0.15896295531078 24.305 19 Mg 0.00000000000000 0.50000000000000 0.65896295531078 24.305 20 Mg 0.50000000000000 0.00000000000000 0.84103704468922 24.305 21 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 22 Si 0.50000000000000 0.00000000000000 0.50000000000000 28.085 23 Si 0.01559728424189 0.87638850387802 0.00000000000000 28.085 24 Si 0.98440271575811 0.12361149612198 0.00000000000000 28.085 25 Si 0.51559728424189 0.62361149612198 0.50000000000000 28.085 26 Si 0.48440271575811 0.37638850387802 0.50000000000000 28.085 27 H 0.58276435891879 0.81115545165697 0.10049600007171 1.008 28 H 0.41723564108121 0.18884454834303 0.10049600007171 1.008 29 H 0.08276435891879 0.68884454834303 0.39950399992829 1.008 30 H 0.91723564108121 0.31115545165697 0.39950399992829 1.008 31 H 0.41723564108121 0.18884454834303 0.89950399992829 1.008 32 H 0.58276435891879 0.81115545165697 0.89950399992829 1.008 33 H 0.91723564108121 0.31115545165697 0.60049600007171 1.008 34 H 0.08276435891879 0.68884454834303 0.60049600007171 1.008 35 O 0.16838920305283 0.91412644730938 0.15677240915063 15.999 36 O 0.83161079694717 0.08587355269062 0.15677240915063 15.999 37 O 0.66838920305283 0.58587355269062 0.34322759084937 15.999 38 O 0.33161079694717 0.41412644730938 0.34322759084937 15.999 39 O 0.83161079694717 0.08587355269062 0.84322759084937 15.999 40 O 0.16838920305283 0.91412644730938 0.84322759084937 15.999 41 O 0.33161079694717 0.41412644730938 0.65677240915063 15.999 42 O 0.66838920305283 0.58587355269062 0.65677240915063 15.999 43 O 0.00931475027980 0.75829724069720 0.00000000000000 15.999 44 O 0.99068524972020 0.24170275930280 0.00000000000000 15.999 45 O 0.50931475027980 0.74170275930280 0.50000000000000 15.999 46 O 0.49068524972020 0.25829724069720 0.50000000000000 15.999 47 O 0.70466716867175 0.91281668833234 0.00000000000000 15.999 48 O 0.29533283132825 0.08718331166766 0.00000000000000 15.999 49 O 0.20466716867175 0.58718331166766 0.50000000000000 15.999 50 O 0.79533283132825 0.41281668833234 0.50000000000000 15.999 51 O 0.14532185979894 0.57344580266879 0.14532211529661 15.999 52 O 0.85467814020106 0.42655419733120 0.14532211529661 15.999 53 O 0.64532185979894 0.92655419733121 0.35467788470339 15.999 54 O 0.35467814020106 0.07344580266879 0.35467788470339 15.999 55 O 0.85467814020106 0.42655419733120 0.85467788470339 15.999 56 O 0.14532185979894 0.57344580266879 0.85467788470339 15.999 57 O 0.35467814020106 0.07344580266879 0.64532211529661 15.999 58 O 0.64532185979894 0.92655419733121 0.64532211529661 15.999 59 O 0.52120963062836 0.75389860715701 0.15775182746683 15.999 60 O 0.47879036937164 0.24610139284299 0.15775182746683 15.999 61 O 0.02120963062836 0.74610139284299 0.34224817253317 15.999 62 O 0.97879036937164 0.25389860715701 0.34224817253317 15.999 63 O 0.47879036937164 0.24610139284299 0.84224817253317 15.999 64 O 0.52120963062836 0.75389860715701 0.84224817253317 15.999 65 O 0.97879036937164 0.25389860715701 0.65775182746683 15.999 66 O 0.02120963062836 0.74610139284299 0.65775182746683 15.999 67 O 0.30378426993067 0.42085101412327 0.00000000000000 15.999 68 O 0.69621573006933 0.57914898587673 0.00000000000000 15.999 69 O 0.80378426993067 0.07914898587673 0.50000000000000 15.999 70 O 0.19621573006933 0.92085101412327 0.50000000000000 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.228405360000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.987394530000000 0.000000000000000 c 0.000000000000000 0.000000000000000 8.748622299999999 Atomic positions (fractional): 1 Mg 0.16708119015332 0.67446838942223 0.00000000000000 24.305 > 1 2 Mg 0.66708119015332 0.67446838942223 0.00000000000000 24.305 > 1 3 Mg 0.33291880984668 0.32553161057777 0.00000000000000 24.305 > 3 4 Mg 0.83291880984668 0.32553161057777 0.00000000000000 24.305 > 3 5 Mg 0.41708119015332 0.82553161057777 0.50000000000000 24.305 > 5 6 Mg 0.91708119015332 0.82553161057777 0.50000000000000 24.305 > 5 7 Mg 0.08291880984668 0.17446838942223 0.50000000000000 24.305 > 7 8 Mg 0.58291880984668 0.17446838942223 0.50000000000000 24.305 > 7 9 Mg 0.17166441739031 0.82292357653026 0.32393606602242 24.305 > 9 10 Mg 0.67166441739031 0.82292357653026 0.32393606602242 24.305 > 9 11 Mg 0.32833558260969 0.17707642346974 0.32393606602242 24.305 > 11 12 Mg 0.82833558260969 0.17707642346974 0.32393606602242 24.305 > 11 13 Mg 0.42166441739031 0.67707642346974 0.17606393397758 24.305 > 13 14 Mg 0.92166441739031 0.67707642346974 0.17606393397758 24.305 > 13 15 Mg 0.07833558260969 0.32292357653026 0.17606393397758 24.305 > 15 16 Mg 0.57833558260969 0.32292357653026 0.17606393397758 24.305 > 15 17 Mg 0.32833558260969 0.17707642346974 0.67606393397758 24.305 > 17 18 Mg 0.82833558260969 0.17707642346974 0.67606393397758 24.305 > 17 19 Mg 0.17166441739031 0.82292357653026 0.67606393397758 24.305 > 19 20 Mg 0.67166441739031 0.82292357653026 0.67606393397758 24.305 > 19 21 Mg 0.07833558260969 0.32292357653026 0.82393606602242 24.305 > 21 22 Mg 0.57833558260969 0.32292357653026 0.82393606602242 24.305 > 21 23 Mg 0.42166441739031 0.67707642346974 0.82393606602242 24.305 > 23 24 Mg 0.92166441739031 0.67707642346974 0.82393606602242 24.305 > 23 25 Mg 0.00000000000000 0.00000000000000 0.32214377760152 24.305 > 25 26 Mg 0.50000000000000 0.00000000000000 0.32214377760152 24.305 > 25 27 Mg 0.25000000000000 0.50000000000000 0.17785622239848 24.305 > 27 28 Mg 0.75000000000000 0.50000000000000 0.17785622239848 24.305 > 27 29 Mg 0.00000000000000 0.00000000000000 0.67785622239848 24.305 > 29 30 Mg 0.50000000000000 0.00000000000000 0.67785622239848 24.305 > 29 31 Mg 0.25000000000000 0.50000000000000 0.82214377760152 24.305 > 31 32 Mg 0.75000000000000 0.50000000000000 0.82214377760152 24.305 > 31 33 Mg 0.00000000000000 0.50000000000000 0.34103704468921 24.305 > 33 34 Mg 0.50000000000000 0.50000000000000 0.34103704468921 24.305 > 33 35 Mg 0.25000000000000 0.00000000000000 0.15896295531078 24.305 > 35 36 Mg 0.75000000000000 0.00000000000000 0.15896295531078 24.305 > 35 37 Mg 0.00000000000000 0.50000000000000 0.65896295531078 24.305 > 37 38 Mg 0.50000000000000 0.50000000000000 0.65896295531078 24.305 > 37 39 Mg 0.25000000000000 0.00000000000000 0.84103704468922 24.305 > 39 40 Mg 0.75000000000000 0.00000000000000 0.84103704468922 24.305 > 39 41 Si 0.00000000000000 0.50000000000000 0.00000000000000 28.085 > 41 42 Si 0.50000000000000 0.50000000000000 0.00000000000000 28.085 > 41 43 Si 0.25000000000000 0.00000000000000 0.50000000000000 28.085 > 43 44 Si 0.75000000000000 0.00000000000000 0.50000000000000 28.085 > 43 45 Si 0.00779864212095 0.87638850387802 0.00000000000000 28.085 > 45 46 Si 0.50779864212095 0.87638850387802 0.00000000000000 28.085 > 45 47 Si 0.49220135787905 0.12361149612198 0.00000000000000 28.085 > 47 48 Si 0.99220135787905 0.12361149612198 0.00000000000000 28.085 > 47 49 Si 0.25779864212095 0.62361149612198 0.50000000000000 28.085 > 49 50 Si 0.75779864212095 0.62361149612198 0.50000000000000 28.085 > 49 51 Si 0.24220135787905 0.37638850387802 0.50000000000000 28.085 > 51 52 Si 0.74220135787905 0.37638850387802 0.50000000000000 28.085 > 51 53 H 0.29138217945940 0.81115545165697 0.10049600007171 1.008 > 53 54 H 0.79138217945940 0.81115545165697 0.10049600007171 1.008 > 53 55 H 0.20861782054060 0.18884454834303 0.10049600007171 1.008 > 55 56 H 0.70861782054060 0.18884454834303 0.10049600007171 1.008 > 55 57 H 0.04138217945940 0.68884454834303 0.39950399992829 1.008 > 57 58 H 0.54138217945940 0.68884454834303 0.39950399992829 1.008 > 57 59 H 0.45861782054060 0.31115545165697 0.39950399992829 1.008 > 59 60 H 0.95861782054060 0.31115545165697 0.39950399992829 1.008 > 59 61 H 0.20861782054060 0.18884454834303 0.89950399992829 1.008 > 61 62 H 0.70861782054060 0.18884454834303 0.89950399992829 1.008 > 61 63 H 0.29138217945940 0.81115545165697 0.89950399992829 1.008 > 63 64 H 0.79138217945940 0.81115545165697 0.89950399992829 1.008 > 63 65 H 0.45861782054060 0.31115545165697 0.60049600007171 1.008 > 65 66 H 0.95861782054060 0.31115545165697 0.60049600007171 1.008 > 65 67 H 0.04138217945940 0.68884454834303 0.60049600007171 1.008 > 67 68 H 0.54138217945940 0.68884454834303 0.60049600007171 1.008 > 67 69 O 0.08419460152641 0.91412644730938 0.15677240915063 15.999 > 69 70 O 0.58419460152641 0.91412644730938 0.15677240915063 15.999 > 69 71 O 0.41580539847359 0.08587355269062 0.15677240915063 15.999 > 71 72 O 0.91580539847359 0.08587355269062 0.15677240915063 15.999 > 71 73 O 0.33419460152641 0.58587355269062 0.34322759084937 15.999 > 73 74 O 0.83419460152641 0.58587355269062 0.34322759084937 15.999 > 73 75 O 0.16580539847359 0.41412644730938 0.34322759084937 15.999 > 75 76 O 0.66580539847359 0.41412644730938 0.34322759084937 15.999 > 75 77 O 0.41580539847359 0.08587355269062 0.84322759084937 15.999 > 77 78 O 0.91580539847359 0.08587355269062 0.84322759084937 15.999 > 77 79 O 0.08419460152641 0.91412644730938 0.84322759084937 15.999 > 79 80 O 0.58419460152641 0.91412644730938 0.84322759084937 15.999 > 79 81 O 0.16580539847359 0.41412644730938 0.65677240915063 15.999 > 81 82 O 0.66580539847359 0.41412644730938 0.65677240915063 15.999 > 81 83 O 0.33419460152641 0.58587355269062 0.65677240915063 15.999 > 83 84 O 0.83419460152641 0.58587355269062 0.65677240915063 15.999 > 83 85 O 0.00465737513990 0.75829724069720 0.00000000000000 15.999 > 85 86 O 0.50465737513990 0.75829724069720 0.00000000000000 15.999 > 85 87 O 0.49534262486010 0.24170275930280 0.00000000000000 15.999 > 87 88 O 0.99534262486010 0.24170275930280 0.00000000000000 15.999 > 87 89 O 0.25465737513990 0.74170275930280 0.50000000000000 15.999 > 89 90 O 0.75465737513990 0.74170275930280 0.50000000000000 15.999 > 89 91 O 0.24534262486010 0.25829724069720 0.50000000000000 15.999 > 91 92 O 0.74534262486010 0.25829724069720 0.50000000000000 15.999 > 91 93 O 0.35233358433587 0.91281668833234 0.00000000000000 15.999 > 93 94 O 0.85233358433587 0.91281668833234 0.00000000000000 15.999 > 93 95 O 0.14766641566413 0.08718331166766 0.00000000000000 15.999 > 95 96 O 0.64766641566413 0.08718331166766 0.00000000000000 15.999 > 95 97 O 0.10233358433587 0.58718331166766 0.50000000000000 15.999 > 97 98 O 0.60233358433587 0.58718331166766 0.50000000000000 15.999 > 97 99 O 0.39766641566413 0.41281668833234 0.50000000000000 15.999 > 99 100 O 0.89766641566413 0.41281668833234 0.50000000000000 15.999 > 99 101 O 0.07266092989947 0.57344580266879 0.14532211529661 15.999 > 101 102 O 0.57266092989947 0.57344580266879 0.14532211529661 15.999 > 101 103 O 0.42733907010053 0.42655419733120 0.14532211529661 15.999 > 103 104 O 0.92733907010053 0.42655419733120 0.14532211529661 15.999 > 103 105 O 0.32266092989947 0.92655419733121 0.35467788470339 15.999 > 105 106 O 0.82266092989947 0.92655419733121 0.35467788470339 15.999 > 105 107 O 0.17733907010053 0.07344580266879 0.35467788470339 15.999 > 107 108 O 0.67733907010053 0.07344580266879 0.35467788470339 15.999 > 107 109 O 0.42733907010053 0.42655419733120 0.85467788470339 15.999 > 109 110 O 0.92733907010053 0.42655419733120 0.85467788470339 15.999 > 109 111 O 0.07266092989947 0.57344580266879 0.85467788470339 15.999 > 111 112 O 0.57266092989947 0.57344580266879 0.85467788470339 15.999 > 111 113 O 0.17733907010053 0.07344580266879 0.64532211529661 15.999 > 113 114 O 0.67733907010053 0.07344580266879 0.64532211529661 15.999 > 113 115 O 0.32266092989947 0.92655419733121 0.64532211529661 15.999 > 115 116 O 0.82266092989947 0.92655419733121 0.64532211529661 15.999 > 115 117 O 0.26060481531418 0.75389860715701 0.15775182746683 15.999 > 117 118 O 0.76060481531418 0.75389860715701 0.15775182746683 15.999 > 117 119 O 0.23939518468582 0.24610139284299 0.15775182746683 15.999 > 119 120 O 0.73939518468582 0.24610139284299 0.15775182746683 15.999 > 119 121 O 0.01060481531418 0.74610139284299 0.34224817253317 15.999 > 121 122 O 0.51060481531418 0.74610139284299 0.34224817253317 15.999 > 121 123 O 0.48939518468582 0.25389860715701 0.34224817253317 15.999 > 123 124 O 0.98939518468582 0.25389860715701 0.34224817253317 15.999 > 123 125 O 0.23939518468582 0.24610139284299 0.84224817253317 15.999 > 125 126 O 0.73939518468582 0.24610139284299 0.84224817253317 15.999 > 125 127 O 0.26060481531418 0.75389860715701 0.84224817253317 15.999 > 127 128 O 0.76060481531418 0.75389860715701 0.84224817253317 15.999 > 127 129 O 0.48939518468582 0.25389860715701 0.65775182746683 15.999 > 129 130 O 0.98939518468582 0.25389860715701 0.65775182746683 15.999 > 129 131 O 0.01060481531418 0.74610139284299 0.65775182746683 15.999 > 131 132 O 0.51060481531418 0.74610139284299 0.65775182746683 15.999 > 131 133 O 0.15189213496533 0.42085101412327 0.00000000000000 15.999 > 133 134 O 0.65189213496533 0.42085101412327 0.00000000000000 15.999 > 133 135 O 0.34810786503467 0.57914898587673 0.00000000000000 15.999 > 135 136 O 0.84810786503467 0.57914898587673 0.00000000000000 15.999 > 135 137 O 0.40189213496533 0.07914898587673 0.50000000000000 15.999 > 137 138 O 0.90189213496533 0.07914898587673 0.50000000000000 15.999 > 137 139 O 0.09810786503467 0.92085101412327 0.50000000000000 15.999 > 139 140 O 0.59810786503467 0.92085101412327 0.50000000000000 15.999 > 139 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.0338486 0.0000000 0.0000000 0.0000000 3.0473061 0.0000000 0.0000000 0.0000000 3.0170076 -------------------------- Born effective charges -------------------------- 1 Mg 2.1606193 0.0596219 0.0000000 -0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 2 Mg 2.1606193 0.0596219 0.0000000 -0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 3 Mg 2.1606193 -0.0596219 0.0000000 0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 4 Mg 2.1606193 -0.0596219 0.0000000 0.0051187 2.2321257 0.0000000 0.0000000 0.0000000 1.7531235 5 Mg 1.8709914 -0.0485340 0.0582469 0.0245420 2.0914128 -0.0424690 0.0566703 -0.0156195 2.1001438 6 Mg 1.8709914 -0.0485340 -0.0582469 0.0245420 2.0914128 0.0424690 -0.0566703 0.0156195 2.1001438 7 Mg 1.8709914 0.0485340 -0.0582469 -0.0245420 2.0914128 -0.0424690 -0.0566703 -0.0156195 2.1001438 8 Mg 1.8709914 0.0485340 0.0582469 -0.0245420 2.0914128 0.0424690 0.0566703 0.0156195 2.1001438 9 Mg 1.8709914 -0.0485340 0.0582469 0.0245420 2.0914128 -0.0424690 0.0566703 -0.0156195 2.1001438 10 Mg 1.8709914 -0.0485340 -0.0582469 0.0245420 2.0914128 0.0424690 -0.0566703 0.0156195 2.1001438 11 Mg 1.8709914 0.0485340 -0.0582469 -0.0245420 2.0914128 -0.0424690 -0.0566703 -0.0156195 2.1001438 12 Mg 1.8709914 0.0485340 0.0582469 -0.0245420 2.0914128 0.0424690 0.0566703 0.0156195 2.1001438 13 Mg 2.1366073 -0.0460608 0.0000000 -0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 14 Mg 2.1366073 0.0460608 0.0000000 0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 15 Mg 2.1366073 -0.0460608 0.0000000 -0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 16 Mg 2.1366073 0.0460608 0.0000000 0.0852944 1.7840101 0.0000000 0.0000000 0.0000000 2.1495388 17 Mg 2.1145693 0.0251139 0.0000000 0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 18 Mg 2.1145693 -0.0251139 0.0000000 -0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 19 Mg 2.1145693 0.0251139 0.0000000 0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 20 Mg 2.1145693 -0.0251139 0.0000000 -0.0113650 1.9880385 0.0000000 0.0000000 0.0000000 2.1543884 21 Si 3.6427259 -0.1403397 0.0000000 -0.1768286 3.3603773 0.0000000 0.0000000 0.0000000 3.3450423 22 Si 3.6427259 0.1403397 0.0000000 0.1768286 3.3603773 0.0000000 0.0000000 0.0000000 3.3450423 23 Si 3.1767397 -0.0053989 0.0000000 0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 24 Si 3.1767397 -0.0053989 0.0000000 0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 25 Si 3.1767397 0.0053989 0.0000000 -0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 26 Si 3.1767397 0.0053989 0.0000000 -0.1670852 3.1024791 0.0000000 0.0000000 0.0000000 3.0167833 27 H 0.4759640 0.2184760 -0.1768382 0.1823720 0.7591661 -0.2464105 -0.1433142 -0.2475929 0.5269665 28 H 0.4759640 0.2184760 0.1768382 0.1823720 0.7591661 0.2464105 0.1433142 0.2475929 0.5269665 29 H 0.4759640 -0.2184760 0.1768382 -0.1823720 0.7591661 -0.2464105 0.1433142 -0.2475929 0.5269665 30 H 0.4759640 -0.2184760 -0.1768382 -0.1823720 0.7591661 0.2464105 -0.1433142 0.2475929 0.5269665 31 H 0.4759640 0.2184760 -0.1768382 0.1823720 0.7591661 -0.2464105 -0.1433142 -0.2475929 0.5269665 32 H 0.4759640 0.2184760 0.1768382 0.1823720 0.7591661 0.2464105 0.1433142 0.2475929 0.5269665 33 H 0.4759640 -0.2184760 0.1768382 -0.1823720 0.7591661 -0.2464105 0.1433142 -0.2475929 0.5269665 34 H 0.4759640 -0.2184760 -0.1768382 -0.1823720 0.7591661 0.2464105 -0.1433142 0.2475929 0.5269665 35 O -1.7326165 -0.0840059 -0.3888533 -0.1466804 -1.6217463 -0.2581627 -0.3776471 -0.2352919 -2.1740074 36 O -1.7326165 -0.0840059 0.3888533 -0.1466804 -1.6217463 0.2581627 0.3776471 0.2352919 -2.1740074 37 O -1.7326165 0.0840059 0.3888533 0.1466804 -1.6217463 -0.2581627 0.3776471 -0.2352919 -2.1740074 38 O -1.7326165 0.0840059 -0.3888533 0.1466804 -1.6217463 0.2581627 -0.3776471 0.2352919 -2.1740074 39 O -1.7326165 -0.0840059 -0.3888533 -0.1466804 -1.6217463 -0.2581627 -0.3776471 -0.2352919 -2.1740074 40 O -1.7326165 -0.0840059 0.3888533 -0.1466804 -1.6217463 0.2581627 0.3776471 0.2352919 -2.1740074 41 O -1.7326165 0.0840059 0.3888533 0.1466804 -1.6217463 -0.2581627 0.3776471 -0.2352919 -2.1740074 42 O -1.7326165 0.0840059 -0.3888533 0.1466804 -1.6217463 0.2581627 -0.3776471 0.2352919 -2.1740074 43 O -1.5549629 -0.0028860 0.0000000 0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 44 O -1.5549629 -0.0028860 0.0000000 0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 45 O -1.5549629 0.0028860 0.0000000 -0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 46 O -1.5549629 0.0028860 0.0000000 -0.0006858 -2.4070430 0.0000000 0.0000000 0.0000000 -1.4393271 47 O -2.2255718 0.1275498 0.0000000 0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 48 O -2.2255718 0.1275498 0.0000000 0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 49 O -2.2255718 -0.1275498 0.0000000 -0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 50 O -2.2255718 -0.1275498 0.0000000 -0.1073072 -1.9491354 0.0000000 0.0000000 0.0000000 -1.5630944 51 O -1.8677559 -0.0729140 -0.0938359 -0.0331302 -1.8365466 -0.1309092 -0.0840403 -0.1283575 -1.9506181 52 O -1.8677559 -0.0729140 0.0938359 -0.0331302 -1.8365466 0.1309092 0.0840403 0.1283575 -1.9506181 53 O -1.8677559 0.0729140 0.0938359 0.0331302 -1.8365466 -0.1309092 0.0840403 -0.1283575 -1.9506181 54 O -1.8677559 0.0729140 -0.0938359 0.0331302 -1.8365466 0.1309092 -0.0840403 0.1283575 -1.9506181 55 O -1.8677559 -0.0729140 -0.0938359 -0.0331302 -1.8365466 -0.1309092 -0.0840403 -0.1283575 -1.9506181 56 O -1.8677559 -0.0729140 0.0938359 -0.0331302 -1.8365466 0.1309092 0.0840403 0.1283575 -1.9506181 57 O -1.8677559 0.0729140 0.0938359 0.0331302 -1.8365466 -0.1309092 0.0840403 -0.1283575 -1.9506181 58 O -1.8677559 0.0729140 -0.0938359 0.0331302 -1.8365466 0.1309092 -0.0840403 0.1283575 -1.9506181 59 O -1.4409049 -0.0350989 0.1120511 -0.0089503 -1.6357000 0.0558451 0.0625792 0.0410223 -1.5033372 60 O -1.4409049 -0.0350989 -0.1120511 -0.0089503 -1.6357000 -0.0558451 -0.0625792 -0.0410223 -1.5033372 61 O -1.4409049 0.0350989 -0.1120511 0.0089503 -1.6357000 0.0558451 -0.0625792 0.0410223 -1.5033372 62 O -1.4409049 0.0350989 0.1120511 0.0089503 -1.6357000 -0.0558451 0.0625792 -0.0410223 -1.5033372 63 O -1.4409049 -0.0350989 0.1120511 -0.0089503 -1.6357000 0.0558451 0.0625792 0.0410223 -1.5033372 64 O -1.4409049 -0.0350989 -0.1120511 -0.0089503 -1.6357000 -0.0558451 -0.0625792 -0.0410223 -1.5033372 65 O -1.4409049 0.0350989 -0.1120511 0.0089503 -1.6357000 0.0558451 -0.0625792 0.0410223 -1.5033372 66 O -1.4409049 0.0350989 0.1120511 0.0089503 -1.6357000 -0.0558451 0.0625792 -0.0410223 -1.5033372 67 O -2.2407202 0.2623621 0.0000000 0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 68 O -2.2407202 0.2623621 0.0000000 0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 69 O -2.2407202 -0.2623621 0.0000000 -0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 70 O -2.2407202 -0.2623621 0.0000000 -0.2755146 -1.9438357 0.0000000 0.0000000 0.0000000 -1.7422288 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (xxx) 0.00000001 (xxx) 0.00000001 (xxx) 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 ... [ 10 4 6 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.49, Number of G-points: 305, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 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 3.338 ( 0.000 0.000 0.000) 0.000 3.381 ( 0.000 0.000 0.000) 0.000 3.559 ( 0.000 0.000 0.000) 0.000 3.657 ( 0.000 0.000 0.000) 0.000 4.852 ( 0.000 0.000 0.000) 0.000 5.330 ( 0.000 0.000 0.000) 0.000 5.346 ( 0.000 0.000 0.000) 0.000 5.584 ( 0.000 0.000 0.000) 0.000 5.623 ( 0.000 0.000 0.000) 0.000 5.711 ( 0.000 0.000 0.000) 0.000 5.742 ( 0.000 0.000 0.000) 0.000 5.874 ( 0.000 0.000 0.000) 0.000 6.138 ( 0.000 0.000 0.000) 0.000 6.147 ( 0.000 0.000 0.000) 0.000 6.314 ( 0.000 0.000 0.000) 0.000 6.473 ( 0.000 0.000 0.000) 0.000 6.492 ( 0.000 0.000 0.000) 0.000 6.510 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.649 ( 0.000 0.000 0.000) 0.000 6.661 ( 0.000 0.000 0.000) 0.000 6.835 ( 0.000 0.000 0.000) 0.000 6.925 ( 0.000 0.000 0.000) 0.000 7.039 ( 0.000 0.000 0.000) 0.000 7.044 ( 0.000 0.000 0.000) 0.000 7.092 ( 0.000 0.000 0.000) 0.000 7.107 ( 0.000 0.000 0.000) 0.000 7.298 ( 0.000 0.000 0.000) 0.000 7.409 ( 0.000 0.000 0.000) 0.000 7.578 ( 0.000 0.000 0.000) 0.000 7.581 ( 0.000 0.000 0.000) 0.000 7.762 ( 0.000 0.000 0.000) 0.000 7.764 ( 0.000 0.000 0.000) 0.000 7.793 ( 0.000 0.000 0.000) 0.000 7.794 ( 0.000 0.000 0.000) 0.000 7.968 ( 0.000 0.000 0.000) 0.000 8.027 ( 0.000 0.000 0.000) 0.000 8.038 ( 0.000 0.000 0.000) 0.000 8.228 ( 0.000 0.000 0.000) 0.000 8.281 ( 0.000 0.000 0.000) 0.000 8.360 ( 0.000 0.000 0.000) 0.000 8.445 ( 0.000 0.000 0.000) 0.000 8.472 ( 0.000 0.000 0.000) 0.000 8.476 ( 0.000 0.000 0.000) 0.000 8.501 ( 0.000 0.000 0.000) 0.000 8.504 ( 0.000 0.000 0.000) 0.000 8.753 ( 0.000 0.000 0.000) 0.000 8.881 ( 0.000 0.000 0.000) 0.000 8.967 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.227 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.459 ( 0.000 0.000 0.000) 0.000 9.497 ( 0.000 0.000 0.000) 0.000 9.531 ( 0.000 0.000 0.000) 0.000 9.536 ( 0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 9.744 ( 0.000 0.000 0.000) 0.000 9.934 ( 0.000 0.000 0.000) 0.000 10.014 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.052 ( 0.000 0.000 0.000) 0.000 10.081 ( 0.000 0.000 0.000) 0.000 10.180 ( 0.000 0.000 0.000) 0.000 10.235 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.318 ( 0.000 0.000 0.000) 0.000 10.385 ( 0.000 0.000 0.000) 0.000 10.392 ( 0.000 0.000 0.000) 0.000 10.426 ( 0.000 0.000 0.000) 0.000 10.509 ( 0.000 0.000 0.000) 0.000 10.595 ( 0.000 0.000 0.000) 0.000 10.660 ( 0.000 0.000 0.000) 0.000 10.664 ( 0.000 0.000 0.000) 0.000 10.738 ( 0.000 0.000 0.000) 0.000 10.748 ( 0.000 0.000 0.000) 0.000 10.794 ( 0.000 0.000 0.000) 0.000 10.801 ( 0.000 0.000 0.000) 0.000 10.817 ( 0.000 0.000 0.000) 0.000 10.853 ( 0.000 0.000 0.000) 0.000 11.092 ( 0.000 0.000 0.000) 0.000 11.098 ( 0.000 0.000 0.000) 0.000 11.175 ( 0.000 0.000 0.000) 0.000 11.298 ( 0.000 0.000 0.000) 0.000 11.425 ( 0.000 0.000 0.000) 0.000 11.471 ( 0.000 0.000 0.000) 0.000 11.503 ( 0.000 0.000 0.000) 0.000 11.595 ( 0.000 0.000 0.000) 0.000 11.703 ( 0.000 0.000 0.000) 0.000 11.765 ( 0.000 0.000 0.000) 0.000 11.906 ( 0.000 0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 11.995 ( 0.000 0.000 0.000) 0.000 12.104 ( 0.000 0.000 0.000) 0.000 12.202 ( 0.000 0.000 0.000) 0.000 12.335 ( 0.000 0.000 0.000) 0.000 12.426 ( 0.000 0.000 0.000) 0.000 12.444 ( 0.000 0.000 0.000) 0.000 12.558 ( 0.000 0.000 0.000) 0.000 12.577 ( 0.000 0.000 0.000) 0.000 12.650 ( 0.000 0.000 0.000) 0.000 12.762 ( 0.000 0.000 0.000) 0.000 12.791 ( 0.000 0.000 0.000) 0.000 12.918 ( 0.000 0.000 0.000) 0.000 12.998 ( 0.000 0.000 0.000) 0.000 13.089 ( 0.000 0.000 0.000) 0.000 13.218 ( 0.000 0.000 0.000) 0.000 13.289 ( 0.000 0.000 0.000) 0.000 13.443 ( 0.000 0.000 0.000) 0.000 13.462 ( 0.000 0.000 0.000) 0.000 13.516 ( 0.000 0.000 0.000) 0.000 13.636 ( 0.000 0.000 0.000) 0.000 13.638 ( 0.000 0.000 0.000) 0.000 13.765 ( 0.000 0.000 0.000) 0.000 13.975 ( 0.000 0.000 0.000) 0.000 13.985 ( 0.000 0.000 0.000) 0.000 14.221 ( 0.000 0.000 0.000) 0.000 14.249 ( 0.000 0.000 0.000) 0.000 14.318 ( 0.000 0.000 0.000) 0.000 14.338 ( 0.000 0.000 0.000) 0.000 14.586 ( 0.000 0.000 0.000) 0.000 14.690 ( 0.000 0.000 0.000) 0.000 14.747 ( 0.000 0.000 0.000) 0.000 14.753 ( 0.000 0.000 0.000) 0.000 14.761 ( 0.000 0.000 0.000) 0.000 14.772 ( 0.000 0.000 0.000) 0.000 15.023 ( 0.000 0.000 0.000) 0.000 15.091 ( 0.000 0.000 0.000) 0.000 15.322 ( 0.000 0.000 0.000) 0.000 15.329 ( 0.000 0.000 0.000) 0.000 15.584 ( 0.000 0.000 0.000) 0.000 15.589 ( 0.000 0.000 0.000) 0.000 15.611 ( 0.000 0.000 0.000) 0.000 15.666 ( 0.000 0.000 0.000) 0.000 15.784 ( 0.000 0.000 0.000) 0.000 15.986 ( 0.000 0.000 0.000) 0.000 16.096 ( 0.000 0.000 0.000) 0.000 16.107 ( 0.000 0.000 0.000) 0.000 16.340 ( 0.000 0.000 0.000) 0.000 16.457 ( 0.000 0.000 0.000) 0.000 16.756 ( 0.000 0.000 0.000) 0.000 16.835 ( 0.000 0.000 0.000) 0.000 16.875 ( 0.000 0.000 0.000) 0.000 16.934 ( 0.000 0.000 0.000) 0.000 17.012 ( 0.000 0.000 0.000) 0.000 17.159 ( 0.000 0.000 0.000) 0.000 17.188 ( 0.000 0.000 0.000) 0.000 17.208 ( 0.000 0.000 0.000) 0.000 17.209 ( 0.000 0.000 0.000) 0.000 17.210 ( 0.000 0.000 0.000) 0.000 17.339 ( 0.000 0.000 0.000) 0.000 17.458 ( 0.000 0.000 0.000) 0.000 17.515 ( 0.000 0.000 0.000) 0.000 17.561 ( 0.000 0.000 0.000) 0.000 17.769 ( 0.000 0.000 0.000) 0.000 17.816 ( 0.000 0.000 0.000) 0.000 18.007 ( 0.000 0.000 0.000) 0.000 18.196 ( 0.000 0.000 0.000) 0.000 18.490 ( 0.000 0.000 0.000) 0.000 18.618 ( 0.000 0.000 0.000) 0.000 18.629 ( 0.000 0.000 0.000) 0.000 19.732 ( 0.000 0.000 0.000) 0.000 19.769 ( 0.000 0.000 0.000) 0.000 19.783 ( 0.000 0.000 0.000) 0.000 19.886 ( 0.000 0.000 0.000) 0.000 20.501 ( 0.000 0.000 0.000) 0.000 21.448 ( 0.000 0.000 0.000) 0.000 23.726 ( 0.000 0.000 0.000) 0.000 23.894 ( 0.000 0.000 0.000) 0.000 23.897 ( 0.000 0.000 0.000) 0.000 23.900 ( 0.000 0.000 0.000) 0.000 24.552 ( 0.000 0.000 0.000) 0.000 24.571 ( 0.000 0.000 0.000) 0.000 24.716 ( 0.000 0.000 0.000) 0.000 24.734 ( 0.000 0.000 0.000) 0.000 24.847 ( 0.000 0.000 0.000) 0.000 24.945 ( 0.000 0.000 0.000) 0.000 24.955 ( 0.000 0.000 0.000) 0.000 24.999 ( 0.000 0.000 0.000) 0.000 25.466 ( 0.000 0.000 0.000) 0.000 25.708 ( 0.000 0.000 0.000) 0.000 26.254 ( 0.000 0.000 0.000) 0.000 26.326 ( 0.000 0.000 0.000) 0.000 26.385 ( 0.000 0.000 0.000) 0.000 26.389 ( 0.000 0.000 0.000) 0.000 26.588 ( 0.000 0.000 0.000) 0.000 27.420 ( 0.000 0.000 0.000) 0.000 29.110 ( 0.000 0.000 0.000) 0.000 29.300 ( 0.000 0.000 0.000) 0.000 29.435 ( 0.000 0.000 0.000) 0.000 29.692 ( 0.000 0.000 0.000) 0.000 29.812 ( 0.000 0.000 0.000) 0.000 29.968 ( 0.000 0.000 0.000) 0.000 30.167 ( 0.000 0.000 0.000) 0.000 30.184 ( 0.000 0.000 0.000) 0.000 35.335 ( 0.000 0.000 0.000) 0.000 35.532 ( 0.000 0.000 0.000) 0.000 35.572 ( 0.000 0.000 0.000) 0.000 35.576 ( 0.000 0.000 0.000) 0.000 97.442 ( 0.000 0.000 0.000) 0.000 97.460 ( 0.000 0.000 0.000) 0.000 97.811 ( 0.000 0.000 0.000) 0.000 97.821 ( 0.000 0.000 0.000) 0.000 99.989 ( 0.000 0.000 0.000) 0.000 100.359 ( 0.000 0.000 0.000) 0.000 100.490 ( 0.000 0.000 0.000) 0.000 100.729 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.962 ( 49.278 0.000 0.000) 49.278 1.029 ( 52.161 0.000 0.000) 52.161 1.742 ( 87.988 0.000 0.000) 87.988 3.502 ( 16.092 0.000 0.000) 16.092 3.688 ( 28.831 0.000 0.000) 28.831 3.742 ( 17.522 0.000 0.000) 17.522 3.742 ( 8.578 0.000 0.000) 8.578 4.856 ( 0.347 0.000 0.000) 0.347 5.362 ( 1.635 0.000 0.000) 1.635 5.471 ( 7.356 0.000 0.000) 7.356 5.572 ( -15.893 0.000 0.000) 15.893 5.615 ( 3.106 0.000 0.000) 3.106 5.749 ( 3.584 0.000 0.000) 3.584 5.813 ( -4.531 0.000 0.000) 4.531 5.840 ( 17.391 0.000 0.000) 17.391 6.103 ( -3.608 0.000 0.000) 3.608 6.154 ( -10.467 0.000 0.000) 10.467 6.291 ( 12.870 0.000 0.000) 12.870 6.359 ( -10.546 0.000 0.000) 10.546 6.492 ( -15.336 0.000 0.000) 15.336 6.517 ( 2.437 0.000 0.000) 2.437 6.593 ( 0.965 0.000 0.000) 0.965 6.644 ( 1.385 0.000 0.000) 1.385 6.696 ( -10.011 0.000 0.000) 10.011 6.743 ( 7.132 0.000 0.000) 7.132 6.870 ( 3.311 0.000 0.000) 3.311 6.940 ( 0.921 0.000 0.000) 0.921 7.102 ( -0.005 0.000 0.000) 0.005 7.114 ( 0.864 0.000 0.000) 0.864 7.239 ( -6.870 0.000 0.000) 6.870 7.416 ( 6.094 0.000 0.000) 6.094 7.451 ( -18.655 0.000 0.000) 18.655 7.540 ( 9.137 0.000 0.000) 9.137 7.543 ( 8.623 0.000 0.000) 8.623 7.611 ( 2.564 0.000 0.000) 2.564 7.741 ( -1.733 0.000 0.000) 1.733 7.749 ( -4.237 0.000 0.000) 4.237 7.835 ( -7.010 0.000 0.000) 7.010 8.041 ( 4.637 0.000 0.000) 4.637 8.072 ( -2.880 0.000 0.000) 2.880 8.080 ( 4.319 0.000 0.000) 4.319 8.110 ( -9.321 0.000 0.000) 9.321 8.297 ( -3.066 0.000 0.000) 3.066 8.396 ( -13.448 0.000 0.000) 13.448 8.463 ( 2.564 0.000 0.000) 2.564 8.486 ( 5.661 0.000 0.000) 5.661 8.517 ( 7.575 0.000 0.000) 7.575 8.604 ( 4.970 0.000 0.000) 4.970 8.637 ( 1.431 0.000 0.000) 1.431 8.767 ( 1.976 0.000 0.000) 1.976 8.782 ( -3.243 0.000 0.000) 3.243 9.027 ( 6.687 0.000 0.000) 6.687 9.119 ( -18.002 0.000 0.000) 18.002 9.233 ( 6.299 0.000 0.000) 6.299 9.237 ( 0.924 0.000 0.000) 0.924 9.416 ( -10.342 0.000 0.000) 10.342 9.491 ( 0.660 0.000 0.000) 0.660 9.597 ( 4.518 0.000 0.000) 4.518 9.683 ( 10.535 0.000 0.000) 10.535 9.737 ( 2.661 0.000 0.000) 2.661 9.739 ( -0.461 0.000 0.000) 0.461 9.849 ( -6.755 0.000 0.000) 6.755 9.866 ( -8.545 0.000 0.000) 8.545 10.043 ( -8.031 0.000 0.000) 8.031 10.104 ( -2.646 0.000 0.000) 2.646 10.117 ( -10.428 0.000 0.000) 10.428 10.140 ( 4.926 0.000 0.000) 4.926 10.157 ( -12.658 0.000 0.000) 12.658 10.232 ( 4.417 0.000 0.000) 4.417 10.333 ( -1.286 0.000 0.000) 1.286 10.336 ( -7.025 0.000 0.000) 7.025 10.363 ( 3.866 0.000 0.000) 3.866 10.566 ( -14.321 0.000 0.000) 14.321 10.600 ( 6.276 0.000 0.000) 6.276 10.618 ( 0.639 0.000 0.000) 0.639 10.664 ( -2.116 0.000 0.000) 2.116 10.690 ( -5.987 0.000 0.000) 5.987 10.693 ( -2.765 0.000 0.000) 2.765 10.696 ( -10.100 0.000 0.000) 10.100 10.710 ( 8.642 0.000 0.000) 8.642 10.885 ( 4.176 0.000 0.000) 4.176 10.941 ( 8.695 0.000 0.000) 8.695 11.049 ( -8.101 0.000 0.000) 8.101 11.089 ( 0.130 0.000 0.000) 0.130 11.163 ( -1.700 0.000 0.000) 1.700 11.165 ( -7.869 0.000 0.000) 7.869 11.249 ( -4.670 0.000 0.000) 4.670 11.394 ( -2.300 0.000 0.000) 2.300 11.459 ( -4.025 0.000 0.000) 4.025 11.583 ( -6.488 0.000 0.000) 6.488 11.621 ( -14.360 0.000 0.000) 14.360 11.754 ( 23.471 0.000 0.000) 23.471 11.855 ( 8.213 0.000 0.000) 8.213 12.046 ( -4.973 0.000 0.000) 4.973 12.166 ( 11.623 0.000 0.000) 11.623 12.172 ( -2.603 0.000 0.000) 2.603 12.177 ( 16.861 0.000 0.000) 16.861 12.366 ( 2.721 0.000 0.000) 2.721 12.446 ( -1.402 0.000 0.000) 1.402 12.461 ( 5.713 0.000 0.000) 5.713 12.583 ( 2.408 0.000 0.000) 2.408 12.587 ( -6.404 0.000 0.000) 6.404 12.626 ( 5.144 0.000 0.000) 5.144 12.707 ( 1.811 0.000 0.000) 1.811 12.730 ( 1.515 0.000 0.000) 1.515 12.783 ( 2.315 0.000 0.000) 2.315 12.969 ( -2.188 0.000 0.000) 2.188 12.977 ( 4.896 0.000 0.000) 4.896 13.015 ( -6.663 0.000 0.000) 6.663 13.097 ( -1.677 0.000 0.000) 1.677 13.291 ( 3.366 0.000 0.000) 3.366 13.436 ( -2.502 0.000 0.000) 2.502 13.446 ( -6.419 0.000 0.000) 6.419 13.623 ( -1.007 0.000 0.000) 1.007 13.705 ( 6.585 0.000 0.000) 6.585 13.749 ( 16.934 0.000 0.000) 16.934 13.790 ( 2.299 0.000 0.000) 2.299 13.905 ( -6.706 0.000 0.000) 6.706 14.024 ( -3.420 0.000 0.000) 3.420 14.195 ( -7.393 0.000 0.000) 7.393 14.209 ( -2.736 0.000 0.000) 2.736 14.228 ( 0.412 0.000 0.000) 0.412 14.345 ( 0.567 0.000 0.000) 0.567 14.533 ( -19.973 0.000 0.000) 19.973 14.702 ( -7.359 0.000 0.000) 7.359 14.739 ( -2.964 0.000 0.000) 2.964 14.755 ( 4.347 0.000 0.000) 4.347 14.908 ( -4.663 0.000 0.000) 4.663 14.909 ( 8.887 0.000 0.000) 8.887 14.937 ( -16.214 0.000 0.000) 16.214 15.233 ( -7.481 0.000 0.000) 7.481 15.382 ( -6.223 0.000 0.000) 6.223 15.510 ( 8.821 0.000 0.000) 8.821 15.547 ( 4.181 0.000 0.000) 4.181 15.693 ( 2.646 0.000 0.000) 2.646 15.697 ( 9.187 0.000 0.000) 9.187 15.790 ( 0.479 0.000 0.000) 0.479 15.871 ( -9.203 0.000 0.000) 9.203 16.070 ( -3.483 0.000 0.000) 3.483 16.127 ( 3.539 0.000 0.000) 3.539 16.295 ( -2.293 0.000 0.000) 2.293 16.605 ( -5.907 0.000 0.000) 5.907 16.630 ( 8.570 0.000 0.000) 8.570 16.805 ( -10.860 0.000 0.000) 10.860 16.808 ( -9.099 0.000 0.000) 9.099 16.864 ( -7.683 0.000 0.000) 7.683 16.875 ( 3.801 0.000 0.000) 3.801 17.149 ( 14.850 0.000 0.000) 14.850 17.192 ( -1.156 0.000 0.000) 1.156 17.214 ( -0.581 0.000 0.000) 0.581 17.252 ( 6.550 0.000 0.000) 6.550 17.281 ( 2.194 0.000 0.000) 2.194 17.335 ( 3.250 0.000 0.000) 3.250 17.398 ( -6.476 0.000 0.000) 6.476 17.437 ( 9.843 0.000 0.000) 9.843 17.485 ( 2.479 0.000 0.000) 2.479 17.647 ( 4.028 0.000 0.000) 4.028 17.786 ( 1.050 0.000 0.000) 1.050 17.845 ( -2.933 0.000 0.000) 2.933 18.051 ( 4.124 0.000 0.000) 4.124 18.126 ( -6.128 0.000 0.000) 6.128 18.529 ( -3.311 0.000 0.000) 3.311 18.894 ( 19.089 0.000 0.000) 19.089 19.765 ( 0.751 0.000 0.000) 0.751 19.766 ( 3.301 0.000 0.000) 3.301 19.797 ( 1.516 0.000 0.000) 1.516 19.811 ( 2.683 0.000 0.000) 2.683 19.897 ( 0.967 0.000 0.000) 0.967 20.475 ( -2.117 0.000 0.000) 2.117 21.445 ( -7.003 0.000 0.000) 7.003 23.672 ( -4.594 0.000 0.000) 4.594 23.774 ( -10.502 0.000 0.000) 10.502 23.880 ( -2.592 0.000 0.000) 2.592 23.921 ( -4.995 0.000 0.000) 4.995 24.570 ( 1.019 0.000 0.000) 1.019 24.578 ( 1.573 0.000 0.000) 1.573 24.829 ( 6.762 0.000 0.000) 6.762 24.862 ( 1.411 0.000 0.000) 1.411 24.943 ( -1.116 0.000 0.000) 1.116 25.002 ( 4.502 0.000 0.000) 4.502 25.069 ( 8.782 0.000 0.000) 8.782 25.473 ( 0.734 0.000 0.000) 0.734 25.704 ( -0.426 0.000 0.000) 0.426 26.071 ( -1.120 0.000 0.000) 1.120 26.250 ( -0.275 0.000 0.000) 0.275 26.354 ( -3.516 0.000 0.000) 3.516 26.384 ( 0.072 0.000 0.000) 0.072 26.543 ( -4.550 0.000 0.000) 4.550 26.990 ( -0.699 0.000 0.000) 0.699 27.394 ( -2.660 0.000 0.000) 2.660 29.124 ( 1.397 0.000 0.000) 1.397 29.303 ( 0.309 0.000 0.000) 0.309 29.431 ( -0.337 0.000 0.000) 0.337 29.667 ( -2.426 0.000 0.000) 2.426 29.881 ( 6.798 0.000 0.000) 6.798 30.010 ( 4.345 0.000 0.000) 4.345 30.257 ( 8.307 0.000 0.000) 8.307 30.906 ( 0.981 0.000 0.000) 0.981 35.325 ( -1.029 0.000 0.000) 1.029 35.514 ( -1.827 0.000 0.000) 1.827 35.538 ( -3.618 0.000 0.000) 3.618 35.572 ( -2.419 0.000 0.000) 2.419 97.450 ( 0.817 0.000 0.000) 0.817 97.466 ( 0.643 0.000 0.000) 0.643 97.796 ( -1.455 0.000 0.000) 1.455 97.812 ( -0.970 0.000 0.000) 0.970 99.998 ( 0.861 0.000 0.000) 0.861 100.448 ( -3.164 0.000 0.000) 3.164 100.541 ( -0.005 0.000 0.000) 0.005 100.664 ( -6.124 0.000 0.000) 6.124 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.927 ( 49.388 0.000 0.000) 49.388 2.030 ( 49.929 0.000 0.000) 49.929 3.406 ( 80.407 0.000 0.000) 80.407 3.923 ( 25.491 0.000 0.000) 25.491 3.977 ( 14.895 0.000 0.000) 14.895 4.183 ( 26.789 0.000 0.000) 26.789 4.360 ( 35.828 0.000 0.000) 35.828 4.860 ( -0.121 0.000 0.000) 0.121 5.227 ( -16.677 0.000 0.000) 16.677 5.420 ( 5.067 0.000 0.000) 5.067 5.687 ( 14.525 0.000 0.000) 14.525 5.695 ( 4.474 0.000 0.000) 4.474 5.766 ( 0.813 0.000 0.000) 0.813 5.815 ( 1.503 0.000 0.000) 1.503 5.941 ( -11.372 0.000 0.000) 11.372 6.062 ( 1.027 0.000 0.000) 1.027 6.117 ( -12.641 0.000 0.000) 12.641 6.161 ( -16.033 0.000 0.000) 16.033 6.288 ( 26.694 0.000 0.000) 26.694 6.539 ( -3.552 0.000 0.000) 3.552 6.554 ( 0.136 0.000 0.000) 0.136 6.567 ( -7.030 0.000 0.000) 7.030 6.611 ( 10.927 0.000 0.000) 10.927 6.692 ( 3.378 0.000 0.000) 3.378 6.925 ( -0.193 0.000 0.000) 0.193 6.945 ( -0.716 0.000 0.000) 0.716 6.982 ( 16.624 0.000 0.000) 16.624 7.004 ( -15.387 0.000 0.000) 15.387 7.019 ( -2.605 0.000 0.000) 2.605 7.067 ( -3.248 0.000 0.000) 3.248 7.249 ( -0.942 0.000 0.000) 0.942 7.410 ( 1.366 0.000 0.000) 1.366 7.637 ( -1.715 0.000 0.000) 1.715 7.641 ( -5.456 0.000 0.000) 5.456 7.661 ( 2.965 0.000 0.000) 2.965 7.672 ( -8.064 0.000 0.000) 8.064 7.729 ( 0.894 0.000 0.000) 0.894 7.810 ( 8.505 0.000 0.000) 8.505 7.909 ( -12.617 0.000 0.000) 12.617 7.928 ( -8.881 0.000 0.000) 8.881 8.024 ( -18.024 0.000 0.000) 18.024 8.050 ( -1.945 0.000 0.000) 1.945 8.101 ( -14.191 0.000 0.000) 14.191 8.195 ( 5.221 0.000 0.000) 5.221 8.454 ( -8.226 0.000 0.000) 8.226 8.589 ( -4.245 0.000 0.000) 4.245 8.641 ( 6.151 0.000 0.000) 6.151 8.711 ( 0.195 0.000 0.000) 0.195 8.712 ( 6.490 0.000 0.000) 6.490 8.719 ( -6.458 0.000 0.000) 6.458 8.789 ( -9.139 0.000 0.000) 9.139 8.925 ( 15.494 0.000 0.000) 15.494 9.165 ( -8.906 0.000 0.000) 8.906 9.213 ( 5.476 0.000 0.000) 5.476 9.235 ( 1.394 0.000 0.000) 1.394 9.336 ( 0.663 0.000 0.000) 0.663 9.515 ( 2.455 0.000 0.000) 2.455 9.567 ( -10.814 0.000 0.000) 10.814 9.612 ( -15.989 0.000 0.000) 15.989 9.627 ( -19.447 0.000 0.000) 19.447 9.700 ( -4.672 0.000 0.000) 4.672 9.752 ( -0.250 0.000 0.000) 0.250 9.788 ( 2.529 0.000 0.000) 2.529 9.861 ( 7.254 0.000 0.000) 7.254 9.918 ( -7.496 0.000 0.000) 7.496 10.063 ( -2.141 0.000 0.000) 2.141 10.178 ( -0.831 0.000 0.000) 0.831 10.208 ( -5.702 0.000 0.000) 5.702 10.210 ( 5.809 0.000 0.000) 5.809 10.276 ( -6.658 0.000 0.000) 6.658 10.325 ( -7.572 0.000 0.000) 7.572 10.349 ( 0.137 0.000 0.000) 0.137 10.367 ( 1.033 0.000 0.000) 1.033 10.396 ( -16.142 0.000 0.000) 16.142 10.556 ( -7.018 0.000 0.000) 7.018 10.629 ( 0.764 0.000 0.000) 0.764 10.659 ( 0.554 0.000 0.000) 0.554 10.721 ( 4.666 0.000 0.000) 4.666 10.743 ( 7.518 0.000 0.000) 7.518 10.843 ( -11.179 0.000 0.000) 11.179 10.860 ( 5.318 0.000 0.000) 5.318 10.975 ( -9.342 0.000 0.000) 9.342 11.019 ( 8.772 0.000 0.000) 8.772 11.068 ( -4.080 0.000 0.000) 4.080 11.104 ( 6.203 0.000 0.000) 6.203 11.134 ( -6.580 0.000 0.000) 6.580 11.155 ( 2.965 0.000 0.000) 2.965 11.339 ( -13.656 0.000 0.000) 13.656 11.351 ( -5.759 0.000 0.000) 5.759 11.408 ( 5.926 0.000 0.000) 5.926 11.500 ( -2.497 0.000 0.000) 2.497 11.933 ( -6.679 0.000 0.000) 6.679 12.041 ( 9.956 0.000 0.000) 9.956 12.101 ( -4.429 0.000 0.000) 4.429 12.203 ( 18.579 0.000 0.000) 18.579 12.297 ( -11.442 0.000 0.000) 11.442 12.345 ( -3.612 0.000 0.000) 3.612 12.366 ( 8.281 0.000 0.000) 8.281 12.474 ( 9.009 0.000 0.000) 9.009 12.492 ( 5.483 0.000 0.000) 5.483 12.647 ( 2.877 0.000 0.000) 2.877 12.672 ( 11.109 0.000 0.000) 11.109 12.673 ( -3.621 0.000 0.000) 3.621 12.689 ( 2.736 0.000 0.000) 2.736 12.770 ( -2.476 0.000 0.000) 2.476 12.892 ( 6.026 0.000 0.000) 6.026 12.935 ( -1.967 0.000 0.000) 1.967 13.034 ( 8.897 0.000 0.000) 8.897 13.047 ( 0.913 0.000 0.000) 0.913 13.058 ( -1.185 0.000 0.000) 1.185 13.306 ( -6.708 0.000 0.000) 6.708 13.397 ( 4.560 0.000 0.000) 4.560 13.410 ( 1.694 0.000 0.000) 1.694 13.627 ( 2.083 0.000 0.000) 2.083 13.754 ( -8.023 0.000 0.000) 8.023 13.846 ( 3.316 0.000 0.000) 3.316 13.873 ( 8.277 0.000 0.000) 8.277 13.885 ( -3.800 0.000 0.000) 3.800 14.045 ( 3.746 0.000 0.000) 3.746 14.083 ( -4.464 0.000 0.000) 4.464 14.145 ( -13.027 0.000 0.000) 13.027 14.164 ( -1.929 0.000 0.000) 1.929 14.221 ( -1.670 0.000 0.000) 1.670 14.355 ( 0.201 0.000 0.000) 0.201 14.523 ( -8.387 0.000 0.000) 8.387 14.589 ( -13.693 0.000 0.000) 13.693 14.598 ( -16.006 0.000 0.000) 16.006 14.799 ( 0.025 0.000 0.000) 0.025 14.804 ( -1.536 0.000 0.000) 1.536 15.007 ( 1.588 0.000 0.000) 1.588 15.132 ( -1.766 0.000 0.000) 1.766 15.289 ( -2.427 0.000 0.000) 2.427 15.510 ( -8.274 0.000 0.000) 8.274 15.717 ( 10.414 0.000 0.000) 10.414 15.750 ( 2.555 0.000 0.000) 2.555 15.782 ( -2.355 0.000 0.000) 2.355 15.789 ( 1.867 0.000 0.000) 1.867 15.904 ( 4.379 0.000 0.000) 4.379 16.043 ( 7.611 0.000 0.000) 7.611 16.218 ( -6.765 0.000 0.000) 6.765 16.246 ( 8.381 0.000 0.000) 8.381 16.542 ( -15.626 0.000 0.000) 15.626 16.549 ( -0.400 0.000 0.000) 0.400 16.578 ( -7.155 0.000 0.000) 7.155 16.713 ( -1.594 0.000 0.000) 1.594 16.893 ( 4.203 0.000 0.000) 4.203 16.963 ( 4.630 0.000 0.000) 4.630 17.192 ( 1.835 0.000 0.000) 1.835 17.211 ( 0.309 0.000 0.000) 0.309 17.235 ( -4.749 0.000 0.000) 4.749 17.267 ( -3.926 0.000 0.000) 3.926 17.389 ( 2.684 0.000 0.000) 2.684 17.403 ( 5.915 0.000 0.000) 5.915 17.416 ( 10.783 0.000 0.000) 10.783 17.541 ( 2.988 0.000 0.000) 2.988 17.606 ( 6.615 0.000 0.000) 6.615 17.701 ( 1.560 0.000 0.000) 1.560 17.776 ( -4.006 0.000 0.000) 4.006 17.787 ( -1.104 0.000 0.000) 1.104 17.996 ( -6.321 0.000 0.000) 6.321 18.157 ( 6.482 0.000 0.000) 6.482 18.483 ( -1.259 0.000 0.000) 1.259 19.260 ( 14.836 0.000 0.000) 14.836 19.781 ( -2.005 0.000 0.000) 2.005 19.799 ( 0.343 0.000 0.000) 0.343 19.847 ( 4.558 0.000 0.000) 4.558 19.879 ( 3.961 0.000 0.000) 3.961 19.916 ( 0.709 0.000 0.000) 0.709 20.467 ( 3.188 0.000 0.000) 3.188 21.292 ( -7.195 0.000 0.000) 7.195 23.575 ( -8.577 0.000 0.000) 8.577 23.579 ( -4.398 0.000 0.000) 4.398 23.793 ( -5.944 0.000 0.000) 5.944 23.797 ( -7.201 0.000 0.000) 7.201 24.584 ( 0.882 0.000 0.000) 0.882 24.641 ( 4.380 0.000 0.000) 4.380 24.880 ( -0.937 0.000 0.000) 0.937 24.911 ( 2.160 0.000 0.000) 2.160 24.933 ( 1.258 0.000 0.000) 1.258 25.075 ( 2.404 0.000 0.000) 2.404 25.346 ( 16.684 0.000 0.000) 16.684 25.495 ( 1.474 0.000 0.000) 1.474 25.691 ( -0.922 0.000 0.000) 0.922 26.027 ( -3.365 0.000 0.000) 3.365 26.255 ( 1.166 0.000 0.000) 1.166 26.259 ( -5.942 0.000 0.000) 5.942 26.398 ( 1.474 0.000 0.000) 1.474 26.417 ( -8.041 0.000 0.000) 8.041 26.978 ( -0.348 0.000 0.000) 0.348 27.316 ( -5.319 0.000 0.000) 5.319 29.163 ( 2.474 0.000 0.000) 2.474 29.313 ( 0.713 0.000 0.000) 0.713 29.421 ( -0.703 0.000 0.000) 0.703 29.605 ( -3.786 0.000 0.000) 3.786 30.062 ( 11.181 0.000 0.000) 11.181 30.138 ( 8.706 0.000 0.000) 8.706 30.444 ( 9.697 0.000 0.000) 9.697 30.926 ( 0.908 0.000 0.000) 0.908 35.299 ( -1.445 0.000 0.000) 1.445 35.450 ( -4.974 0.000 0.000) 4.974 35.464 ( -3.179 0.000 0.000) 3.179 35.508 ( -3.974 0.000 0.000) 3.974 97.473 ( 1.552 0.000 0.000) 1.552 97.485 ( 1.282 0.000 0.000) 1.282 97.758 ( -2.313 0.000 0.000) 2.313 97.783 ( -2.016 0.000 0.000) 2.016 100.024 ( 1.786 0.000 0.000) 1.786 100.383 ( -3.273 0.000 0.000) 3.273 100.516 ( -2.563 0.000 0.000) 2.563 100.521 ( -7.635 0.000 0.000) 7.635 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 48.893 0.000 0.000) 48.893 2.970 ( 45.789 0.000 0.000) 45.789 4.302 ( 17.777 0.000 0.000) 17.777 4.419 ( 22.297 0.000 0.000) 22.297 4.529 ( 28.868 0.000 0.000) 28.868 4.850 ( -0.793 0.000 0.000) 0.793 4.949 ( 22.133 0.000 0.000) 22.133 5.005 ( -4.087 0.000 0.000) 4.087 5.044 ( 63.114 0.000 0.000) 63.114 5.600 ( 13.937 0.000 0.000) 13.937 5.710 ( -8.818 0.000 0.000) 8.818 5.740 ( -8.029 0.000 0.000) 8.029 5.785 ( -1.334 0.000 0.000) 1.334 5.863 ( 9.132 0.000 0.000) 9.132 5.881 ( -13.181 0.000 0.000) 13.181 5.909 ( -5.986 0.000 0.000) 5.986 6.018 ( 17.799 0.000 0.000) 17.799 6.187 ( 9.761 0.000 0.000) 9.761 6.224 ( -25.523 0.000 0.000) 25.523 6.392 ( -8.794 0.000 0.000) 8.794 6.511 ( 0.113 0.000 0.000) 0.113 6.654 ( -14.211 0.000 0.000) 14.211 6.686 ( 2.866 0.000 0.000) 2.866 6.749 ( 0.072 0.000 0.000) 0.072 6.831 ( 24.693 0.000 0.000) 24.693 6.889 ( -6.948 0.000 0.000) 6.948 6.922 ( -1.170 0.000 0.000) 1.170 6.924 ( -5.057 0.000 0.000) 5.057 7.186 ( -0.905 0.000 0.000) 0.905 7.436 ( 20.388 0.000 0.000) 20.388 7.452 ( 23.998 0.000 0.000) 23.998 7.468 ( -5.804 0.000 0.000) 5.804 7.503 ( -8.384 0.000 0.000) 8.384 7.515 ( -1.022 0.000 0.000) 1.022 7.543 ( -5.016 0.000 0.000) 5.016 7.637 ( -11.630 0.000 0.000) 11.630 7.693 ( -1.868 0.000 0.000) 1.868 7.735 ( -1.522 0.000 0.000) 1.522 7.745 ( -10.127 0.000 0.000) 10.127 7.785 ( -5.732 0.000 0.000) 5.732 7.816 ( 6.369 0.000 0.000) 6.369 7.824 ( -10.957 0.000 0.000) 10.957 8.153 ( 7.735 0.000 0.000) 7.735 8.157 ( -15.154 0.000 0.000) 15.154 8.175 ( -9.704 0.000 0.000) 9.704 8.373 ( -15.027 0.000 0.000) 15.027 8.600 ( -1.299 0.000 0.000) 1.299 8.635 ( -0.086 0.000 0.000) 0.086 8.758 ( -4.042 0.000 0.000) 4.042 8.769 ( 3.724 0.000 0.000) 3.724 8.823 ( 5.794 0.000 0.000) 5.794 8.958 ( -17.745 0.000 0.000) 17.745 8.974 ( -16.080 0.000 0.000) 16.080 9.039 ( -10.631 0.000 0.000) 10.631 9.282 ( -8.054 0.000 0.000) 8.054 9.343 ( -2.475 0.000 0.000) 2.475 9.413 ( 4.007 0.000 0.000) 4.007 9.417 ( 1.324 0.000 0.000) 1.324 9.445 ( 0.563 0.000 0.000) 0.563 9.591 ( 4.107 0.000 0.000) 4.107 9.634 ( -3.931 0.000 0.000) 3.931 9.770 ( -4.543 0.000 0.000) 4.543 9.797 ( 4.738 0.000 0.000) 4.738 9.911 ( 5.188 0.000 0.000) 5.188 9.920 ( -3.253 0.000 0.000) 3.253 10.020 ( 0.583 0.000 0.000) 0.583 10.021 ( -13.404 0.000 0.000) 13.404 10.133 ( -10.742 0.000 0.000) 10.742 10.166 ( 0.131 0.000 0.000) 0.131 10.182 ( -1.471 0.000 0.000) 1.471 10.211 ( -1.406 0.000 0.000) 1.406 10.228 ( -14.399 0.000 0.000) 14.399 10.284 ( 1.512 0.000 0.000) 1.512 10.374 ( -0.664 0.000 0.000) 0.664 10.452 ( -3.162 0.000 0.000) 3.162 10.627 ( -10.287 0.000 0.000) 10.287 10.653 ( 0.339 0.000 0.000) 0.339 10.656 ( -1.485 0.000 0.000) 1.485 10.757 ( -2.470 0.000 0.000) 2.470 10.809 ( -8.421 0.000 0.000) 8.421 10.873 ( 4.592 0.000 0.000) 4.592 10.899 ( -2.212 0.000 0.000) 2.212 11.016 ( -4.665 0.000 0.000) 4.665 11.031 ( 1.869 0.000 0.000) 1.869 11.132 ( -0.764 0.000 0.000) 0.764 11.202 ( 5.161 0.000 0.000) 5.161 11.228 ( 8.114 0.000 0.000) 8.114 11.237 ( 4.968 0.000 0.000) 4.968 11.302 ( 1.562 0.000 0.000) 1.562 11.469 ( -0.708 0.000 0.000) 0.708 11.580 ( 7.529 0.000 0.000) 7.529 11.779 ( -9.002 0.000 0.000) 9.002 12.033 ( -0.538 0.000 0.000) 0.538 12.098 ( -7.838 0.000 0.000) 7.838 12.235 ( 9.400 0.000 0.000) 9.400 12.276 ( -3.626 0.000 0.000) 3.626 12.315 ( -3.633 0.000 0.000) 3.633 12.567 ( -11.991 0.000 0.000) 11.991 12.568 ( -6.127 0.000 0.000) 6.127 12.572 ( 7.314 0.000 0.000) 7.314 12.574 ( 1.765 0.000 0.000) 1.765 12.688 ( -8.902 0.000 0.000) 8.902 12.692 ( 2.308 0.000 0.000) 2.308 12.708 ( 11.120 0.000 0.000) 11.120 12.832 ( 4.322 0.000 0.000) 4.322 12.883 ( -0.753 0.000 0.000) 0.753 13.001 ( 5.023 0.000 0.000) 5.023 13.016 ( -3.155 0.000 0.000) 3.155 13.063 ( 8.015 0.000 0.000) 8.015 13.197 ( -4.799 0.000 0.000) 4.799 13.284 ( 12.040 0.000 0.000) 12.040 13.510 ( 6.493 0.000 0.000) 6.493 13.521 ( 10.238 0.000 0.000) 10.238 13.598 ( -7.124 0.000 0.000) 7.124 13.708 ( 5.552 0.000 0.000) 5.552 13.778 ( -5.629 0.000 0.000) 5.629 13.913 ( -0.242 0.000 0.000) 0.242 13.916 ( 3.613 0.000 0.000) 3.613 13.966 ( -7.066 0.000 0.000) 7.066 14.012 ( -2.744 0.000 0.000) 2.744 14.075 ( -9.147 0.000 0.000) 9.147 14.132 ( -1.193 0.000 0.000) 1.193 14.166 ( -2.843 0.000 0.000) 2.843 14.337 ( -0.263 0.000 0.000) 0.263 14.346 ( -1.316 0.000 0.000) 1.316 14.429 ( -2.210 0.000 0.000) 2.210 14.521 ( 2.576 0.000 0.000) 2.576 14.786 ( -0.209 0.000 0.000) 0.209 14.788 ( -3.544 0.000 0.000) 3.544 15.017 ( 0.433 0.000 0.000) 0.433 15.157 ( 5.166 0.000 0.000) 5.166 15.267 ( -0.244 0.000 0.000) 0.244 15.355 ( -5.103 0.000 0.000) 5.103 15.660 ( -9.445 0.000 0.000) 9.445 15.774 ( -0.597 0.000 0.000) 0.597 15.849 ( 3.286 0.000 0.000) 3.286 15.891 ( 5.369 0.000 0.000) 5.369 15.905 ( 0.041 0.000 0.000) 0.041 16.027 ( -10.539 0.000 0.000) 10.539 16.210 ( -16.209 0.000 0.000) 16.209 16.304 ( 13.302 0.000 0.000) 13.302 16.434 ( 8.780 0.000 0.000) 8.780 16.485 ( -2.636 0.000 0.000) 2.636 16.558 ( 0.829 0.000 0.000) 0.829 16.695 ( -1.064 0.000 0.000) 1.064 16.924 ( -0.490 0.000 0.000) 0.490 17.048 ( 4.163 0.000 0.000) 4.163 17.136 ( -4.267 0.000 0.000) 4.267 17.202 ( -1.985 0.000 0.000) 1.985 17.212 ( -1.649 0.000 0.000) 1.649 17.270 ( 5.742 0.000 0.000) 5.742 17.451 ( 3.809 0.000 0.000) 3.809 17.504 ( 3.973 0.000 0.000) 3.973 17.569 ( 4.760 0.000 0.000) 4.760 17.596 ( 2.555 0.000 0.000) 2.555 17.672 ( -1.841 0.000 0.000) 1.841 17.711 ( -0.451 0.000 0.000) 0.451 17.725 ( 1.508 0.000 0.000) 1.508 17.745 ( -2.874 0.000 0.000) 2.874 17.899 ( -3.580 0.000 0.000) 3.580 18.294 ( 7.293 0.000 0.000) 7.293 18.483 ( 1.361 0.000 0.000) 1.361 19.394 ( -0.723 0.000 0.000) 0.723 19.638 ( -10.988 0.000 0.000) 10.988 19.835 ( 2.047 0.000 0.000) 2.047 19.917 ( -0.491 0.000 0.000) 0.491 19.932 ( 3.894 0.000 0.000) 3.894 19.954 ( 3.450 0.000 0.000) 3.450 20.638 ( 13.159 0.000 0.000) 13.159 21.200 ( -2.311 0.000 0.000) 2.311 23.455 ( -3.831 0.000 0.000) 3.831 23.510 ( -2.635 0.000 0.000) 2.635 23.660 ( -6.322 0.000 0.000) 6.322 23.666 ( -6.610 0.000 0.000) 6.610 24.608 ( 1.611 0.000 0.000) 1.611 24.744 ( 6.068 0.000 0.000) 6.068 24.834 ( -3.103 0.000 0.000) 3.103 24.942 ( 1.441 0.000 0.000) 1.441 24.979 ( 2.522 0.000 0.000) 2.522 25.093 ( -0.417 0.000 0.000) 0.417 25.530 ( 2.139 0.000 0.000) 2.139 25.624 ( 10.459 0.000 0.000) 10.459 25.669 ( -1.267 0.000 0.000) 1.267 25.950 ( -4.163 0.000 0.000) 4.163 26.134 ( -6.447 0.000 0.000) 6.447 26.243 ( -9.295 0.000 0.000) 9.295 26.313 ( 4.957 0.000 0.000) 4.957 26.438 ( 2.439 0.000 0.000) 2.439 26.976 ( 0.002 0.000 0.000) 0.002 27.196 ( -6.549 0.000 0.000) 6.549 29.218 ( 3.052 0.000 0.000) 3.052 29.331 ( 1.174 0.000 0.000) 1.174 29.404 ( -1.130 0.000 0.000) 1.130 29.527 ( -3.941 0.000 0.000) 3.941 30.287 ( 11.106 0.000 0.000) 11.106 30.345 ( 12.105 0.000 0.000) 12.105 30.602 ( 5.981 0.000 0.000) 5.981 30.931 ( -0.762 0.000 0.000) 0.762 35.274 ( -0.949 0.000 0.000) 0.949 35.359 ( -3.970 0.000 0.000) 3.970 35.395 ( -3.637 0.000 0.000) 3.637 35.425 ( -4.258 0.000 0.000) 4.258 97.509 ( 2.038 0.000 0.000) 2.038 97.517 ( 2.002 0.000 0.000) 2.002 97.708 ( -2.736 0.000 0.000) 2.736 97.736 ( -2.724 0.000 0.000) 2.724 100.068 ( 2.796 0.000 0.000) 2.796 100.323 ( -2.870 0.000 0.000) 2.870 100.389 ( -5.497 0.000 0.000) 5.497 100.446 ( -4.378 0.000 0.000) 4.378 ======================= Grid point 4 (5/72) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.801 ( 38.523 0.000 0.000) 38.523 3.830 ( 46.956 0.000 0.000) 46.956 4.646 ( 16.574 0.000 0.000) 16.574 4.659 ( 0.582 0.000 0.000) 0.582 4.859 ( 3.742 0.000 0.000) 3.742 4.971 ( 18.352 0.000 0.000) 18.352 5.056 ( 3.643 0.000 0.000) 3.643 5.227 ( 7.257 0.000 0.000) 7.257 5.429 ( -16.957 0.000 0.000) 16.957 5.479 ( -32.889 0.000 0.000) 32.889 5.606 ( -10.491 0.000 0.000) 10.491 5.657 ( -10.676 0.000 0.000) 10.676 5.710 ( 3.112 0.000 0.000) 3.112 5.891 ( 1.391 0.000 0.000) 1.391 5.926 ( 17.402 0.000 0.000) 17.402 6.071 ( 20.018 0.000 0.000) 20.018 6.107 ( 14.800 0.000 0.000) 14.800 6.272 ( -2.893 0.000 0.000) 2.893 6.342 ( 1.213 0.000 0.000) 1.213 6.493 ( 12.208 0.000 0.000) 12.208 6.554 ( 6.419 0.000 0.000) 6.419 6.558 ( 4.802 0.000 0.000) 4.802 6.672 ( -3.180 0.000 0.000) 3.180 6.730 ( -5.990 0.000 0.000) 5.990 6.751 ( 16.582 0.000 0.000) 16.582 6.914 ( 0.803 0.000 0.000) 0.803 6.918 ( 0.958 0.000 0.000) 0.958 7.072 ( -8.914 0.000 0.000) 8.914 7.105 ( -1.416 0.000 0.000) 1.416 7.179 ( -16.563 0.000 0.000) 16.563 7.344 ( -11.019 0.000 0.000) 11.019 7.446 ( -0.251 0.000 0.000) 0.251 7.465 ( -8.889 0.000 0.000) 8.889 7.493 ( -0.189 0.000 0.000) 0.189 7.531 ( -9.244 0.000 0.000) 9.244 7.575 ( -2.388 0.000 0.000) 2.388 7.643 ( -2.860 0.000 0.000) 2.860 7.667 ( 2.204 0.000 0.000) 2.204 7.709 ( -0.191 0.000 0.000) 0.191 7.723 ( 3.142 0.000 0.000) 3.142 7.791 ( 11.400 0.000 0.000) 11.400 7.971 ( -8.303 0.000 0.000) 8.303 8.042 ( -15.220 0.000 0.000) 15.220 8.246 ( 1.167 0.000 0.000) 1.167 8.327 ( 22.838 0.000 0.000) 22.838 8.397 ( 31.724 0.000 0.000) 31.724 8.514 ( -14.842 0.000 0.000) 14.842 8.556 ( -7.675 0.000 0.000) 7.675 8.627 ( -0.880 0.000 0.000) 0.880 8.706 ( -1.480 0.000 0.000) 1.480 8.758 ( 6.065 0.000 0.000) 6.065 8.774 ( -8.307 0.000 0.000) 8.307 8.826 ( -5.296 0.000 0.000) 5.296 8.951 ( 5.137 0.000 0.000) 5.137 9.170 ( -5.659 0.000 0.000) 5.659 9.263 ( -23.358 0.000 0.000) 23.358 9.373 ( 5.087 0.000 0.000) 5.087 9.429 ( -6.607 0.000 0.000) 6.607 9.477 ( 3.934 0.000 0.000) 3.934 9.581 ( 5.694 0.000 0.000) 5.694 9.608 ( -3.732 0.000 0.000) 3.732 9.686 ( -3.915 0.000 0.000) 3.915 9.754 ( -11.506 0.000 0.000) 11.506 9.810 ( -6.152 0.000 0.000) 6.152 9.856 ( -2.023 0.000 0.000) 2.023 9.905 ( -7.769 0.000 0.000) 7.769 9.986 ( -8.478 0.000 0.000) 8.478 10.031 ( -5.342 0.000 0.000) 5.342 10.050 ( 4.458 0.000 0.000) 4.458 10.168 ( -1.139 0.000 0.000) 1.139 10.172 ( 0.292 0.000 0.000) 0.292 10.256 ( -4.613 0.000 0.000) 4.613 10.290 ( 7.666 0.000 0.000) 7.666 10.305 ( -3.728 0.000 0.000) 3.728 10.415 ( -1.339 0.000 0.000) 1.339 10.446 ( -6.720 0.000 0.000) 6.720 10.620 ( -6.767 0.000 0.000) 6.767 10.628 ( -2.753 0.000 0.000) 2.753 10.631 ( 0.078 0.000 0.000) 0.078 10.692 ( -2.510 0.000 0.000) 2.510 10.888 ( 1.607 0.000 0.000) 1.607 10.927 ( 1.228 0.000 0.000) 1.228 10.976 ( 0.899 0.000 0.000) 0.899 11.080 ( 1.193 0.000 0.000) 1.193 11.198 ( 5.499 0.000 0.000) 5.499 11.308 ( 5.173 0.000 0.000) 5.173 11.342 ( 0.200 0.000 0.000) 0.200 11.343 ( 5.525 0.000 0.000) 5.525 11.396 ( 7.707 0.000 0.000) 7.707 11.486 ( 2.374 0.000 0.000) 2.374 11.595 ( -8.955 0.000 0.000) 8.955 11.606 ( -3.743 0.000 0.000) 3.743 11.983 ( -4.143 0.000 0.000) 4.143 12.091 ( 3.799 0.000 0.000) 3.799 12.152 ( -13.328 0.000 0.000) 13.328 12.200 ( -3.912 0.000 0.000) 3.912 12.322 ( -9.666 0.000 0.000) 9.666 12.339 ( -9.799 0.000 0.000) 9.799 12.390 ( 5.943 0.000 0.000) 5.943 12.524 ( 3.805 0.000 0.000) 3.805 12.569 ( -1.778 0.000 0.000) 1.778 12.720 ( -0.558 0.000 0.000) 0.558 12.765 ( 3.254 0.000 0.000) 3.254 12.835 ( 0.715 0.000 0.000) 0.715 12.952 ( 7.543 0.000 0.000) 7.543 12.953 ( -2.450 0.000 0.000) 2.450 13.005 ( 12.898 0.000 0.000) 12.898 13.035 ( -3.467 0.000 0.000) 3.467 13.162 ( 3.405 0.000 0.000) 3.405 13.267 ( 7.719 0.000 0.000) 7.719 13.319 ( -7.519 0.000 0.000) 7.519 13.421 ( -8.242 0.000 0.000) 8.242 13.683 ( 7.880 0.000 0.000) 7.880 13.742 ( 0.763 0.000 0.000) 0.763 13.755 ( 9.612 0.000 0.000) 9.612 13.806 ( 3.373 0.000 0.000) 3.373 13.853 ( -4.084 0.000 0.000) 4.084 13.913 ( 0.090 0.000 0.000) 0.090 13.941 ( 3.325 0.000 0.000) 3.325 13.965 ( 0.856 0.000 0.000) 0.856 13.975 ( -1.119 0.000 0.000) 1.119 14.136 ( 2.111 0.000 0.000) 2.111 14.139 ( 0.895 0.000 0.000) 0.895 14.297 ( -3.725 0.000 0.000) 3.725 14.366 ( -4.649 0.000 0.000) 4.649 14.436 ( 5.236 0.000 0.000) 5.236 14.551 ( -0.457 0.000 0.000) 0.457 14.640 ( -10.530 0.000 0.000) 10.530 14.830 ( 5.174 0.000 0.000) 5.174 15.037 ( 0.759 0.000 0.000) 0.759 15.251 ( 1.403 0.000 0.000) 1.403 15.273 ( 0.633 0.000 0.000) 0.633 15.394 ( 9.545 0.000 0.000) 9.545 15.472 ( -7.561 0.000 0.000) 7.561 15.681 ( -9.996 0.000 0.000) 9.996 15.761 ( -10.786 0.000 0.000) 10.786 15.903 ( 2.307 0.000 0.000) 2.307 15.912 ( 0.432 0.000 0.000) 0.432 15.971 ( -6.181 0.000 0.000) 6.181 16.002 ( 0.733 0.000 0.000) 0.733 16.462 ( 0.626 0.000 0.000) 0.626 16.508 ( 7.439 0.000 0.000) 7.439 16.569 ( 4.358 0.000 0.000) 4.358 16.579 ( 0.078 0.000 0.000) 0.078 16.672 ( 0.594 0.000 0.000) 0.594 16.886 ( -3.707 0.000 0.000) 3.707 17.082 ( -1.388 0.000 0.000) 1.388 17.126 ( 3.557 0.000 0.000) 3.557 17.132 ( -4.261 0.000 0.000) 4.261 17.194 ( -0.534 0.000 0.000) 0.534 17.394 ( 6.453 0.000 0.000) 6.453 17.534 ( 4.189 0.000 0.000) 4.189 17.548 ( 0.152 0.000 0.000) 0.152 17.607 ( -0.365 0.000 0.000) 0.365 17.624 ( -1.384 0.000 0.000) 1.384 17.639 ( 1.777 0.000 0.000) 1.777 17.690 ( -1.367 0.000 0.000) 1.367 17.691 ( -2.478 0.000 0.000) 2.478 17.772 ( 2.228 0.000 0.000) 2.228 17.847 ( -2.025 0.000 0.000) 2.025 18.435 ( 6.810 0.000 0.000) 6.810 18.525 ( 2.275 0.000 0.000) 2.275 19.310 ( -5.442 0.000 0.000) 5.442 19.407 ( -11.023 0.000 0.000) 11.023 19.870 ( 1.508 0.000 0.000) 1.508 19.906 ( -0.554 0.000 0.000) 0.554 19.993 ( 2.303 0.000 0.000) 2.303 20.006 ( 1.734 0.000 0.000) 1.734 20.903 ( 12.355 0.000 0.000) 12.355 21.169 ( -1.970 0.000 0.000) 1.970 23.415 ( -0.520 0.000 0.000) 0.520 23.469 ( -1.900 0.000 0.000) 1.900 23.556 ( -4.016 0.000 0.000) 4.016 23.562 ( -3.540 0.000 0.000) 3.540 24.648 ( 2.460 0.000 0.000) 2.460 24.769 ( -3.431 0.000 0.000) 3.431 24.869 ( 6.289 0.000 0.000) 6.289 24.975 ( 1.978 0.000 0.000) 1.978 25.009 ( 0.141 0.000 0.000) 0.141 25.066 ( -2.104 0.000 0.000) 2.104 25.576 ( 2.402 0.000 0.000) 2.402 25.644 ( -1.231 0.000 0.000) 1.231 25.757 ( 4.085 0.000 0.000) 4.085 25.875 ( -3.392 0.000 0.000) 3.392 26.024 ( -4.265 0.000 0.000) 4.265 26.076 ( -7.111 0.000 0.000) 7.111 26.425 ( 5.423 0.000 0.000) 5.423 26.483 ( 1.858 0.000 0.000) 1.858 26.979 ( 0.421 0.000 0.000) 0.421 27.076 ( -5.268 0.000 0.000) 5.268 29.279 ( 3.096 0.000 0.000) 3.096 29.359 ( 1.668 0.000 0.000) 1.668 29.376 ( -1.709 0.000 0.000) 1.709 29.455 ( -3.370 0.000 0.000) 3.370 30.485 ( 8.898 0.000 0.000) 8.898 30.581 ( 11.342 0.000 0.000) 11.342 30.667 ( 0.491 0.000 0.000) 0.491 30.887 ( -3.923 0.000 0.000) 3.923 35.267 ( 0.297 0.000 0.000) 0.297 35.303 ( -1.617 0.000 0.000) 1.617 35.329 ( -2.915 0.000 0.000) 2.915 35.349 ( -3.394 0.000 0.000) 3.394 97.551 ( 2.325 0.000 0.000) 2.325 97.563 ( 2.678 0.000 0.000) 2.678 97.653 ( -2.810 0.000 0.000) 2.810 97.679 ( -3.035 0.000 0.000) 3.035 100.133 ( 3.741 0.000 0.000) 3.741 100.270 ( -2.600 0.000 0.000) 2.600 100.313 ( -2.317 0.000 0.000) 2.317 100.356 ( -4.330 0.000 0.000) 4.330 ======================= Grid point 5 (6/72) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.428 ( -23.727 0.000 0.000) 23.727 4.428 ( 23.727 0.000 0.000) 23.727 4.712 ( -42.856 0.000 0.000) 42.856 4.712 ( 42.856 0.000 0.000) 42.856 4.906 ( -7.521 0.000 0.000) 7.521 4.906 ( 7.521 0.000 0.000) 7.521 5.120 ( -11.575 0.000 0.000) 11.575 5.120 ( 11.575 0.000 0.000) 11.575 5.231 ( -7.060 0.000 0.000) 7.060 5.231 ( 7.060 0.000 0.000) 7.060 5.504 ( -2.354 0.000 0.000) 2.354 5.504 ( 2.354 0.000 0.000) 2.354 5.855 ( -6.451 0.000 0.000) 6.451 5.855 ( 6.451 0.000 0.000) 6.451 6.192 ( -6.625 0.000 0.000) 6.625 6.192 ( 6.625 0.000 0.000) 6.625 6.280 ( -3.422 0.000 0.000) 3.422 6.280 ( 3.422 0.000 0.000) 3.422 6.382 ( -11.928 0.000 0.000) 11.928 6.382 ( 11.928 0.000 0.000) 11.928 6.646 ( -2.176 0.000 0.000) 2.176 6.646 ( 2.176 0.000 0.000) 2.176 6.752 ( -11.510 0.000 0.000) 11.510 6.752 ( 11.510 0.000 0.000) 11.510 6.826 ( -14.502 0.000 0.000) 14.502 6.826 ( 14.502 0.000 0.000) 14.502 6.925 ( -2.062 0.000 0.000) 2.062 6.925 ( 2.062 0.000 0.000) 2.062 7.061 ( -11.745 0.000 0.000) 11.745 7.061 ( 11.745 0.000 0.000) 11.745 7.298 ( -8.689 0.000 0.000) 8.689 7.298 ( 8.689 0.000 0.000) 8.689 7.492 ( -2.995 0.000 0.000) 2.995 7.492 ( 2.995 0.000 0.000) 2.995 7.561 ( -6.964 0.000 0.000) 6.964 7.561 ( 6.964 0.000 0.000) 6.964 7.661 ( -8.661 0.000 0.000) 8.661 7.661 ( 8.661 0.000 0.000) 8.661 7.708 ( -13.297 0.000 0.000) 13.297 7.708 ( 13.297 0.000 0.000) 13.297 7.836 ( -6.286 0.000 0.000) 6.286 7.836 ( 6.286 0.000 0.000) 6.286 8.281 ( -5.959 0.000 0.000) 5.959 8.281 ( 5.959 0.000 0.000) 5.959 8.352 ( -26.238 0.000 0.000) 26.238 8.352 ( 26.238 0.000 0.000) 26.238 8.395 ( -8.021 0.000 0.000) 8.021 8.395 ( 8.021 0.000 0.000) 8.021 8.715 ( -0.327 0.000 0.000) 0.327 8.715 ( 0.327 0.000 0.000) 0.327 8.903 ( -9.410 0.000 0.000) 9.410 8.903 ( 9.410 0.000 0.000) 9.410 8.945 ( -6.187 0.000 0.000) 6.187 8.945 ( 6.187 0.000 0.000) 6.187 9.054 ( -5.633 0.000 0.000) 5.633 9.054 ( 5.633 0.000 0.000) 5.633 9.388 ( -12.218 0.000 0.000) 12.218 9.388 ( 12.218 0.000 0.000) 12.218 9.517 ( -7.248 0.000 0.000) 7.248 9.517 ( 7.248 0.000 0.000) 7.248 9.602 ( -3.208 0.000 0.000) 3.208 9.602 ( 3.208 0.000 0.000) 3.208 9.695 ( -5.522 0.000 0.000) 5.522 9.695 ( 5.522 0.000 0.000) 5.522 9.819 ( -0.052 0.000 0.000) 0.052 9.819 ( 0.052 0.000 0.000) 0.052 9.873 ( -0.993 0.000 0.000) 0.993 9.873 ( 0.993 0.000 0.000) 0.993 10.129 ( -2.975 0.000 0.000) 2.975 10.129 ( 2.975 0.000 0.000) 2.975 10.185 ( -1.452 0.000 0.000) 1.452 10.185 ( 1.452 0.000 0.000) 1.452 10.348 ( -4.856 0.000 0.000) 4.856 10.348 ( 4.856 0.000 0.000) 4.856 10.386 ( -2.135 0.000 0.000) 2.135 10.386 ( 2.135 0.000 0.000) 2.135 10.579 ( -1.154 0.000 0.000) 1.154 10.579 ( 1.154 0.000 0.000) 1.154 10.659 ( -1.655 0.000 0.000) 1.655 10.659 ( 1.655 0.000 0.000) 1.655 10.924 ( -1.367 0.000 0.000) 1.367 10.924 ( 1.367 0.000 0.000) 1.367 11.043 ( -4.473 0.000 0.000) 4.473 11.043 ( 4.473 0.000 0.000) 4.473 11.299 ( -4.153 0.000 0.000) 4.153 11.299 ( 4.153 0.000 0.000) 4.153 11.393 ( -2.818 0.000 0.000) 2.818 11.393 ( 2.818 0.000 0.000) 2.818 11.500 ( -2.273 0.000 0.000) 2.273 11.500 ( 2.273 0.000 0.000) 2.273 11.514 ( -3.224 0.000 0.000) 3.224 11.514 ( 3.224 0.000 0.000) 3.224 11.962 ( -3.627 0.000 0.000) 3.627 11.962 ( 3.627 0.000 0.000) 3.627 12.138 ( -2.209 0.000 0.000) 2.209 12.138 ( 2.209 0.000 0.000) 2.209 12.241 ( -1.119 0.000 0.000) 1.119 12.241 ( 1.119 0.000 0.000) 1.119 12.501 ( -5.200 0.000 0.000) 5.200 12.501 ( 5.200 0.000 0.000) 5.200 12.650 ( -6.323 0.000 0.000) 6.323 12.650 ( 6.323 0.000 0.000) 6.323 12.817 ( -2.234 0.000 0.000) 2.234 12.817 ( 2.234 0.000 0.000) 2.234 12.954 ( -2.855 0.000 0.000) 2.855 12.954 ( 2.855 0.000 0.000) 2.855 13.096 ( -6.384 0.000 0.000) 6.384 13.096 ( 6.384 0.000 0.000) 6.384 13.271 ( -6.857 0.000 0.000) 6.857 13.271 ( 6.857 0.000 0.000) 6.857 13.271 ( -5.732 0.000 0.000) 5.732 13.271 ( 5.732 0.000 0.000) 5.732 13.749 ( -0.622 0.000 0.000) 0.622 13.749 ( 0.622 0.000 0.000) 0.622 13.805 ( -3.739 0.000 0.000) 3.739 13.805 ( 3.739 0.000 0.000) 3.739 13.936 ( -3.117 0.000 0.000) 3.117 13.936 ( 3.117 0.000 0.000) 3.117 13.965 ( -0.023 0.000 0.000) 0.023 13.965 ( 0.023 0.000 0.000) 0.023 14.071 ( -11.947 0.000 0.000) 11.947 14.071 ( 11.947 0.000 0.000) 11.947 14.209 ( -4.741 0.000 0.000) 4.741 14.209 ( 4.741 0.000 0.000) 4.741 14.411 ( -11.207 0.000 0.000) 11.207 14.411 ( 11.207 0.000 0.000) 11.207 14.514 ( -2.905 0.000 0.000) 2.905 14.514 ( 2.905 0.000 0.000) 2.905 14.971 ( -7.528 0.000 0.000) 7.528 14.971 ( 7.528 0.000 0.000) 7.528 15.273 ( -0.909 0.000 0.000) 0.909 15.273 ( 0.909 0.000 0.000) 0.909 15.472 ( -7.908 0.000 0.000) 7.908 15.472 ( 7.908 0.000 0.000) 7.908 15.580 ( -8.502 0.000 0.000) 8.502 15.580 ( 8.502 0.000 0.000) 8.502 15.922 ( -0.733 0.000 0.000) 0.733 15.922 ( 0.733 0.000 0.000) 0.733 15.961 ( -3.717 0.000 0.000) 3.717 15.961 ( 3.717 0.000 0.000) 3.717 16.517 ( -4.412 0.000 0.000) 4.412 16.517 ( 4.412 0.000 0.000) 4.412 16.596 ( -1.592 0.000 0.000) 1.592 16.596 ( 1.592 0.000 0.000) 1.592 16.771 ( -7.273 0.000 0.000) 7.273 16.771 ( 7.273 0.000 0.000) 7.273 17.077 ( -1.019 0.000 0.000) 1.019 17.077 ( 1.019 0.000 0.000) 1.019 17.177 ( -1.580 0.000 0.000) 1.580 17.177 ( 1.580 0.000 0.000) 1.580 17.504 ( -4.355 0.000 0.000) 4.355 17.504 ( 4.355 0.000 0.000) 4.355 17.586 ( -1.340 0.000 0.000) 1.340 17.586 ( 1.340 0.000 0.000) 1.340 17.641 ( -2.615 0.000 0.000) 2.615 17.641 ( 2.615 0.000 0.000) 2.615 17.666 ( -1.149 0.000 0.000) 1.149 17.666 ( 1.149 0.000 0.000) 1.149 17.810 ( -1.834 0.000 0.000) 1.834 17.810 ( 1.834 0.000 0.000) 1.834 18.533 ( -2.382 0.000 0.000) 2.382 18.533 ( 2.382 0.000 0.000) 2.382 19.265 ( -2.352 0.000 0.000) 2.352 19.265 ( 2.352 0.000 0.000) 2.352 19.893 ( -0.857 0.000 0.000) 0.857 19.893 ( 0.857 0.000 0.000) 0.857 20.019 ( -0.349 0.000 0.000) 0.349 20.019 ( 0.349 0.000 0.000) 0.349 21.090 ( -6.595 0.000 0.000) 6.595 21.090 ( 6.595 0.000 0.000) 6.595 23.429 ( -1.813 0.000 0.000) 1.813 23.429 ( 1.813 0.000 0.000) 1.813 23.523 ( -0.427 0.000 0.000) 0.427 23.523 ( 0.427 0.000 0.000) 0.427 24.703 ( -3.154 0.000 0.000) 3.154 24.703 ( 3.154 0.000 0.000) 3.154 24.973 ( -3.886 0.000 0.000) 3.886 24.973 ( 3.886 0.000 0.000) 3.886 25.019 ( -2.485 0.000 0.000) 2.485 25.019 ( 2.485 0.000 0.000) 2.485 25.617 ( -1.703 0.000 0.000) 1.703 25.617 ( 1.703 0.000 0.000) 1.703 25.817 ( -2.671 0.000 0.000) 2.671 25.817 ( 2.671 0.000 0.000) 2.671 25.990 ( -1.286 0.000 0.000) 1.286 25.990 ( 1.286 0.000 0.000) 1.286 26.493 ( -1.269 0.000 0.000) 1.269 26.493 ( 1.269 0.000 0.000) 1.269 27.002 ( -2.288 0.000 0.000) 2.288 27.002 ( 2.288 0.000 0.000) 2.288 29.335 ( -2.551 0.000 0.000) 2.551 29.335 ( 2.551 0.000 0.000) 2.551 29.398 ( -2.419 0.000 0.000) 2.419 29.398 ( 2.419 0.000 0.000) 2.419 30.623 ( -4.868 0.000 0.000) 4.868 30.623 ( 4.868 0.000 0.000) 4.868 30.772 ( -7.889 0.000 0.000) 7.889 30.772 ( 7.889 0.000 0.000) 7.889 35.286 ( -1.545 0.000 0.000) 1.545 35.286 ( 1.545 0.000 0.000) 1.545 35.300 ( -1.343 0.000 0.000) 1.343 35.300 ( 1.343 0.000 0.000) 1.343 97.600 ( -2.638 0.000 0.000) 2.638 97.600 ( 2.638 0.000 0.000) 2.638 97.619 ( -3.003 0.000 0.000) 3.003 97.619 ( 3.003 0.000 0.000) 3.003 100.209 ( -3.809 0.000 0.000) 3.809 100.209 ( 3.809 0.000 0.000) 3.809 100.299 ( -1.068 0.000 0.000) 1.068 100.299 ( 1.068 0.000 0.000) 1.068 ======================= Grid point 11 (7/72) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.912 ( 0.000 50.772 0.000) 50.772 0.915 ( 0.000 50.839 0.000) 50.839 1.681 ( 0.000 93.288 0.000) 93.288 2.668 ( 0.000 -46.346 0.000) 46.346 2.671 ( 0.000 -46.686 0.000) 46.686 4.229 ( 0.000 38.906 0.000) 38.906 4.241 ( 0.000 36.498 0.000) 36.498 4.848 ( 0.000 -77.556 0.000) 77.556 4.915 ( 0.000 4.889 0.000) 4.889 5.305 ( 0.000 -14.643 0.000) 14.643 5.402 ( 0.000 0.755 0.000) 0.755 5.497 ( 0.000 -14.488 0.000) 14.488 5.521 ( 0.000 -13.231 0.000) 13.231 5.533 ( 0.000 -5.955 0.000) 5.955 5.879 ( 0.000 7.898 0.000) 7.898 5.926 ( 0.000 4.133 0.000) 4.133 6.101 ( 0.000 -1.855 0.000) 1.855 6.252 ( 0.000 -15.078 0.000) 15.078 6.290 ( 0.000 -19.001 0.000) 19.001 6.334 ( 0.000 -11.334 0.000) 11.334 6.416 ( 0.000 8.448 0.000) 8.448 6.606 ( 0.000 -0.359 0.000) 0.359 6.866 ( 0.000 1.962 0.000) 1.962 6.931 ( 0.000 -0.124 0.000) 0.124 7.028 ( 0.000 20.977 0.000) 20.977 7.042 ( 0.000 1.161 0.000) 1.161 7.070 ( 0.000 5.193 0.000) 5.193 7.159 ( 0.000 0.266 0.000) 0.266 7.250 ( 0.000 14.555 0.000) 14.555 7.366 ( 0.000 -3.839 0.000) 3.839 7.452 ( 0.000 14.424 0.000) 14.424 7.589 ( 0.000 0.697 0.000) 0.697 7.611 ( 0.000 39.797 0.000) 39.797 7.613 ( 0.000 6.493 0.000) 6.493 7.706 ( 0.000 -6.627 0.000) 6.627 7.771 ( 0.000 0.600 0.000) 0.600 7.785 ( 0.000 0.495 0.000) 0.495 7.827 ( 0.000 2.177 0.000) 2.177 7.949 ( 0.000 -6.456 0.000) 6.456 7.960 ( 0.000 1.961 0.000) 1.961 8.142 ( 0.000 10.364 0.000) 10.364 8.213 ( 0.000 -6.405 0.000) 6.405 8.237 ( 0.000 0.519 0.000) 0.519 8.338 ( 0.000 9.482 0.000) 9.482 8.357 ( 0.000 -10.338 0.000) 10.338 8.381 ( 0.000 -5.609 0.000) 5.609 8.564 ( 0.000 3.243 0.000) 3.243 8.624 ( 0.000 6.239 0.000) 6.239 8.640 ( 0.000 14.130 0.000) 14.130 8.722 ( 0.000 -15.158 0.000) 15.158 8.736 ( 0.000 -2.305 0.000) 2.305 8.901 ( 0.000 -5.579 0.000) 5.579 9.114 ( 0.000 -8.056 0.000) 8.056 9.140 ( 0.000 3.748 0.000) 3.748 9.425 ( 0.000 -8.864 0.000) 8.864 9.459 ( 0.000 3.079 0.000) 3.079 9.497 ( 0.000 -0.081 0.000) 0.081 9.553 ( 0.000 7.425 0.000) 7.425 9.589 ( 0.000 3.780 0.000) 3.780 9.676 ( 0.000 -4.512 0.000) 4.512 9.724 ( 0.000 -2.310 0.000) 2.310 9.910 ( 0.000 0.890 0.000) 0.890 9.922 ( 0.000 -8.788 0.000) 8.788 10.004 ( 0.000 -1.798 0.000) 1.798 10.099 ( 0.000 -10.160 0.000) 10.160 10.113 ( 0.000 5.540 0.000) 5.540 10.198 ( 0.000 0.743 0.000) 0.743 10.219 ( 0.000 -1.804 0.000) 1.804 10.224 ( 0.000 -2.346 0.000) 2.346 10.275 ( 0.000 -6.745 0.000) 6.745 10.311 ( 0.000 3.438 0.000) 3.438 10.361 ( 0.000 -4.161 0.000) 4.161 10.440 ( 0.000 0.042 0.000) 0.042 10.538 ( 0.000 -5.829 0.000) 5.829 10.632 ( 0.000 -0.945 0.000) 0.945 10.686 ( 0.000 -2.795 0.000) 2.795 10.690 ( 0.000 3.386 0.000) 3.386 10.769 ( 0.000 -2.539 0.000) 2.539 10.825 ( 0.000 7.183 0.000) 7.183 10.894 ( 0.000 4.222 0.000) 4.222 10.899 ( 0.000 6.502 0.000) 6.502 10.915 ( 0.000 10.395 0.000) 10.395 11.063 ( 0.000 -3.708 0.000) 3.708 11.128 ( 0.000 2.004 0.000) 2.004 11.200 ( 0.000 2.522 0.000) 2.522 11.282 ( 0.000 -1.749 0.000) 1.749 11.402 ( 0.000 -1.898 0.000) 1.898 11.477 ( 0.000 1.857 0.000) 1.857 11.535 ( 0.000 3.253 0.000) 3.253 11.622 ( 0.000 2.482 0.000) 2.482 11.623 ( 0.000 3.540 0.000) 3.540 11.624 ( 0.000 -12.647 0.000) 12.647 11.843 ( 0.000 -8.097 0.000) 8.097 11.873 ( 0.000 -3.838 0.000) 3.838 12.117 ( 0.000 6.933 0.000) 6.933 12.133 ( 0.000 2.153 0.000) 2.153 12.193 ( 0.000 -0.941 0.000) 0.941 12.363 ( 0.000 -8.399 0.000) 8.399 12.365 ( 0.000 -4.996 0.000) 4.996 12.373 ( 0.000 3.391 0.000) 3.391 12.447 ( 0.000 0.030 0.000) 0.030 12.486 ( 0.000 -14.869 0.000) 14.869 12.540 ( 0.000 -1.211 0.000) 1.211 12.675 ( 0.000 -8.505 0.000) 8.505 12.760 ( 0.000 8.560 0.000) 8.560 12.958 ( 0.000 0.443 0.000) 0.443 12.993 ( 0.000 9.237 0.000) 9.237 13.040 ( 0.000 -3.773 0.000) 3.773 13.242 ( 0.000 -5.321 0.000) 5.321 13.314 ( 0.000 0.852 0.000) 0.852 13.459 ( 0.000 10.403 0.000) 10.403 13.470 ( 0.000 0.784 0.000) 0.784 13.508 ( 0.000 -0.875 0.000) 0.875 13.525 ( 0.000 6.639 0.000) 6.639 13.665 ( 0.000 2.823 0.000) 2.823 13.712 ( 0.000 7.247 0.000) 7.247 13.754 ( 0.000 -1.318 0.000) 1.318 13.954 ( 0.000 -2.858 0.000) 2.858 14.020 ( 0.000 4.821 0.000) 4.821 14.217 ( 0.000 -3.527 0.000) 3.527 14.320 ( 0.000 0.266 0.000) 0.266 14.337 ( 0.000 -0.291 0.000) 0.291 14.389 ( 0.000 11.911 0.000) 11.911 14.598 ( 0.000 0.847 0.000) 0.847 14.701 ( 0.000 1.124 0.000) 1.124 14.748 ( 0.000 -2.459 0.000) 2.459 14.751 ( 0.000 -1.054 0.000) 1.054 14.758 ( 0.000 -1.176 0.000) 1.176 14.860 ( 0.000 -1.224 0.000) 1.224 14.884 ( 0.000 -12.524 0.000) 12.524 15.147 ( 0.000 9.695 0.000) 9.695 15.458 ( 0.000 4.341 0.000) 4.341 15.548 ( 0.000 -2.898 0.000) 2.898 15.598 ( 0.000 1.209 0.000) 1.209 15.628 ( 0.000 6.218 0.000) 6.218 15.670 ( 0.000 -9.232 0.000) 9.232 15.760 ( 0.000 6.537 0.000) 6.537 15.922 ( 0.000 -7.796 0.000) 7.796 15.964 ( 0.000 -5.083 0.000) 5.083 16.098 ( 0.000 -11.473 0.000) 11.473 16.350 ( 0.000 -0.581 0.000) 0.581 16.356 ( 0.000 14.831 0.000) 14.831 16.369 ( 0.000 -5.777 0.000) 5.777 16.755 ( 0.000 -7.048 0.000) 7.048 16.809 ( 0.000 3.411 0.000) 3.411 16.883 ( 0.000 -0.155 0.000) 0.155 16.998 ( 0.000 5.087 0.000) 5.087 17.070 ( 0.000 5.393 0.000) 5.393 17.172 ( 0.000 -3.188 0.000) 3.188 17.187 ( 0.000 2.597 0.000) 2.597 17.200 ( 0.000 -1.227 0.000) 1.227 17.243 ( 0.000 3.451 0.000) 3.451 17.359 ( 0.000 0.633 0.000) 0.633 17.378 ( 0.000 -6.266 0.000) 6.266 17.555 ( 0.000 2.130 0.000) 2.130 17.569 ( 0.000 0.692 0.000) 0.692 17.618 ( 0.000 0.498 0.000) 0.498 17.782 ( 0.000 -3.846 0.000) 3.846 18.038 ( 0.000 2.994 0.000) 2.994 18.164 ( 0.000 -3.218 0.000) 3.218 18.403 ( 0.000 1.547 0.000) 1.547 18.475 ( 0.000 -1.593 0.000) 1.593 18.623 ( 0.000 0.585 0.000) 0.585 18.658 ( 0.000 -0.861 0.000) 0.861 19.739 ( 0.000 0.814 0.000) 0.814 19.776 ( 0.000 -0.795 0.000) 0.795 19.780 ( 0.000 1.191 0.000) 1.191 19.860 ( 0.000 -2.546 0.000) 2.546 21.545 ( 0.000 10.040 0.000) 10.040 21.956 ( 0.000 -8.275 0.000) 8.275 23.888 ( 0.000 -0.336 0.000) 0.336 23.889 ( 0.000 -0.410 0.000) 0.410 23.908 ( 0.000 0.476 0.000) 0.476 23.909 ( 0.000 0.446 0.000) 0.446 24.555 ( 0.000 0.261 0.000) 0.261 24.568 ( 0.000 -0.302 0.000) 0.302 24.718 ( 0.000 0.243 0.000) 0.243 24.732 ( 0.000 -0.347 0.000) 0.347 24.862 ( 0.000 1.535 0.000) 1.535 24.937 ( 0.000 -1.845 0.000) 1.845 24.955 ( 0.000 1.014 0.000) 1.014 24.993 ( 0.000 -0.664 0.000) 0.664 25.498 ( 0.000 3.416 0.000) 3.416 25.667 ( 0.000 -4.227 0.000) 4.227 26.334 ( 0.000 0.873 0.000) 0.873 26.376 ( 0.000 -0.945 0.000) 0.945 26.427 ( 0.000 3.760 0.000) 3.760 26.565 ( 0.000 -2.525 0.000) 2.525 27.423 ( 0.000 0.343 0.000) 0.343 27.439 ( 0.000 -0.338 0.000) 0.338 29.128 ( 0.000 1.955 0.000) 1.955 29.249 ( 0.000 -4.163 0.000) 4.163 29.495 ( 0.000 5.139 0.000) 5.139 29.664 ( 0.000 -3.080 0.000) 3.080 29.971 ( 0.000 0.358 0.000) 0.358 29.988 ( 0.000 -0.375 0.000) 0.375 30.170 ( 0.000 0.286 0.000) 0.286 30.182 ( 0.000 -0.263 0.000) 0.263 35.535 ( 0.000 0.374 0.000) 0.374 35.560 ( 0.000 -0.859 0.000) 0.859 35.574 ( 0.000 0.351 0.000) 0.351 35.581 ( 0.000 0.143 0.000) 0.143 97.444 ( 0.000 0.270 0.000) 0.270 97.457 ( 0.000 -0.297 0.000) 0.297 97.813 ( 0.000 0.166 0.000) 0.166 97.820 ( 0.000 -0.134 0.000) 0.134 100.375 ( 0.000 1.712 0.000) 1.712 100.465 ( 0.000 -2.451 0.000) 2.451 100.673 ( 0.000 1.550 0.000) 1.550 100.722 ( 0.000 -0.788 0.000) 0.788 ======================= Grid point 12 (8/72) ======================= q-point: ( 0.10 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.374 ( 38.903 33.542 0.000) 51.367 1.466 ( 38.284 39.364 0.000) 54.910 2.325 ( 60.687 60.990 0.000) 86.039 2.852 ( 17.853 -43.100 0.000) 46.651 2.954 ( 27.131 -42.784 0.000) 50.661 4.320 ( 7.907 34.768 0.000) 35.655 4.429 ( 19.587 36.729 0.000) 41.625 4.918 ( 0.143 5.071 0.000) 5.073 5.034 ( 18.809 -71.057 0.000) 73.504 5.389 ( 1.634 2.331 0.000) 2.847 5.426 ( 7.439 -11.179 0.000) 13.428 5.461 ( -5.419 -9.236 0.000) 10.709 5.577 ( 3.651 -8.734 0.000) 9.466 5.650 ( 14.950 -19.505 0.000) 24.576 5.767 ( -8.044 4.257 0.000) 9.101 5.940 ( 0.542 3.954 0.000) 3.991 5.979 ( -7.418 -6.360 0.000) 9.772 6.157 ( -11.412 -4.490 0.000) 12.264 6.278 ( 3.211 -14.823 0.000) 15.166 6.311 ( -6.311 -12.558 0.000) 14.054 6.435 ( 0.621 6.744 0.000) 6.773 6.605 ( 0.216 0.232 0.000) 0.317 6.737 ( -11.688 4.374 0.000) 12.480 6.896 ( -4.153 -1.848 0.000) 4.546 6.958 ( -3.604 19.328 0.000) 19.661 6.980 ( 0.625 5.166 0.000) 5.203 7.114 ( 1.477 5.448 0.000) 5.645 7.187 ( -1.153 -3.892 0.000) 4.059 7.272 ( -2.449 11.867 0.000) 12.117 7.355 ( -3.606 0.378 0.000) 3.626 7.455 ( -4.382 1.231 0.000) 4.552 7.504 ( -7.785 -5.713 0.000) 9.657 7.511 ( -8.095 7.254 0.000) 10.869 7.631 ( -2.544 13.970 0.000) 14.200 7.690 ( 10.159 12.121 0.000) 15.815 7.797 ( -5.195 -1.655 0.000) 5.452 7.815 ( 3.457 3.799 0.000) 5.137 7.858 ( 4.082 14.154 0.000) 14.731 7.995 ( 6.170 -7.985 0.000) 10.091 8.041 ( 4.511 1.771 0.000) 4.846 8.141 ( -4.495 3.320 0.000) 5.588 8.151 ( -2.238 3.979 0.000) 4.565 8.262 ( -1.954 -0.319 0.000) 1.980 8.334 ( -0.865 5.793 0.000) 5.858 8.391 ( 1.163 1.555 0.000) 1.941 8.407 ( 3.546 -7.281 0.000) 8.098 8.532 ( -0.562 1.462 0.000) 1.566 8.654 ( -0.624 -6.149 0.000) 6.181 8.669 ( 4.906 6.819 0.000) 8.400 8.757 ( 0.094 3.205 0.000) 3.207 8.827 ( 6.524 -3.382 0.000) 7.348 8.946 ( 5.176 -5.458 0.000) 7.522 9.089 ( -3.606 -5.030 0.000) 6.189 9.163 ( 2.505 -3.474 0.000) 4.283 9.320 ( -6.063 9.984 0.000) 11.680 9.339 ( -8.074 -6.790 0.000) 10.550 9.476 ( -3.013 0.481 0.000) 3.051 9.635 ( 3.252 3.215 0.000) 4.573 9.651 ( 5.188 -5.755 0.000) 7.748 9.726 ( -0.170 -1.301 0.000) 1.312 9.739 ( 4.953 -5.335 0.000) 7.280 9.868 ( -4.628 2.301 0.000) 5.169 9.893 ( -10.693 1.924 0.000) 10.865 9.912 ( -4.368 -7.870 0.000) 9.001 10.091 ( 3.304 -7.574 0.000) 8.263 10.092 ( -6.514 -1.106 0.000) 6.607 10.149 ( 0.783 -2.008 0.000) 2.155 10.161 ( -0.547 -2.295 0.000) 2.359 10.230 ( -4.330 4.633 0.000) 6.342 10.310 ( 0.482 -4.602 0.000) 4.627 10.342 ( -4.953 1.872 0.000) 5.295 10.378 ( -0.911 0.852 0.000) 1.247 10.448 ( 3.334 -2.978 0.000) 4.470 10.572 ( -8.211 -4.333 0.000) 9.284 10.598 ( 0.880 1.575 0.000) 1.804 10.615 ( -3.404 -2.211 0.000) 4.059 10.638 ( -0.908 -2.289 0.000) 2.462 10.685 ( 6.056 -1.650 0.000) 6.277 10.753 ( -10.598 4.305 0.000) 11.439 10.783 ( -6.607 5.351 0.000) 8.502 10.918 ( 1.574 4.368 0.000) 4.643 10.975 ( 1.970 1.910 0.000) 2.744 11.054 ( -7.843 -0.167 0.000) 7.845 11.064 ( 1.850 -2.040 0.000) 2.754 11.176 ( -1.468 1.498 0.000) 2.097 11.255 ( -2.603 -0.545 0.000) 2.660 11.358 ( -14.452 8.917 0.000) 16.981 11.393 ( 0.614 1.784 0.000) 1.886 11.487 ( -7.916 2.593 0.000) 8.330 11.581 ( -4.988 1.830 0.000) 5.313 11.687 ( -7.202 3.871 0.000) 8.177 11.717 ( 7.822 -11.702 0.000) 14.076 11.781 ( 14.042 0.465 0.000) 14.050 12.048 ( 16.912 -9.975 0.000) 19.634 12.103 ( -2.285 3.486 0.000) 4.168 12.165 ( -2.189 -0.746 0.000) 2.313 12.226 ( 11.284 0.022 0.000) 11.284 12.323 ( 2.540 -2.551 0.000) 3.600 12.391 ( 1.340 2.451 0.000) 2.794 12.446 ( -0.482 -0.006 0.000) 0.482 12.497 ( 8.642 -5.233 0.000) 10.103 12.564 ( 3.022 -11.567 0.000) 11.955 12.579 ( 2.790 -0.193 0.000) 2.797 12.666 ( -0.532 -5.005 0.000) 5.033 12.816 ( 5.266 5.126 0.000) 7.349 12.864 ( -9.686 9.460 0.000) 13.539 12.920 ( -7.839 2.432 0.000) 8.208 12.980 ( 2.602 -1.010 0.000) 2.792 13.138 ( -0.813 7.510 0.000) 7.554 13.297 ( -0.621 7.281 0.000) 7.308 13.412 ( -2.177 12.767 0.000) 12.951 13.437 ( -3.009 0.109 0.000) 3.011 13.444 ( -5.859 -0.193 0.000) 5.862 13.649 ( -1.344 2.598 0.000) 2.925 13.676 ( 7.484 -1.628 0.000) 7.659 13.758 ( -0.293 -2.767 0.000) 2.782 13.833 ( 8.622 5.430 0.000) 10.189 13.969 ( -4.170 6.023 0.000) 7.325 13.974 ( 3.428 -3.135 0.000) 4.645 14.167 ( -4.189 -3.119 0.000) 5.223 14.228 ( -4.679 2.226 0.000) 5.181 14.260 ( -3.352 4.534 0.000) 5.639 14.333 ( -0.083 -1.697 0.000) 1.699 14.484 ( -19.378 -5.856 0.000) 20.244 14.682 ( -4.619 -6.917 0.000) 8.318 14.697 ( -5.088 -1.660 0.000) 5.352 14.764 ( 4.047 1.294 0.000) 4.249 14.771 ( -3.864 2.515 0.000) 4.610 14.879 ( 7.536 -3.239 0.000) 8.202 14.972 ( -2.845 -5.484 0.000) 6.178 15.203 ( 0.311 1.340 0.000) 1.376 15.371 ( -8.500 -3.103 0.000) 9.049 15.516 ( -1.403 1.508 0.000) 2.059 15.592 ( -4.617 1.734 0.000) 4.932 15.627 ( 7.691 -2.258 0.000) 8.015 15.709 ( 3.662 -6.454 0.000) 7.421 15.793 ( 4.012 5.734 0.000) 6.998 15.868 ( -3.046 1.068 0.000) 3.228 15.976 ( 1.232 -4.591 0.000) 4.754 16.175 ( 0.686 -13.787 0.000) 13.804 16.323 ( -2.867 13.383 0.000) 13.687 16.398 ( 5.398 -8.582 0.000) 10.138 16.527 ( 4.935 -9.466 0.000) 10.676 16.716 ( -6.077 -7.545 0.000) 9.688 16.717 ( -0.231 7.530 0.000) 7.534 16.940 ( -1.610 4.717 0.000) 4.984 16.981 ( 3.836 -2.182 0.000) 4.413 17.033 ( -3.597 2.172 0.000) 4.202 17.131 ( -3.041 -5.439 0.000) 6.232 17.189 ( 4.507 -2.389 0.000) 5.101 17.278 ( 6.525 2.737 0.000) 7.076 17.369 ( 4.859 3.075 0.000) 5.750 17.392 ( 0.342 -1.712 0.000) 1.746 17.422 ( 4.064 1.110 0.000) 4.213 17.514 ( -0.436 3.239 0.000) 3.269 17.629 ( 2.885 -1.972 0.000) 3.495 17.655 ( 1.383 10.238 0.000) 10.331 17.730 ( -1.565 -0.689 0.000) 1.710 17.905 ( -5.956 1.227 0.000) 6.081 18.014 ( -7.187 -2.547 0.000) 7.625 18.227 ( -0.302 9.958 0.000) 9.962 18.505 ( -2.606 -3.031 0.000) 3.997 18.898 ( 19.581 0.797 0.000) 19.597 19.200 ( 26.828 -25.178 0.000) 36.793 19.773 ( 3.193 0.688 0.000) 3.266 19.787 ( 0.695 1.361 0.000) 1.528 19.804 ( 2.757 -0.705 0.000) 2.845 19.872 ( 1.108 -2.485 0.000) 2.721 21.181 ( -31.091 31.265 0.000) 44.093 21.502 ( -13.704 4.262 0.000) 14.352 23.691 ( -6.913 1.857 0.000) 7.158 23.762 ( -10.227 -1.389 0.000) 10.321 23.885 ( -2.933 0.562 0.000) 2.986 23.914 ( -4.338 -0.727 0.000) 4.399 24.572 ( 1.138 0.152 0.000) 1.148 24.577 ( 1.525 -0.099 0.000) 1.528 24.831 ( 6.609 0.469 0.000) 6.626 24.872 ( 1.016 1.081 0.000) 1.483 24.929 ( -0.761 -1.455 0.000) 1.642 24.944 ( 4.242 -5.071 0.000) 6.612 25.113 ( 12.573 3.832 0.000) 13.144 25.504 ( 0.587 3.265 0.000) 3.318 25.514 ( 30.595 -28.926 0.000) 42.104 25.665 ( -0.203 -4.018 0.000) 4.023 26.294 ( -2.678 2.467 0.000) 3.641 26.389 ( -3.735 3.554 0.000) 5.155 26.391 ( 1.247 -1.580 0.000) 2.013 26.521 ( -4.446 -2.414 0.000) 5.059 27.221 ( -12.463 11.165 0.000) 16.733 27.382 ( -3.937 -1.390 0.000) 4.175 29.141 ( 1.308 1.857 0.000) 2.271 29.255 ( 0.648 -3.906 0.000) 3.960 29.487 ( -0.812 4.728 0.000) 4.798 29.641 ( -2.181 -2.809 0.000) 3.556 29.928 ( 3.887 3.746 0.000) 5.399 30.005 ( 3.959 -0.674 0.000) 4.015 30.281 ( 9.770 2.939 0.000) 10.202 30.604 ( 17.525 -18.940 0.000) 25.804 35.431 ( -6.620 6.142 0.000) 9.030 35.514 ( -2.477 -0.174 0.000) 2.483 35.537 ( -3.208 0.046 0.000) 3.208 35.565 ( -2.394 -0.800 0.000) 2.524 97.452 ( 0.793 0.244 0.000) 0.829 97.464 ( 0.670 -0.269 0.000) 0.722 97.798 ( -1.385 0.269 0.000) 1.411 97.810 ( -1.043 -0.240 0.000) 1.070 100.199 ( -9.697 11.882 0.000) 15.336 100.418 ( -3.970 -3.143 0.000) 5.064 100.582 ( -2.787 3.794 0.000) 4.707 100.665 ( -5.591 -0.281 0.000) 5.598 ======================= Grid point 13 (9/72) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.221 ( 45.283 20.261 0.000) 49.609 2.249 ( 41.997 31.322 0.000) 52.391 3.313 ( 27.754 -35.734 0.000) 45.246 3.550 ( 35.411 -28.925 0.000) 45.723 3.722 ( 71.026 22.254 0.000) 74.431 4.531 ( 12.726 28.964 0.000) 31.636 4.911 ( -1.070 4.578 0.000) 4.702 4.922 ( 27.670 32.609 0.000) 42.767 5.238 ( -13.809 1.460 0.000) 13.886 5.437 ( 8.031 -11.525 0.000) 14.047 5.521 ( 16.651 -24.200 0.000) 29.375 5.642 ( 23.505 -12.575 0.000) 26.657 5.643 ( 1.551 -12.068 0.000) 12.167 5.717 ( 0.770 -4.558 0.000) 4.623 5.834 ( -5.756 -5.977 0.000) 8.298 5.975 ( -7.020 -2.743 0.000) 7.537 6.006 ( 10.968 -5.497 0.000) 12.268 6.096 ( 25.763 -22.967 0.000) 34.514 6.117 ( -9.904 -3.843 0.000) 10.623 6.348 ( -10.228 14.496 0.000) 17.741 6.373 ( 5.604 -13.568 0.000) 14.680 6.566 ( -5.864 0.858 0.000) 5.926 6.583 ( -1.758 2.732 0.000) 3.249 6.814 ( -4.016 -9.758 0.000) 10.552 6.903 ( -1.804 13.014 0.000) 13.138 6.980 ( -20.863 6.000 0.000) 21.708 6.986 ( -3.623 4.909 0.000) 6.101 7.047 ( -10.866 4.397 0.000) 11.722 7.101 ( -4.115 2.558 0.000) 4.845 7.242 ( -7.318 -0.064 0.000) 7.318 7.357 ( -5.985 -7.231 0.000) 9.387 7.411 ( 0.498 -15.397 0.000) 15.405 7.511 ( -4.693 -8.247 0.000) 9.488 7.534 ( 0.601 11.898 0.000) 11.913 7.701 ( -1.041 -1.385 0.000) 1.732 7.730 ( -6.464 9.667 0.000) 11.629 7.935 ( 4.765 6.846 0.000) 8.341 7.953 ( 0.222 12.538 0.000) 12.539 8.014 ( -4.376 -3.054 0.000) 5.336 8.019 ( -4.180 7.990 0.000) 9.018 8.100 ( -10.533 5.883 0.000) 12.064 8.127 ( -2.961 5.281 0.000) 6.055 8.138 ( 2.563 15.927 0.000) 16.132 8.279 ( -0.440 8.703 0.000) 8.714 8.327 ( -1.082 6.440 0.000) 6.530 8.432 ( -1.355 -10.328 0.000) 10.416 8.555 ( -5.493 -8.169 0.000) 9.844 8.650 ( -5.112 1.258 0.000) 5.265 8.754 ( -0.919 -1.494 0.000) 1.754 8.792 ( 8.877 2.692 0.000) 9.276 8.925 ( -8.326 7.439 0.000) 11.165 8.972 ( 9.170 2.431 0.000) 9.487 9.107 ( 5.365 -6.350 0.000) 8.313 9.163 ( -5.558 -0.695 0.000) 5.601 9.243 ( 2.541 -8.004 0.000) 8.398 9.260 ( -2.415 1.993 0.000) 3.132 9.365 ( -7.265 -8.019 0.000) 10.821 9.578 ( -13.146 0.965 0.000) 13.182 9.609 ( -15.870 -0.386 0.000) 15.875 9.654 ( -2.671 -10.370 0.000) 10.708 9.735 ( -1.435 -0.403 0.000) 1.491 9.772 ( -2.277 5.850 0.000) 6.278 9.779 ( 0.988 -1.468 0.000) 1.770 9.875 ( 4.586 0.581 0.000) 4.623 9.961 ( -4.693 4.723 0.000) 6.658 10.108 ( -5.367 4.193 0.000) 6.811 10.151 ( -0.870 -7.884 0.000) 7.932 10.162 ( -3.271 -4.057 0.000) 5.212 10.233 ( -2.492 4.260 0.000) 4.936 10.264 ( 6.907 -0.057 0.000) 6.907 10.288 ( -6.603 1.051 0.000) 6.686 10.348 ( -5.033 1.407 0.000) 5.226 10.358 ( 1.171 -0.859 0.000) 1.452 10.423 ( -14.893 2.446 0.000) 15.092 10.515 ( -7.442 -3.600 0.000) 8.267 10.565 ( 5.816 -10.605 0.000) 12.095 10.680 ( 1.336 0.525 0.000) 1.435 10.701 ( -0.305 -0.263 0.000) 0.403 10.710 ( 4.505 2.362 0.000) 5.087 10.795 ( 0.163 -1.130 0.000) 1.141 10.902 ( -2.568 2.064 0.000) 3.295 10.969 ( -0.894 -5.455 0.000) 5.528 10.995 ( 1.774 -1.112 0.000) 2.094 11.068 ( -1.658 -3.886 0.000) 4.225 11.112 ( -6.552 7.747 0.000) 10.146 11.149 ( -2.642 2.057 0.000) 3.348 11.203 ( -1.269 0.224 0.000) 1.289 11.272 ( -11.839 -2.280 0.000) 12.056 11.451 ( -7.942 6.152 0.000) 10.046 11.494 ( 9.378 9.253 0.000) 13.174 11.542 ( -3.787 3.364 0.000) 5.066 11.851 ( 3.116 -7.659 0.000) 8.269 12.083 ( 1.918 2.747 0.000) 3.350 12.090 ( 7.303 -6.547 0.000) 9.808 12.108 ( -3.747 0.713 0.000) 3.814 12.354 ( 5.183 -4.759 0.000) 7.036 12.368 ( -2.904 2.433 0.000) 3.788 12.379 ( 15.337 -5.496 0.000) 16.292 12.477 ( 3.404 -1.907 0.000) 3.902 12.482 ( -0.984 3.967 0.000) 4.087 12.488 ( 9.087 -0.639 0.000) 9.109 12.617 ( -0.333 -1.529 0.000) 1.565 12.660 ( 0.376 -2.002 0.000) 2.037 12.705 ( -6.867 -3.981 0.000) 7.938 12.812 ( 17.329 -2.853 0.000) 17.562 12.855 ( 0.759 0.593 0.000) 0.964 12.927 ( 5.136 3.294 0.000) 6.101 13.031 ( 1.317 -1.755 0.000) 2.195 13.044 ( -5.352 8.278 0.000) 9.857 13.223 ( -11.397 5.497 0.000) 12.653 13.323 ( -5.320 1.782 0.000) 5.610 13.400 ( 0.939 -1.266 0.000) 1.577 13.495 ( 8.343 7.546 0.000) 11.249 13.637 ( 0.667 0.995 0.000) 1.198 13.709 ( -4.725 -3.147 0.000) 5.677 13.801 ( 0.239 -8.493 0.000) 8.497 13.869 ( 0.682 2.932 0.000) 3.010 13.925 ( 0.271 6.613 0.000) 6.618 14.091 ( -3.139 -0.475 0.000) 3.175 14.121 ( 4.808 1.359 0.000) 4.996 14.142 ( -5.334 2.947 0.000) 6.094 14.170 ( -2.273 1.736 0.000) 2.860 14.275 ( 0.312 4.445 0.000) 4.456 14.329 ( -0.586 -3.194 0.000) 3.248 14.454 ( -12.552 -6.771 0.000) 14.262 14.540 ( -8.431 1.030 0.000) 8.494 14.686 ( -10.027 6.336 0.000) 11.861 14.802 ( -0.059 1.089 0.000) 1.091 14.867 ( -4.058 3.953 0.000) 5.665 14.958 ( 1.131 -4.971 0.000) 5.098 15.116 ( -5.616 -1.948 0.000) 5.944 15.201 ( -6.981 -8.713 0.000) 11.164 15.499 ( -2.842 -0.931 0.000) 2.990 15.608 ( 7.750 -7.382 0.000) 10.703 15.736 ( 1.440 0.349 0.000) 1.481 15.800 ( 4.907 -0.549 0.000) 4.938 15.874 ( 2.232 5.805 0.000) 6.220 15.925 ( 3.059 2.743 0.000) 4.109 16.027 ( 7.651 -1.738 0.000) 7.846 16.137 ( -4.700 -8.093 0.000) 9.359 16.298 ( 2.520 5.320 0.000) 5.886 16.444 ( 0.403 -6.834 0.000) 6.846 16.506 ( -13.517 -3.949 0.000) 14.082 16.528 ( -1.625 -5.531 0.000) 5.765 16.750 ( 1.675 8.304 0.000) 8.471 16.973 ( -0.993 5.438 0.000) 5.527 16.974 ( 3.632 1.284 0.000) 3.853 17.093 ( 3.871 -6.990 0.000) 7.990 17.099 ( 0.292 -5.891 0.000) 5.899 17.235 ( -0.746 -7.409 0.000) 7.446 17.357 ( 0.204 5.305 0.000) 5.309 17.413 ( -1.570 4.894 0.000) 5.140 17.423 ( 4.664 1.619 0.000) 4.937 17.454 ( 4.059 1.418 0.000) 4.299 17.544 ( 2.643 0.897 0.000) 2.791 17.671 ( 1.408 -3.221 0.000) 3.516 17.707 ( 3.754 8.363 0.000) 9.167 17.745 ( -0.206 0.583 0.000) 0.618 17.837 ( -3.116 1.652 0.000) 3.527 17.918 ( -2.193 -6.446 0.000) 6.809 18.247 ( 2.616 7.831 0.000) 8.257 18.468 ( -1.043 -2.160 0.000) 2.398 19.266 ( 14.747 1.085 0.000) 14.787 19.541 ( 9.104 -17.021 0.000) 19.303 19.801 ( 0.678 1.806 0.000) 1.929 19.851 ( 4.459 0.463 0.000) 4.483 19.874 ( 4.036 -0.535 0.000) 4.071 19.895 ( 0.937 -2.365 0.000) 2.544 20.793 ( -9.313 23.916 0.000) 25.665 21.270 ( -9.516 -3.324 0.000) 10.080 23.570 ( -6.834 -0.124 0.000) 6.835 23.580 ( -5.917 -0.167 0.000) 5.919 23.792 ( -6.322 0.057 0.000) 6.322 23.799 ( -6.692 0.020 0.000) 6.692 24.592 ( 1.243 0.845 0.000) 1.503 24.632 ( 3.676 -0.915 0.000) 3.788 24.887 ( -0.420 0.726 0.000) 0.839 24.916 ( 2.736 0.928 0.000) 2.889 24.924 ( 1.109 -0.929 0.000) 1.447 25.031 ( 3.811 -4.165 0.000) 5.646 25.404 ( 14.715 6.225 0.000) 15.978 25.521 ( 1.193 2.817 0.000) 3.059 25.658 ( -0.455 -3.356 0.000) 3.387 25.832 ( 5.901 -16.590 0.000) 17.608 26.270 ( 0.961 3.950 0.000) 4.065 26.288 ( -6.382 2.925 0.000) 7.020 26.398 ( -7.825 -2.065 0.000) 8.093 26.437 ( 3.517 -0.637 0.000) 3.574 27.050 ( -5.681 7.051 0.000) 9.055 27.281 ( -6.130 -3.804 0.000) 7.214 29.177 ( 2.319 1.587 0.000) 2.810 29.274 ( 1.212 -3.248 0.000) 3.467 29.465 ( -1.383 3.717 0.000) 3.965 29.585 ( -3.424 -2.145 0.000) 4.040 30.080 ( 10.442 1.704 0.000) 10.580 30.132 ( 8.843 -0.739 0.000) 8.873 30.486 ( 9.933 4.719 0.000) 10.997 30.808 ( 5.706 -10.955 0.000) 12.352 35.340 ( -3.291 3.631 0.000) 4.901 35.436 ( -4.787 -1.345 0.000) 4.973 35.472 ( -3.460 0.697 0.000) 3.530 35.501 ( -3.874 -0.685 0.000) 3.934 97.475 ( 1.513 0.176 0.000) 1.523 97.483 ( 1.323 -0.196 0.000) 1.337 97.762 ( -2.271 0.391 0.000) 2.304 97.779 ( -2.061 -0.367 0.000) 2.094 100.100 ( -1.627 7.142 0.000) 7.325 100.335 ( -4.118 -4.702 0.000) 6.251 100.528 ( -3.556 1.239 0.000) 3.766 100.540 ( -6.379 1.189 0.000) 6.489 ======================= Grid point 14 (10/72) ======================= q-point: ( 0.30 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.094 ( 43.289 13.556 0.000) 45.362 3.097 ( 44.319 21.704 0.000) 49.348 3.880 ( 29.024 -26.711 0.000) 39.445 4.165 ( 29.538 -30.870 0.000) 42.725 4.743 ( 5.906 14.398 0.000) 15.563 4.880 ( -1.636 2.301 0.000) 2.823 5.011 ( 47.364 14.180 0.000) 49.441 5.076 ( 0.158 9.594 0.000) 9.595 5.388 ( 22.536 16.754 0.000) 28.081 5.592 ( -4.145 -10.763 0.000) 11.533 5.676 ( 17.883 6.727 0.000) 19.106 5.710 ( -4.083 -2.668 0.000) 4.878 5.769 ( -4.793 -3.706 0.000) 6.059 5.770 ( 14.090 -1.790 0.000) 14.203 5.838 ( -7.049 1.043 0.000) 7.125 5.966 ( -6.287 -1.013 0.000) 6.368 6.111 ( 15.039 8.098 0.000) 17.081 6.226 ( 1.924 7.612 0.000) 7.852 6.284 ( -5.435 1.240 0.000) 5.574 6.420 ( -7.799 2.718 0.000) 8.259 6.482 ( 18.509 -19.154 0.000) 26.635 6.560 ( -0.832 2.074 0.000) 2.235 6.657 ( -13.046 -1.170 0.000) 13.098 6.659 ( 9.284 -4.275 0.000) 10.221 6.682 ( 20.029 -31.010 0.000) 36.916 6.792 ( -6.927 -5.392 0.000) 8.778 6.868 ( -6.960 2.628 0.000) 7.440 6.987 ( -1.644 6.406 0.000) 6.613 7.027 ( 1.938 -11.525 0.000) 11.687 7.164 ( -11.995 -15.709 0.000) 19.765 7.165 ( 5.816 4.559 0.000) 7.390 7.396 ( -4.483 -8.952 0.000) 10.012 7.471 ( 3.917 -12.338 0.000) 12.945 7.556 ( -4.130 3.811 0.000) 5.620 7.608 ( -8.748 -4.781 0.000) 9.970 7.650 ( -0.505 10.839 0.000) 10.851 7.784 ( -14.187 1.128 0.000) 14.231 7.839 ( -8.893 2.976 0.000) 9.378 7.888 ( -10.389 10.393 0.000) 14.695 7.935 ( -1.587 18.801 0.000) 18.868 7.947 ( -4.268 8.379 0.000) 9.404 8.090 ( -4.278 2.218 0.000) 4.819 8.121 ( -8.158 0.707 0.000) 8.189 8.323 ( -0.949 7.184 0.000) 7.246 8.333 ( -12.469 -2.254 0.000) 12.671 8.411 ( 13.714 36.570 0.000) 39.057 8.453 ( 1.105 -11.650 0.000) 11.702 8.586 ( 0.375 -2.486 0.000) 2.514 8.663 ( -3.565 -6.248 0.000) 7.194 8.807 ( -6.737 0.562 0.000) 6.760 8.869 ( 1.176 2.111 0.000) 2.417 8.936 ( -14.364 -3.255 0.000) 14.728 8.956 ( -13.985 -0.952 0.000) 14.017 9.059 ( -12.869 1.265 0.000) 12.931 9.208 ( -7.029 -6.898 0.000) 9.848 9.301 ( 1.713 -8.098 0.000) 8.278 9.352 ( 4.957 -6.228 0.000) 7.960 9.356 ( -1.989 1.324 0.000) 2.389 9.405 ( 0.773 -1.197 0.000) 1.425 9.637 ( -1.288 -2.002 0.000) 2.380 9.725 ( -1.116 -0.234 0.000) 1.140 9.743 ( -1.913 7.139 0.000) 7.391 9.841 ( 2.079 -5.076 0.000) 5.486 9.855 ( -6.724 -4.388 0.000) 8.029 9.906 ( 0.015 6.416 0.000) 6.416 10.035 ( -8.778 -0.757 0.000) 8.811 10.035 ( -1.251 1.260 0.000) 1.775 10.122 ( -1.220 -4.775 0.000) 4.928 10.160 ( -11.781 2.407 0.000) 12.024 10.185 ( -3.851 -0.263 0.000) 3.860 10.234 ( -1.901 -1.057 0.000) 2.175 10.253 ( 2.086 6.700 0.000) 7.017 10.276 ( -5.870 1.121 0.000) 5.976 10.428 ( 7.071 5.219 0.000) 8.788 10.444 ( -2.581 -1.438 0.000) 2.954 10.614 ( -11.310 0.427 0.000) 11.318 10.670 ( -0.798 1.684 0.000) 1.864 10.672 ( -0.680 -2.011 0.000) 2.123 10.755 ( 2.313 -0.302 0.000) 2.333 10.807 ( 0.086 -3.455 0.000) 3.456 10.858 ( -3.833 4.980 0.000) 6.284 10.937 ( -0.323 -5.451 0.000) 5.461 10.945 ( 0.677 2.110 0.000) 2.216 11.050 ( -2.121 -2.222 0.000) 3.072 11.133 ( 0.706 0.160 0.000) 0.724 11.134 ( 4.455 -2.178 0.000) 4.958 11.185 ( 6.067 -3.917 0.000) 7.221 11.222 ( 2.721 -2.442 0.000) 3.656 11.336 ( -2.741 4.808 0.000) 5.534 11.489 ( -1.958 0.983 0.000) 2.191 11.659 ( 4.303 6.782 0.000) 8.032 11.790 ( -7.573 0.408 0.000) 7.584 12.060 ( 0.691 2.864 0.000) 2.946 12.071 ( -5.175 -0.987 0.000) 5.268 12.195 ( 6.493 -3.410 0.000) 7.334 12.313 ( -9.350 -6.001 0.000) 11.110 12.316 ( -1.527 3.373 0.000) 3.702 12.495 ( -3.047 -5.904 0.000) 6.644 12.513 ( 3.043 -5.246 0.000) 6.064 12.546 ( 3.743 -1.933 0.000) 4.213 12.593 ( -0.009 1.332 0.000) 1.332 12.676 ( 1.143 -2.099 0.000) 2.389 12.707 ( -0.608 1.847 0.000) 1.944 12.728 ( -2.126 7.672 0.000) 7.961 12.786 ( 0.452 -1.212 0.000) 1.294 12.936 ( -0.330 2.453 0.000) 2.475 13.009 ( 2.793 0.884 0.000) 2.929 13.025 ( -0.887 0.476 0.000) 1.007 13.033 ( 5.653 -3.681 0.000) 6.746 13.163 ( 12.747 -9.194 0.000) 15.717 13.246 ( -3.089 5.157 0.000) 6.012 13.470 ( 3.342 -4.606 0.000) 5.691 13.604 ( -3.513 1.211 0.000) 3.716 13.619 ( 2.878 2.432 0.000) 3.768 13.686 ( 3.818 -2.186 0.000) 4.400 13.747 ( 0.486 -5.415 0.000) 5.437 13.898 ( 1.713 8.157 0.000) 8.335 13.960 ( 2.687 4.490 0.000) 5.233 14.007 ( -10.888 6.489 0.000) 12.675 14.049 ( -1.184 2.926 0.000) 3.156 14.125 ( -2.145 -0.100 0.000) 2.148 14.178 ( 0.566 0.251 0.000) 0.619 14.258 ( -5.935 11.411 0.000) 12.862 14.304 ( -2.072 -4.762 0.000) 5.193 14.364 ( 1.039 0.478 0.000) 1.144 14.453 ( -3.254 -0.681 0.000) 3.324 14.492 ( 0.834 3.198 0.000) 3.305 14.794 ( 0.317 1.631 0.000) 1.662 14.838 ( -4.570 5.318 0.000) 7.012 14.965 ( 0.500 -5.254 0.000) 5.278 15.004 ( -0.633 -14.725 0.000) 14.738 15.165 ( 1.065 -6.977 0.000) 7.058 15.474 ( 0.762 7.403 0.000) 7.443 15.700 ( -6.147 4.291 0.000) 7.496 15.776 ( 8.074 -7.784 0.000) 11.216 15.837 ( -4.415 6.119 0.000) 7.545 15.875 ( 0.521 -3.174 0.000) 3.216 15.905 ( 0.796 1.326 0.000) 1.546 15.981 ( -10.124 -3.195 0.000) 10.616 16.118 ( -9.043 -7.531 0.000) 11.768 16.361 ( 6.948 3.728 0.000) 7.885 16.431 ( 8.365 -0.436 0.000) 8.376 16.442 ( -0.202 -2.888 0.000) 2.895 16.534 ( 1.396 -5.009 0.000) 5.200 16.767 ( 0.028 10.138 0.000) 10.138 16.943 ( -2.100 2.398 0.000) 3.187 17.051 ( 4.050 0.468 0.000) 4.077 17.097 ( -3.329 -3.919 0.000) 5.142 17.133 ( 2.377 -4.577 0.000) 5.157 17.189 ( -2.890 -5.365 0.000) 6.093 17.370 ( 1.991 6.726 0.000) 7.014 17.438 ( 3.458 0.675 0.000) 3.523 17.507 ( 3.304 -0.224 0.000) 3.312 17.521 ( 2.774 -2.808 0.000) 3.947 17.597 ( 2.546 0.452 0.000) 2.586 17.685 ( 0.032 -2.740 0.000) 2.740 17.706 ( -2.057 2.660 0.000) 3.363 17.743 ( -2.120 1.170 0.000) 2.422 17.798 ( 0.408 4.091 0.000) 4.111 17.888 ( -1.766 -1.116 0.000) 2.089 18.332 ( 5.794 4.013 0.000) 7.048 18.472 ( 1.588 -1.630 0.000) 2.276 19.402 ( -0.560 1.158 0.000) 1.287 19.560 ( -6.313 -7.061 0.000) 9.472 19.830 ( 2.190 0.456 0.000) 2.237 19.898 ( -0.358 -1.982 0.000) 2.014 19.934 ( 3.829 0.300 0.000) 3.841 19.950 ( 3.515 -0.392 0.000) 3.537 20.785 ( 6.872 13.401 0.000) 15.060 21.160 ( -2.006 -4.774 0.000) 5.179 23.463 ( -3.541 0.886 0.000) 3.650 23.504 ( -2.726 -0.764 0.000) 2.831 23.661 ( -6.375 0.158 0.000) 6.377 23.667 ( -6.552 0.057 0.000) 6.552 24.621 ( 1.719 1.425 0.000) 2.232 24.709 ( 3.549 -2.954 0.000) 4.618 24.869 ( -0.408 2.973 0.000) 3.001 24.960 ( 2.010 2.130 0.000) 2.928 24.963 ( 2.249 -1.691 0.000) 2.814 25.077 ( 0.903 -2.122 0.000) 2.306 25.550 ( 1.744 2.093 0.000) 2.725 25.623 ( 7.241 1.075 0.000) 7.320 25.647 ( -0.614 -2.254 0.000) 2.336 25.854 ( -1.774 -9.149 0.000) 9.319 26.153 ( -7.030 1.926 0.000) 7.289 26.229 ( -8.996 -1.495 0.000) 9.120 26.346 ( 6.359 5.541 0.000) 8.434 26.512 ( 3.604 3.031 0.000) 4.709 26.976 ( -2.303 1.340 0.000) 2.664 27.154 ( -6.523 -4.478 0.000) 7.912 29.229 ( 2.865 1.211 0.000) 3.110 29.302 ( 1.606 -2.440 0.000) 2.922 29.434 ( -1.689 2.573 0.000) 3.078 29.515 ( -3.607 -1.393 0.000) 3.867 30.298 ( 11.098 1.088 0.000) 11.151 30.338 ( 11.822 -0.744 0.000) 11.845 30.641 ( 5.633 4.270 0.000) 7.068 30.871 ( 1.083 -6.014 0.000) 6.110 35.291 ( -1.714 1.681 0.000) 2.401 35.350 ( -3.714 -1.000 0.000) 3.846 35.400 ( -3.751 0.469 0.000) 3.780 35.421 ( -4.167 -0.477 0.000) 4.194 97.510 ( 2.032 0.116 0.000) 2.035 97.515 ( 2.007 -0.135 0.000) 2.011 97.712 ( -2.734 0.437 0.000) 2.768 97.732 ( -2.725 -0.416 0.000) 2.757 100.103 ( 1.454 3.571 0.000) 3.856 100.268 ( -2.521 -4.521 0.000) 5.176 100.422 ( -5.304 2.074 0.000) 5.695 100.449 ( -4.664 0.202 0.000) 4.669 ======================= Grid point 15 (11/72) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.884 ( 36.604 9.053 0.000) 37.707 3.963 ( 43.792 14.295 0.000) 46.066 4.400 ( 22.659 -16.544 0.000) 28.056 4.714 ( 26.355 -21.824 0.000) 34.218 4.760 ( -2.550 4.080 0.000) 4.811 4.878 ( 1.742 -0.586 0.000) 1.838 5.143 ( 1.198 9.118 0.000) 9.197 5.343 ( -0.133 8.118 0.000) 8.119 5.461 ( -12.875 3.193 0.000) 13.265 5.484 ( -24.215 0.391 0.000) 24.218 5.542 ( -9.092 -8.844 0.000) 12.683 5.616 ( -10.187 -2.220 0.000) 10.426 5.742 ( 2.246 4.954 0.000) 5.439 5.919 ( -0.045 0.290 0.000) 0.293 6.021 ( 11.260 -0.169 0.000) 11.261 6.064 ( 8.666 -2.257 0.000) 8.955 6.118 ( 10.060 12.045 0.000) 15.694 6.306 ( -2.077 3.562 0.000) 4.124 6.375 ( 6.764 2.208 0.000) 7.115 6.470 ( -3.471 -1.873 0.000) 3.945 6.510 ( 3.828 -1.261 0.000) 4.031 6.560 ( 0.731 -2.957 0.000) 3.046 6.665 ( -4.155 -5.090 0.000) 6.570 6.682 ( -0.694 0.160 0.000) 0.712 6.760 ( 21.587 2.634 0.000) 21.747 6.862 ( -10.093 -16.099 0.000) 19.001 6.883 ( 6.350 -0.587 0.000) 6.377 6.994 ( 5.460 -6.445 0.000) 8.447 7.082 ( 2.965 10.646 0.000) 11.051 7.200 ( -6.268 5.093 0.000) 8.076 7.292 ( 13.713 -12.482 0.000) 18.543 7.431 ( -0.156 -2.986 0.000) 2.990 7.463 ( -10.525 -2.511 0.000) 10.820 7.475 ( 1.301 -4.490 0.000) 4.675 7.584 ( 8.124 -6.792 0.000) 10.589 7.599 ( -2.233 4.607 0.000) 5.119 7.617 ( -2.476 4.684 0.000) 5.298 7.673 ( -6.756 7.346 0.000) 9.980 7.766 ( 0.364 8.541 0.000) 8.549 7.801 ( -5.972 7.937 0.000) 9.933 7.931 ( -8.344 -0.172 0.000) 8.346 7.985 ( 8.867 7.452 0.000) 11.582 8.033 ( -5.251 1.223 0.000) 5.392 8.106 ( 5.131 -3.191 0.000) 6.043 8.303 ( -1.369 3.997 0.000) 4.225 8.485 ( -4.115 -5.879 0.000) 7.176 8.509 ( -5.811 -0.420 0.000) 5.826 8.555 ( -5.333 -3.987 0.000) 6.659 8.599 ( -11.908 -5.101 0.000) 12.955 8.682 ( -0.836 -5.638 0.000) 5.699 8.733 ( -11.002 -6.537 0.000) 12.797 8.752 ( -0.998 -6.896 0.000) 6.968 8.866 ( 16.794 21.587 0.000) 27.350 8.971 ( 3.748 2.628 0.000) 4.577 9.131 ( -2.758 -4.014 0.000) 4.870 9.291 ( -18.182 1.191 0.000) 18.221 9.342 ( 0.880 -7.170 0.000) 7.224 9.385 ( 3.779 1.392 0.000) 4.027 9.463 ( 3.739 -1.767 0.000) 4.136 9.554 ( -2.352 0.575 0.000) 2.422 9.621 ( -8.213 -0.232 0.000) 8.216 9.671 ( -4.048 -0.054 0.000) 4.048 9.737 ( -9.851 -1.870 0.000) 10.027 9.739 ( -5.286 -7.287 0.000) 9.002 9.883 ( -1.904 2.882 0.000) 3.454 9.952 ( -6.821 3.799 0.000) 7.807 10.023 ( -3.832 1.455 0.000) 4.099 10.027 ( 2.134 -2.231 0.000) 3.088 10.042 ( -5.354 1.355 0.000) 5.523 10.138 ( -2.152 -3.375 0.000) 4.003 10.172 ( -3.365 1.007 0.000) 3.512 10.197 ( -1.942 -0.038 0.000) 1.942 10.336 ( 4.709 3.839 0.000) 6.075 10.396 ( -9.586 0.468 0.000) 9.598 10.408 ( -1.195 -0.760 0.000) 1.416 10.434 ( -8.963 -1.110 0.000) 9.031 10.599 ( 5.254 5.120 0.000) 7.336 10.684 ( 2.953 6.034 0.000) 6.718 10.764 ( -0.326 7.197 0.000) 7.204 10.792 ( -2.176 10.128 0.000) 10.360 10.902 ( 3.601 0.826 0.000) 3.695 10.959 ( 0.938 3.385 0.000) 3.512 10.971 ( 2.356 -2.226 0.000) 3.241 11.038 ( 0.885 -3.845 0.000) 3.946 11.198 ( 4.485 -0.983 0.000) 4.592 11.256 ( 6.651 -4.031 0.000) 7.777 11.304 ( 5.518 -3.736 0.000) 6.664 11.305 ( 2.159 -5.745 0.000) 6.137 11.339 ( 4.528 -1.878 0.000) 4.902 11.462 ( -1.049 -2.366 0.000) 2.588 11.611 ( -9.583 1.464 0.000) 9.694 11.624 ( -6.047 1.307 0.000) 6.187 11.974 ( -3.584 0.471 0.000) 3.615 12.116 ( 2.049 2.442 0.000) 3.187 12.122 ( -9.331 -3.772 0.000) 10.064 12.193 ( -3.753 -0.972 0.000) 3.877 12.324 ( -15.190 1.062 0.000) 15.227 12.379 ( -12.516 1.342 0.000) 12.588 12.395 ( 6.299 0.684 0.000) 6.336 12.482 ( 4.828 -3.704 0.000) 6.085 12.585 ( -1.538 1.778 0.000) 2.350 12.687 ( 8.848 -3.558 0.000) 9.537 12.688 ( -0.903 -3.013 0.000) 3.145 12.816 ( 8.525 -5.348 0.000) 10.064 12.963 ( -0.438 3.986 0.000) 4.010 12.987 ( -1.323 3.002 0.000) 3.281 13.044 ( -1.008 0.280 0.000) 1.046 13.044 ( 11.195 3.718 0.000) 11.796 13.210 ( 0.593 5.242 0.000) 5.275 13.216 ( 7.972 -4.267 0.000) 9.042 13.264 ( -2.641 -7.164 0.000) 7.635 13.401 ( -6.955 -2.513 0.000) 7.395 13.672 ( 6.667 -0.449 0.000) 6.682 13.673 ( 5.121 -0.563 0.000) 5.152 13.762 ( 3.138 -3.908 0.000) 5.012 13.779 ( 0.860 -2.803 0.000) 2.931 13.872 ( -2.040 0.197 0.000) 2.050 13.987 ( 4.852 12.770 0.000) 13.661 13.996 ( 0.305 3.106 0.000) 3.121 14.025 ( -1.859 4.736 0.000) 5.088 14.027 ( -6.472 2.548 0.000) 6.956 14.117 ( 2.037 -2.038 0.000) 2.881 14.213 ( -1.410 7.521 0.000) 7.652 14.251 ( -3.233 -4.937 0.000) 5.901 14.410 ( 0.470 7.834 0.000) 7.848 14.454 ( 2.476 -5.408 0.000) 5.948 14.494 ( -2.190 -1.678 0.000) 2.759 14.698 ( -7.151 4.505 0.000) 8.452 14.845 ( 5.207 2.086 0.000) 5.610 14.994 ( 1.923 -4.291 0.000) 4.702 15.089 ( 5.976 -11.510 0.000) 12.969 15.191 ( 1.026 -6.509 0.000) 6.589 15.525 ( 3.781 8.032 0.000) 8.877 15.527 ( -8.657 5.407 0.000) 10.207 15.684 ( -11.524 -0.550 0.000) 11.537 15.752 ( -9.210 -2.278 0.000) 9.488 15.898 ( 0.956 -0.929 0.000) 1.333 15.908 ( 2.406 0.556 0.000) 2.469 15.949 ( -4.161 -2.202 0.000) 4.708 15.955 ( 4.292 -3.426 0.000) 5.491 16.443 ( 0.611 -0.896 0.000) 1.084 16.528 ( 6.987 1.895 0.000) 7.239 16.541 ( -1.279 -4.382 0.000) 4.565 16.571 ( 4.953 0.002 0.000) 4.953 16.765 ( 0.549 9.463 0.000) 9.479 16.894 ( -3.186 1.394 0.000) 3.478 17.030 ( -2.258 -4.413 0.000) 4.957 17.109 ( -4.905 -4.681 0.000) 6.780 17.124 ( 3.192 -0.006 0.000) 3.192 17.167 ( 0.881 -2.312 0.000) 2.475 17.436 ( 4.239 3.874 0.000) 5.743 17.523 ( 4.598 -0.396 0.000) 4.615 17.543 ( 0.217 -0.831 0.000) 0.859 17.570 ( 2.394 -2.330 0.000) 3.341 17.638 ( 1.650 0.143 0.000) 1.656 17.663 ( -2.332 2.736 0.000) 3.594 17.677 ( -0.674 -1.351 0.000) 1.510 17.693 ( -2.413 0.571 0.000) 2.480 17.806 ( 0.132 2.368 0.000) 2.371 17.848 ( -2.109 0.008 0.000) 2.109 18.455 ( 6.189 2.007 0.000) 6.506 18.521 ( 2.798 -0.692 0.000) 2.882 19.316 ( -5.834 0.727 0.000) 5.879 19.382 ( -9.562 -2.360 0.000) 9.849 19.867 ( 1.486 -0.128 0.000) 1.491 19.894 ( -0.152 -1.191 0.000) 1.201 19.994 ( 2.225 0.159 0.000) 2.231 20.003 ( 1.823 -0.237 0.000) 1.838 20.963 ( 9.255 5.885 0.000) 10.968 21.148 ( -0.535 -2.505 0.000) 2.561 23.425 ( -0.557 1.087 0.000) 1.221 23.465 ( -1.483 -0.542 0.000) 1.579 23.555 ( -4.096 0.037 0.000) 4.096 23.562 ( -3.821 -0.079 0.000) 3.821 24.659 ( 2.126 1.214 0.000) 2.448 24.737 ( -0.816 -2.684 0.000) 2.805 24.902 ( 3.653 2.894 0.000) 4.660 24.994 ( 0.536 -1.631 0.000) 1.717 25.000 ( 2.079 2.618 0.000) 3.343 25.073 ( -1.127 0.220 0.000) 1.148 25.587 ( 1.944 1.177 0.000) 2.272 25.636 ( -0.602 -0.952 0.000) 1.126 25.711 ( 2.736 -3.262 0.000) 4.257 25.805 ( -2.756 -6.537 0.000) 7.094 26.031 ( -4.802 0.803 0.000) 4.868 26.069 ( -6.797 -0.820 0.000) 6.846 26.478 ( 6.164 6.058 0.000) 8.642 26.565 ( 1.558 5.630 0.000) 5.842 26.952 ( -0.247 -2.072 0.000) 2.087 27.039 ( -4.982 -3.930 0.000) 6.345 29.286 ( 2.893 0.794 0.000) 3.000 29.334 ( 1.541 -1.694 0.000) 2.290 29.401 ( -1.611 1.658 0.000) 2.312 29.448 ( -3.129 -0.784 0.000) 3.225 30.498 ( 9.077 1.407 0.000) 9.185 30.564 ( 10.435 -1.643 0.000) 10.563 30.700 ( 0.523 3.406 0.000) 3.446 30.853 ( -2.952 -3.489 0.000) 4.570 35.274 ( -0.065 0.652 0.000) 0.655 35.299 ( -1.402 -0.469 0.000) 1.479 35.332 ( -2.982 0.306 0.000) 2.997 35.346 ( -3.314 -0.310 0.000) 3.329 97.553 ( 2.371 0.171 0.000) 2.377 97.561 ( 2.616 -0.200 0.000) 2.624 97.657 ( -2.833 0.408 0.000) 2.862 97.675 ( -2.996 -0.377 0.000) 3.020 100.148 ( 3.018 1.667 0.000) 3.448 100.237 ( -0.831 -2.702 0.000) 2.827 100.334 ( -3.579 1.404 0.000) 3.845 100.357 ( -4.372 -0.033 0.000) 4.372 ======================= Grid point 16 (12/72) ======================= q-point: (-0.50 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.470 ( -20.565 4.221 0.000) 20.993 4.470 ( 20.565 4.221 0.000) 20.993 4.786 ( -39.154 7.487 0.000) 39.863 4.786 ( 39.154 7.487 0.000) 39.863 4.823 ( -10.693 -7.002 0.000) 12.781 4.823 ( 10.693 -7.002 0.000) 12.781 5.176 ( -17.294 -5.896 0.000) 18.271 5.176 ( 17.294 -5.896 0.000) 18.271 5.204 ( -9.920 7.440 0.000) 12.400 5.204 ( 9.920 7.440 0.000) 12.400 5.459 ( -2.928 -4.828 0.000) 5.647 5.459 ( 2.928 -4.828 0.000) 5.647 5.870 ( -6.101 1.602 0.000) 6.308 5.870 ( 6.102 1.602 0.000) 6.308 6.118 ( -0.507 -6.504 0.000) 6.524 6.118 ( 0.507 -6.504 0.000) 6.524 6.318 ( -3.727 3.660 0.000) 5.224 6.318 ( 3.727 3.660 0.000) 5.224 6.401 ( -14.440 2.581 0.000) 14.669 6.401 ( 14.440 2.581 0.000) 14.669 6.581 ( -2.879 -8.863 0.000) 9.318 6.581 ( 2.879 -8.863 0.000) 9.318 6.675 ( -8.012 -6.633 0.000) 10.401 6.675 ( 8.012 -6.633 0.000) 10.401 6.734 ( -9.682 -2.349 0.000) 9.963 6.734 ( 9.682 -2.349 0.000) 9.963 7.022 ( -8.719 9.761 0.000) 13.089 7.022 ( 8.719 9.761 0.000) 13.089 7.207 ( -10.534 9.576 0.000) 14.236 7.207 ( 10.534 9.576 0.000) 14.236 7.319 ( -12.364 1.116 0.000) 12.415 7.319 ( 12.364 1.116 0.000) 12.415 7.475 ( -4.896 -6.414 0.000) 8.069 7.475 ( 4.896 -6.414 0.000) 8.069 7.597 ( -1.217 6.537 0.000) 6.650 7.597 ( 1.217 6.537 0.000) 6.650 7.608 ( -8.279 -4.706 0.000) 9.523 7.608 ( 8.279 -4.706 0.000) 9.523 7.812 ( -3.975 0.854 0.000) 4.066 7.812 ( 3.976 0.854 0.000) 4.066 7.860 ( -5.208 12.851 0.000) 13.866 7.860 ( 5.208 12.851 0.000) 13.866 8.312 ( -4.996 2.836 0.000) 5.745 8.312 ( 4.996 2.836 0.000) 5.745 8.337 ( -21.546 -2.177 0.000) 21.655 8.337 ( 21.546 -2.177 0.000) 21.655 8.395 ( -11.336 0.680 0.000) 11.357 8.395 ( 11.336 0.680 0.000) 11.357 8.595 ( -4.361 -11.621 0.000) 12.412 8.595 ( 4.361 -11.621 0.000) 12.412 8.773 ( -7.919 -10.696 0.000) 13.309 8.773 ( 7.919 -10.696 0.000) 13.309 8.953 ( -10.363 -1.119 0.000) 10.424 8.953 ( 10.363 -1.119 0.000) 10.424 9.060 ( -4.567 0.408 0.000) 4.585 9.060 ( 4.567 0.408 0.000) 4.585 9.438 ( -9.408 4.665 0.000) 10.501 9.438 ( 9.408 4.665 0.000) 10.501 9.490 ( -4.898 -2.219 0.000) 5.378 9.490 ( 4.898 -2.219 0.000) 5.378 9.606 ( -2.351 0.257 0.000) 2.365 9.606 ( 2.351 0.257 0.000) 2.365 9.610 ( -6.609 -6.219 0.000) 9.075 9.610 ( 6.609 -6.219 0.000) 9.075 9.864 ( -1.585 4.779 0.000) 5.035 9.864 ( 1.585 4.779 0.000) 5.035 9.935 ( -0.386 4.546 0.000) 4.563 9.935 ( 0.386 4.546 0.000) 4.563 10.085 ( -3.164 -4.700 0.000) 5.666 10.085 ( 3.164 -4.700 0.000) 5.666 10.176 ( -0.953 -0.598 0.000) 1.125 10.176 ( 0.953 -0.598 0.000) 1.125 10.326 ( -2.571 -1.651 0.000) 3.055 10.326 ( 2.571 -1.651 0.000) 3.055 10.390 ( -1.105 0.363 0.000) 1.163 10.390 ( 1.105 0.363 0.000) 1.163 10.712 ( -5.365 11.893 0.000) 13.047 10.712 ( 5.365 11.893 0.000) 13.047 10.746 ( -2.053 8.667 0.000) 8.907 10.746 ( 2.053 8.667 0.000) 8.907 10.957 ( -1.531 2.583 0.000) 3.002 10.957 ( 1.531 2.583 0.000) 3.002 11.027 ( -2.570 -2.553 0.000) 3.623 11.027 ( 2.570 -2.553 0.000) 3.623 11.281 ( -3.258 -2.961 0.000) 4.403 11.281 ( 3.258 -2.961 0.000) 4.403 11.370 ( -3.345 -1.857 0.000) 3.826 11.370 ( 3.345 -1.857 0.000) 3.826 11.430 ( -2.870 -5.790 0.000) 6.462 11.430 ( 2.870 -5.790 0.000) 6.462 11.503 ( -3.167 -1.030 0.000) 3.331 11.503 ( 3.167 -1.030 0.000) 3.331 11.972 ( -4.266 1.492 0.000) 4.519 11.972 ( 4.266 1.492 0.000) 4.519 12.135 ( -1.544 -0.284 0.000) 1.570 12.135 ( 1.544 -0.284 0.000) 1.570 12.213 ( -3.155 -3.050 0.000) 4.389 12.213 ( 3.155 -3.050 0.000) 4.389 12.516 ( -5.491 1.693 0.000) 5.746 12.516 ( 5.491 1.693 0.000) 5.746 12.616 ( -6.326 -3.012 0.000) 7.006 12.616 ( 6.326 -3.012 0.000) 7.006 12.851 ( -6.436 3.486 0.000) 7.319 12.851 ( 6.436 3.486 0.000) 7.319 12.996 ( -2.318 3.444 0.000) 4.152 12.996 ( 2.318 3.444 0.000) 4.152 13.036 ( -8.902 -5.721 0.000) 10.582 13.036 ( 8.902 -5.721 0.000) 10.582 13.269 ( -2.960 0.075 0.000) 2.961 13.269 ( 2.960 0.075 0.000) 2.961 13.275 ( -5.381 0.460 0.000) 5.400 13.275 ( 5.381 0.460 0.000) 5.400 13.774 ( -2.662 -2.706 0.000) 3.796 13.774 ( 2.662 -2.706 0.000) 3.796 13.774 ( -3.057 1.961 0.000) 3.632 13.774 ( 3.057 1.961 0.000) 3.632 13.887 ( -4.844 -4.164 0.000) 6.387 13.887 ( 4.844 -4.164 0.000) 6.387 13.994 ( -0.574 2.731 0.000) 2.791 13.994 ( 0.574 2.731 0.000) 2.791 14.143 ( -6.428 7.462 0.000) 9.849 14.143 ( 6.428 7.462 0.000) 9.849 14.181 ( -3.789 -2.785 0.000) 4.703 14.181 ( 3.789 -2.785 0.000) 4.703 14.420 ( -2.608 -2.123 0.000) 3.363 14.420 ( 2.608 -2.123 0.000) 3.363 14.562 ( -6.698 6.587 0.000) 9.394 14.562 ( 6.698 6.587 0.000) 9.394 14.970 ( -5.495 -0.067 0.000) 5.495 14.970 ( 5.495 -0.067 0.000) 5.495 15.180 ( -2.681 -8.223 0.000) 8.649 15.180 ( 2.681 -8.223 0.000) 8.649 15.483 ( -5.819 0.982 0.000) 5.902 15.483 ( 5.819 0.982 0.000) 5.902 15.607 ( -5.263 1.875 0.000) 5.587 15.607 ( 5.263 1.875 0.000) 5.587 15.913 ( -0.804 -0.757 0.000) 1.104 15.913 ( 0.804 -0.757 0.000) 1.104 15.972 ( -2.785 0.899 0.000) 2.927 15.972 ( 2.785 0.899 0.000) 2.927 16.485 ( -3.538 -2.750 0.000) 4.481 16.485 ( 3.538 -2.750 0.000) 4.481 16.609 ( -1.161 1.141 0.000) 1.628 16.609 ( 1.162 1.141 0.000) 1.628 16.814 ( -4.262 4.532 0.000) 6.221 16.814 ( 4.262 4.532 0.000) 6.221 17.031 ( -2.339 -4.895 0.000) 5.425 17.031 ( 2.339 -4.895 0.000) 5.425 17.166 ( -1.009 -0.943 0.000) 1.381 17.166 ( 1.009 -0.943 0.000) 1.381 17.513 ( -3.122 0.779 0.000) 3.217 17.513 ( 3.122 0.779 0.000) 3.217 17.592 ( -1.857 0.175 0.000) 1.865 17.592 ( 1.857 0.175 0.000) 1.865 17.646 ( -1.990 0.820 0.000) 2.152 17.646 ( 1.990 0.820 0.000) 2.152 17.662 ( -0.885 -0.382 0.000) 0.964 17.662 ( 0.885 -0.382 0.000) 0.964 17.815 ( -1.061 0.372 0.000) 1.125 17.815 ( 1.061 0.372 0.000) 1.125 18.541 ( -1.733 0.661 0.000) 1.855 18.541 ( 1.733 0.661 0.000) 1.855 19.259 ( -1.638 -0.459 0.000) 1.701 19.259 ( 1.638 -0.459 0.000) 1.701 19.887 ( -0.618 -0.498 0.000) 0.794 19.887 ( 0.618 -0.498 0.000) 0.794 20.019 ( -0.247 -0.033 0.000) 0.249 20.019 ( 0.247 -0.033 0.000) 0.249 21.102 ( -4.613 1.075 0.000) 4.736 21.102 ( 4.613 1.075 0.000) 4.736 23.435 ( -1.410 0.593 0.000) 1.529 23.435 ( 1.410 0.593 0.000) 1.529 23.520 ( -0.455 -0.339 0.000) 0.567 23.520 ( 0.455 -0.339 0.000) 0.567 24.702 ( -2.215 -0.093 0.000) 2.217 24.702 ( 2.215 -0.093 0.000) 2.217 24.973 ( -2.729 0.016 0.000) 2.729 24.973 ( 2.729 0.016 0.000) 2.729 25.041 ( -2.011 1.962 0.000) 2.810 25.041 ( 2.011 1.962 0.000) 2.810 25.620 ( -1.209 0.187 0.000) 1.224 25.620 ( 1.209 0.187 0.000) 1.224 25.756 ( -2.229 -5.234 0.000) 5.689 25.756 ( 2.229 -5.234 0.000) 5.689 25.989 ( -0.919 -0.114 0.000) 0.926 25.989 ( 0.919 -0.114 0.000) 0.926 26.562 ( -2.124 6.086 0.000) 6.446 26.562 ( 2.124 6.086 0.000) 6.446 26.968 ( -2.137 -3.279 0.000) 3.914 26.968 ( 2.137 -3.279 0.000) 3.914 29.336 ( -1.862 0.086 0.000) 1.864 29.336 ( 1.862 0.086 0.000) 1.864 29.397 ( -1.769 -0.096 0.000) 1.772 29.397 ( 1.769 -0.096 0.000) 1.772 30.637 ( -4.496 1.421 0.000) 4.715 30.637 ( 4.496 1.421 0.000) 4.715 30.757 ( -6.633 -1.481 0.000) 6.797 30.757 ( 6.633 -1.481 0.000) 6.797 35.288 ( -1.467 0.216 0.000) 1.482 35.288 ( 1.467 0.216 0.000) 1.482 35.298 ( -1.320 -0.177 0.000) 1.332 35.298 ( 1.320 -0.177 0.000) 1.332 97.601 ( -2.268 0.157 0.000) 2.274 97.601 ( 2.268 0.157 0.000) 2.274 97.618 ( -2.527 -0.156 0.000) 2.532 97.618 ( 2.527 -0.156 0.000) 2.532 100.210 ( -2.710 0.060 0.000) 2.711 100.210 ( 2.710 0.060 0.000) 2.711 100.300 ( -0.799 0.013 0.000) 0.799 100.300 ( 0.799 0.013 0.000) 0.799 ======================= Grid point 22 (13/72) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.809 ( 0.000 -49.378 0.000) 49.378 1.809 ( 0.000 49.378 0.000) 49.378 1.811 ( 0.000 -49.267 0.000) 49.267 1.811 ( 0.000 49.267 0.000) 49.267 3.320 ( 0.000 -89.629 0.000) 89.629 3.320 ( 0.000 89.629 0.000) 89.629 4.798 ( 0.000 -22.667 0.000) 22.667 4.798 ( 0.000 22.667 0.000) 22.667 4.869 ( 0.000 -31.918 0.000) 31.918 4.869 ( 0.000 31.918 0.000) 31.918 5.394 ( 0.000 -6.139 0.000) 6.139 5.394 ( 0.000 6.139 0.000) 6.139 5.423 ( 0.000 -1.780 0.000) 1.780 5.423 ( 0.000 1.780 0.000) 1.780 6.029 ( 0.000 -9.871 0.000) 9.871 6.029 ( 0.000 9.871 0.000) 9.871 6.037 ( 0.000 -8.847 0.000) 8.847 6.037 ( 0.000 8.847 0.000) 8.847 6.151 ( 0.000 -7.797 0.000) 7.797 6.151 ( 0.000 7.797 0.000) 7.797 6.554 ( 0.000 -5.841 0.000) 5.841 6.554 ( 0.000 5.841 0.000) 5.841 6.904 ( 0.000 -2.311 0.000) 2.311 6.904 ( 0.000 2.311 0.000) 2.311 7.099 ( 0.000 -4.599 0.000) 4.599 7.099 ( 0.000 4.599 0.000) 4.599 7.184 ( 0.000 -5.539 0.000) 5.539 7.184 ( 0.000 5.539 0.000) 5.539 7.432 ( 0.000 -4.529 0.000) 4.529 7.432 ( 0.000 4.529 0.000) 4.529 7.576 ( 0.000 -2.635 0.000) 2.635 7.576 ( 0.000 2.635 0.000) 2.635 7.579 ( 0.000 -0.824 0.000) 0.824 7.579 ( 0.000 0.824 0.000) 0.824 7.763 ( 0.000 -3.323 0.000) 3.323 7.763 ( 0.000 3.323 0.000) 3.323 7.862 ( 0.000 -1.455 0.000) 1.455 7.862 ( 0.000 1.455 0.000) 1.455 8.086 ( 0.000 -8.512 0.000) 8.512 8.086 ( 0.000 8.512 0.000) 8.512 8.118 ( 0.000 -14.986 0.000) 14.986 8.118 ( 0.000 14.986 0.000) 14.986 8.283 ( 0.000 -4.728 0.000) 4.728 8.283 ( 0.000 4.728 0.000) 4.728 8.384 ( 0.000 -16.667 0.000) 16.667 8.384 ( 0.000 16.667 0.000) 16.667 8.626 ( 0.000 -9.662 0.000) 9.662 8.626 ( 0.000 9.662 0.000) 9.662 8.668 ( 0.000 -4.697 0.000) 4.697 8.668 ( 0.000 4.697 0.000) 4.697 8.851 ( 0.000 -1.223 0.000) 1.223 8.851 ( 0.000 1.223 0.000) 1.223 9.235 ( 0.000 -31.065 0.000) 31.065 9.235 ( 0.000 31.065 0.000) 31.065 9.257 ( 0.000 -8.858 0.000) 8.858 9.257 ( 0.000 8.858 0.000) 8.858 9.493 ( 0.000 -0.978 0.000) 0.978 9.493 ( 0.000 0.978 0.000) 0.978 9.664 ( 0.000 -4.196 0.000) 4.196 9.664 ( 0.000 4.196 0.000) 4.196 9.750 ( 0.000 -9.975 0.000) 9.975 9.750 ( 0.000 9.975 0.000) 9.975 9.955 ( 0.000 -3.257 0.000) 3.257 9.955 ( 0.000 3.257 0.000) 3.257 10.066 ( 0.000 -7.039 0.000) 7.039 10.066 ( 0.000 7.039 0.000) 7.039 10.178 ( 0.000 -2.507 0.000) 2.507 10.178 ( 0.000 2.507 0.000) 2.507 10.230 ( 0.000 -0.301 0.000) 0.301 10.230 ( 0.000 0.301 0.000) 0.301 10.393 ( 0.000 -4.640 0.000) 4.640 10.393 ( 0.000 4.640 0.000) 4.640 10.414 ( 0.000 -7.407 0.000) 7.407 10.414 ( 0.000 7.407 0.000) 7.407 10.646 ( 0.000 -1.838 0.000) 1.838 10.646 ( 0.000 1.838 0.000) 1.838 10.738 ( 0.000 -1.762 0.000) 1.762 10.738 ( 0.000 1.762 0.000) 1.762 10.946 ( 0.000 -3.405 0.000) 3.405 10.946 ( 0.000 3.405 0.000) 3.405 10.981 ( 0.000 -4.798 0.000) 4.798 10.981 ( 0.000 4.798 0.000) 4.798 11.087 ( 0.000 -7.045 0.000) 7.045 11.087 ( 0.000 7.045 0.000) 7.045 11.245 ( 0.000 -2.081 0.000) 2.081 11.245 ( 0.000 2.081 0.000) 2.081 11.425 ( 0.000 -6.820 0.000) 6.820 11.425 ( 0.000 6.820 0.000) 6.820 11.553 ( 0.000 -4.392 0.000) 4.392 11.553 ( 0.000 4.392 0.000) 4.392 11.644 ( 0.000 -0.664 0.000) 0.664 11.644 ( 0.000 0.664 0.000) 0.664 11.787 ( 0.000 -3.633 0.000) 3.633 11.787 ( 0.000 3.633 0.000) 3.633 12.169 ( 0.000 -1.794 0.000) 1.794 12.169 ( 0.000 1.794 0.000) 1.794 12.249 ( 0.000 -7.716 0.000) 7.716 12.249 ( 0.000 7.716 0.000) 7.716 12.313 ( 0.000 -1.122 0.000) 1.122 12.313 ( 0.000 1.122 0.000) 1.122 12.430 ( 0.000 -2.323 0.000) 2.323 12.430 ( 0.000 2.323 0.000) 2.323 12.558 ( 0.000 -3.710 0.000) 3.710 12.558 ( 0.000 3.710 0.000) 3.710 12.901 ( 0.000 -6.306 0.000) 6.306 12.901 ( 0.000 6.306 0.000) 6.306 13.014 ( 0.000 -1.660 0.000) 1.660 13.014 ( 0.000 1.660 0.000) 1.660 13.274 ( 0.000 -5.300 0.000) 5.300 13.274 ( 0.000 5.300 0.000) 5.300 13.488 ( 0.000 -1.193 0.000) 1.193 13.488 ( 0.000 1.193 0.000) 1.193 13.577 ( 0.000 -1.872 0.000) 1.872 13.577 ( 0.000 1.872 0.000) 1.872 13.718 ( 0.000 -2.684 0.000) 2.684 13.718 ( 0.000 2.684 0.000) 2.684 13.877 ( 0.000 -7.435 0.000) 7.435 13.877 ( 0.000 7.435 0.000) 7.435 14.127 ( 0.000 -6.223 0.000) 6.223 14.127 ( 0.000 6.223 0.000) 6.223 14.328 ( 0.000 -0.580 0.000) 0.580 14.328 ( 0.000 0.580 0.000) 0.580 14.543 ( 0.000 -7.140 0.000) 7.140 14.543 ( 0.000 7.140 0.000) 7.140 14.702 ( 0.000 -1.272 0.000) 1.272 14.702 ( 0.000 1.272 0.000) 1.272 14.726 ( 0.000 -1.589 0.000) 1.589 14.726 ( 0.000 1.589 0.000) 1.589 14.833 ( 0.000 -1.466 0.000) 1.466 14.833 ( 0.000 1.466 0.000) 1.466 15.391 ( 0.000 -12.257 0.000) 12.257 15.391 ( 0.000 12.257 0.000) 12.257 15.548 ( 0.000 -3.437 0.000) 3.437 15.548 ( 0.000 3.437 0.000) 3.437 15.653 ( 0.000 -5.654 0.000) 5.654 15.653 ( 0.000 5.654 0.000) 5.654 15.871 ( 0.000 -5.680 0.000) 5.680 15.871 ( 0.000 5.680 0.000) 5.680 15.891 ( 0.000 -9.653 0.000) 9.653 15.891 ( 0.000 9.653 0.000) 9.653 16.330 ( 0.000 -0.654 0.000) 0.654 16.330 ( 0.000 0.654 0.000) 0.654 16.593 ( 0.000 -11.240 0.000) 11.240 16.593 ( 0.000 11.240 0.000) 11.240 16.862 ( 0.000 -2.163 0.000) 2.163 16.862 ( 0.000 2.163 0.000) 2.163 17.092 ( 0.000 -5.177 0.000) 5.177 17.092 ( 0.000 5.177 0.000) 5.177 17.157 ( 0.000 -3.717 0.000) 3.717 17.157 ( 0.000 3.717 0.000) 3.717 17.266 ( 0.000 -5.720 0.000) 5.720 17.266 ( 0.000 5.720 0.000) 5.720 17.319 ( 0.000 -4.385 0.000) 4.385 17.319 ( 0.000 4.385 0.000) 4.385 17.576 ( 0.000 -0.223 0.000) 0.223 17.576 ( 0.000 0.223 0.000) 0.223 17.686 ( 0.000 -6.077 0.000) 6.077 17.686 ( 0.000 6.077 0.000) 6.077 18.099 ( 0.000 -3.654 0.000) 3.654 18.099 ( 0.000 3.654 0.000) 3.654 18.439 ( 0.000 -2.238 0.000) 2.238 18.439 ( 0.000 2.238 0.000) 2.238 18.639 ( 0.000 -1.137 0.000) 1.137 18.639 ( 0.000 1.137 0.000) 1.137 19.758 ( 0.000 -1.137 0.000) 1.137 19.758 ( 0.000 1.137 0.000) 1.137 19.812 ( 0.000 -2.437 0.000) 2.437 19.812 ( 0.000 2.437 0.000) 2.437 21.760 ( 0.000 -12.662 0.000) 12.662 21.760 ( 0.000 12.662 0.000) 12.662 23.885 ( 0.000 -0.035 0.000) 0.035 23.885 ( 0.000 0.035 0.000) 0.035 23.913 ( 0.000 -0.052 0.000) 0.052 23.913 ( 0.000 0.052 0.000) 0.052 24.561 ( 0.000 -0.392 0.000) 0.392 24.561 ( 0.000 0.392 0.000) 0.392 24.724 ( 0.000 -0.417 0.000) 0.417 24.724 ( 0.000 0.417 0.000) 0.417 24.898 ( 0.000 -2.331 0.000) 2.331 24.898 ( 0.000 2.331 0.000) 2.331 24.976 ( 0.000 -1.190 0.000) 1.190 24.976 ( 0.000 1.190 0.000) 1.190 25.578 ( 0.000 -5.153 0.000) 5.153 25.578 ( 0.000 5.153 0.000) 5.153 26.355 ( 0.000 -1.291 0.000) 1.291 26.355 ( 0.000 1.291 0.000) 1.291 26.503 ( 0.000 -4.245 0.000) 4.245 26.503 ( 0.000 4.245 0.000) 4.245 27.431 ( 0.000 -0.481 0.000) 0.481 27.431 ( 0.000 0.481 0.000) 0.481 29.178 ( 0.000 -3.533 0.000) 3.533 29.178 ( 0.000 3.533 0.000) 3.533 29.589 ( 0.000 -5.018 0.000) 5.018 29.589 ( 0.000 5.018 0.000) 5.018 29.979 ( 0.000 -0.517 0.000) 0.517 29.979 ( 0.000 0.517 0.000) 0.517 30.176 ( 0.000 -0.387 0.000) 0.387 30.176 ( 0.000 0.387 0.000) 0.387 35.545 ( 0.000 -0.735 0.000) 0.735 35.545 ( 0.000 0.735 0.000) 0.735 35.580 ( 0.000 -0.284 0.000) 0.284 35.580 ( 0.000 0.284 0.000) 0.284 97.450 ( 0.000 -0.401 0.000) 0.401 97.450 ( 0.000 0.401 0.000) 0.401 97.816 ( 0.000 -0.213 0.000) 0.213 97.816 ( 0.000 0.213 0.000) 0.213 100.416 ( 0.000 -2.750 0.000) 2.750 100.416 ( 0.000 2.750 0.000) 2.750 100.702 ( 0.000 -1.459 0.000) 1.459 100.702 ( 0.000 1.459 0.000) 1.459 ======================= Grid point 24 (14/72) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.077 ( 25.319 -42.705 0.000) 49.646 2.077 ( 25.319 42.705 0.000) 49.646 2.193 ( 32.985 -41.951 0.000) 53.366 2.193 ( 32.985 41.951 0.000) 53.366 3.630 ( 31.588 -78.962 0.000) 85.046 3.630 ( 31.588 78.962 0.000) 85.046 4.837 ( 3.642 -19.612 0.000) 19.948 4.837 ( 3.642 19.612 0.000) 19.948 5.057 ( 17.775 -30.289 0.000) 35.119 5.057 ( 17.775 30.289 0.000) 35.119 5.396 ( -0.438 -6.577 0.000) 6.592 5.396 ( -0.438 6.577 0.000) 6.592 5.450 ( 3.901 -4.699 0.000) 6.108 5.450 ( 3.901 4.699 0.000) 6.108 5.876 ( -10.827 -6.517 0.000) 12.637 5.876 ( -10.827 6.517 0.000) 12.637 6.055 ( 2.093 -9.569 0.000) 9.795 6.055 ( 2.093 9.569 0.000) 9.795 6.134 ( -4.150 -4.696 0.000) 6.267 6.134 ( -4.150 4.696 0.000) 6.267 6.562 ( 1.172 -5.387 0.000) 5.513 6.562 ( 1.172 5.387 0.000) 5.513 6.828 ( -8.082 -5.041 0.000) 9.525 6.828 ( -8.082 5.041 0.000) 9.525 7.085 ( -0.167 -6.706 0.000) 6.708 7.085 ( -0.167 6.706 0.000) 6.708 7.190 ( -2.122 -4.008 0.000) 4.535 7.190 ( -2.122 4.008 0.000) 4.535 7.350 ( -6.508 -5.341 0.000) 8.419 7.350 ( -6.508 5.341 0.000) 8.419 7.462 ( -9.928 -1.314 0.000) 10.014 7.462 ( -9.928 1.314 0.000) 10.014 7.602 ( -4.171 -11.982 0.000) 12.688 7.602 ( -4.171 11.982 0.000) 12.688 7.809 ( 1.604 -9.258 0.000) 9.396 7.809 ( 1.604 9.258 0.000) 9.396 7.834 ( 6.581 -2.811 0.000) 7.156 7.834 ( 6.581 2.811 0.000) 7.156 8.121 ( -2.529 -5.871 0.000) 6.393 8.121 ( -2.529 5.871 0.000) 6.393 8.122 ( 1.879 -7.739 0.000) 7.964 8.122 ( 1.879 7.739 0.000) 7.964 8.273 ( -1.362 -5.089 0.000) 5.268 8.273 ( -1.362 5.089 0.000) 5.268 8.503 ( 4.849 -7.352 0.000) 8.807 8.503 ( 4.849 7.352 0.000) 8.807 8.657 ( 5.594 -9.637 0.000) 11.143 8.657 ( 5.594 9.637 0.000) 11.143 8.676 ( 3.302 -7.216 0.000) 7.936 8.676 ( 3.302 7.216 0.000) 7.936 8.901 ( 3.634 -5.544 0.000) 6.628 8.901 ( 3.634 5.544 0.000) 6.628 9.182 ( -4.222 -31.231 0.000) 31.515 9.182 ( -4.222 31.231 0.000) 31.515 9.210 ( -3.805 -6.717 0.000) 7.720 9.210 ( -3.805 6.717 0.000) 7.720 9.474 ( -4.263 -4.154 0.000) 5.952 9.474 ( -4.263 4.154 0.000) 5.952 9.691 ( 1.364 -2.698 0.000) 3.023 9.691 ( 1.364 2.698 0.000) 3.023 9.764 ( 2.377 -7.154 0.000) 7.539 9.764 ( 2.377 7.154 0.000) 7.539 9.906 ( -7.518 -1.015 0.000) 7.586 9.906 ( -7.518 1.015 0.000) 7.586 10.094 ( 4.742 -5.006 0.000) 6.895 10.094 ( 4.742 5.006 0.000) 6.895 10.096 ( -3.329 -2.068 0.000) 3.918 10.096 ( -3.329 2.068 0.000) 3.918 10.261 ( 2.112 -1.001 0.000) 2.337 10.261 ( 2.112 1.001 0.000) 2.337 10.377 ( -3.977 -1.205 0.000) 4.156 10.377 ( -3.977 1.205 0.000) 4.156 10.472 ( -3.186 -4.859 0.000) 5.811 10.472 ( -3.186 4.859 0.000) 5.811 10.607 ( -1.475 -1.025 0.000) 1.796 10.607 ( -1.475 1.025 0.000) 1.796 10.651 ( 1.325 -2.540 0.000) 2.864 10.651 ( 1.325 2.540 0.000) 2.864 10.823 ( -10.967 -2.122 0.000) 11.170 10.823 ( -10.967 2.122 0.000) 11.170 11.014 ( 0.099 -3.599 0.000) 3.601 11.014 ( 0.099 3.599 0.000) 3.601 11.015 ( -5.423 -4.658 0.000) 7.149 11.015 ( -5.423 4.658 0.000) 7.149 11.215 ( -1.545 -2.803 0.000) 3.200 11.215 ( -1.545 2.803 0.000) 3.200 11.466 ( -11.312 -4.343 0.000) 12.117 11.466 ( -11.312 4.343 0.000) 12.117 11.509 ( 7.563 -10.357 0.000) 12.825 11.509 ( 7.563 10.357 0.000) 12.825 11.674 ( -5.145 -6.461 0.000) 8.259 11.674 ( -5.145 6.461 0.000) 8.259 11.843 ( 14.576 -9.658 0.000) 17.485 11.843 ( 14.576 9.658 0.000) 17.485 12.146 ( -1.610 -1.507 0.000) 2.205 12.146 ( -1.610 1.507 0.000) 2.205 12.284 ( 4.503 -5.078 0.000) 6.787 12.284 ( 4.503 5.078 0.000) 6.787 12.434 ( 0.143 -1.734 0.000) 1.740 12.434 ( 0.143 1.734 0.000) 1.740 12.440 ( 10.490 -1.615 0.000) 10.614 12.440 ( 10.490 1.615 0.000) 10.614 12.592 ( 2.118 -2.302 0.000) 3.128 12.592 ( 2.118 2.302 0.000) 3.128 12.921 ( 2.579 -5.359 0.000) 5.947 12.921 ( 2.579 5.359 0.000) 5.947 12.949 ( -9.030 -0.833 0.000) 9.068 12.949 ( -9.030 0.833 0.000) 9.068 13.268 ( 2.265 -6.706 0.000) 7.078 13.268 ( 2.265 6.706 0.000) 7.078 13.440 ( -4.414 -0.214 0.000) 4.419 13.440 ( -4.414 0.214 0.000) 4.419 13.611 ( 1.439 -7.051 0.000) 7.197 13.611 ( 1.439 7.051 0.000) 7.197 13.703 ( -1.579 -3.204 0.000) 3.572 13.703 ( -1.579 3.204 0.000) 3.572 13.921 ( 4.261 -4.163 0.000) 5.957 13.921 ( 4.261 4.163 0.000) 5.957 14.085 ( -3.333 -6.035 0.000) 6.894 14.085 ( -3.333 6.035 0.000) 6.894 14.282 ( -2.459 -3.512 0.000) 4.288 14.282 ( -2.459 3.512 0.000) 4.288 14.370 ( -13.003 -6.269 0.000) 14.435 14.370 ( -13.003 6.269 0.000) 14.435 14.654 ( -3.671 -2.332 0.000) 4.349 14.654 ( -3.671 2.332 0.000) 4.349 14.810 ( 5.012 -3.737 0.000) 6.252 14.810 ( 5.012 3.737 0.000) 6.252 14.854 ( -0.992 -6.007 0.000) 6.089 14.854 ( -0.992 6.007 0.000) 6.089 15.278 ( -5.238 -6.113 0.000) 8.050 15.278 ( -5.238 6.113 0.000) 8.050 15.565 ( -9.785 -3.407 0.000) 10.361 15.565 ( -9.785 3.407 0.000) 10.361 15.625 ( 7.445 -2.290 0.000) 7.789 15.625 ( 7.445 2.290 0.000) 7.789 15.892 ( 2.385 -5.107 0.000) 5.637 15.892 ( 2.385 5.107 0.000) 5.637 15.957 ( 3.936 -8.969 0.000) 9.794 15.957 ( 3.936 8.969 0.000) 9.794 16.392 ( 4.115 -4.783 0.000) 6.310 16.392 ( 4.115 4.783 0.000) 6.310 16.548 ( -5.003 -11.203 0.000) 12.269 16.548 ( -5.003 11.203 0.000) 12.269 16.861 ( 1.700 -8.057 0.000) 8.235 16.861 ( 1.700 8.057 0.000) 8.235 17.030 ( -3.339 -5.432 0.000) 6.377 17.030 ( -3.339 5.432 0.000) 6.377 17.126 ( -1.480 -4.851 0.000) 5.072 17.126 ( -1.480 4.851 0.000) 5.072 17.339 ( 5.056 -3.654 0.000) 6.238 17.339 ( 5.056 3.654 0.000) 6.238 17.415 ( 4.998 -1.738 0.000) 5.291 17.415 ( 4.998 1.738 0.000) 5.291 17.579 ( 0.428 -3.503 0.000) 3.529 17.579 ( 0.428 3.503 0.000) 3.529 17.723 ( 3.868 -2.626 0.000) 4.675 17.723 ( 3.868 2.626 0.000) 4.675 17.953 ( -9.420 -4.214 0.000) 10.319 17.953 ( -9.420 4.214 0.000) 10.319 18.404 ( -1.436 -8.352 0.000) 8.475 18.404 ( -1.436 8.352 0.000) 8.475 18.950 ( 22.238 -6.260 0.000) 23.102 18.950 ( 22.238 6.260 0.000) 23.102 19.788 ( 2.958 -0.985 0.000) 3.117 19.788 ( 2.958 0.985 0.000) 3.117 19.823 ( 1.028 -2.580 0.000) 2.777 19.823 ( 1.028 2.580 0.000) 2.777 21.490 ( -21.226 -7.416 0.000) 22.484 21.490 ( -21.226 7.416 0.000) 22.484 23.729 ( -9.397 -2.160 0.000) 9.642 23.729 ( -9.397 2.160 0.000) 9.642 23.899 ( -3.541 -0.897 0.000) 3.653 23.899 ( -3.541 0.897 0.000) 3.653 24.575 ( 1.367 -0.177 0.000) 1.378 24.575 ( 1.367 0.177 0.000) 1.378 24.861 ( 6.253 -3.286 0.000) 7.064 24.861 ( 6.253 3.286 0.000) 7.064 24.899 ( 0.105 -1.753 0.000) 1.756 24.899 ( 0.105 1.753 0.000) 1.756 25.213 ( 21.293 -8.599 0.000) 22.964 25.213 ( 21.293 8.599 0.000) 22.964 25.580 ( 0.228 -4.925 0.000) 4.930 25.580 ( 0.228 4.925 0.000) 4.930 26.346 ( -0.441 -3.035 0.000) 3.066 26.346 ( -0.441 3.035 0.000) 3.066 26.461 ( -4.143 -4.037 0.000) 5.785 26.461 ( -4.143 4.037 0.000) 5.785 27.340 ( -7.714 -3.708 0.000) 8.558 27.340 ( -7.714 3.708 0.000) 8.558 29.188 ( 1.050 -3.344 0.000) 3.505 29.188 ( 1.050 3.344 0.000) 3.505 29.573 ( -1.559 -4.598 0.000) 4.855 29.573 ( -1.559 4.598 0.000) 4.855 29.981 ( 3.195 -2.080 0.000) 3.813 29.981 ( 3.195 2.080 0.000) 3.813 30.374 ( 14.139 -8.014 0.000) 16.253 30.374 ( 14.139 8.014 0.000) 16.253 35.497 ( -4.628 -1.885 0.000) 4.998 35.497 ( -4.628 1.885 0.000) 4.998 35.547 ( -2.532 -1.005 0.000) 2.725 35.547 ( -2.532 1.005 0.000) 2.725 97.458 ( 0.732 -0.362 0.000) 0.817 97.458 ( 0.732 0.362 0.000) 0.817 97.804 ( -1.215 -0.359 0.000) 1.267 97.804 ( -1.215 0.359 0.000) 1.267 100.342 ( -6.274 -5.417 0.000) 8.289 100.342 ( -6.274 5.417 0.000) 8.289 100.642 ( -4.653 -2.421 0.000) 5.245 100.642 ( -4.653 2.421 0.000) 5.245 ======================= Grid point 26 (15/72) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.700 ( 36.204 -31.828 0.000) 48.206 2.700 ( 36.204 31.828 0.000) 48.206 2.887 ( 35.930 -37.742 0.000) 52.110 2.887 ( 35.930 37.742 0.000) 52.110 4.491 ( 52.096 -53.723 0.000) 74.834 4.491 ( 52.096 53.723 0.000) 74.834 4.906 ( 1.939 -9.914 0.000) 10.102 4.906 ( 1.939 9.914 0.000) 10.102 5.349 ( -3.434 -13.869 0.000) 14.288 5.349 ( -3.434 13.869 0.000) 14.288 5.440 ( 17.067 -17.347 0.000) 24.335 5.440 ( 17.067 17.347 0.000) 24.335 5.658 ( 20.560 -19.757 0.000) 28.514 5.658 ( 20.560 19.757 0.000) 28.514 5.731 ( -2.800 -4.054 0.000) 4.927 5.731 ( -2.800 4.054 0.000) 4.927 6.015 ( -6.669 -5.628 0.000) 8.726 6.015 ( -6.669 5.628 0.000) 8.726 6.136 ( 6.529 -11.866 0.000) 13.544 6.136 ( 6.529 11.866 0.000) 13.544 6.564 ( -4.161 -5.545 0.000) 6.933 6.564 ( -4.161 5.545 0.000) 6.933 6.636 ( -7.842 -7.474 0.000) 10.833 6.636 ( -7.842 7.474 0.000) 10.833 7.053 ( -12.903 -5.027 0.000) 13.848 7.053 ( -12.903 5.027 0.000) 13.848 7.107 ( 1.248 -5.324 0.000) 5.468 7.107 ( 1.248 5.324 0.000) 5.468 7.177 ( -9.528 -9.648 0.000) 13.560 7.177 ( -9.528 9.648 0.000) 13.560 7.223 ( -13.370 -2.671 0.000) 13.634 7.223 ( -13.370 2.671 0.000) 13.634 7.472 ( -4.550 -7.287 0.000) 8.591 7.472 ( -4.550 7.287 0.000) 8.591 7.911 ( 2.699 -16.173 0.000) 16.397 7.911 ( 2.699 16.173 0.000) 16.397 7.913 ( -1.911 -7.856 0.000) 8.085 7.913 ( -1.911 7.856 0.000) 8.085 8.072 ( 0.745 -7.828 0.000) 7.864 8.072 ( 0.745 7.828 0.000) 7.864 8.088 ( -5.603 -4.169 0.000) 6.983 8.088 ( -5.603 4.169 0.000) 6.983 8.245 ( -0.122 -11.422 0.000) 11.423 8.245 ( -0.122 11.422 0.000) 11.423 8.445 ( -5.506 -6.861 0.000) 8.797 8.445 ( -5.506 6.861 0.000) 8.797 8.679 ( -3.479 -3.262 0.000) 4.769 8.679 ( -3.479 3.262 0.000) 4.769 8.895 ( 9.265 -9.000 0.000) 12.916 8.895 ( 9.265 9.000 0.000) 12.916 8.948 ( 0.160 -15.526 0.000) 15.526 8.948 ( 0.160 15.526 0.000) 15.526 9.111 ( -5.541 -17.996 0.000) 18.830 9.111 ( -5.541 17.996 0.000) 18.830 9.161 ( 0.446 -1.955 0.000) 2.005 9.161 ( 0.446 1.955 0.000) 2.005 9.347 ( -2.691 -7.274 0.000) 7.755 9.347 ( -2.691 7.274 0.000) 7.755 9.596 ( -15.379 -0.985 0.000) 15.411 9.596 ( -15.379 0.985 0.000) 15.411 9.748 ( -1.353 -1.532 0.000) 2.044 9.748 ( -1.353 1.532 0.000) 2.044 9.853 ( 4.409 -2.718 0.000) 5.179 9.853 ( 4.409 2.718 0.000) 5.179 10.066 ( -2.708 -6.228 0.000) 6.792 10.066 ( -2.708 6.228 0.000) 6.792 10.134 ( -4.661 -2.903 0.000) 5.492 10.134 ( -4.661 2.903 0.000) 5.492 10.278 ( -1.623 -1.707 0.000) 2.355 10.278 ( -1.623 1.707 0.000) 2.355 10.316 ( 0.042 -4.533 0.000) 4.533 10.316 ( 0.042 4.533 0.000) 4.533 10.398 ( 5.287 -6.323 0.000) 8.242 10.398 ( 5.287 6.323 0.000) 8.242 10.468 ( -13.775 -2.320 0.000) 13.969 10.468 ( -13.775 2.320 0.000) 13.969 10.690 ( -0.477 -1.867 0.000) 1.926 10.690 ( -0.477 1.867 0.000) 1.926 10.770 ( 4.688 -3.010 0.000) 5.571 10.770 ( 4.688 3.010 0.000) 5.571 10.947 ( -1.366 -3.317 0.000) 3.588 10.947 ( -1.366 3.317 0.000) 3.588 10.971 ( -2.915 -5.124 0.000) 5.895 10.971 ( -2.915 5.124 0.000) 5.895 11.186 ( -1.795 -1.719 0.000) 2.486 11.186 ( -1.795 1.719 0.000) 2.486 11.222 ( -10.978 -4.248 0.000) 11.771 11.222 ( -10.978 4.248 0.000) 11.771 11.554 ( -5.919 -3.454 0.000) 6.853 11.554 ( -5.919 3.454 0.000) 6.853 11.683 ( 8.794 -10.670 0.000) 13.827 11.683 ( 8.794 10.670 0.000) 13.827 12.095 ( 8.015 -9.191 0.000) 12.195 12.095 ( 8.015 9.191 0.000) 12.195 12.113 ( -1.715 -0.600 0.000) 1.816 12.113 ( -1.715 0.600 0.000) 1.816 12.425 ( -0.962 -3.531 0.000) 3.660 12.425 ( -0.962 3.531 0.000) 3.660 12.445 ( 9.347 -3.586 0.000) 10.011 12.445 ( 9.347 3.586 0.000) 10.011 12.601 ( 3.402 -6.951 0.000) 7.739 12.601 ( 3.402 6.951 0.000) 7.739 12.620 ( 0.747 -1.701 0.000) 1.858 12.620 ( 0.747 1.701 0.000) 1.858 12.827 ( 3.824 -2.793 0.000) 4.736 12.827 ( 3.824 2.793 0.000) 4.736 12.987 ( 3.050 -3.072 0.000) 4.329 12.987 ( 3.050 3.072 0.000) 4.329 13.213 ( -11.693 -7.439 0.000) 13.859 13.213 ( -11.693 7.439 0.000) 13.859 13.364 ( -1.884 -2.512 0.000) 3.140 13.364 ( -1.884 2.512 0.000) 3.140 13.622 ( 0.516 -9.507 0.000) 9.521 13.622 ( 0.516 9.507 0.000) 9.521 13.663 ( -2.175 -1.984 0.000) 2.945 13.663 ( -2.175 1.984 0.000) 2.945 14.023 ( 5.861 -10.201 0.000) 11.765 14.023 ( 5.861 10.201 0.000) 11.765 14.038 ( -1.137 -5.150 0.000) 5.274 14.038 ( -1.137 5.150 0.000) 5.274 14.232 ( -0.701 -6.201 0.000) 6.241 14.232 ( -0.701 6.201 0.000) 6.241 14.243 ( -2.070 -5.585 0.000) 5.956 14.243 ( -2.070 5.585 0.000) 5.956 14.499 ( -9.819 -6.261 0.000) 11.646 14.499 ( -9.819 6.261 0.000) 11.646 14.840 ( -1.835 -8.406 0.000) 8.604 14.840 ( -1.835 8.406 0.000) 8.604 14.859 ( 0.353 -5.131 0.000) 5.143 14.859 ( 0.353 5.131 0.000) 5.143 15.086 ( -12.288 -1.228 0.000) 12.349 15.086 ( -12.288 1.228 0.000) 12.349 15.510 ( 4.078 -2.998 0.000) 5.062 15.510 ( 4.078 2.998 0.000) 5.062 15.766 ( 4.668 -2.443 0.000) 5.268 15.766 ( 4.668 2.443 0.000) 5.268 15.983 ( 6.015 -3.097 0.000) 6.765 15.983 ( 6.015 3.097 0.000) 6.765 15.989 ( -0.669 -7.393 0.000) 7.423 15.989 ( -0.669 7.393 0.000) 7.423 16.410 ( -7.142 -6.396 0.000) 9.588 16.410 ( -7.142 6.396 0.000) 9.588 16.427 ( 0.280 -3.912 0.000) 3.922 16.427 ( 0.280 3.912 0.000) 3.922 16.930 ( 3.871 -10.107 0.000) 10.823 16.930 ( 3.871 10.107 0.000) 10.823 17.014 ( 1.664 -3.436 0.000) 3.818 17.014 ( 1.664 3.436 0.000) 3.818 17.095 ( -2.112 -7.287 0.000) 7.587 17.095 ( -2.112 7.287 0.000) 7.587 17.423 ( 3.278 -2.018 0.000) 3.850 17.423 ( 3.278 2.018 0.000) 3.850 17.461 ( 0.558 -0.777 0.000) 0.957 17.461 ( 0.558 0.777 0.000) 0.957 17.597 ( 1.399 -4.529 0.000) 4.740 17.597 ( 1.399 4.529 0.000) 4.740 17.805 ( -0.049 -5.175 0.000) 5.175 17.805 ( -0.049 5.175 0.000) 5.175 17.823 ( -0.630 -3.475 0.000) 3.531 17.823 ( -0.630 3.475 0.000) 3.531 18.388 ( -0.015 -6.834 0.000) 6.835 18.388 ( -0.015 6.834 0.000) 6.835 19.328 ( 14.026 -6.848 0.000) 15.609 19.328 ( 14.026 6.848 0.000) 15.609 19.845 ( 0.896 -2.926 0.000) 3.060 19.845 ( 0.896 2.926 0.000) 3.060 19.862 ( 4.235 -0.706 0.000) 4.294 19.862 ( 4.235 0.706 0.000) 4.294 21.132 ( -12.826 -13.056 0.000) 18.302 21.132 ( -12.826 13.056 0.000) 18.302 23.574 ( -6.264 -0.435 0.000) 6.279 23.574 ( -6.264 0.435 0.000) 6.279 23.796 ( -6.449 -0.321 0.000) 6.457 23.796 ( -6.449 0.321 0.000) 6.457 24.612 ( 2.293 -1.240 0.000) 2.607 24.612 ( 2.293 1.240 0.000) 2.607 24.904 ( 0.522 -1.135 0.000) 1.249 24.904 ( 0.522 1.135 0.000) 1.249 24.956 ( 3.921 -3.580 0.000) 5.309 24.956 ( 3.921 3.580 0.000) 5.309 25.566 ( 12.297 -12.043 0.000) 17.212 25.566 ( 12.297 12.043 0.000) 17.212 25.587 ( 0.453 -4.207 0.000) 4.231 25.587 ( 0.453 4.207 0.000) 4.231 26.348 ( -7.206 -3.397 0.000) 7.966 26.348 ( -7.206 3.397 0.000) 7.966 26.367 ( 3.289 -5.851 0.000) 6.712 26.367 ( 3.289 5.851 0.000) 6.712 27.183 ( -7.625 -6.925 0.000) 10.301 27.183 ( -7.625 6.925 0.000) 10.301 29.217 ( 1.874 -2.834 0.000) 3.397 29.217 ( 1.874 2.834 0.000) 3.397 29.532 ( -2.499 -3.559 0.000) 4.349 29.532 ( -2.499 3.559 0.000) 4.349 30.111 ( 9.375 -1.542 0.000) 9.501 30.111 ( 9.375 1.542 0.000) 9.501 30.614 ( 9.628 -9.534 0.000) 13.550 30.614 ( 9.628 9.534 0.000) 13.550 35.400 ( -4.681 -2.771 0.000) 5.440 35.400 ( -4.681 2.771 0.000) 5.440 35.486 ( -3.642 -0.906 0.000) 3.753 35.486 ( -3.642 0.906 0.000) 3.753 97.479 ( 1.419 -0.262 0.000) 1.443 97.479 ( 1.419 0.262 0.000) 1.443 97.771 ( -2.168 -0.535 0.000) 2.233 97.771 ( -2.168 0.535 0.000) 2.233 100.231 ( -4.261 -6.782 0.000) 8.009 100.231 ( -4.261 6.782 0.000) 8.009 100.547 ( -5.035 -0.544 0.000) 5.065 100.547 ( -5.035 0.544 0.000) 5.065 ======================= Grid point 28 (16/72) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.428 ( 37.079 -22.918 0.000) 43.590 3.428 ( 37.079 22.918 0.000) 43.590 3.591 ( 36.309 -31.558 0.000) 48.107 3.591 ( 36.309 31.558 0.000) 48.107 4.880 ( -3.299 -2.961 0.000) 4.432 4.880 ( -3.299 2.961 0.000) 4.432 5.329 ( 23.541 -17.183 0.000) 29.145 5.329 ( 23.541 17.183 0.000) 29.145 5.338 ( 1.829 -16.601 0.000) 16.701 5.338 ( 1.829 16.601 0.000) 16.701 5.704 ( -2.559 -2.453 0.000) 3.545 5.704 ( -2.559 2.453 0.000) 3.545 5.847 ( 24.230 -11.581 0.000) 26.856 5.847 ( 24.230 11.581 0.000) 26.856 5.896 ( -5.371 -4.653 0.000) 7.106 5.896 ( -5.371 4.653 0.000) 7.106 6.166 ( 30.481 -12.580 0.000) 32.975 6.166 ( 30.481 12.580 0.000) 32.975 6.328 ( 14.125 -6.643 0.000) 15.610 6.328 ( 14.125 6.643 0.000) 15.610 6.410 ( -5.696 -8.481 0.000) 10.216 6.410 ( -5.696 8.481 0.000) 10.216 6.561 ( -3.522 -2.320 0.000) 4.218 6.561 ( -3.522 2.320 0.000) 4.218 6.727 ( -13.759 -9.907 0.000) 16.954 6.727 ( -13.759 9.907 0.000) 16.954 6.881 ( -16.137 -11.213 0.000) 19.651 6.881 ( -16.137 11.213 0.000) 19.651 7.082 ( -0.918 -11.014 0.000) 11.052 7.082 ( -0.918 11.014 0.000) 11.052 7.216 ( 5.528 -13.921 0.000) 14.979 7.216 ( 5.528 13.921 0.000) 14.979 7.426 ( -0.731 -9.348 0.000) 9.376 7.426 ( -0.731 9.348 0.000) 9.376 7.730 ( -15.245 -7.326 0.000) 16.914 7.730 ( -15.245 7.326 0.000) 16.914 7.812 ( -6.689 -5.623 0.000) 8.738 7.812 ( -6.689 5.623 0.000) 8.738 8.061 ( -4.503 -9.839 0.000) 10.821 8.061 ( -4.503 9.839 0.000) 10.821 8.061 ( -1.551 -5.511 0.000) 5.725 8.061 ( -1.551 5.511 0.000) 5.725 8.230 ( -3.255 -11.772 0.000) 12.214 8.230 ( -3.255 11.772 0.000) 12.214 8.366 ( -1.430 -1.816 0.000) 2.311 8.366 ( -1.430 1.816 0.000) 2.311 8.566 ( -5.602 -2.395 0.000) 6.093 8.566 ( -5.602 2.395 0.000) 6.093 8.815 ( -12.483 -6.379 0.000) 14.018 8.815 ( -12.483 6.379 0.000) 14.018 8.911 ( -7.927 -3.611 0.000) 8.711 8.911 ( -7.927 3.611 0.000) 8.711 9.070 ( 3.898 -21.162 0.000) 21.518 9.070 ( 3.898 21.162 0.000) 21.518 9.102 ( -9.524 -4.138 0.000) 10.384 9.102 ( -9.524 4.138 0.000) 10.384 9.382 ( -0.649 -1.370 0.000) 1.516 9.382 ( -0.649 1.370 0.000) 1.516 9.401 ( 4.766 -13.707 0.000) 14.512 9.401 ( 4.766 13.707 0.000) 14.512 9.761 ( 0.332 -3.686 0.000) 3.701 9.761 ( 0.332 3.686 0.000) 3.701 9.836 ( -7.058 -2.098 0.000) 7.363 9.836 ( -7.058 2.098 0.000) 7.363 9.994 ( -3.609 -3.528 0.000) 5.047 9.994 ( -3.609 3.528 0.000) 5.047 10.061 ( -0.670 -2.025 0.000) 2.133 10.061 ( -0.670 2.025 0.000) 2.133 10.183 ( -9.988 -0.275 0.000) 9.992 10.183 ( -9.988 0.275 0.000) 9.992 10.246 ( -1.377 -2.265 0.000) 2.651 10.246 ( -1.377 2.265 0.000) 2.651 10.382 ( 1.232 -5.924 0.000) 6.051 10.382 ( 1.232 5.924 0.000) 6.051 10.565 ( 8.572 -7.994 0.000) 11.721 10.565 ( 8.572 7.994 0.000) 11.721 10.701 ( -13.080 -8.164 0.000) 15.418 10.701 ( -13.080 8.164 0.000) 15.418 10.715 ( 3.528 -3.608 0.000) 5.046 10.715 ( 3.528 3.608 0.000) 5.046 10.940 ( -0.216 -6.137 0.000) 6.141 10.940 ( -0.216 6.137 0.000) 6.141 10.943 ( 2.921 -2.653 0.000) 3.945 10.943 ( 2.921 2.653 0.000) 3.945 11.140 ( 1.583 -0.868 0.000) 1.806 11.140 ( 1.583 0.868 0.000) 1.806 11.168 ( 0.897 -3.305 0.000) 3.424 11.168 ( 0.897 3.305 0.000) 3.424 11.453 ( -4.297 -5.774 0.000) 7.198 11.453 ( -4.297 5.774 0.000) 7.198 11.763 ( -2.407 -3.889 0.000) 4.573 11.763 ( -2.407 3.889 0.000) 4.573 12.125 ( 3.843 -4.123 0.000) 5.636 12.125 ( 3.843 4.123 0.000) 5.636 12.126 ( -4.191 -8.517 0.000) 9.492 12.126 ( -4.191 8.517 0.000) 9.492 12.392 ( -2.157 -5.128 0.000) 5.563 12.392 ( -2.157 5.128 0.000) 5.563 12.505 ( 3.355 -2.146 0.000) 3.983 12.505 ( 3.355 2.146 0.000) 3.983 12.629 ( 0.540 -2.619 0.000) 2.674 12.629 ( 0.540 2.619 0.000) 2.674 12.762 ( -5.028 -2.550 0.000) 5.638 12.762 ( -5.028 2.550 0.000) 5.638 12.893 ( 0.940 -8.810 0.000) 8.860 12.893 ( 0.940 8.810 0.000) 8.860 13.023 ( 7.279 -5.326 0.000) 9.020 13.023 ( 7.279 5.326 0.000) 9.020 13.024 ( 0.963 -0.594 0.000) 1.132 13.024 ( 0.963 0.594 0.000) 1.132 13.360 ( -0.225 -6.978 0.000) 6.982 13.360 ( -0.225 6.978 0.000) 6.982 13.641 ( 0.718 -2.575 0.000) 2.673 13.641 ( 0.718 2.575 0.000) 2.673 13.646 ( 1.947 -3.493 0.000) 3.999 13.646 ( 1.947 3.493 0.000) 3.999 14.041 ( 1.284 -3.541 0.000) 3.766 14.041 ( 1.284 3.541 0.000) 3.766 14.092 ( -3.549 -4.924 0.000) 6.070 14.092 ( -3.549 4.924 0.000) 6.070 14.191 ( -3.212 -6.730 0.000) 7.457 14.191 ( -3.212 6.730 0.000) 7.457 14.198 ( -0.038 -11.199 0.000) 11.199 14.198 ( -0.038 11.199 0.000) 11.199 14.434 ( 1.916 -6.325 0.000) 6.609 14.434 ( 1.916 6.325 0.000) 6.609 14.692 ( -8.992 -16.762 0.000) 19.022 14.692 ( -8.992 16.762 0.000) 19.022 14.860 ( 0.707 -5.488 0.000) 5.534 14.860 ( 0.707 5.488 0.000) 5.534 15.002 ( 1.565 -10.242 0.000) 10.361 15.002 ( 1.565 10.242 0.000) 10.361 15.615 ( 5.340 -8.875 0.000) 10.357 15.615 ( 5.340 8.875 0.000) 10.357 15.793 ( -2.509 -5.352 0.000) 5.911 15.793 ( -2.509 5.352 0.000) 5.911 15.935 ( -3.835 -2.063 0.000) 4.354 15.935 ( -3.835 2.063 0.000) 4.354 15.973 ( -6.506 -8.264 0.000) 10.518 15.973 ( -6.506 8.264 0.000) 10.518 16.412 ( 7.273 -1.912 0.000) 7.520 16.412 ( 7.273 1.912 0.000) 7.520 16.444 ( 1.459 -3.443 0.000) 3.740 16.444 ( 1.459 3.443 0.000) 3.740 16.968 ( -0.308 -7.827 0.000) 7.833 16.968 ( -0.308 7.827 0.000) 7.833 17.041 ( -3.320 -4.987 0.000) 5.991 17.041 ( -3.320 4.987 0.000) 5.991 17.072 ( 3.590 -2.185 0.000) 4.203 17.072 ( 3.590 2.185 0.000) 4.203 17.471 ( 1.977 -4.046 0.000) 4.503 17.471 ( 1.977 4.046 0.000) 4.503 17.476 ( 1.756 -2.541 0.000) 3.089 17.476 ( 1.756 2.541 0.000) 3.089 17.628 ( 1.563 -2.994 0.000) 3.377 17.628 ( 1.563 2.994 0.000) 3.377 17.746 ( -2.647 -1.192 0.000) 2.903 17.746 ( -2.647 1.192 0.000) 2.903 17.857 ( 0.263 -2.457 0.000) 2.471 17.857 ( 0.263 2.457 0.000) 2.471 18.416 ( 3.019 -4.525 0.000) 5.440 18.416 ( 3.019 4.525 0.000) 5.440 19.449 ( -1.440 -4.467 0.000) 4.694 19.449 ( -1.440 4.467 0.000) 4.694 19.857 ( 0.637 -2.291 0.000) 2.378 19.857 ( 0.637 2.291 0.000) 2.378 19.942 ( 3.672 -0.490 0.000) 3.705 19.942 ( 3.672 0.490 0.000) 3.705 21.018 ( 0.312 -11.122 0.000) 11.126 21.018 ( 0.312 11.122 0.000) 11.126 23.484 ( -3.031 -1.305 0.000) 3.300 23.484 ( -3.031 1.305 0.000) 3.300 23.665 ( -6.462 -0.262 0.000) 6.467 23.665 ( -6.462 0.262 0.000) 6.467 24.657 ( 2.183 -2.571 0.000) 3.373 24.657 ( 2.183 2.571 0.000) 3.373 24.922 ( 1.377 -2.752 0.000) 3.077 24.922 ( 1.377 2.752 0.000) 3.077 25.018 ( 2.442 -3.935 0.000) 4.631 25.018 ( 2.442 3.935 0.000) 4.631 25.598 ( 0.684 -2.999 0.000) 3.076 25.598 ( 0.684 2.999 0.000) 3.076 25.696 ( 2.252 -7.186 0.000) 7.531 25.696 ( 2.252 7.186 0.000) 7.531 26.193 ( -8.146 -2.366 0.000) 8.482 26.193 ( -8.146 2.366 0.000) 8.482 26.471 ( 6.521 -6.545 0.000) 9.238 26.471 ( 6.521 6.545 0.000) 9.238 27.051 ( -5.806 -6.234 0.000) 8.519 27.051 ( -5.806 6.234 0.000) 8.519 29.259 ( 2.337 -2.144 0.000) 3.172 29.259 ( 2.337 2.144 0.000) 3.172 29.480 ( -2.740 -2.366 0.000) 3.621 29.480 ( -2.740 2.366 0.000) 3.621 30.320 ( 11.324 -1.244 0.000) 11.392 30.320 ( 11.324 1.244 0.000) 11.392 30.747 ( 4.056 -7.080 0.000) 8.160 30.747 ( 4.056 7.080 0.000) 8.160 35.325 ( -2.960 -1.793 0.000) 3.461 35.325 ( -2.960 1.793 0.000) 3.461 35.410 ( -3.959 -0.644 0.000) 4.011 35.410 ( -3.959 0.644 0.000) 4.011 97.513 ( 2.019 -0.176 0.000) 2.026 97.513 ( 2.019 0.176 0.000) 2.026 97.722 ( -2.729 -0.601 0.000) 2.795 97.722 ( -2.729 0.601 0.000) 2.795 100.182 ( -0.894 -4.900 0.000) 4.981 100.182 ( -0.894 4.900 0.000) 4.981 100.446 ( -5.138 -0.637 0.000) 5.177 100.446 ( -5.138 0.637 0.000) 5.177 ======================= Grid point 30 (17/72) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 64 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.107 ( 31.202 -15.265 0.000) 34.736 4.107 ( 31.202 15.265 0.000) 34.736 4.303 ( 36.068 -22.459 0.000) 42.489 4.303 ( 36.068 22.459 0.000) 42.489 4.832 ( -2.230 -3.830 0.000) 4.432 4.832 ( -2.230 3.830 0.000) 4.432 5.337 ( -2.831 -11.682 0.000) 12.021 5.337 ( -2.831 11.682 0.000) 12.021 5.459 ( -10.158 -4.096 0.000) 10.953 5.459 ( -10.158 4.096 0.000) 10.953 5.552 ( -11.914 -4.791 0.000) 12.841 5.552 ( -11.914 4.791 0.000) 12.841 5.857 ( 1.679 -6.429 0.000) 6.644 5.857 ( 1.679 6.429 0.000) 6.644 6.014 ( 1.000 -1.877 0.000) 2.126 6.014 ( 1.000 1.877 0.000) 2.126 6.375 ( 0.079 -2.601 0.000) 2.602 6.375 ( 0.079 2.601 0.000) 2.602 6.386 ( -0.086 -13.400 0.000) 13.401 6.386 ( -0.086 13.400 0.000) 13.401 6.508 ( -2.274 -2.713 0.000) 3.540 6.508 ( -2.274 2.713 0.000) 3.540 6.635 ( -6.369 -6.056 0.000) 8.789 6.635 ( -6.369 6.056 0.000) 8.789 6.712 ( 13.486 -6.318 0.000) 14.893 6.712 ( 13.486 6.318 0.000) 14.893 6.952 ( 12.404 -3.518 0.000) 12.893 6.952 ( 12.404 3.518 0.000) 12.893 7.156 ( 15.984 -5.971 0.000) 17.063 7.156 ( 15.984 5.971 0.000) 17.063 7.310 ( 2.561 -12.539 0.000) 12.798 7.310 ( 2.561 12.539 0.000) 12.798 7.431 ( -2.038 -2.035 0.000) 2.880 7.431 ( -2.038 2.035 0.000) 2.880 7.589 ( 7.757 -5.533 0.000) 9.528 7.589 ( 7.757 5.533 0.000) 9.528 7.669 ( -6.562 -4.481 0.000) 7.946 7.669 ( -6.562 4.481 0.000) 7.946 7.939 ( -3.538 -7.721 0.000) 8.493 7.939 ( -3.538 7.721 0.000) 8.493 7.948 ( -5.207 -5.648 0.000) 7.682 7.948 ( -5.207 5.648 0.000) 7.682 8.121 ( -6.630 -5.285 0.000) 8.478 8.121 ( -6.630 5.285 0.000) 8.478 8.357 ( -0.327 -4.164 0.000) 4.177 8.357 ( -0.327 4.164 0.000) 4.177 8.518 ( -2.196 -0.636 0.000) 2.286 8.518 ( -2.196 0.636 0.000) 2.286 8.606 ( -16.119 -4.735 0.000) 16.800 8.606 ( -16.119 4.735 0.000) 16.800 8.622 ( -3.910 -2.249 0.000) 4.511 8.622 ( -3.910 2.249 0.000) 4.511 9.044 ( 1.024 -5.086 0.000) 5.188 9.044 ( 1.024 5.086 0.000) 5.188 9.144 ( -1.325 -10.211 0.000) 10.296 9.144 ( -1.325 10.211 0.000) 10.296 9.421 ( 2.918 -2.454 0.000) 3.812 9.421 ( 2.918 2.454 0.000) 3.812 9.483 ( 3.108 -14.287 0.000) 14.621 9.483 ( 3.108 14.287 0.000) 14.621 9.621 ( -12.459 -4.113 0.000) 13.120 9.621 ( -12.459 4.113 0.000) 13.120 9.697 ( -6.185 -2.354 0.000) 6.618 9.697 ( -6.185 2.354 0.000) 6.618 9.945 ( -0.825 -3.691 0.000) 3.782 9.945 ( -0.825 3.691 0.000) 3.782 10.043 ( -2.575 -1.039 0.000) 2.776 10.043 ( -2.575 1.039 0.000) 2.776 10.059 ( -4.403 -4.954 0.000) 6.628 10.059 ( -4.403 4.954 0.000) 6.628 10.203 ( -3.544 -0.553 0.000) 3.587 10.203 ( -3.544 0.553 0.000) 3.587 10.387 ( 0.247 -1.737 0.000) 1.755 10.387 ( 0.247 1.737 0.000) 1.755 10.396 ( -10.542 -1.781 0.000) 10.691 10.396 ( -10.542 1.781 0.000) 10.691 10.761 ( 8.862 -9.978 0.000) 13.345 10.761 ( 8.862 9.978 0.000) 13.345 10.824 ( 6.092 -7.157 0.000) 9.399 10.824 ( 6.092 7.157 0.000) 9.399 10.944 ( 0.306 -6.215 0.000) 6.222 10.944 ( 0.306 6.215 0.000) 6.222 10.990 ( 0.345 -3.339 0.000) 3.356 10.990 ( 0.345 3.339 0.000) 3.356 11.191 ( 2.536 -2.986 0.000) 3.917 11.191 ( 2.536 2.986 0.000) 3.917 11.239 ( 6.153 -2.451 0.000) 6.624 11.239 ( 6.153 2.451 0.000) 6.624 11.391 ( -1.844 -5.040 0.000) 5.366 11.391 ( -1.844 5.040 0.000) 5.366 11.632 ( -9.039 -0.504 0.000) 9.053 11.632 ( -9.039 0.504 0.000) 9.053 12.028 ( -3.879 -5.337 0.000) 6.598 12.028 ( -3.879 5.337 0.000) 6.598 12.162 ( -1.685 -2.365 0.000) 2.904 12.162 ( -1.685 2.365 0.000) 2.904 12.359 ( -16.695 -2.424 0.000) 16.870 12.359 ( -16.695 2.424 0.000) 16.870 12.422 ( 6.310 -2.527 0.000) 6.797 12.422 ( 6.310 2.527 0.000) 6.797 12.630 ( -1.164 -3.109 0.000) 3.319 12.630 ( -1.164 3.109 0.000) 3.319 12.706 ( 10.316 -4.945 0.000) 11.440 12.706 ( 10.316 4.945 0.000) 11.440 13.032 ( 0.078 -1.641 0.000) 1.643 13.032 ( 0.078 1.641 0.000) 1.643 13.081 ( -2.333 -6.306 0.000) 6.723 13.081 ( -2.333 6.306 0.000) 6.723 13.142 ( 11.629 -1.801 0.000) 11.768 13.142 ( 11.629 1.801 0.000) 11.768 13.321 ( -3.113 -6.152 0.000) 6.895 13.321 ( -3.113 6.152 0.000) 6.895 13.694 ( 3.813 -3.042 0.000) 4.878 13.694 ( 3.813 3.042 0.000) 4.878 13.709 ( 4.712 -3.753 0.000) 6.025 13.709 ( 4.712 3.753 0.000) 6.025 13.948 ( -7.482 -6.126 0.000) 9.670 13.948 ( -7.482 6.126 0.000) 9.670 14.057 ( -0.899 -3.145 0.000) 3.271 14.057 ( -0.899 3.145 0.000) 3.271 14.140 ( -0.883 -6.489 0.000) 6.549 14.140 ( -0.883 6.489 0.000) 6.549 14.254 ( 2.318 -12.561 0.000) 12.773 14.254 ( 2.318 12.561 0.000) 12.773 14.390 ( -4.409 -7.216 0.000) 8.457 14.390 ( -4.409 7.216 0.000) 8.457 14.638 ( 1.268 -11.625 0.000) 11.694 14.638 ( 1.268 11.625 0.000) 11.694 14.908 ( 4.076 -4.663 0.000) 6.193 14.908 ( 4.076 4.663 0.000) 6.193 15.050 ( 2.517 -7.074 0.000) 7.508 15.050 ( 2.517 7.074 0.000) 7.508 15.631 ( -11.147 -5.249 0.000) 12.321 15.631 ( -11.147 5.249 0.000) 12.321 15.660 ( -1.663 -7.073 0.000) 7.266 15.660 ( -1.663 7.073 0.000) 7.266 15.907 ( -0.592 -1.968 0.000) 2.055 15.907 ( -0.592 1.968 0.000) 2.055 15.921 ( 3.523 -0.877 0.000) 3.630 15.921 ( 3.523 0.877 0.000) 3.630 16.463 ( 0.005 -3.269 0.000) 3.269 16.463 ( 0.005 3.269 0.000) 3.269 16.560 ( 6.086 -1.342 0.000) 6.233 16.560 ( 6.086 1.342 0.000) 6.233 16.936 ( -2.123 -1.896 0.000) 2.846 16.936 ( -2.123 1.896 0.000) 2.846 16.969 ( -3.589 -6.099 0.000) 7.077 16.969 ( -3.589 6.099 0.000) 7.077 17.133 ( 2.262 -1.167 0.000) 2.545 17.133 ( 2.262 1.167 0.000) 2.545 17.506 ( 1.482 -3.358 0.000) 3.670 17.506 ( 1.482 3.358 0.000) 3.670 17.535 ( 3.861 -1.554 0.000) 4.162 17.535 ( 3.861 1.554 0.000) 4.162 17.651 ( 0.731 -1.277 0.000) 1.471 17.651 ( 0.731 1.277 0.000) 1.471 17.697 ( -2.500 -0.684 0.000) 2.592 17.697 ( -2.500 0.684 0.000) 2.592 17.839 ( -1.569 -1.209 0.000) 1.980 17.839 ( -1.569 1.209 0.000) 1.980 18.495 ( 4.417 -2.136 0.000) 4.906 18.495 ( 4.417 2.136 0.000) 4.906 19.340 ( -7.194 -1.995 0.000) 7.465 19.340 ( -7.194 1.995 0.000) 7.465 19.873 ( 0.810 -0.867 0.000) 1.186 19.873 ( 0.810 0.867 0.000) 1.186 19.999 ( 2.030 -0.280 0.000) 2.049 19.999 ( 2.030 0.280 0.000) 2.049 21.074 ( 3.607 -5.636 0.000) 6.691 21.074 ( 3.607 5.636 0.000) 6.691 23.448 ( -0.830 -1.306 0.000) 1.547 23.448 ( -0.830 1.306 0.000) 1.547 23.559 ( -4.137 -0.299 0.000) 4.148 23.559 ( -4.137 0.299 0.000) 4.148 24.691 ( 1.121 -2.279 0.000) 2.539 24.691 ( 1.121 2.279 0.000) 2.539 24.954 ( 1.648 -2.709 0.000) 3.170 24.954 ( 1.648 2.709 0.000) 3.170 25.053 ( 1.179 -2.590 0.000) 2.846 25.053 ( 1.179 2.590 0.000) 2.846 25.613 ( 0.757 -1.501 0.000) 1.681 25.613 ( 0.757 1.501 0.000) 1.681 25.704 ( -0.484 -3.214 0.000) 3.250 25.704 ( -0.484 3.214 0.000) 3.250 26.050 ( -5.910 -1.157 0.000) 6.022 26.050 ( -5.910 1.157 0.000) 6.022 26.587 ( 4.655 -3.935 0.000) 6.095 26.587 ( 4.655 3.935 0.000) 6.095 26.960 ( -3.427 -3.608 0.000) 4.976 26.960 ( -3.427 3.608 0.000) 4.976 29.306 ( 2.320 -1.400 0.000) 2.710 29.306 ( 2.320 1.400 0.000) 2.710 29.428 ( -2.469 -1.367 0.000) 2.822 29.428 ( -2.469 1.367 0.000) 2.822 30.530 ( 9.609 -1.990 0.000) 9.813 30.530 ( 9.609 1.990 0.000) 9.813 30.776 ( -0.932 -4.705 0.000) 4.796 30.776 ( -0.932 4.705 0.000) 4.796 35.287 ( -0.808 -0.787 0.000) 1.128 35.287 ( -0.808 0.787 0.000) 1.128 35.339 ( -3.140 -0.428 0.000) 3.169 35.339 ( -3.140 0.428 0.000) 3.169 97.557 ( 2.486 -0.259 0.000) 2.500 97.557 ( 2.486 0.259 0.000) 2.500 97.666 ( -2.908 -0.551 0.000) 2.959 97.666 ( -2.908 0.551 0.000) 2.959 100.188 ( 1.271 -2.636 0.000) 2.926 100.188 ( 1.271 2.636 0.000) 2.926 100.352 ( -4.280 -0.577 0.000) 4.319 100.352 ( -4.280 0.577 0.000) 4.319 ======================= Grid point 32 (18/72) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.531 ( -0.000 0.000 0.000) 0.000 4.531 ( 0.000 0.000 0.000) 0.000 4.734 ( -0.000 0.000 0.000) 0.000 4.734 ( 0.000 0.000 0.000) 0.000 4.901 ( -0.000 -0.000 0.000) 0.000 4.901 ( 0.000 0.000 0.000) 0.000 5.079 ( -0.000 -0.000 0.000) 0.000 5.079 ( 0.000 0.000 0.000) 0.000 5.340 ( -0.000 0.000 0.000) 0.000 5.340 ( 0.000 0.000 0.000) 0.000 5.349 ( -0.000 -0.000 0.000) 0.000 5.349 ( 0.000 -0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 5.892 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.046 ( 0.000 0.000 0.000) 0.000 6.377 ( 0.000 -0.000 0.000) 0.000 6.377 ( 0.000 0.000 0.000) 0.000 6.438 ( -0.000 0.000 0.000) 0.000 6.438 ( 0.000 0.000 0.000) 0.000 6.449 ( 0.000 -0.000 0.000) 0.000 6.449 ( -0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.627 ( 0.000 0.000 0.000) 0.000 6.701 ( 0.000 -0.000 0.000) 0.000 6.701 ( 0.000 0.000 0.000) 0.000 7.187 ( -0.000 -0.000 0.000) 0.000 7.187 ( -0.000 0.000 0.000) 0.000 7.263 ( 0.000 -0.000 0.000) 0.000 7.263 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.313 ( 0.000 0.000 0.000) 0.000 7.429 ( 0.000 -0.000 0.000) 0.000 7.429 ( 0.000 0.000 0.000) 0.000 7.545 ( -0.000 -0.000 0.000) 0.000 7.545 ( 0.000 0.000 0.000) 0.000 7.609 ( 0.000 -0.000 0.000) 0.000 7.609 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.031 ( 0.000 0.000 0.000) 0.000 8.295 ( -0.000 -0.000 0.000) 0.000 8.295 ( 0.000 0.000 0.000) 0.000 8.363 ( 0.000 -0.000 0.000) 0.000 8.363 ( 0.000 0.000 0.000) 0.000 8.402 ( -0.000 0.000 0.000) 0.000 8.402 ( 0.000 0.000 0.000) 0.000 8.423 ( -0.000 -0.000 0.000) 0.000 8.423 ( 0.000 0.000 0.000) 0.000 8.650 ( 0.000 0.000 0.000) 0.000 8.650 ( -0.000 0.000 0.000) 0.000 8.928 ( 0.000 -0.000 0.000) 0.000 8.928 ( -0.000 0.000 0.000) 0.000 9.063 ( -0.000 0.000 0.000) 0.000 9.063 ( 0.000 0.000 0.000) 0.000 9.466 ( -0.000 0.000 0.000) 0.000 9.466 ( 0.000 0.000 0.000) 0.000 9.504 ( -0.000 -0.000 0.000) 0.000 9.504 ( -0.000 0.000 0.000) 0.000 9.538 ( -0.000 -0.000 0.000) 0.000 9.538 ( 0.000 -0.000 0.000) 0.000 9.608 ( -0.000 0.000 0.000) 0.000 9.608 ( 0.000 0.000 0.000) 0.000 9.956 ( 0.000 -0.000 0.000) 0.000 9.956 ( -0.000 0.000 0.000) 0.000 9.983 ( 0.000 -0.000 0.000) 0.000 9.983 ( 0.000 0.000 0.000) 0.000 9.993 ( -0.000 -0.000 0.000) 0.000 9.993 ( 0.000 0.000 0.000) 0.000 10.169 ( 0.000 -0.000 0.000) 0.000 10.169 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.308 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.394 ( 0.000 0.000 0.000) 0.000 10.884 ( 0.000 -0.000 0.000) 0.000 10.884 ( -0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 10.894 ( 0.000 0.000 0.000) 0.000 10.946 ( -0.000 -0.000 0.000) 0.000 10.946 ( 0.000 0.000 0.000) 0.000 10.960 ( 0.000 -0.000 0.000) 0.000 10.960 ( 0.000 0.000 0.000) 0.000 11.218 ( -0.000 -0.000 0.000) 0.000 11.218 ( 0.000 0.000 0.000) 0.000 11.352 ( -0.000 0.000 0.000) 0.000 11.352 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.377 ( 0.000 0.000 0.000) 0.000 11.491 ( -0.000 0.000 0.000) 0.000 11.491 ( 0.000 0.000 0.000) 0.000 11.998 ( -0.000 -0.000 0.000) 0.000 11.998 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.132 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.169 ( 0.000 0.000 0.000) 0.000 12.552 ( 0.000 -0.000 0.000) 0.000 12.552 ( 0.000 0.000 0.000) 0.000 12.568 ( -0.000 -0.000 0.000) 0.000 12.568 ( -0.000 0.000 0.000) 0.000 12.931 ( -0.001 -0.000 0.000) 0.001 12.931 ( -0.000 0.000 0.000) 0.000 12.931 ( -0.000 -0.000 0.000) 0.000 12.931 ( 0.001 0.001 0.000) 0.001 13.033 ( 0.000 -0.000 0.000) 0.000 13.033 ( 0.000 -0.000 0.000) 0.000 13.272 ( -0.000 -0.000 0.000) 0.000 13.272 ( 0.000 0.000 0.000) 0.000 13.282 ( 0.000 -0.000 0.000) 0.000 13.282 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.802 ( -0.000 -0.000 0.000) 0.000 13.802 ( 0.000 0.000 0.000) 0.000 13.834 ( -0.000 -0.000 0.000) 0.000 13.834 ( 0.000 0.000 0.000) 0.000 14.031 ( 0.000 -0.000 0.000) 0.000 14.031 ( 0.000 0.000 0.000) 0.000 14.142 ( 0.000 -0.000 0.000) 0.000 14.142 ( 0.000 0.000 0.000) 0.000 14.258 ( 0.000 -0.000 0.000) 0.000 14.258 ( 0.000 0.000 0.000) 0.000 14.359 ( 0.000 -0.000 0.000) 0.000 14.359 ( 0.000 0.000 0.000) 0.000 14.654 ( 0.000 -0.000 0.000) 0.000 14.654 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 14.969 ( 0.000 0.000 0.000) 0.000 15.079 ( 0.000 -0.000 0.000) 0.000 15.079 ( 0.000 0.000 0.000) 0.000 15.494 ( -0.000 0.000 0.000) 0.000 15.494 ( 0.000 0.000 0.000) 0.000 15.625 ( 0.000 -0.000 0.000) 0.000 15.625 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 15.904 ( 0.000 0.000 0.000) 0.000 15.982 ( 0.000 0.000 0.000) 0.000 15.982 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.454 ( 0.000 0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000 16.622 ( 0.000 0.000 0.000) 0.000 16.912 ( -0.000 -0.000 0.000) 0.000 16.912 ( 0.000 0.000 0.000) 0.000 16.928 ( 0.000 -0.000 0.000) 0.000 16.928 ( 0.000 0.000 0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.155 ( 0.000 0.000 0.000) 0.000 17.522 ( 0.000 -0.000 0.000) 0.000 17.522 ( 0.000 0.000 0.000) 0.000 17.592 ( 0.000 0.000 0.000) 0.000 17.592 ( 0.000 0.000 0.000) 0.000 17.658 ( 0.000 0.000 0.000) 0.000 17.658 ( 0.000 0.000 0.000) 0.000 17.658 ( 0.000 0.000 0.000) 0.000 17.658 ( 0.000 0.000 0.000) 0.000 17.819 ( 0.000 0.000 0.000) 0.000 17.819 ( 0.000 0.000 0.000) 0.000 18.548 ( 0.000 0.000 0.000) 0.000 18.548 ( 0.000 0.000 0.000) 0.000 19.255 ( 0.000 -0.000 0.000) 0.000 19.255 ( 0.000 0.000 0.000) 0.000 19.882 ( 0.000 0.000 0.000) 0.000 19.882 ( 0.000 0.000 0.000) 0.000 20.019 ( 0.000 0.000 0.000) 0.000 20.019 ( 0.000 0.000 0.000) 0.000 21.115 ( 0.000 0.000 0.000) 0.000 21.115 ( 0.000 0.000 0.000) 0.000 23.442 ( 0.000 0.000 0.000) 0.000 23.442 ( 0.000 0.000 0.000) 0.000 23.515 ( -0.000 0.000 0.000) 0.000 23.515 ( 0.000 0.000 0.000) 0.000 24.701 ( 0.000 -0.000 0.000) 0.000 24.701 ( 0.000 0.000 0.000) 0.000 24.973 ( 0.000 0.000 0.000) 0.000 24.973 ( 0.000 0.000 0.000) 0.000 25.064 ( 0.000 -0.000 0.000) 0.000 25.064 ( 0.000 0.000 0.000) 0.000 25.622 ( 0.000 0.000 0.000) 0.000 25.622 ( 0.000 0.000 0.000) 0.000 25.697 ( 0.000 -0.000 0.000) 0.000 25.697 ( 0.000 0.000 0.000) 0.000 25.987 ( 0.000 0.000 0.000) 0.000 25.987 ( 0.000 0.000 0.000) 0.000 26.635 ( -0.000 -0.000 0.000) 0.000 26.635 ( 0.000 0.000 0.000) 0.000 26.924 ( 0.000 0.000 0.000) 0.000 26.924 ( 0.000 0.000 0.000) 0.000 29.337 ( -0.000 0.000 0.000) 0.000 29.337 ( 0.000 0.000 0.000) 0.000 29.396 ( 0.000 -0.000 0.000) 0.000 29.396 ( 0.000 0.000 0.000) 0.000 30.656 ( -0.000 0.000 0.000) 0.000 30.656 ( 0.000 0.000 0.000) 0.000 30.737 ( -0.000 -0.000 0.000) 0.000 30.737 ( 0.000 0.000 0.000) 0.000 35.292 ( -0.000 0.000 0.000) 0.000 35.292 ( 0.000 0.000 0.000) 0.000 35.295 ( -0.000 -0.000 0.000) 0.000 35.295 ( 0.000 -0.000 0.000) 0.000 97.604 ( -0.000 0.000 0.000) 0.000 97.604 ( 0.000 0.000 0.000) 0.000 97.615 ( -0.000 -0.000 0.000) 0.000 97.615 ( 0.000 0.000 0.000) 0.000 100.211 ( -0.000 -0.000 0.000) 0.000 100.211 ( 0.000 0.000 0.000) 0.000 100.300 ( 0.000 0.000 0.000) 0.000 100.300 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 55 (19/72) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.971 ( 0.000 0.000 50.821) 50.821 0.985 ( 0.000 0.000 51.784) 51.784 1.682 ( 0.000 0.000 87.127) 87.127 3.523 ( 0.000 0.000 14.210) 14.210 3.637 ( 0.000 0.000 29.110) 29.110 3.668 ( 0.000 0.000 11.405) 11.405 3.780 ( 0.000 0.000 11.907) 11.907 4.668 ( 0.000 0.000 -43.003) 43.003 4.785 ( 0.000 0.000 -12.731) 12.731 4.793 ( 0.000 0.000 -33.697) 33.697 5.494 ( 0.000 0.000 -29.779) 29.779 5.644 ( 0.000 0.000 0.890) 0.890 5.811 ( 0.000 0.000 1.777) 1.777 5.986 ( 0.000 0.000 -15.998) 15.998 6.070 ( 0.000 0.000 -2.484) 2.484 6.078 ( 0.000 0.000 17.409) 17.409 6.113 ( 0.000 0.000 8.210) 8.210 6.236 ( 0.000 0.000 9.252) 9.252 6.299 ( 0.000 0.000 -3.514) 3.514 6.507 ( 0.000 0.000 -4.679) 4.679 6.621 ( 0.000 0.000 9.993) 9.993 6.694 ( 0.000 0.000 4.238) 4.238 6.752 ( 0.000 0.000 13.224) 13.224 6.810 ( 0.000 0.000 1.207) 1.207 6.859 ( 0.000 0.000 4.143) 4.143 6.999 ( 0.000 0.000 6.646) 6.646 7.039 ( 0.000 0.000 8.234) 8.234 7.061 ( 0.000 0.000 4.019) 4.019 7.218 ( 0.000 0.000 2.150) 2.150 7.224 ( 0.000 0.000 5.652) 5.652 7.484 ( 0.000 0.000 10.601) 10.601 7.487 ( 0.000 0.000 4.943) 4.943 7.545 ( 0.000 0.000 4.115) 4.115 7.653 ( 0.000 0.000 8.152) 8.152 7.682 ( 0.000 0.000 -7.732) 7.732 7.781 ( 0.000 0.000 8.316) 8.316 7.828 ( 0.000 0.000 -18.666) 18.666 7.879 ( 0.000 0.000 6.479) 6.479 7.902 ( 0.000 0.000 -0.082) 0.082 7.989 ( 0.000 0.000 3.427) 3.427 8.058 ( 0.000 0.000 -6.968) 6.968 8.263 ( 0.000 0.000 2.173) 2.173 8.299 ( 0.000 0.000 7.000) 7.000 8.327 ( 0.000 0.000 7.100) 7.100 8.371 ( 0.000 0.000 -5.050) 5.050 8.385 ( 0.000 0.000 -2.627) 2.627 8.435 ( 0.000 0.000 -4.866) 4.866 8.551 ( 0.000 0.000 4.689) 4.689 8.587 ( 0.000 0.000 -5.719) 5.719 8.713 ( 0.000 0.000 6.797) 6.797 8.825 ( 0.000 0.000 -12.868) 12.868 8.858 ( 0.000 0.000 -4.822) 4.822 8.977 ( 0.000 0.000 -13.426) 13.426 9.243 ( 0.000 0.000 0.067) 0.067 9.288 ( 0.000 0.000 -8.651) 8.651 9.307 ( 0.000 0.000 -21.581) 21.581 9.379 ( 0.000 0.000 -10.076) 10.076 9.393 ( 0.000 0.000 -7.651) 7.651 9.498 ( 0.000 0.000 1.775) 1.775 9.701 ( 0.000 0.000 1.605) 1.605 9.850 ( 0.000 0.000 7.022) 7.022 9.919 ( 0.000 0.000 -8.093) 8.093 9.953 ( 0.000 0.000 -8.636) 8.636 10.117 ( 0.000 0.000 0.346) 0.346 10.138 ( 0.000 0.000 -11.987) 11.987 10.146 ( 0.000 0.000 5.964) 5.964 10.162 ( 0.000 0.000 -1.219) 1.219 10.282 ( 0.000 0.000 -17.384) 17.384 10.315 ( 0.000 0.000 2.789) 2.789 10.333 ( 0.000 0.000 4.600) 4.600 10.364 ( 0.000 0.000 -1.951) 1.951 10.382 ( 0.000 0.000 0.219) 0.219 10.450 ( 0.000 0.000 9.953) 9.953 10.520 ( 0.000 0.000 8.826) 8.826 10.576 ( 0.000 0.000 -8.757) 8.757 10.671 ( 0.000 0.000 0.145) 0.145 10.713 ( 0.000 0.000 -0.669) 0.669 10.749 ( 0.000 0.000 1.205) 1.205 10.839 ( 0.000 0.000 5.995) 5.995 10.848 ( 0.000 0.000 5.854) 5.854 10.857 ( 0.000 0.000 -0.427) 0.427 10.880 ( 0.000 0.000 5.657) 5.657 11.020 ( 0.000 0.000 7.337) 7.337 11.052 ( 0.000 0.000 -4.313) 4.313 11.150 ( 0.000 0.000 1.955) 1.955 11.242 ( 0.000 0.000 -3.047) 3.047 11.403 ( 0.000 0.000 -2.883) 2.883 11.436 ( 0.000 0.000 -14.755) 14.755 11.485 ( 0.000 0.000 2.891) 2.891 11.602 ( 0.000 0.000 3.485) 3.485 11.693 ( 0.000 0.000 -0.160) 0.160 11.700 ( 0.000 0.000 -15.960) 15.960 11.822 ( 0.000 0.000 -7.235) 7.235 11.846 ( 0.000 0.000 9.689) 9.689 12.097 ( 0.000 0.000 10.420) 10.420 12.217 ( 0.000 0.000 1.909) 1.909 12.272 ( 0.000 0.000 5.490) 5.490 12.272 ( 0.000 0.000 -15.666) 15.666 12.356 ( 0.000 0.000 1.890) 1.890 12.438 ( 0.000 0.000 3.075) 3.075 12.632 ( 0.000 0.000 4.108) 4.108 12.663 ( 0.000 0.000 1.664) 1.664 12.664 ( 0.000 0.000 8.615) 8.615 12.707 ( 0.000 0.000 0.598) 0.598 12.789 ( 0.000 0.000 -0.407) 0.407 12.818 ( 0.000 0.000 6.474) 6.474 12.997 ( 0.000 0.000 0.520) 0.520 13.045 ( 0.000 0.000 -7.521) 7.521 13.144 ( 0.000 0.000 0.211) 0.211 13.224 ( 0.000 0.000 2.279) 2.279 13.363 ( 0.000 0.000 9.122) 9.122 13.413 ( 0.000 0.000 -2.688) 2.688 13.467 ( 0.000 0.000 -0.106) 0.106 13.628 ( 0.000 0.000 0.358) 0.358 13.653 ( 0.000 0.000 8.691) 8.691 13.662 ( 0.000 0.000 1.505) 1.505 13.815 ( 0.000 0.000 4.970) 4.970 13.947 ( 0.000 0.000 -3.168) 3.168 13.976 ( 0.000 0.000 -1.550) 1.550 14.126 ( 0.000 0.000 -11.263) 11.263 14.148 ( 0.000 0.000 -13.744) 13.744 14.271 ( 0.000 0.000 4.116) 4.116 14.579 ( 0.000 0.000 -12.448) 12.448 14.664 ( 0.000 0.000 -7.672) 7.672 14.676 ( 0.000 0.000 -0.976) 0.976 14.730 ( 0.000 0.000 -2.083) 2.083 14.732 ( 0.000 0.000 9.410) 9.410 14.800 ( 0.000 0.000 3.529) 3.529 14.926 ( 0.000 0.000 -0.222) 0.222 15.001 ( 0.000 0.000 -1.633) 1.633 15.181 ( 0.000 0.000 3.181) 3.181 15.290 ( 0.000 0.000 -4.516) 4.516 15.311 ( 0.000 0.000 -0.569) 0.569 15.400 ( 0.000 0.000 -11.455) 11.455 15.645 ( 0.000 0.000 5.119) 5.119 15.729 ( 0.000 0.000 5.020) 5.020 15.742 ( 0.000 0.000 8.880) 8.880 15.850 ( 0.000 0.000 3.829) 3.829 15.964 ( 0.000 0.000 -1.908) 1.908 16.095 ( 0.000 0.000 -0.309) 0.309 16.099 ( 0.000 0.000 0.245) 0.245 16.390 ( 0.000 0.000 5.218) 5.218 16.680 ( 0.000 0.000 -6.533) 6.533 16.688 ( 0.000 0.000 18.488) 18.488 16.865 ( 0.000 0.000 -0.639) 0.639 16.986 ( 0.000 0.000 -2.644) 2.644 17.002 ( 0.000 0.000 5.618) 5.618 17.148 ( 0.000 0.000 -1.455) 1.455 17.167 ( 0.000 0.000 -5.110) 5.110 17.176 ( 0.000 0.000 -4.397) 4.397 17.203 ( 0.000 0.000 1.118) 1.118 17.207 ( 0.000 0.000 -0.042) 0.042 17.285 ( 0.000 0.000 7.651) 7.651 17.464 ( 0.000 0.000 7.157) 7.157 17.567 ( 0.000 0.000 0.663) 0.663 17.586 ( 0.000 0.000 6.713) 6.713 17.681 ( 0.000 0.000 -0.479) 0.479 17.789 ( 0.000 0.000 2.769) 2.769 17.875 ( 0.000 0.000 5.918) 5.918 17.972 ( 0.000 0.000 -17.109) 17.109 18.032 ( 0.000 0.000 3.054) 3.054 18.470 ( 0.000 0.000 -2.127) 2.127 18.579 ( 0.000 0.000 -5.099) 5.099 18.584 ( 0.000 0.000 -3.667) 3.667 19.797 ( 0.000 0.000 2.727) 2.727 19.894 ( 0.000 0.000 1.639) 1.639 20.135 ( 0.000 0.000 34.245) 34.245 20.455 ( 0.000 0.000 -4.420) 4.420 21.242 ( 0.000 0.000 -20.084) 20.084 22.267 ( 0.000 0.000 -10.209) 10.209 23.729 ( 0.000 0.000 0.290) 0.290 23.851 ( 0.000 0.000 -3.615) 3.615 23.900 ( 0.000 0.000 0.289) 0.289 23.903 ( 0.000 0.000 0.278) 0.278 24.578 ( 0.000 0.000 2.379) 2.379 24.615 ( 0.000 0.000 2.717) 2.717 24.723 ( 0.000 0.000 0.705) 0.705 24.729 ( 0.000 0.000 -0.591) 0.591 24.838 ( 0.000 0.000 -0.937) 0.937 24.937 ( 0.000 0.000 -1.978) 1.978 24.950 ( 0.000 0.000 0.476) 0.476 24.995 ( 0.000 0.000 -0.361) 0.361 25.469 ( 0.000 0.000 0.508) 0.508 25.679 ( 0.000 0.000 -2.843) 2.843 26.274 ( 0.000 0.000 1.873) 1.873 26.346 ( 0.000 0.000 1.590) 1.590 26.406 ( 0.000 0.000 2.208) 2.208 26.589 ( 0.000 0.000 -0.026) 0.026 27.390 ( 0.000 0.000 -2.740) 2.740 27.430 ( 0.000 0.000 -2.065) 2.065 29.162 ( 0.000 0.000 4.828) 4.828 29.420 ( 0.000 0.000 -1.353) 1.353 29.731 ( 0.000 0.000 3.786) 3.786 29.849 ( 0.000 0.000 3.485) 3.485 29.975 ( 0.000 0.000 0.897) 0.897 30.060 ( 0.000 0.000 -3.511) 3.511 30.160 ( 0.000 0.000 -2.490) 2.490 30.168 ( 0.000 0.000 -0.498) 0.498 35.348 ( 0.000 0.000 1.270) 1.270 35.525 ( 0.000 0.000 -0.674) 0.674 35.553 ( 0.000 0.000 -1.961) 1.961 35.558 ( 0.000 0.000 -1.657) 1.657 97.500 ( 0.000 0.000 3.923) 3.923 97.741 ( 0.000 0.000 0.670) 0.670 97.798 ( 0.000 0.000 -1.372) 1.372 97.817 ( 0.000 0.000 -0.466) 0.466 100.008 ( 0.000 0.000 1.970) 1.970 100.326 ( 0.000 0.000 -3.308) 3.308 100.488 ( 0.000 0.000 -0.135) 0.135 100.684 ( 0.000 0.000 -4.277) 4.277 ======================= Grid point 56 (20/72) ======================= q-point: ( 0.10 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.363 ( 34.411 0.000 35.829) 49.677 1.439 ( 39.053 0.000 34.599) 52.175 2.396 ( 60.877 0.000 59.937) 85.431 3.708 ( 16.111 0.000 17.570) 23.839 3.810 ( 15.197 0.000 7.705) 17.039 3.866 ( 23.435 0.000 19.569) 30.531 3.888 ( 9.443 0.000 13.436) 16.422 4.765 ( 9.251 0.000 -42.787) 43.776 4.772 ( -0.987 0.000 -27.625) 27.643 4.810 ( 2.350 0.000 -14.803) 14.989 5.479 ( -1.476 0.000 -25.528) 25.571 5.739 ( 4.946 0.000 -4.317) 6.566 5.893 ( 11.405 0.000 4.800) 12.374 5.944 ( -1.904 0.000 -12.399) 12.545 6.005 ( -7.648 0.000 21.316) 22.646 6.062 ( -2.083 0.000 -8.200) 8.460 6.183 ( 6.172 0.000 14.930) 16.155 6.227 ( -5.539 0.000 1.589) 5.762 6.370 ( 13.463 0.000 9.162) 16.285 6.468 ( -10.449 0.000 -2.609) 10.770 6.582 ( -2.882 0.000 1.983) 3.498 6.586 ( -2.677 0.000 5.920) 6.497 6.721 ( -3.657 0.000 8.064) 8.855 6.775 ( 0.567 0.000 4.660) 4.695 6.942 ( -3.263 0.000 13.394) 13.786 6.967 ( 6.975 0.000 8.385) 10.906 7.015 ( -0.732 0.000 8.096) 8.129 7.131 ( 1.960 0.000 4.695) 5.088 7.170 ( -4.757 0.000 1.557) 5.005 7.341 ( 3.512 0.000 -6.731) 7.592 7.424 ( -9.260 0.000 15.048) 17.668 7.501 ( 5.366 0.000 -0.903) 5.442 7.506 ( -12.698 0.000 3.768) 13.246 7.602 ( 4.683 0.000 4.976) 6.833 7.638 ( 0.798 0.000 3.797) 3.879 7.665 ( -6.559 0.000 -8.665) 10.868 7.875 ( 0.665 0.000 8.625) 8.650 7.885 ( -6.187 0.000 10.712) 12.370 7.974 ( -4.214 0.000 -9.866) 10.728 8.001 ( 10.487 0.000 -13.358) 16.983 8.083 ( -1.209 0.000 -8.538) 8.623 8.197 ( -4.729 0.000 3.295) 5.764 8.254 ( 1.926 0.000 8.860) 9.067 8.354 ( 1.454 0.000 -5.879) 6.056 8.364 ( -3.698 0.000 -7.465) 8.331 8.428 ( -2.162 0.000 -4.616) 5.097 8.495 ( 3.608 0.000 -2.039) 4.144 8.527 ( 5.591 0.000 -6.465) 8.547 8.545 ( -12.394 0.000 -0.360) 12.399 8.701 ( 6.093 0.000 4.040) 7.311 8.855 ( 2.510 0.000 2.232) 3.359 8.949 ( 10.771 0.000 -8.347) 13.627 9.082 ( -7.790 0.000 -3.637) 8.597 9.120 ( 1.717 0.000 -14.028) 14.133 9.205 ( -1.919 0.000 -1.866) 2.676 9.252 ( -4.596 0.000 -12.474) 13.294 9.385 ( -0.270 0.000 -8.182) 8.186 9.504 ( 7.527 0.000 -5.797) 9.501 9.617 ( 9.041 0.000 -2.925) 9.502 9.734 ( 1.190 0.000 0.482) 1.283 9.833 ( -11.388 0.000 -6.313) 13.021 9.835 ( -1.535 0.000 4.882) 5.118 9.924 ( -10.661 0.000 0.156) 10.662 10.009 ( 1.234 0.000 -7.193) 7.298 10.018 ( -7.070 0.000 -9.173) 11.581 10.048 ( -14.968 0.000 -7.633) 16.802 10.159 ( -11.041 0.000 2.804) 11.391 10.187 ( 2.550 0.000 -2.125) 3.320 10.213 ( 3.791 0.000 -1.045) 3.932 10.319 ( -1.065 0.000 -2.232) 2.474 10.320 ( -0.842 0.000 6.597) 6.650 10.355 ( -5.342 0.000 -0.786) 5.399 10.517 ( 0.185 0.000 -2.318) 2.325 10.537 ( -11.442 0.000 -5.077) 12.518 10.577 ( -1.191 0.000 -2.981) 3.210 10.592 ( 4.352 0.000 -0.831) 4.431 10.650 ( -8.866 0.000 1.641) 9.017 10.719 ( -3.654 0.000 0.766) 3.734 10.738 ( -4.304 0.000 2.966) 5.227 10.848 ( 1.234 0.000 8.387) 8.477 10.904 ( 2.958 0.000 3.282) 4.418 10.948 ( 5.976 0.000 -0.388) 5.989 10.973 ( 0.101 0.000 -1.802) 1.805 11.038 ( -12.065 0.000 -1.756) 12.192 11.110 ( 2.920 0.000 2.233) 3.676 11.231 ( -0.236 0.000 -0.491) 0.545 11.333 ( -6.624 0.000 -1.269) 6.744 11.455 ( 0.189 0.000 1.761) 1.771 11.573 ( -5.867 0.000 5.016) 7.719 11.607 ( 8.361 0.000 0.453) 8.373 11.677 ( 7.960 0.000 6.044) 9.994 11.704 ( -3.457 0.000 -22.779) 23.040 11.929 ( 5.926 0.000 4.546) 7.469 11.937 ( -15.082 0.000 15.137) 21.368 12.145 ( 14.378 0.000 -3.816) 14.876 12.184 ( 4.065 0.000 1.849) 4.466 12.260 ( 0.447 0.000 -12.901) 12.909 12.282 ( 8.897 0.000 7.635) 11.724 12.387 ( 2.127 0.000 1.842) 2.814 12.463 ( 5.307 0.000 -1.226) 5.447 12.615 ( 1.410 0.000 1.565) 2.107 12.637 ( 0.886 0.000 1.183) 1.478 12.743 ( 1.756 0.000 2.664) 3.191 12.757 ( 2.126 0.000 5.523) 5.918 12.783 ( 2.029 0.000 -0.742) 2.160 12.809 ( -4.705 0.000 10.870) 11.845 12.953 ( -2.175 0.000 -0.642) 2.268 13.019 ( -2.579 0.000 4.743) 5.399 13.113 ( -7.235 0.000 7.081) 10.124 13.133 ( 2.240 0.000 -8.566) 8.855 13.170 ( 0.803 0.000 6.860) 6.907 13.425 ( -3.403 0.000 -0.423) 3.430 13.586 ( -5.356 0.000 7.455) 9.179 13.640 ( -1.064 0.000 2.167) 2.414 13.704 ( 5.651 0.000 0.183) 5.654 13.717 ( 11.910 0.000 -3.245) 12.344 13.835 ( 1.951 0.000 4.558) 4.958 13.868 ( -4.234 0.000 -4.150) 5.928 14.016 ( 0.830 0.000 -2.378) 2.518 14.135 ( 1.087 0.000 -7.642) 7.719 14.161 ( -4.094 0.000 -2.525) 4.810 14.195 ( -0.531 0.000 -8.560) 8.577 14.397 ( -9.293 0.000 8.886) 12.857 14.527 ( -20.295 0.000 -0.873) 20.313 14.657 ( -3.691 0.000 -4.004) 5.445 14.696 ( -1.086 0.000 -1.091) 1.540 14.735 ( -0.001 0.000 -6.239) 6.239 14.772 ( 2.653 0.000 0.777) 2.765 14.953 ( -5.254 0.000 1.992) 5.619 15.057 ( -7.188 0.000 2.347) 7.562 15.260 ( -4.175 0.000 2.705) 4.975 15.268 ( -6.467 0.000 -10.949) 12.717 15.406 ( 5.992 0.000 -8.181) 10.141 15.497 ( 18.968 0.000 -4.156) 19.418 15.745 ( 4.770 0.000 3.266) 5.781 15.771 ( 3.623 0.000 5.251) 6.380 15.794 ( 3.858 0.000 1.792) 4.254 15.884 ( -7.020 0.000 1.156) 7.115 15.965 ( 2.033 0.000 -9.159) 9.382 16.105 ( 2.615 0.000 -2.295) 3.479 16.234 ( 16.553 0.000 -12.644) 20.830 16.353 ( -3.035 0.000 5.022) 5.868 16.584 ( -4.933 0.000 -2.622) 5.586 16.751 ( -12.768 0.000 -2.484) 13.007 16.782 ( 7.251 0.000 9.155) 11.679 16.869 ( -5.349 0.000 3.375) 6.325 17.038 ( -5.724 0.000 0.739) 5.772 17.070 ( 8.283 0.000 -5.430) 9.904 17.172 ( -2.826 0.000 0.214) 2.834 17.227 ( 2.586 0.000 -2.396) 3.526 17.270 ( 3.288 0.000 3.215) 4.599 17.340 ( 7.976 0.000 3.494) 8.708 17.378 ( 8.481 0.000 0.312) 8.487 17.468 ( 0.653 0.000 7.041) 7.071 17.473 ( -3.966 0.000 6.190) 7.352 17.632 ( -0.990 0.000 7.729) 7.792 17.676 ( 4.232 0.000 3.629) 5.575 17.793 ( 0.019 0.000 0.308) 0.309 17.861 ( -1.526 0.000 2.692) 3.094 17.967 ( -0.742 0.000 -11.550) 11.574 18.049 ( 2.456 0.000 0.864) 2.604 18.486 ( -3.204 0.000 -4.463) 5.494 18.840 ( 18.388 0.000 -4.951) 19.043 18.871 ( 28.286 0.000 -18.923) 34.032 19.800 ( 0.243 0.000 2.552) 2.564 19.902 ( 0.752 0.000 1.305) 1.506 20.105 ( -2.546 0.000 28.982) 29.094 20.430 ( -2.021 0.000 -4.056) 4.532 20.969 ( -33.215 0.000 10.891) 34.955 21.422 ( -25.534 0.000 8.941) 27.054 23.675 ( -4.586 0.000 0.284) 4.595 23.748 ( -9.259 0.000 -2.311) 9.543 23.882 ( -2.651 0.000 0.225) 2.661 23.905 ( -3.515 0.000 -1.045) 3.667 24.601 ( 1.413 0.000 2.255) 2.661 24.605 ( 0.715 0.000 3.331) 3.407 24.813 ( 4.718 0.000 -1.479) 4.944 24.869 ( 3.509 0.000 0.407) 3.533 24.926 ( -0.868 0.000 -1.851) 2.044 24.984 ( 4.350 0.000 -1.910) 4.751 25.069 ( 9.227 0.000 0.042) 9.228 25.475 ( 3.964 0.000 -2.446) 4.657 25.500 ( 31.175 0.000 -25.897) 40.528 25.678 ( -0.143 0.000 -2.591) 2.595 26.262 ( -1.087 0.000 1.094) 1.542 26.277 ( -4.236 0.000 0.808) 4.313 26.473 ( 3.659 0.000 2.663) 4.525 26.556 ( -3.314 0.000 1.242) 3.539 27.223 ( -14.459 0.000 7.103) 16.109 27.359 ( -3.188 0.000 -3.379) 4.645 29.170 ( 0.883 0.000 4.338) 4.427 29.417 ( -0.305 0.000 -1.343) 1.377 29.558 ( -14.923 0.000 15.545) 21.549 29.697 ( -3.291 0.000 2.816) 4.332 29.917 ( 6.800 0.000 3.598) 7.693 30.022 ( 4.735 0.000 1.321) 4.916 30.236 ( 7.974 0.000 -2.067) 8.238 30.635 ( 13.450 0.000 -18.537) 22.902 35.336 ( -1.113 0.000 1.187) 1.627 35.505 ( -1.886 0.000 -0.778) 2.040 35.523 ( -3.333 0.000 -1.367) 3.602 35.542 ( -1.716 0.000 -2.492) 3.025 97.503 ( 0.282 0.000 3.648) 3.659 97.596 ( -6.533 0.000 8.347) 10.600 97.784 ( -1.354 0.000 -1.238) 1.835 97.806 ( -1.095 0.000 -0.649) 1.272 100.016 ( 0.812 0.000 1.929) 2.093 100.375 ( 0.499 0.000 -6.263) 6.283 100.499 ( 0.696 0.000 -1.635) 1.777 100.627 ( -5.344 0.000 -3.465) 6.369 ======================= Grid point 57 (21/72) ======================= q-point: ( 0.20 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.148 ( 43.770 0.000 21.969) 48.974 2.293 ( 45.689 0.000 23.834) 51.532 3.697 ( 64.514 0.000 29.193) 70.812 4.099 ( 22.663 0.000 15.955) 27.716 4.133 ( 16.101 0.000 14.810) 21.877 4.230 ( 28.201 0.000 5.423) 28.717 4.417 ( 27.635 0.000 1.524) 27.677 4.814 ( 6.183 0.000 -7.416) 9.655 4.874 ( 5.316 0.000 -12.827) 13.885 5.026 ( 17.455 0.000 -37.726) 41.569 5.452 ( -0.408 0.000 -17.221) 17.226 5.773 ( -0.382 0.000 -9.503) 9.511 5.828 ( -8.346 0.000 19.685) 21.381 5.939 ( 3.197 0.000 0.856) 3.310 5.988 ( -5.571 0.000 -3.501) 6.580 6.096 ( -8.014 0.000 8.513) 11.692 6.215 ( -12.857 0.000 4.540) 13.635 6.238 ( 13.350 0.000 7.240) 15.186 6.342 ( 14.097 0.000 5.146) 15.007 6.519 ( -3.037 0.000 2.172) 3.734 6.536 ( -2.723 0.000 1.230) 2.988 6.631 ( -6.805 0.000 6.081) 9.126 6.716 ( 15.230 0.000 9.134) 17.759 6.778 ( -0.765 0.000 5.011) 5.070 6.888 ( -3.412 0.000 -1.463) 3.712 7.025 ( -8.441 0.000 3.720) 9.224 7.059 ( -1.091 0.000 6.476) 6.567 7.088 ( 8.401 0.000 7.103) 11.001 7.123 ( -8.743 0.000 12.916) 15.597 7.155 ( 3.447 0.000 10.913) 11.444 7.322 ( -10.208 0.000 5.352) 11.526 7.383 ( 3.764 0.000 -2.222) 4.371 7.553 ( -4.850 0.000 -5.555) 7.374 7.570 ( -0.247 0.000 -5.473) 5.479 7.614 ( -1.995 0.000 -4.896) 5.287 7.709 ( 2.726 0.000 1.553) 3.137 7.732 ( -8.489 0.000 4.877) 9.790 7.832 ( -10.314 0.000 -6.606) 12.249 7.916 ( -9.853 0.000 -5.483) 11.276 7.962 ( 5.172 0.000 10.890) 12.056 8.012 ( -3.560 0.000 4.083) 5.418 8.136 ( -6.530 0.000 7.607) 10.026 8.169 ( -15.358 0.000 -1.267) 15.410 8.297 ( -8.726 0.000 0.062) 8.726 8.390 ( 2.047 0.000 3.057) 3.679 8.419 ( -2.811 0.000 -13.613) 13.901 8.435 ( 12.662 0.000 -23.565) 26.752 8.561 ( 0.561 0.000 -6.394) 6.418 8.702 ( 9.649 0.000 -9.768) 13.731 8.761 ( -10.056 0.000 0.103) 10.057 8.792 ( 5.682 0.000 8.545) 10.261 8.941 ( -5.482 0.000 4.735) 7.244 9.074 ( -4.383 0.000 -13.421) 14.118 9.114 ( 0.256 0.000 -8.546) 8.550 9.263 ( 9.946 0.000 3.148) 10.432 9.311 ( 6.571 0.000 0.466) 6.587 9.395 ( 1.870 0.000 -10.438) 10.604 9.441 ( -18.883 0.000 -8.955) 20.899 9.556 ( -3.923 0.000 -2.260) 4.528 9.612 ( -16.851 0.000 -0.410) 16.856 9.695 ( -8.201 0.000 -1.467) 8.331 9.767 ( -0.530 0.000 0.004) 0.530 9.827 ( -6.207 0.000 -1.784) 6.458 9.865 ( 4.856 0.000 0.039) 4.856 9.925 ( -7.425 0.000 -0.472) 7.440 10.001 ( 3.101 0.000 -17.475) 17.748 10.070 ( 1.345 0.000 -3.551) 3.797 10.155 ( -11.285 0.000 -9.990) 15.071 10.202 ( -4.728 0.000 -2.523) 5.359 10.284 ( 0.346 0.000 -3.687) 3.703 10.312 ( 0.371 0.000 2.206) 2.237 10.338 ( -0.111 0.000 11.187) 11.187 10.382 ( -3.615 0.000 -2.765) 4.551 10.435 ( -8.945 0.000 -1.757) 9.116 10.465 ( -8.452 0.000 -5.544) 10.108 10.499 ( -3.448 0.000 -5.250) 6.281 10.611 ( -0.649 0.000 0.480) 0.807 10.613 ( -0.481 0.000 -0.616) 0.782 10.777 ( 1.248 0.000 -0.898) 1.538 10.813 ( -7.879 0.000 -1.575) 8.035 10.873 ( 2.846 0.000 -1.796) 3.365 10.950 ( 2.669 0.000 1.405) 3.016 10.991 ( -2.918 0.000 -1.734) 3.394 11.074 ( 6.511 0.000 -3.530) 7.407 11.156 ( 2.018 0.000 0.946) 2.228 11.185 ( -4.194 0.000 2.942) 5.123 11.253 ( -0.938 0.000 10.952) 10.992 11.396 ( -5.576 0.000 1.444) 5.760 11.453 ( -12.296 0.000 3.534) 12.794 11.528 ( 0.287 0.000 11.807) 11.810 11.650 ( 1.091 0.000 12.021) 12.071 11.882 ( 0.160 0.000 -2.740) 2.745 11.910 ( 11.133 0.000 -8.385) 13.937 12.062 ( 5.827 0.000 -0.005) 5.827 12.145 ( -7.070 0.000 -5.382) 8.885 12.286 ( 8.525 0.000 1.016) 8.585 12.318 ( 2.805 0.000 -11.176) 11.523 12.436 ( 4.043 0.000 5.071) 6.485 12.463 ( 4.747 0.000 1.625) 5.018 12.597 ( -6.119 0.000 -1.987) 6.433 12.601 ( 0.915 0.000 0.298) 0.963 12.672 ( 2.121 0.000 5.794) 6.170 12.684 ( -3.689 0.000 5.162) 6.345 12.781 ( 1.299 0.000 1.588) 2.052 12.817 ( 5.750 0.000 1.068) 5.849 12.852 ( 3.118 0.000 0.823) 3.225 12.937 ( 1.571 0.000 -0.333) 1.606 13.001 ( -1.234 0.000 0.533) 1.344 13.092 ( 4.434 0.000 2.605) 5.143 13.099 ( -1.125 0.000 2.522) 2.762 13.312 ( 5.491 0.000 4.965) 7.403 13.392 ( 2.058 0.000 -0.777) 2.200 13.454 ( -6.274 0.000 2.405) 6.719 13.636 ( 1.679 0.000 0.898) 1.904 13.690 ( -6.305 0.000 -6.100) 8.773 13.831 ( 4.619 0.000 -1.266) 4.790 13.885 ( -3.148 0.000 -1.103) 3.335 13.902 ( 5.116 0.000 3.423) 6.155 14.024 ( -0.759 0.000 -3.675) 3.752 14.103 ( -3.133 0.000 0.101) 3.135 14.126 ( -7.200 0.000 -0.296) 7.206 14.184 ( 0.425 0.000 -2.345) 2.383 14.202 ( -2.286 0.000 0.223) 2.297 14.286 ( -2.471 0.000 -3.348) 4.161 14.525 ( -11.854 0.000 -5.579) 13.102 14.539 ( -9.639 0.000 1.006) 9.692 14.600 ( -8.822 0.000 1.497) 8.948 14.718 ( -8.041 0.000 -0.415) 8.052 14.894 ( 1.938 0.000 1.902) 2.715 15.062 ( 4.101 0.000 3.179) 5.189 15.160 ( -4.834 0.000 0.325) 4.845 15.215 ( 0.297 0.000 -6.388) 6.395 15.444 ( -2.537 0.000 -1.442) 2.918 15.659 ( 0.002 0.000 -2.486) 2.486 15.794 ( 0.739 0.000 0.601) 0.952 15.843 ( 1.840 0.000 6.228) 6.495 15.863 ( 4.187 0.000 4.721) 6.310 15.914 ( 0.443 0.000 0.187) 0.481 15.976 ( 11.071 0.000 -4.036) 11.784 16.214 ( 8.123 0.000 -3.889) 9.006 16.262 ( -5.951 0.000 4.480) 7.449 16.459 ( 6.241 0.000 -8.886) 10.859 16.466 ( -11.093 0.000 -3.879) 11.751 16.581 ( -2.074 0.000 1.554) 2.592 16.782 ( -2.474 0.000 4.918) 5.505 16.904 ( 3.783 0.000 0.245) 3.791 16.998 ( 1.798 0.000 1.109) 2.112 17.097 ( -3.466 0.000 -0.667) 3.529 17.191 ( -4.253 0.000 -4.628) 6.285 17.219 ( 4.826 0.000 -4.668) 6.714 17.370 ( 5.644 0.000 3.849) 6.831 17.407 ( 0.217 0.000 3.682) 3.688 17.447 ( 0.014 0.000 8.448) 8.448 17.510 ( 6.106 0.000 5.110) 7.962 17.547 ( 5.180 0.000 0.759) 5.236 17.660 ( 3.068 0.000 6.302) 7.009 17.732 ( 0.826 0.000 2.233) 2.381 17.787 ( -0.025 0.000 0.451) 0.452 17.817 ( -2.872 0.000 4.503) 5.341 17.941 ( -1.626 0.000 -3.011) 3.422 18.133 ( 6.052 0.000 -2.019) 6.380 18.442 ( -1.168 0.000 -4.238) 4.396 19.205 ( 15.468 0.000 -5.111) 16.291 19.333 ( 17.328 0.000 -18.301) 25.202 19.806 ( 0.359 0.000 2.055) 2.086 19.918 ( 0.590 0.000 0.484) 0.763 20.057 ( -1.834 0.000 18.605) 18.696 20.395 ( -21.161 0.000 19.799) 28.979 20.418 ( 2.298 0.000 -4.427) 4.988 21.169 ( -8.130 0.000 -10.575) 13.339 23.572 ( -7.641 0.000 -0.165) 7.643 23.582 ( -4.356 0.000 0.297) 4.367 23.795 ( -5.975 0.000 0.118) 5.977 23.795 ( -6.895 0.000 -0.131) 6.897 24.611 ( 0.634 0.000 2.607) 2.683 24.659 ( 3.826 0.000 1.867) 4.257 24.863 ( 0.445 0.000 -1.745) 1.801 24.888 ( -0.152 0.000 -1.874) 1.880 24.948 ( 2.282 0.000 0.962) 2.476 25.055 ( 2.474 0.000 -1.887) 3.111 25.355 ( 16.842 0.000 1.049) 16.875 25.501 ( 1.617 0.000 0.717) 1.769 25.673 ( -0.422 0.000 -1.873) 1.920 25.869 ( 7.398 0.000 -13.186) 15.120 26.210 ( -2.300 0.000 -0.777) 2.427 26.240 ( -0.885 0.000 -0.977) 1.319 26.467 ( -5.251 0.000 4.556) 6.952 26.509 ( -0.230 0.000 6.304) 6.308 27.007 ( -6.844 0.000 1.891) 7.100 27.269 ( -5.806 0.000 -4.606) 7.411 29.197 ( 1.834 0.000 3.269) 3.748 29.403 ( -3.659 0.000 7.785) 8.602 29.408 ( -0.626 0.000 -1.285) 1.429 29.615 ( -4.737 0.000 0.957) 4.833 30.098 ( 10.988 0.000 3.534) 11.542 30.157 ( 8.977 0.000 1.993) 9.196 30.419 ( 9.682 0.000 -2.484) 9.995 30.794 ( 4.879 0.000 -12.023) 12.975 35.308 ( -1.608 0.000 0.942) 1.863 35.441 ( -4.650 0.000 -0.762) 4.712 35.455 ( -3.157 0.000 -0.848) 3.269 35.487 ( -3.629 0.000 -2.026) 4.156 97.512 ( 0.671 0.000 3.030) 3.103 97.536 ( -0.616 0.000 5.138) 5.175 97.749 ( -2.204 0.000 -1.025) 2.431 97.775 ( -2.021 0.000 -0.817) 2.180 100.040 ( 1.639 0.000 1.742) 2.391 100.349 ( -2.252 0.000 -3.505) 4.166 100.487 ( -2.043 0.000 -2.312) 3.086 100.501 ( -6.838 0.000 -1.882) 7.092 ======================= Grid point 58 (22/72) ======================= q-point: ( 0.30 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.032 ( 45.941 0.000 14.523) 48.182 3.173 ( 43.554 0.000 19.207) 47.601 4.417 ( 18.819 0.000 10.942) 21.769 4.513 ( 17.395 0.000 5.110) 18.130 4.568 ( 23.950 0.000 3.626) 24.223 4.808 ( 11.607 0.000 -3.413) 12.098 4.920 ( 8.013 0.000 2.577) 8.417 5.117 ( 46.390 0.000 -0.172) 46.390 5.133 ( 15.347 0.000 9.120) 17.853 5.457 ( 28.753 0.000 -15.623) 32.723 5.519 ( 8.887 0.000 -10.551) 13.795 5.733 ( -1.281 0.000 6.902) 7.020 5.749 ( -4.287 0.000 -0.288) 4.297 5.856 ( -4.526 0.000 0.319) 4.538 5.955 ( -4.207 0.000 7.187) 8.328 5.981 ( -11.064 0.000 8.787) 14.129 6.018 ( 3.527 0.000 2.493) 4.319 6.215 ( -15.325 0.000 0.109) 15.325 6.373 ( -4.827 0.000 1.996) 5.224 6.433 ( -8.752 0.000 0.894) 8.797 6.537 ( 0.105 0.000 4.524) 4.526 6.672 ( 0.907 0.000 9.089) 9.134 6.726 ( -5.917 0.000 -2.210) 6.316 6.769 ( 4.284 0.000 4.086) 5.920 6.853 ( 1.424 0.000 0.396) 1.478 6.890 ( 6.839 0.000 6.620) 9.518 7.006 ( -9.749 0.000 5.982) 11.438 7.065 ( -3.941 0.000 8.012) 8.929 7.131 ( -6.734 0.000 -5.655) 8.793 7.370 ( 14.824 0.000 -0.941) 14.853 7.383 ( -1.441 0.000 -4.997) 5.201 7.440 ( 1.174 0.000 -2.369) 2.644 7.458 ( -4.492 0.000 -1.130) 4.632 7.541 ( -7.539 0.000 -3.209) 8.193 7.545 ( 4.107 0.000 1.408) 4.341 7.674 ( 1.460 0.000 5.520) 5.710 7.704 ( -1.037 0.000 0.414) 1.116 7.718 ( 12.445 0.000 -0.366) 12.450 7.758 ( -13.134 0.000 -1.387) 13.207 7.871 ( -2.427 0.000 5.019) 5.575 7.903 ( -7.860 0.000 11.662) 14.064 7.948 ( -12.375 0.000 8.322) 14.913 7.991 ( -6.983 0.000 -10.473) 12.588 8.168 ( 2.531 0.000 -0.280) 2.546 8.237 ( -11.939 0.000 -2.778) 12.258 8.466 ( -7.390 0.000 8.388) 11.179 8.488 ( 6.363 0.000 0.396) 6.376 8.600 ( -6.768 0.000 -4.088) 7.907 8.679 ( 7.961 0.000 -11.758) 14.199 8.756 ( -1.037 0.000 -7.646) 7.716 8.861 ( -9.523 0.000 -6.977) 11.805 8.886 ( -0.643 0.000 7.297) 7.325 9.025 ( 3.179 0.000 -7.230) 7.898 9.044 ( -16.336 0.000 5.767) 17.324 9.145 ( -2.986 0.000 -11.163) 11.555 9.290 ( -4.770 0.000 -3.439) 5.881 9.354 ( -1.500 0.000 1.836) 2.371 9.417 ( -3.663 0.000 -2.340) 4.347 9.501 ( 5.553 0.000 -0.464) 5.573 9.503 ( 6.239 0.000 -6.074) 8.708 9.555 ( -3.338 0.000 0.980) 3.479 9.724 ( -2.519 0.000 -6.758) 7.212 9.773 ( -0.578 0.000 -7.091) 7.115 9.812 ( -4.161 0.000 -1.963) 4.600 9.928 ( -7.455 0.000 -1.414) 7.588 9.973 ( -1.177 0.000 -8.422) 8.504 9.994 ( -7.725 0.000 -12.592) 14.773 10.018 ( -10.512 0.000 -5.918) 12.063 10.127 ( 5.498 0.000 -1.715) 5.760 10.200 ( -12.574 0.000 1.892) 12.716 10.216 ( -7.122 0.000 1.172) 7.217 10.264 ( -1.089 0.000 1.399) 1.773 10.312 ( -4.239 0.000 -1.003) 4.356 10.375 ( 2.570 0.000 6.076) 6.597 10.403 ( 0.884 0.000 -6.675) 6.733 10.510 ( 1.119 0.000 -6.076) 6.178 10.606 ( -2.628 0.000 -0.844) 2.760 10.651 ( 3.145 0.000 -1.501) 3.485 10.674 ( -3.885 0.000 0.283) 3.895 10.830 ( 3.011 0.000 -5.444) 6.222 10.830 ( -8.841 0.000 0.607) 8.862 10.866 ( -5.781 0.000 -4.484) 7.316 11.075 ( 6.998 0.000 2.046) 7.291 11.108 ( -3.355 0.000 3.233) 4.660 11.142 ( -1.948 0.000 -0.345) 1.978 11.213 ( 7.750 0.000 -0.507) 7.767 11.245 ( 2.565 0.000 2.445) 3.544 11.306 ( -2.545 0.000 3.576) 4.389 11.401 ( 3.160 0.000 13.042) 13.420 11.503 ( -2.154 0.000 5.113) 5.548 11.691 ( 0.747 0.000 6.781) 6.822 11.811 ( -7.726 0.000 3.237) 8.377 12.025 ( -4.116 0.000 -2.708) 4.927 12.055 ( 4.791 0.000 0.384) 4.807 12.185 ( 5.874 0.000 -1.944) 6.187 12.348 ( -1.087 0.000 -7.293) 7.373 12.394 ( -3.728 0.000 6.095) 7.145 12.490 ( 0.814 0.000 -4.656) 4.727 12.500 ( -7.268 0.000 1.152) 7.359 12.502 ( 3.349 0.000 -7.707) 8.403 12.524 ( -1.647 0.000 -3.937) 4.267 12.616 ( -3.497 0.000 -0.497) 3.532 12.698 ( -13.779 0.000 1.559) 13.867 12.736 ( 8.023 0.000 -0.531) 8.041 12.855 ( 1.958 0.000 -3.098) 3.664 12.911 ( 3.201 0.000 2.787) 4.244 12.920 ( -4.972 0.000 -5.442) 7.372 13.044 ( 0.321 0.000 2.938) 2.955 13.056 ( 4.685 0.000 2.747) 5.431 13.245 ( -2.211 0.000 1.693) 2.785 13.263 ( 7.268 0.000 -1.552) 7.431 13.491 ( 6.151 0.000 -3.834) 7.248 13.545 ( 9.439 0.000 2.869) 9.865 13.592 ( -3.238 0.000 0.837) 3.345 13.712 ( 5.208 0.000 -0.033) 5.208 13.773 ( -6.427 0.000 0.192) 6.430 13.884 ( 0.936 0.000 -2.676) 2.835 13.911 ( -8.169 0.000 -6.341) 10.341 13.920 ( -1.442 0.000 -0.126) 1.448 14.027 ( -1.047 0.000 0.325) 1.096 14.058 ( -7.667 0.000 0.005) 7.667 14.203 ( 0.324 0.000 2.809) 2.828 14.224 ( 0.961 0.000 4.893) 4.986 14.249 ( -2.717 0.000 -6.511) 7.055 14.353 ( 3.309 0.000 3.031) 4.487 14.416 ( -3.930 0.000 -0.123) 3.932 14.562 ( 3.629 0.000 2.567) 4.445 14.629 ( -2.050 0.000 -5.643) 6.003 14.839 ( -7.860 0.000 -3.771) 8.718 15.115 ( 0.936 0.000 5.713) 5.789 15.174 ( 6.381 0.000 1.749) 6.616 15.245 ( 2.214 0.000 -1.364) 2.600 15.391 ( -0.658 0.000 6.224) 6.259 15.563 ( -8.205 0.000 -5.913) 10.114 15.825 ( 1.446 0.000 0.523) 1.537 15.871 ( -2.540 0.000 -2.206) 3.364 15.890 ( 2.988 0.000 6.080) 6.774 15.937 ( 1.766 0.000 3.873) 4.257 16.153 ( -3.301 0.000 8.836) 9.432 16.173 ( -14.989 0.000 -4.080) 15.534 16.208 ( 8.521 0.000 -4.573) 9.671 16.407 ( 7.934 0.000 -0.337) 7.941 16.559 ( 5.144 0.000 3.661) 6.313 16.579 ( 0.031 0.000 2.041) 2.041 16.763 ( 0.273 0.000 4.759) 4.767 16.915 ( -1.553 0.000 -0.893) 1.792 17.048 ( -1.536 0.000 -6.477) 6.656 17.088 ( -4.405 0.000 -3.228) 5.462 17.088 ( 5.210 0.000 1.744) 5.494 17.276 ( 1.242 0.000 3.116) 3.354 17.432 ( -0.051 0.000 2.707) 2.708 17.441 ( 2.598 0.000 -3.235) 4.149 17.487 ( 5.094 0.000 8.254) 9.699 17.602 ( 3.165 0.000 1.941) 3.713 17.614 ( 2.053 0.000 1.448) 2.512 17.700 ( -3.059 0.000 -1.497) 3.406 17.707 ( 0.058 0.000 4.846) 4.846 17.773 ( -0.071 0.000 5.190) 5.190 17.799 ( 0.342 0.000 5.226) 5.237 17.911 ( -1.486 0.000 1.972) 2.469 18.272 ( 7.746 0.000 -2.034) 8.009 18.448 ( 1.846 0.000 -3.585) 4.032 19.356 ( 0.038 0.000 -3.731) 3.731 19.500 ( -1.222 0.000 -10.111) 10.185 19.820 ( 1.528 0.000 0.570) 1.631 19.914 ( -0.834 0.000 -0.270) 0.877 20.047 ( 0.552 0.000 11.022) 11.036 20.125 ( -6.867 0.000 10.646) 12.669 20.557 ( 11.299 0.000 -7.887) 13.779 21.062 ( -2.960 0.000 -13.185) 13.513 23.464 ( -3.495 0.000 0.950) 3.622 23.514 ( -2.626 0.000 0.373) 2.652 23.662 ( -6.172 0.000 0.185) 6.175 23.668 ( -6.444 0.000 0.213) 6.448 24.630 ( 1.303 0.000 2.101) 2.472 24.749 ( 5.288 0.000 0.577) 5.319 24.825 ( -2.776 0.000 -1.022) 2.958 24.921 ( 2.082 0.000 -1.931) 2.839 24.985 ( 1.509 0.000 0.397) 1.560 25.076 ( -0.173 0.000 -1.564) 1.573 25.539 ( 2.217 0.000 0.888) 2.389 25.624 ( 8.881 0.000 0.204) 8.884 25.664 ( 0.291 0.000 -0.419) 0.510 25.899 ( -2.018 0.000 -4.137) 4.603 26.169 ( -2.948 0.000 2.217) 3.689 26.208 ( -3.701 0.000 -1.660) 4.056 26.402 ( 0.421 0.000 7.027) 7.040 26.491 ( -0.476 0.000 5.429) 5.450 26.941 ( -0.907 0.000 -3.436) 3.553 27.144 ( -6.617 0.000 -5.294) 8.474 29.239 ( 2.456 0.000 2.113) 3.240 29.366 ( -0.635 0.000 3.217) 3.279 29.393 ( -0.943 0.000 -1.069) 1.425 29.524 ( -4.411 0.000 -0.392) 4.428 30.315 ( 10.621 0.000 2.826) 10.990 30.366 ( 11.855 0.000 2.069) 12.035 30.582 ( 6.409 0.000 -2.070) 6.735 30.855 ( 1.444 0.000 -7.288) 7.430 35.279 ( -1.175 0.000 0.550) 1.298 35.356 ( -3.791 0.000 -0.281) 3.801 35.388 ( -3.535 0.000 -0.749) 3.613 35.410 ( -3.999 0.000 -1.509) 4.274 97.531 ( 1.361 0.000 2.145) 2.540 97.546 ( 1.223 0.000 2.825) 3.079 97.702 ( -2.538 0.000 -0.709) 2.635 97.729 ( -2.572 0.000 -0.684) 2.662 100.081 ( 2.532 0.000 1.325) 2.858 100.303 ( -2.302 0.000 -2.071) 3.096 100.381 ( -5.127 0.000 -0.767) 5.185 100.425 ( -4.019 0.000 -1.879) 4.436 ======================= Grid point 59 (23/72) ======================= q-point: ( 0.40 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.924 ( 44.734 0.000 9.707) 45.775 3.970 ( 37.103 0.000 16.276) 40.515 4.752 ( 5.528 0.000 7.519) 9.332 4.758 ( 15.867 0.000 10.420) 18.983 4.892 ( 3.376 0.000 3.382) 4.779 4.985 ( 18.449 0.000 1.402) 18.502 5.125 ( 5.340 0.000 5.499) 7.665 5.336 ( 5.117 0.000 12.072) 13.112 5.388 ( -15.166 0.000 -7.714) 17.014 5.516 ( -21.103 0.000 5.756) 21.874 5.643 ( -9.598 0.000 4.310) 10.521 5.657 ( -7.473 0.000 -0.210) 7.476 5.750 ( 9.555 0.000 2.941) 9.998 5.873 ( 0.046 0.000 -1.536) 1.536 5.914 ( 10.314 0.000 -2.180) 10.541 6.031 ( 11.447 0.000 -2.606) 11.740 6.077 ( 13.021 0.000 1.104) 13.068 6.281 ( -2.333 0.000 -4.440) 5.016 6.296 ( -3.776 0.000 0.299) 3.788 6.422 ( 20.257 0.000 0.155) 20.258 6.596 ( 3.806 0.000 -0.081) 3.807 6.613 ( -1.617 0.000 -1.078) 1.944 6.633 ( -10.272 0.000 4.162) 11.083 6.791 ( -6.107 0.000 2.646) 6.655 6.866 ( 8.259 0.000 4.835) 9.571 6.879 ( -1.039 0.000 -1.663) 1.961 6.994 ( -0.911 0.000 -2.141) 2.327 6.996 ( -3.260 0.000 4.603) 5.640 7.096 ( 5.658 0.000 2.242) 6.086 7.156 ( -13.437 0.000 -1.977) 13.581 7.332 ( -9.555 0.000 -0.953) 9.602 7.408 ( -8.675 0.000 -7.177) 11.259 7.416 ( -5.730 0.000 -5.526) 7.960 7.430 ( -3.157 0.000 -3.838) 4.970 7.530 ( -9.603 0.000 -4.969) 10.813 7.552 ( 3.128 0.000 2.092) 3.763 7.659 ( -1.037 0.000 0.240) 1.065 7.671 ( -2.915 0.000 -1.798) 3.425 7.678 ( -1.294 0.000 2.130) 2.492 7.809 ( -3.032 0.000 5.397) 6.190 7.893 ( 6.448 0.000 8.145) 10.388 7.957 ( 3.748 0.000 1.867) 4.188 8.040 ( -8.443 0.000 1.309) 8.543 8.339 ( -2.494 0.000 6.724) 7.172 8.382 ( 16.919 0.000 4.826) 17.593 8.411 ( 17.432 0.000 1.143) 17.469 8.485 ( 1.304 0.000 -5.141) 5.304 8.556 ( -9.553 0.000 4.067) 10.383 8.593 ( 4.292 0.000 -4.013) 5.876 8.700 ( -0.946 0.000 1.803) 2.036 8.742 ( -3.381 0.000 -3.139) 4.613 8.837 ( -4.948 0.000 1.868) 5.288 8.891 ( 1.806 0.000 9.548) 9.717 8.934 ( 4.124 0.000 -3.241) 5.245 9.174 ( -12.645 0.000 -7.907) 14.914 9.224 ( -6.517 0.000 3.306) 7.308 9.377 ( 0.316 0.000 -4.008) 4.020 9.400 ( 6.392 0.000 2.269) 6.783 9.497 ( 1.050 0.000 1.353) 1.712 9.567 ( -0.235 0.000 -5.423) 5.428 9.607 ( 2.066 0.000 0.088) 2.068 9.689 ( -1.172 0.000 -9.838) 9.908 9.710 ( -7.913 0.000 -4.150) 8.935 9.762 ( -9.802 0.000 -4.388) 10.740 9.786 ( -3.070 0.000 -4.120) 5.139 9.799 ( -5.194 0.000 -5.783) 7.773 9.830 ( -3.537 0.000 -10.097) 10.699 9.887 ( -6.497 0.000 -0.438) 6.512 10.024 ( -5.834 0.000 -7.407) 9.428 10.120 ( -3.744 0.000 -6.362) 7.381 10.211 ( -3.956 0.000 2.546) 4.705 10.265 ( 0.990 0.000 1.462) 1.766 10.273 ( 6.519 0.000 2.750) 7.075 10.371 ( -4.483 0.000 5.681) 7.237 10.417 ( -0.321 0.000 -0.664) 0.738 10.466 ( -3.963 0.000 1.628) 4.284 10.558 ( -0.351 0.000 -2.559) 2.583 10.613 ( -6.939 0.000 0.191) 6.941 10.665 ( 1.826 0.000 -1.067) 2.115 10.729 ( -4.451 0.000 -3.313) 5.549 10.777 ( 4.377 0.000 -2.007) 4.816 10.889 ( 2.177 0.000 -4.729) 5.206 11.043 ( -2.805 0.000 0.132) 2.808 11.146 ( 0.043 0.000 -3.634) 3.634 11.203 ( 5.174 0.000 3.783) 6.410 11.304 ( 0.985 0.000 -1.793) 2.046 11.332 ( 5.762 0.000 -3.290) 6.635 11.359 ( 6.286 0.000 6.016) 8.701 11.433 ( -0.598 0.000 8.646) 8.667 11.467 ( -1.121 0.000 -0.783) 1.367 11.640 ( -5.263 0.000 3.012) 6.064 11.646 ( -7.014 0.000 4.194) 8.172 11.968 ( -1.957 0.000 -0.349) 1.988 12.112 ( -4.986 0.000 -2.085) 5.404 12.161 ( -2.971 0.000 2.818) 4.095 12.249 ( -6.576 0.000 2.198) 6.934 12.323 ( -6.649 0.000 -1.004) 6.724 12.344 ( -6.797 0.000 -0.022) 6.797 12.411 ( 2.049 0.000 -0.080) 2.051 12.473 ( -1.491 0.000 -2.281) 2.725 12.488 ( -1.243 0.000 -12.803) 12.863 12.589 ( -1.207 0.000 2.234) 2.539 12.700 ( 8.634 0.000 -4.805) 9.881 12.831 ( -1.974 0.000 -10.852) 11.030 12.913 ( 3.253 0.000 -1.925) 3.780 12.938 ( -0.276 0.000 3.719) 3.729 12.956 ( 10.162 0.000 -4.457) 11.097 13.057 ( -4.221 0.000 0.365) 4.237 13.111 ( 5.338 0.000 -3.414) 6.337 13.274 ( -3.940 0.000 -3.227) 5.093 13.326 ( 6.991 0.000 4.527) 8.329 13.486 ( -8.452 0.000 4.446) 9.550 13.613 ( 5.081 0.000 -5.804) 7.714 13.685 ( 1.134 0.000 -2.851) 3.068 13.720 ( 7.036 0.000 -2.551) 7.484 13.769 ( -3.876 0.000 -3.541) 5.250 13.829 ( 0.710 0.000 -2.055) 2.175 13.861 ( -2.122 0.000 -4.415) 4.899 13.881 ( 1.061 0.000 -4.954) 5.067 14.011 ( 2.643 0.000 2.320) 3.517 14.066 ( 2.853 0.000 -1.129) 3.068 14.156 ( -2.993 0.000 -0.585) 3.049 14.179 ( -4.026 0.000 0.556) 4.064 14.253 ( 1.490 0.000 10.115) 10.225 14.378 ( -0.579 0.000 -0.192) 0.610 14.479 ( 5.345 0.000 3.225) 6.243 14.562 ( -6.452 0.000 -3.143) 7.177 14.621 ( 1.073 0.000 5.181) 5.291 14.752 ( 2.944 0.000 -7.924) 8.453 15.079 ( -5.827 0.000 -0.850) 5.889 15.264 ( 1.582 0.000 1.101) 1.927 15.276 ( 0.512 0.000 -0.053) 0.515 15.443 ( -0.833 0.000 3.160) 3.268 15.487 ( 9.119 0.000 9.642) 13.272 15.798 ( -4.698 0.000 1.861) 5.054 15.813 ( -8.471 0.000 9.287) 12.570 15.895 ( -0.693 0.000 -0.477) 0.841 15.942 ( -0.265 0.000 2.641) 2.654 15.972 ( -0.567 0.000 0.047) 0.569 16.100 ( -3.470 0.000 7.604) 8.359 16.333 ( 5.192 0.000 -4.945) 7.170 16.496 ( 0.153 0.000 -2.153) 2.159 16.592 ( 2.435 0.000 0.165) 2.440 16.664 ( 4.753 0.000 8.248) 9.520 16.787 ( 1.753 0.000 7.924) 8.116 16.856 ( -4.277 0.000 -2.660) 5.036 17.013 ( -2.731 0.000 -4.663) 5.404 17.015 ( -1.810 0.000 -5.652) 5.935 17.204 ( 5.433 0.000 3.117) 6.263 17.290 ( 0.366 0.000 6.454) 6.465 17.436 ( 0.826 0.000 1.454) 1.672 17.476 ( 0.580 0.000 -5.394) 5.425 17.580 ( 3.649 0.000 4.689) 5.942 17.633 ( 0.085 0.000 1.055) 1.058 17.635 ( -1.144 0.000 2.016) 2.318 17.646 ( -0.398 0.000 -1.131) 1.199 17.690 ( 0.303 0.000 5.678) 5.686 17.783 ( -2.040 0.000 5.337) 5.713 17.807 ( 2.238 0.000 3.881) 4.480 17.881 ( -1.595 0.000 3.576) 3.915 18.422 ( 7.123 0.000 -1.140) 7.213 18.502 ( 2.966 0.000 -2.196) 3.691 19.281 ( -5.270 0.000 -2.864) 5.998 19.361 ( -9.358 0.000 -4.332) 10.312 19.856 ( 1.662 0.000 -0.869) 1.875 19.897 ( -0.809 0.000 -0.831) 1.160 20.061 ( 0.695 0.000 6.526) 6.563 20.073 ( -0.355 0.000 5.733) 5.744 20.792 ( 11.121 0.000 -10.863) 15.546 21.026 ( -1.738 0.000 -13.863) 13.972 23.425 ( -0.752 0.000 0.979) 1.234 23.471 ( -2.128 0.000 0.143) 2.133 23.565 ( -3.539 0.000 0.888) 3.648 23.568 ( -3.223 0.000 0.617) 3.281 24.663 ( 2.117 0.000 1.484) 2.585 24.768 ( -2.964 0.000 -0.164) 2.969 24.858 ( 5.482 0.000 -0.993) 5.571 24.958 ( 1.607 0.000 -1.819) 2.427 25.002 ( 0.017 0.000 -0.621) 0.621 25.055 ( -1.830 0.000 -1.104) 2.137 25.585 ( 2.310 0.000 0.861) 2.465 25.644 ( -0.772 0.000 -0.064) 0.775 25.750 ( 3.394 0.000 -0.353) 3.413 25.846 ( -2.774 0.000 -2.072) 3.463 26.094 ( -3.841 0.000 5.756) 6.920 26.109 ( -4.975 0.000 2.906) 5.761 26.466 ( 4.146 0.000 4.176) 5.885 26.503 ( 1.286 0.000 2.184) 2.535 26.941 ( 0.490 0.000 -3.765) 3.796 27.027 ( -4.899 0.000 -4.969) 6.978 29.290 ( 2.590 0.000 1.066) 2.801 29.368 ( 0.758 0.000 0.855) 1.143 29.370 ( -1.368 0.000 -0.584) 1.488 29.447 ( -3.361 0.000 -0.784) 3.451 30.503 ( 8.284 0.000 1.763) 8.469 30.590 ( 10.484 0.000 0.928) 10.525 30.657 ( 1.161 0.000 -0.969) 1.512 30.847 ( -2.325 0.000 -3.829) 4.479 35.267 ( 0.048 0.000 0.063) 0.079 35.302 ( -1.624 0.000 -0.131) 1.629 35.324 ( -2.792 0.000 -0.527) 2.841 35.339 ( -3.122 0.000 -0.991) 3.275 97.564 ( 1.911 0.000 1.230) 2.273 97.578 ( 2.073 0.000 1.492) 2.554 97.652 ( -2.514 0.000 -0.202) 2.522 97.677 ( -2.737 0.000 -0.231) 2.746 100.139 ( 3.398 0.000 0.702) 3.470 100.261 ( -2.086 0.000 -1.017) 2.321 100.307 ( -2.362 0.000 -0.499) 2.414 100.342 ( -4.051 0.000 -1.337) 4.266 ======================= Grid point 60 (24/72) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.562 ( -18.573 0.000 12.298) 22.275 4.562 ( 18.573 0.000 12.298) 22.275 4.778 ( -36.450 0.000 7.049) 37.125 4.778 ( 36.450 0.000 7.049) 37.125 4.985 ( -3.546 0.000 6.733) 7.610 4.985 ( 3.546 0.000 6.733) 7.610 5.164 ( -5.719 0.000 3.817) 6.876 5.164 ( 5.719 0.000 3.817) 6.876 5.299 ( -6.011 0.000 8.028) 10.029 5.299 ( 6.011 0.000 8.028) 10.029 5.539 ( -1.358 0.000 3.740) 3.979 5.539 ( 1.358 0.000 3.740) 3.979 5.871 ( -3.437 0.000 0.436) 3.465 5.871 ( 3.437 0.000 0.436) 3.465 6.190 ( -4.773 0.000 -1.412) 4.977 6.190 ( 4.773 0.000 -1.412) 4.977 6.262 ( -9.817 0.000 -0.039) 9.817 6.262 ( 9.817 0.000 -0.039) 9.817 6.322 ( -9.243 0.000 -4.881) 10.452 6.322 ( 9.243 0.000 -4.881) 10.452 6.625 ( -5.191 0.000 -6.302) 8.165 6.625 ( 5.191 0.000 -6.302) 8.165 6.713 ( -12.664 0.000 -3.695) 13.192 6.713 ( 12.664 0.000 -3.695) 13.192 6.777 ( -3.417 0.000 0.937) 3.543 6.777 ( 3.417 0.000 0.937) 3.543 6.944 ( -1.800 0.000 1.522) 2.357 6.944 ( 1.800 0.000 1.522) 2.357 7.081 ( -8.473 0.000 0.526) 8.489 7.081 ( 8.473 0.000 0.526) 8.489 7.358 ( -3.855 0.000 -3.832) 5.436 7.358 ( 3.855 0.000 -3.832) 5.436 7.386 ( -4.671 0.000 1.231) 4.830 7.386 ( 4.671 0.000 1.231) 4.830 7.513 ( -10.255 0.000 -5.536) 11.654 7.513 ( 10.255 0.000 -5.536) 11.654 7.654 ( -10.658 0.000 -1.201) 10.726 7.654 ( 10.658 0.000 -1.201) 10.726 7.731 ( -1.785 0.000 3.512) 3.939 7.731 ( 1.785 0.000 3.512) 3.939 7.915 ( -2.339 0.000 6.692) 7.089 7.915 ( 2.339 0.000 6.692) 7.089 8.311 ( -1.785 0.000 3.236) 3.695 8.311 ( 1.785 0.000 3.236) 3.695 8.374 ( -5.913 0.000 -0.828) 5.971 8.374 ( 5.913 0.000 -0.828) 5.971 8.434 ( -22.909 0.000 4.641) 23.374 8.434 ( 22.909 0.000 4.641) 23.374 8.669 ( -3.665 0.000 -3.714) 5.218 8.669 ( 3.665 0.000 -3.714) 5.218 8.913 ( -5.966 0.000 1.893) 6.259 8.913 ( 5.966 0.000 1.893) 6.259 9.002 ( -0.589 0.000 4.412) 4.451 9.002 ( 0.589 0.000 4.412) 4.451 9.083 ( -6.580 0.000 1.884) 6.844 9.083 ( 6.580 0.000 1.884) 6.844 9.385 ( -11.314 0.000 -0.484) 11.324 9.385 ( 11.314 0.000 -0.484) 11.324 9.550 ( -6.012 0.000 1.349) 6.161 9.550 ( 6.012 0.000 1.349) 6.161 9.576 ( -1.782 0.000 -3.124) 3.597 9.576 ( 1.782 0.000 -3.124) 3.597 9.667 ( -1.155 0.000 -13.700) 13.749 9.667 ( 1.155 0.000 -13.700) 13.749 9.750 ( -2.156 0.000 1.935) 2.897 9.750 ( 2.156 0.000 1.935) 2.897 9.772 ( -3.395 0.000 -2.502) 4.217 9.772 ( 3.395 0.000 -2.502) 4.217 10.037 ( -4.192 0.000 -6.935) 8.103 10.037 ( 4.192 0.000 -6.935) 8.103 10.242 ( -5.747 0.000 2.768) 6.378 10.242 ( 5.747 0.000 2.768) 6.378 10.305 ( -2.007 0.000 0.883) 2.193 10.305 ( 2.007 0.000 0.883) 2.193 10.425 ( -1.151 0.000 0.064) 1.153 10.425 ( 1.151 0.000 0.064) 1.153 10.546 ( -0.194 0.000 0.493) 0.530 10.546 ( 0.194 0.000 0.493) 0.530 10.699 ( -0.557 0.000 -0.620) 0.834 10.699 ( 0.557 0.000 -0.620) 0.834 10.874 ( -4.093 0.000 -4.538) 6.111 10.874 ( 4.093 0.000 -4.538) 6.111 11.069 ( -5.853 0.000 -2.111) 6.222 11.069 ( 5.853 0.000 -2.111) 6.222 11.285 ( -3.125 0.000 -1.084) 3.308 11.285 ( 3.125 0.000 -1.084) 3.308 11.410 ( -0.623 0.000 1.123) 1.284 11.410 ( 0.623 0.000 1.123) 1.284 11.460 ( -3.271 0.000 -0.155) 3.275 11.460 ( 3.271 0.000 -0.155) 3.275 11.559 ( -1.040 0.000 3.671) 3.816 11.559 ( 1.040 0.000 3.671) 3.816 11.971 ( -3.395 0.000 0.233) 3.403 11.971 ( 3.395 0.000 0.233) 3.403 12.171 ( -1.456 0.000 4.002) 4.259 12.171 ( 1.456 0.000 4.002) 4.259 12.264 ( -0.848 0.000 -0.971) 1.289 12.264 ( 0.848 0.000 -0.971) 1.289 12.462 ( -1.531 0.000 -10.221) 10.336 12.462 ( 1.531 0.000 -10.221) 10.336 12.522 ( -5.130 0.000 1.909) 5.474 12.522 ( 5.130 0.000 1.909) 5.474 12.822 ( -1.675 0.000 -7.146) 7.340 12.822 ( 1.675 0.000 -7.146) 7.340 12.923 ( -0.537 0.000 -0.298) 0.614 12.923 ( 0.537 0.000 -0.298) 0.614 13.038 ( -2.051 0.000 -4.165) 4.643 13.038 ( 2.051 0.000 -4.165) 4.643 13.206 ( -3.592 0.000 -2.256) 4.241 13.206 ( 3.592 0.000 -2.256) 4.241 13.383 ( -0.557 0.000 6.298) 6.322 13.383 ( 0.557 0.000 6.298) 6.322 13.671 ( -2.992 0.000 -4.842) 5.692 13.671 ( 2.992 0.000 -4.842) 5.692 13.780 ( -5.072 0.000 -4.290) 6.643 13.780 ( 5.072 0.000 -4.290) 6.643 13.857 ( -3.840 0.000 -5.904) 7.043 13.857 ( 3.840 0.000 -5.904) 7.043 13.946 ( -8.795 0.000 -6.479) 10.923 13.946 ( 8.795 0.000 -6.479) 10.923 14.086 ( -4.868 0.000 2.946) 5.690 14.086 ( 4.868 0.000 2.946) 5.690 14.251 ( -4.153 0.000 4.903) 6.426 14.251 ( 4.153 0.000 4.903) 6.426 14.396 ( -4.461 0.000 0.088) 4.462 14.396 ( 4.461 0.000 0.088) 4.462 14.594 ( -3.508 0.000 7.115) 7.933 14.594 ( 3.508 0.000 7.115) 7.933 14.901 ( -10.246 0.000 -7.211) 12.529 14.901 ( 10.246 0.000 -7.211) 12.529 15.279 ( -0.227 0.000 0.511) 0.559 15.279 ( 0.227 0.000 0.511) 0.559 15.534 ( -7.236 0.000 8.256) 10.978 15.534 ( 7.236 0.000 8.256) 10.978 15.708 ( -3.617 0.000 7.718) 8.524 15.708 ( 3.617 0.000 7.718) 8.524 15.935 ( -1.172 0.000 2.535) 2.793 15.935 ( 1.172 0.000 2.535) 2.793 16.005 ( -4.603 0.000 2.745) 5.359 16.005 ( 4.603 0.000 2.745) 5.359 16.436 ( -5.049 0.000 -2.945) 5.845 16.436 ( 5.049 0.000 -2.945) 5.845 16.676 ( -4.444 0.000 1.307) 4.632 16.676 ( 4.444 0.000 1.307) 4.632 16.802 ( -0.049 0.000 5.689) 5.689 16.802 ( 0.049 0.000 5.689) 5.689 16.989 ( -0.382 0.000 -5.361) 5.374 16.989 ( 0.382 0.000 -5.361) 5.374 17.279 ( -2.001 0.000 5.977) 6.303 17.279 ( 2.001 0.000 5.977) 6.303 17.463 ( -1.545 0.000 -3.155) 3.513 17.463 ( 1.545 0.000 -3.155) 3.513 17.608 ( -0.573 0.000 2.011) 2.091 17.608 ( 0.573 0.000 2.011) 2.091 17.647 ( -0.652 0.000 1.111) 1.288 17.647 ( 0.652 0.000 1.111) 1.288 17.729 ( -3.036 0.000 5.131) 5.963 17.729 ( 3.036 0.000 5.131) 5.963 17.847 ( -1.882 0.000 3.828) 4.266 17.847 ( 1.882 0.000 3.828) 4.266 18.520 ( -2.093 0.000 -1.054) 2.344 18.520 ( 2.093 0.000 -1.054) 2.344 19.235 ( -2.090 0.000 -2.986) 3.645 19.235 ( 2.090 0.000 -2.986) 3.645 19.881 ( -0.961 0.000 -1.043) 1.418 19.881 ( 0.961 0.000 -1.043) 1.418 20.070 ( -0.219 0.000 4.698) 4.703 20.070 ( 0.219 0.000 4.698) 4.703 20.959 ( -5.750 0.000 -12.782) 14.016 20.959 ( 5.750 0.000 -12.782) 14.016 23.432 ( -1.452 0.000 0.277) 1.478 23.432 ( 1.452 0.000 0.277) 1.478 23.535 ( -0.223 0.000 1.196) 1.216 23.535 ( 0.223 0.000 1.196) 1.216 24.711 ( -2.742 0.000 0.750) 2.843 24.711 ( 2.742 0.000 0.750) 2.843 24.948 ( -3.238 0.000 -2.332) 3.990 24.948 ( 3.238 0.000 -2.332) 3.990 25.015 ( -1.906 0.000 -0.495) 1.969 25.015 ( 1.906 0.000 -0.495) 1.969 25.623 ( -1.496 0.000 0.559) 1.597 25.623 ( 1.496 0.000 0.559) 1.597 25.799 ( -2.145 0.000 -1.291) 2.503 25.799 ( 2.145 0.000 -1.291) 2.503 26.053 ( -0.258 0.000 5.533) 5.539 26.053 ( 0.258 0.000 5.533) 5.539 26.516 ( -0.611 0.000 2.238) 2.320 26.516 ( 0.611 0.000 2.238) 2.320 26.961 ( -1.904 0.000 -4.018) 4.446 26.961 ( 1.904 0.000 -4.018) 4.446 29.337 ( -2.115 0.000 0.177) 2.122 29.337 ( 2.115 0.000 0.177) 2.122 29.394 ( -1.998 0.000 -0.380) 2.034 29.394 ( 1.998 0.000 -0.380) 2.034 30.627 ( -4.146 0.000 0.423) 4.168 30.627 ( 4.146 0.000 0.423) 4.168 30.760 ( -6.657 0.000 -1.118) 6.751 30.760 ( 6.657 0.000 -1.118) 6.751 35.283 ( -1.457 0.000 -0.347) 1.498 35.283 ( 1.457 0.000 -0.347) 1.498 35.296 ( -1.055 0.000 -0.384) 1.123 35.296 ( 1.055 0.000 -0.384) 1.123 97.605 ( -2.275 0.000 0.465) 2.322 97.605 ( 2.275 0.000 0.465) 2.322 97.624 ( -2.569 0.000 0.496) 2.617 97.624 ( 2.569 0.000 0.496) 2.617 100.209 ( -3.414 0.000 -0.032) 3.414 100.209 ( 3.414 0.000 -0.032) 3.414 100.291 ( -0.794 0.000 -0.866) 1.175 100.291 ( 0.794 0.000 -0.866) 1.175 ======================= Grid point 66 (25/72) ======================= q-point: ( 0.00 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 0.000 34.597 37.919) 51.330 1.435 ( 0.000 38.061 38.088) 53.845 2.301 ( 0.000 62.455 59.449) 86.225 2.845 ( 0.000 -42.832 17.969) 46.448 2.948 ( 0.000 -43.338 25.879) 50.477 4.297 ( 0.000 36.298 6.702) 36.911 4.365 ( 0.000 30.094 8.764) 31.344 4.663 ( 0.000 -7.782 -26.791) 27.899 4.776 ( 0.000 -1.014 -17.423) 17.453 4.876 ( 0.000 8.222 -32.271) 33.302 5.104 ( 0.000 -56.707 5.468) 56.970 5.400 ( 0.000 -19.560 -17.076) 25.965 5.505 ( 0.000 -16.027 -6.088) 17.144 5.649 ( 0.000 -16.392 8.269) 18.359 5.923 ( 0.000 -2.450 3.434) 4.218 6.033 ( 0.000 3.540 0.370) 3.560 6.178 ( 0.000 5.652 -2.705) 6.266 6.240 ( 0.000 -2.835 6.403) 7.002 6.314 ( 0.000 10.201 -0.062) 10.201 6.343 ( 0.000 -17.168 1.315) 17.218 6.487 ( 0.000 -6.936 10.117) 12.266 6.725 ( 0.000 -6.175 11.805) 13.322 6.872 ( 0.000 2.534 2.390) 3.483 6.916 ( 0.000 12.317 -3.279) 12.746 7.024 ( 0.000 -1.155 8.885) 8.960 7.070 ( 0.000 1.742 -4.734) 5.044 7.087 ( 0.000 8.045 0.499) 8.061 7.215 ( 0.000 5.754 7.642) 9.566 7.330 ( 0.000 11.208 0.526) 11.220 7.467 ( 0.000 -4.100 7.384) 8.446 7.557 ( 0.000 11.905 -4.214) 12.628 7.566 ( 0.000 8.399 9.274) 12.512 7.573 ( 0.000 3.044 2.568) 3.982 7.622 ( 0.000 -5.084 -6.127) 7.961 7.768 ( 0.000 5.225 -3.782) 6.450 7.776 ( 0.000 20.884 13.681) 24.967 7.883 ( 0.000 4.730 -13.431) 14.240 7.893 ( 0.000 0.839 1.206) 1.469 7.908 ( 0.000 0.421 4.396) 4.416 7.954 ( 0.000 0.135 9.203) 9.204 8.096 ( 0.000 2.999 -2.384) 3.831 8.208 ( 0.000 -0.461 -2.400) 2.444 8.294 ( 0.000 0.372 8.995) 9.002 8.317 ( 0.000 -5.685 -6.419) 8.574 8.330 ( 0.000 3.738 5.528) 6.673 8.424 ( 0.000 -8.682 1.110) 8.752 8.477 ( 0.000 -4.257 -7.496) 8.621 8.530 ( 0.000 -14.739 -5.763) 15.825 8.570 ( 0.000 15.720 -7.260) 17.315 8.671 ( 0.000 9.035 1.658) 9.186 8.775 ( 0.000 3.409 3.668) 5.007 8.899 ( 0.000 -3.364 -1.530) 3.696 8.931 ( 0.000 -4.034 -11.298) 11.996 9.125 ( 0.000 -4.144 -7.027) 8.158 9.173 ( 0.000 -9.510 -15.510) 18.193 9.414 ( 0.000 5.712 -1.468) 5.898 9.419 ( 0.000 3.032 -3.300) 4.481 9.518 ( 0.000 4.779 -6.921) 8.410 9.551 ( 0.000 6.654 -3.924) 7.725 9.746 ( 0.000 3.624 3.061) 4.744 9.837 ( 0.000 -3.131 4.135) 5.186 9.852 ( 0.000 -5.700 -3.931) 6.924 9.954 ( 0.000 0.124 -4.261) 4.262 9.995 ( 0.000 -10.756 3.728) 11.383 10.100 ( 0.000 -3.160 -2.347) 3.936 10.115 ( 0.000 -1.679 -9.777) 9.920 10.174 ( 0.000 3.019 0.140) 3.022 10.184 ( 0.000 -2.672 -0.192) 2.679 10.294 ( 0.000 -6.980 -1.283) 7.097 10.304 ( 0.000 -3.894 5.397) 6.655 10.305 ( 0.000 -1.016 3.943) 4.072 10.421 ( 0.000 -7.067 -6.698) 9.737 10.465 ( 0.000 0.212 7.247) 7.250 10.529 ( 0.000 -0.937 0.200) 0.958 10.613 ( 0.000 2.588 -5.749) 6.304 10.650 ( 0.000 -0.896 0.125) 0.904 10.716 ( 0.000 -2.826 2.004) 3.464 10.726 ( 0.000 6.566 -6.148) 8.995 10.751 ( 0.000 -4.688 2.125) 5.147 10.855 ( 0.000 5.982 -1.126) 6.087 10.890 ( 0.000 3.864 -0.497) 3.895 10.978 ( 0.000 -2.632 -2.301) 3.496 11.027 ( 0.000 4.394 2.218) 4.922 11.088 ( 0.000 3.223 -0.180) 3.228 11.176 ( 0.000 0.538 2.195) 2.260 11.239 ( 0.000 -3.322 -3.796) 5.044 11.404 ( 0.000 1.565 -0.097) 1.568 11.430 ( 0.000 3.587 -9.849) 10.482 11.461 ( 0.000 0.716 1.477) 1.641 11.621 ( 0.000 -2.808 2.001) 3.448 11.695 ( 0.000 2.030 -0.610) 2.120 11.765 ( 0.000 -4.892 -4.773) 6.834 11.821 ( 0.000 -0.316 13.780) 13.783 11.886 ( 0.000 9.470 -7.570) 12.124 12.061 ( 0.000 -1.244 2.163) 2.495 12.158 ( 0.000 -9.497 0.171) 9.498 12.250 ( 0.000 -1.269 -8.222) 8.320 12.303 ( 0.000 -1.169 -0.339) 1.217 12.351 ( 0.000 1.984 5.267) 5.628 12.389 ( 0.000 -2.737 2.206) 3.515 12.438 ( 0.000 -10.048 -2.514) 10.357 12.559 ( 0.000 -8.792 8.731) 12.391 12.589 ( 0.000 -0.349 3.971) 3.986 12.738 ( 0.000 -7.858 3.548) 8.621 12.812 ( 0.000 10.121 4.996) 11.287 12.873 ( 0.000 4.051 1.905) 4.476 13.009 ( 0.000 8.071 -0.364) 8.079 13.029 ( 0.000 -2.259 -2.358) 3.266 13.209 ( 0.000 -0.469 -4.001) 4.028 13.249 ( 0.000 -5.579 -0.100) 5.580 13.426 ( 0.000 2.921 1.023) 3.095 13.474 ( 0.000 3.536 -1.671) 3.911 13.539 ( 0.000 6.745 0.970) 6.814 13.659 ( 0.000 0.403 7.501) 7.512 13.682 ( 0.000 2.331 1.006) 2.539 13.760 ( 0.000 10.621 5.479) 11.951 13.795 ( 0.000 -2.268 3.597) 4.252 13.941 ( 0.000 -3.221 -1.742) 3.662 13.974 ( 0.000 3.350 -4.776) 5.833 14.110 ( 0.000 -1.875 -10.843) 11.004 14.183 ( 0.000 4.469 -8.944) 9.999 14.249 ( 0.000 3.393 -1.867) 3.873 14.535 ( 0.000 -2.025 5.345) 5.715 14.563 ( 0.000 -1.851 -9.794) 9.967 14.676 ( 0.000 -1.165 -1.695) 2.057 14.735 ( 0.000 0.306 8.176) 8.182 14.765 ( 0.000 0.074 1.494) 1.495 14.818 ( 0.000 1.753 3.493) 3.909 14.888 ( 0.000 -1.930 1.851) 2.674 14.961 ( 0.000 -14.324 1.413) 14.394 15.149 ( 0.000 8.470 0.396) 8.479 15.353 ( 0.000 -1.201 -5.899) 6.020 15.468 ( 0.000 6.098 -11.263) 12.808 15.499 ( 0.000 8.571 -9.037) 12.455 15.605 ( 0.000 -1.671 -0.060) 1.672 15.732 ( 0.000 -8.012 1.487) 8.149 15.794 ( 0.000 5.613 4.842) 7.413 15.926 ( 0.000 -4.353 1.671) 4.663 15.989 ( 0.000 16.433 -0.796) 16.452 16.028 ( 0.000 -1.659 4.310) 4.619 16.285 ( 0.000 -6.320 1.500) 6.496 16.309 ( 0.000 12.073 -3.268) 12.508 16.577 ( 0.000 -7.440 15.901) 17.555 16.709 ( 0.000 1.790 -6.169) 6.423 16.859 ( 0.000 -11.662 6.608) 13.404 16.860 ( 0.000 -2.112 -1.804) 2.778 17.042 ( 0.000 4.851 -1.888) 5.205 17.108 ( 0.000 0.766 5.409) 5.463 17.157 ( 0.000 1.470 -2.635) 3.017 17.166 ( 0.000 -0.590 -3.215) 3.268 17.240 ( 0.000 -1.497 4.797) 5.025 17.258 ( 0.000 2.191 1.840) 2.861 17.273 ( 0.000 -0.775 -5.777) 5.829 17.435 ( 0.000 -3.662 3.824) 5.295 17.577 ( 0.000 1.918 1.712) 2.571 17.589 ( 0.000 1.931 2.520) 3.175 17.632 ( 0.000 -0.294 4.369) 4.378 17.807 ( 0.000 -6.252 -0.387) 6.264 17.994 ( 0.000 1.504 -8.972) 9.097 17.996 ( 0.000 4.680 -2.500) 5.305 18.095 ( 0.000 12.174 -5.161) 13.223 18.434 ( 0.000 -4.176 -3.064) 5.180 18.579 ( 0.000 -0.044 -5.304) 5.304 18.582 ( 0.000 -0.197 -4.168) 4.173 19.801 ( 0.000 0.500 2.675) 2.721 19.864 ( 0.000 -2.827 2.090) 3.516 20.116 ( 0.000 -0.920 28.338) 28.353 20.278 ( 0.000 -12.229 13.687) 18.354 21.390 ( 0.000 14.735 -13.598) 20.051 22.024 ( 0.000 -18.265 0.972) 18.290 23.799 ( 0.000 3.803 -5.111) 6.371 23.849 ( 0.000 -0.315 -3.707) 3.720 23.901 ( 0.000 0.088 0.229) 0.245 23.903 ( 0.000 0.047 0.132) 0.140 24.581 ( 0.000 0.369 2.453) 2.480 24.604 ( 0.000 -0.825 3.020) 3.131 24.723 ( 0.000 0.048 0.519) 0.522 24.727 ( 0.000 -0.137 -0.383) 0.407 24.853 ( 0.000 1.528 -0.939) 1.794 24.923 ( 0.000 -1.503 -1.519) 2.137 24.954 ( 0.000 0.566 0.139) 0.583 24.985 ( 0.000 -0.928 -0.686) 1.154 25.516 ( 0.000 5.011 1.673) 5.282 25.744 ( 0.000 0.173 3.212) 3.217 26.065 ( 0.000 -4.213 -9.686) 10.562 26.284 ( 0.000 -6.270 -4.011) 7.443 26.597 ( 0.000 6.759 3.919) 7.813 26.615 ( 0.000 2.204 3.674) 4.284 27.391 ( 0.000 0.092 -2.907) 2.908 27.411 ( 0.000 -1.333 -2.193) 2.566 29.185 ( 0.000 2.655 5.119) 5.767 29.376 ( 0.000 -5.811 1.842) 6.096 29.687 ( 0.000 -8.038 14.024) 16.164 29.709 ( 0.000 -2.360 4.329) 4.930 29.977 ( 0.000 0.171 0.660) 0.681 29.999 ( 0.000 -1.844 0.254) 1.861 30.153 ( 0.000 -0.147 -1.383) 1.390 30.158 ( 0.000 -0.159 -2.361) 2.366 35.460 ( 0.000 6.212 -4.998) 7.973 35.530 ( 0.000 0.656 -0.934) 1.141 35.542 ( 0.000 -0.909 -1.801) 2.017 35.560 ( 0.000 -0.168 -1.969) 1.976 97.502 ( 0.000 0.348 4.338) 4.352 97.591 ( 0.000 -7.443 8.330) 11.171 97.805 ( 0.000 0.281 -0.874) 0.918 97.815 ( 0.000 -0.188 -0.526) 0.559 100.305 ( 0.000 13.487 -14.273) 19.637 100.340 ( 0.000 1.493 -3.453) 3.762 100.503 ( 0.000 3.392 -2.096) 3.987 100.667 ( 0.000 -1.990 -4.950) 5.335 ======================= Grid point 67 (26/72) ======================= q-point: ( 0.10 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.706 ( 32.966 27.433 29.341) 51.964 1.756 ( 28.212 35.157 27.699) 52.907 2.833 ( 48.997 46.863 49.315) 83.838 3.036 ( 19.629 -40.994 16.154) 48.237 3.159 ( 19.690 -40.508 21.361) 49.849 4.430 ( 8.588 30.402 6.962) 32.350 4.488 ( 15.377 30.239 2.387) 34.008 4.782 ( 11.250 -1.005 -28.485) 30.642 4.802 ( 1.796 -0.686 -12.690) 12.835 4.862 ( 1.802 9.639 -29.171) 30.775 5.207 ( 8.596 -46.561 -1.592) 47.374 5.451 ( 6.092 -25.391 -12.245) 28.840 5.612 ( 8.525 -17.740 -0.438) 19.687 5.726 ( 10.461 -19.058 10.269) 24.044 5.911 ( -1.529 -1.628 3.585) 4.224 6.002 ( -3.029 3.666 -3.293) 5.784 6.116 ( -7.667 -7.068 15.550) 18.723 6.182 ( -3.147 7.971 -0.131) 8.570 6.288 ( -2.786 -4.835 1.066) 5.681 6.371 ( 0.695 3.124 3.417) 4.682 6.494 ( -0.079 -4.766 9.265) 10.420 6.688 ( -2.943 -5.697 8.297) 10.486 6.770 ( -6.072 6.869 3.760) 9.909 6.930 ( -6.220 1.203 3.921) 7.451 6.971 ( 2.246 5.249 3.320) 6.605 7.031 ( -2.158 3.241 3.637) 5.328 7.121 ( 0.258 1.517 -0.973) 1.820 7.215 ( -2.580 6.973 4.115) 8.498 7.337 ( -0.402 1.870 -2.650) 3.268 7.394 ( -7.720 -1.715 5.501) 9.633 7.451 ( -5.716 -2.275 2.337) 6.581 7.481 ( -4.909 5.428 3.819) 8.255 7.555 ( -6.240 2.027 -4.191) 7.785 7.600 ( -3.551 5.638 -2.471) 7.106 7.722 ( -0.971 7.918 4.083) 8.962 7.825 ( -1.493 8.499 5.413) 10.186 7.856 ( 1.084 1.232 4.255) 4.561 7.948 ( 3.078 8.444 8.128) 12.118 8.013 ( 3.199 1.317 -3.036) 4.603 8.031 ( 9.293 4.800 -15.596) 18.779 8.122 ( 2.300 8.904 -1.837) 9.378 8.186 ( -3.912 3.355 0.972) 5.245 8.251 ( 0.427 0.196 0.682) 0.828 8.296 ( -2.863 -5.981 -2.328) 7.028 8.322 ( -1.690 -0.621 0.680) 1.925 8.379 ( -2.827 -2.740 0.112) 3.938 8.499 ( 5.192 -1.474 -9.198) 10.664 8.580 ( -6.489 6.081 1.460) 9.012 8.621 ( 0.042 2.319 -6.979) 7.354 8.697 ( 10.185 -8.120 -8.429) 15.516 8.736 ( 1.925 1.449 0.714) 2.513 8.924 ( 3.401 0.767 1.198) 3.687 9.053 ( 2.168 -4.185 -3.347) 5.781 9.103 ( 1.274 -0.629 -8.146) 8.269 9.143 ( -2.116 -5.494 -9.584) 11.248 9.313 ( -6.298 4.934 -3.844) 8.876 9.388 ( -3.385 1.203 -2.092) 4.157 9.563 ( 2.923 -0.383 -6.538) 7.172 9.633 ( 6.275 1.389 -2.957) 7.074 9.756 ( 0.059 1.741 4.293) 4.633 9.785 ( -6.799 -4.491 -7.461) 11.048 9.844 ( -1.035 -0.536 5.035) 5.168 9.935 ( -5.310 -1.762 0.088) 5.595 9.947 ( -3.357 -1.858 -1.425) 4.093 10.023 ( -5.473 0.649 -10.654) 11.995 10.104 ( 0.584 -3.711 -2.631) 4.586 10.124 ( -9.223 -1.602 1.121) 9.428 10.189 ( -6.031 2.396 -2.331) 6.895 10.230 ( -0.516 -4.491 -1.551) 4.779 10.238 ( 1.287 3.600 -5.414) 6.627 10.309 ( 3.111 -1.793 5.660) 6.703 10.401 ( -3.621 -0.251 -3.437) 4.999 10.466 ( -2.724 0.050 -0.680) 2.808 10.500 ( -6.351 -5.164 -0.269) 8.190 10.521 ( -6.885 -3.806 -1.238) 7.964 10.562 ( -6.020 -2.118 -5.227) 8.249 10.654 ( -0.435 0.245 -2.838) 2.882 10.673 ( -4.118 -2.461 2.144) 5.255 10.765 ( -2.313 2.470 2.492) 4.202 10.881 ( -0.278 2.140 6.386) 6.741 10.914 ( 3.984 2.386 -1.961) 5.041 10.969 ( -1.608 2.431 0.316) 2.932 11.019 ( 2.467 -0.499 -4.070) 4.786 11.044 ( -5.243 3.351 -1.391) 6.376 11.112 ( -2.873 1.683 2.445) 4.131 11.229 ( -2.257 -2.934 0.226) 3.709 11.327 ( -6.649 0.300 -4.294) 7.921 11.417 ( 0.226 -3.403 -3.929) 5.202 11.570 ( -1.313 -0.135 4.457) 4.648 11.621 ( 0.568 3.284 0.333) 3.350 11.711 ( 1.804 2.857 3.123) 4.601 11.750 ( 6.749 0.431 -9.539) 11.693 11.846 ( 0.738 -6.845 6.547) 9.501 11.920 ( -7.998 -4.380 9.402) 13.097 12.139 ( 10.145 4.046 -2.944) 11.312 12.205 ( 0.709 0.129 -1.086) 1.303 12.249 ( 6.831 0.066 -1.094) 6.918 12.306 ( 4.985 1.114 -3.079) 5.964 12.379 ( 7.778 -3.104 1.033) 8.438 12.411 ( 2.732 -1.011 0.076) 2.914 12.515 ( -0.259 -7.960 2.946) 8.491 12.570 ( 4.708 -6.475 1.642) 8.172 12.684 ( 6.719 -2.413 6.191) 9.450 12.739 ( 1.123 -3.531 5.069) 6.279 12.808 ( -1.173 7.659 0.735) 7.783 12.864 ( -4.694 4.653 3.481) 7.470 12.970 ( -1.064 1.361 3.322) 3.744 13.042 ( -4.058 -3.088 4.680) 6.922 13.153 ( 7.025 2.064 -5.838) 9.365 13.195 ( -6.785 6.412 -0.543) 9.351 13.327 ( -4.689 8.280 0.573) 9.533 13.441 ( -4.389 1.922 0.128) 4.792 13.601 ( -4.279 1.834 6.139) 7.704 13.657 ( 3.227 2.115 0.107) 3.860 13.680 ( 1.685 0.118 0.794) 1.866 13.768 ( -1.695 -1.122 -0.125) 2.037 13.838 ( 5.547 3.576 1.779) 6.835 13.935 ( -0.260 -2.661 -1.983) 3.329 13.948 ( 0.078 3.756 -4.006) 5.492 14.143 ( 1.405 -2.676 -6.815) 7.455 14.174 ( -0.003 1.693 -4.447) 4.758 14.214 ( -0.509 5.386 -2.933) 6.154 14.363 ( -12.806 -2.132 3.645) 13.485 14.535 ( -14.590 -1.462 3.842) 15.158 14.634 ( -0.885 -2.547 -4.043) 4.859 14.707 ( -4.287 -0.849 0.365) 4.385 14.730 ( -4.487 1.042 0.422) 4.626 14.750 ( 0.708 0.172 0.139) 0.741 14.898 ( 3.743 0.044 2.520) 4.512 15.078 ( -1.394 -3.645 5.212) 6.511 15.244 ( -1.598 -0.734 0.615) 1.863 15.254 ( -1.348 -1.138 -5.850) 6.110 15.417 ( -3.976 1.383 -8.852) 9.802 15.514 ( 2.035 0.125 -7.168) 7.452 15.662 ( 7.505 -3.404 0.876) 8.287 15.728 ( 2.907 -5.317 1.917) 6.356 15.830 ( 3.155 2.414 3.025) 4.994 15.896 ( -2.897 4.032 2.929) 5.765 15.957 ( 0.681 -1.350 0.351) 1.552 16.191 ( 4.592 -5.347 -0.050) 7.049 16.255 ( -2.715 6.178 -4.504) 8.113 16.345 ( 5.766 5.877 -4.912) 9.587 16.565 ( -3.097 -7.127 7.300) 10.662 16.646 ( -4.979 0.854 -5.040) 7.136 16.805 ( -2.817 -3.873 5.852) 7.562 16.935 ( -1.110 3.378 -1.561) 3.884 16.965 ( 6.176 -4.289 -0.847) 7.567 17.040 ( -5.421 1.781 0.395) 5.719 17.152 ( 1.897 -1.380 -2.148) 3.181 17.184 ( -1.539 -5.926 4.166) 7.406 17.314 ( 4.179 3.428 -2.723) 6.053 17.332 ( 6.591 -0.155 2.871) 7.191 17.409 ( 8.178 1.673 0.124) 8.348 17.468 ( 2.458 -0.431 4.480) 5.128 17.539 ( -1.758 4.675 4.334) 6.613 17.649 ( 4.281 1.650 -0.880) 4.671 17.655 ( 1.336 -1.653 4.310) 4.806 17.775 ( -1.553 -1.382 2.048) 2.918 17.917 ( -3.673 -2.028 -3.923) 5.744 17.926 ( -3.871 2.482 1.630) 4.879 18.147 ( 2.905 9.519 -4.589) 10.960 18.458 ( -2.135 -3.894 -4.478) 6.307 18.824 ( 21.984 -1.666 -10.115) 24.257 18.842 ( 22.009 -1.763 -9.920) 24.206 19.805 ( 0.407 0.668 2.427) 2.550 19.874 ( 0.891 -2.745 1.673) 3.336 20.096 ( -1.809 -0.318 24.832) 24.900 20.243 ( -3.224 -11.193 13.859) 18.104 21.193 ( -21.722 15.877 -5.970) 27.560 21.483 ( -27.789 2.778 3.597) 28.158 23.687 ( -6.076 1.260 -0.250) 6.210 23.739 ( -8.974 -1.026 -1.994) 9.250 23.885 ( -2.812 0.330 0.065) 2.832 23.902 ( -3.307 -0.352 -0.798) 3.420 24.601 ( 1.360 0.056 2.378) 2.740 24.604 ( 0.889 -0.081 3.129) 3.254 24.817 ( 4.753 0.554 -1.383) 4.981 24.878 ( 2.947 1.054 0.433) 3.159 24.899 ( 0.918 -2.997 -2.507) 4.014 24.949 ( 3.388 -2.772 -0.096) 4.378 25.098 ( 12.312 2.732 -1.246) 12.673 25.312 ( 28.148 -11.574 -12.072) 32.741 25.522 ( 0.691 4.829 1.738) 5.179 25.762 ( 2.367 -0.925 2.811) 3.790 26.065 ( 0.189 -3.307 -9.728) 10.276 26.279 ( -0.049 -5.644 -3.133) 6.455 26.553 ( -4.074 4.397 2.422) 6.465 26.606 ( -1.432 2.850 6.631) 7.358 27.259 ( -11.913 3.146 1.665) 12.433 27.347 ( -4.274 -1.316 -3.285) 5.549 29.191 ( 0.652 2.336 4.547) 5.153 29.353 ( -1.838 -5.892 3.784) 7.240 29.569 ( -6.782 1.927 9.103) 11.514 29.675 ( -3.233 -2.384 3.205) 5.138 29.953 ( 4.541 2.899 2.498) 5.938 30.017 ( 4.475 -0.629 1.320) 4.708 30.255 ( 9.190 2.338 -2.538) 9.817 30.487 ( 16.048 -11.373 -9.941) 22.039 35.407 ( -3.791 5.325 -1.421) 6.689 35.503 ( -2.634 -0.519 -1.044) 2.881 35.520 ( -2.599 -0.034 -1.444) 2.974 35.539 ( -1.973 -0.413 -2.198) 2.982 97.504 ( 0.232 0.254 3.987) 4.002 97.552 ( -2.374 -3.055 7.362) 8.317 97.789 ( -1.431 0.416 -0.986) 1.787 97.804 ( -1.149 -0.248 -0.651) 1.344 100.165 ( -5.934 10.809 -2.613) 12.604 100.367 ( -1.836 -1.598 -4.998) 5.560 100.519 ( 0.331 2.757 -3.457) 4.434 100.620 ( -4.452 -1.065 -3.990) 6.072 ======================= Grid point 68 (27/72) ======================= q-point: ( 0.20 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.414 ( 38.108 26.042 18.491) 49.722 2.473 ( 42.180 19.724 21.640) 51.347 3.496 ( 26.889 -32.457 16.972) 45.437 3.649 ( 28.568 -34.617 10.110) 46.007 4.006 ( 64.076 25.500 29.379) 74.961 4.594 ( 7.763 18.542 -2.685) 20.280 4.780 ( 6.799 10.529 -12.115) 17.431 4.875 ( 10.208 7.326 -8.693) 15.279 5.054 ( 17.541 8.187 -24.156) 30.955 5.086 ( 19.234 21.668 -2.884) 29.117 5.332 ( 5.665 -11.639 -16.282) 20.801 5.720 ( 11.628 -22.883 0.850) 25.682 5.739 ( 4.801 -14.303 13.952) 20.549 5.862 ( 1.894 -14.420 7.318) 16.281 5.927 ( -4.040 -1.391 5.154) 6.695 5.994 ( 5.072 -9.823 6.251) 12.700 6.082 ( 5.972 -8.989 1.415) 10.885 6.151 ( 11.753 -12.610 2.702) 17.449 6.183 ( -6.038 2.258 9.392) 11.391 6.386 ( 0.418 2.565 4.390) 5.101 6.459 ( -2.753 -1.201 7.413) 7.998 6.613 ( -6.695 -2.779 4.510) 8.537 6.655 ( -4.388 4.154 4.855) 7.751 6.834 ( -3.124 -1.459 2.400) 4.201 6.909 ( -7.494 1.353 1.455) 7.753 6.999 ( -5.299 1.108 3.367) 6.375 7.047 ( -10.277 7.179 0.705) 12.556 7.111 ( -6.705 2.107 10.401) 12.553 7.190 ( -3.867 2.246 8.804) 9.875 7.306 ( -5.291 -11.068 -2.819) 12.588 7.320 ( -12.982 -2.608 3.233) 13.630 7.421 ( 1.637 -0.872 0.847) 2.039 7.470 ( -3.027 0.712 -1.585) 3.490 7.511 ( -1.271 -3.080 -3.249) 4.654 7.685 ( -2.640 5.499 2.899) 6.754 7.783 ( -3.680 3.201 -4.976) 6.968 7.813 ( -5.494 5.315 3.382) 8.358 7.921 ( -6.292 4.270 -10.027) 12.584 8.026 ( -2.814 7.168 -1.933) 7.939 8.062 ( -3.937 6.496 2.280) 7.931 8.130 ( -6.286 2.704 0.535) 6.864 8.165 ( -4.384 2.487 5.228) 7.262 8.218 ( 0.475 4.883 6.721) 8.321 8.259 ( 1.474 7.631 -2.220) 8.083 8.331 ( 6.523 6.650 -17.293) 19.642 8.386 ( -0.576 2.925 -4.325) 5.253 8.498 ( -2.037 -4.500 -2.356) 5.472 8.548 ( 0.410 6.396 -2.431) 6.855 8.690 ( -3.487 -6.979 4.646) 9.081 8.717 ( 6.649 3.627 -12.824) 14.893 8.911 ( 1.907 -7.666 -7.092) 10.616 8.924 ( 1.004 6.836 -3.557) 7.771 9.031 ( 0.153 3.190 -1.932) 3.732 9.084 ( -0.643 -4.176 -3.803) 5.684 9.193 ( 0.787 -0.462 -4.439) 4.532 9.270 ( 0.998 -5.197 -1.890) 5.619 9.315 ( 0.256 -2.810 1.041) 3.007 9.495 ( -10.304 -0.659 -1.275) 10.403 9.591 ( -14.189 -2.199 -1.633) 14.451 9.654 ( -7.506 -3.762 -4.174) 9.377 9.713 ( -5.555 6.692 -1.281) 8.791 9.786 ( -4.193 1.304 0.477) 4.417 9.812 ( -4.174 -2.968 -1.494) 5.335 9.850 ( 1.474 -2.097 -1.959) 3.226 9.968 ( -4.818 5.146 -3.145) 7.719 9.998 ( -0.531 2.754 -11.661) 11.994 10.084 ( -7.155 -4.443 -9.471) 12.674 10.122 ( -0.207 1.559 -4.474) 4.742 10.231 ( -1.744 0.728 -0.020) 1.890 10.276 ( 0.028 -0.451 -1.260) 1.338 10.300 ( 0.516 -0.859 -2.746) 2.923 10.346 ( -3.930 0.566 4.337) 5.880 10.356 ( -0.815 0.167 2.073) 2.234 10.424 ( -4.975 -2.500 -0.102) 5.569 10.452 ( -2.242 -1.095 -6.203) 6.686 10.474 ( -4.206 -4.112 -6.993) 9.138 10.507 ( -4.033 -3.201 0.458) 5.169 10.654 ( -2.619 -3.879 -0.912) 4.768 10.732 ( 1.355 4.362 -3.949) 6.038 10.839 ( -7.660 3.657 0.379) 8.497 10.921 ( 0.953 -0.322 1.931) 2.177 10.957 ( -3.374 -0.788 -1.133) 3.645 10.991 ( 3.611 -2.200 -1.846) 4.614 11.035 ( -1.541 0.013 -0.554) 1.637 11.127 ( 1.734 0.197 2.748) 3.255 11.182 ( 0.489 -2.525 3.952) 4.715 11.261 ( -1.438 0.160 3.639) 3.916 11.345 ( -5.744 -3.713 0.292) 6.846 11.491 ( -8.068 3.884 3.137) 9.488 11.571 ( -1.264 3.871 6.091) 7.327 11.684 ( 1.153 2.433 9.730) 10.096 11.852 ( 2.867 -3.499 1.124) 4.662 11.929 ( 8.038 0.944 -7.560) 11.075 12.018 ( 6.763 -4.338 -2.298) 8.357 12.140 ( -4.235 1.292 -3.336) 5.544 12.290 ( 6.134 0.463 -2.260) 6.553 12.331 ( 2.264 -0.556 -7.190) 7.558 12.423 ( 3.404 -6.571 0.040) 7.400 12.457 ( 1.280 -1.092 -1.146) 2.036 12.502 ( 3.039 -0.924 7.456) 8.104 12.550 ( -1.275 -4.005 -3.432) 5.426 12.662 ( 2.697 -0.746 6.110) 6.721 12.725 ( -0.034 0.854 0.830) 1.192 12.743 ( -3.188 3.938 6.646) 8.357 12.839 ( 3.409 -0.698 2.653) 4.376 12.866 ( 11.559 -1.001 4.729) 12.529 12.958 ( 0.462 2.433 -0.270) 2.491 13.022 ( -1.662 1.737 2.735) 3.641 13.110 ( -2.347 2.894 2.957) 4.757 13.189 ( -4.573 6.156 -2.419) 8.041 13.299 ( 0.903 -2.045 0.956) 2.431 13.381 ( -2.833 -1.567 -0.229) 3.246 13.501 ( -0.835 3.837 -0.372) 3.944 13.625 ( -2.338 -1.779 -1.267) 3.200 13.705 ( -2.956 1.195 -1.145) 3.388 13.793 ( 2.512 -4.169 -0.542) 4.897 13.863 ( -0.368 1.102 -0.273) 1.193 13.936 ( 0.198 4.373 1.309) 4.569 14.032 ( 4.120 0.178 -4.044) 5.776 14.142 ( -3.921 0.055 -2.200) 4.497 14.163 ( 0.622 0.157 -5.188) 5.227 14.206 ( -1.762 5.751 4.933) 7.779 14.212 ( 2.782 1.413 0.301) 3.135 14.320 ( -7.378 5.034 0.019) 8.932 14.494 ( -9.218 -7.001 2.116) 11.767 14.548 ( -11.338 -0.191 -2.077) 11.528 14.579 ( -6.233 4.575 -1.738) 7.925 14.760 ( -4.890 1.451 -2.336) 5.610 14.928 ( -0.849 3.338 0.687) 3.512 15.028 ( 0.974 -2.350 5.403) 5.971 15.097 ( -9.703 -4.909 -4.148) 11.639 15.223 ( 0.343 -1.224 3.864) 4.068 15.411 ( 0.738 -2.474 -4.967) 5.598 15.592 ( 5.606 -9.063 -0.426) 10.665 15.765 ( 0.538 0.510 1.051) 1.286 15.828 ( 3.194 1.451 1.614) 3.861 15.896 ( 1.679 1.185 2.793) 3.468 15.942 ( 3.010 2.647 0.662) 4.062 15.990 ( 8.317 0.845 -1.790) 8.549 16.156 ( -4.442 -8.597 1.151) 9.745 16.264 ( 4.029 3.418 -1.983) 5.643 16.441 ( -1.881 -3.502 -1.443) 4.229 16.472 ( -5.089 0.856 -4.330) 6.736 16.537 ( 0.413 -3.004 2.353) 3.838 16.796 ( 0.305 3.255 4.059) 5.212 16.961 ( -2.417 2.063 -0.789) 3.274 16.968 ( 2.947 -1.175 -2.962) 4.341 17.017 ( -1.027 -3.230 -0.500) 3.426 17.181 ( 1.683 -2.264 -4.049) 4.935 17.251 ( 5.532 -7.363 7.129) 11.646 17.318 ( -1.206 6.365 -1.584) 6.669 17.430 ( 2.005 0.212 2.116) 2.923 17.512 ( 4.931 1.403 4.681) 6.942 17.524 ( -0.091 4.549 6.343) 7.807 17.554 ( 3.885 0.101 1.613) 4.207 17.667 ( 1.403 -1.414 2.566) 3.248 17.727 ( 1.574 1.360 -0.132) 2.085 17.787 ( 2.302 1.507 3.255) 4.262 17.837 ( -3.895 0.033 0.729) 3.963 17.903 ( 0.296 -2.905 1.343) 3.215 18.202 ( 3.384 6.678 -3.525) 8.275 18.424 ( -0.961 -2.575 -4.248) 5.059 19.202 ( 15.795 -0.176 -5.667) 16.781 19.274 ( 17.231 -4.953 -14.153) 22.841 19.816 ( 0.639 1.172 1.726) 2.183 19.893 ( 0.829 -2.468 0.709) 2.698 20.059 ( -1.588 0.454 17.168) 17.247 20.170 ( -4.043 -8.015 13.605) 16.300 20.769 ( -14.385 19.594 -1.904) 24.382 21.155 ( -10.716 -2.384 -9.832) 14.738 23.571 ( -6.750 0.034 0.064) 6.750 23.582 ( -5.058 -0.202 0.181) 5.065 23.792 ( -6.364 0.042 0.050) 6.365 23.798 ( -6.416 0.045 -0.056) 6.416 24.618 ( 0.974 0.707 2.492) 2.767 24.652 ( 3.191 -0.786 1.969) 3.831 24.867 ( 0.960 0.468 -1.889) 2.170 24.886 ( 0.120 -0.191 -2.052) 2.064 24.946 ( 2.502 0.101 1.100) 2.735 25.022 ( 3.217 -3.118 -0.880) 4.565 25.395 ( 14.864 4.215 -0.532) 15.459 25.542 ( 1.630 4.380 1.694) 4.971 25.607 ( 4.382 -5.718 -4.321) 8.401 25.844 ( 3.562 -7.379 0.139) 8.195 26.087 ( 2.334 0.220 -9.236) 9.529 26.308 ( 3.284 -3.915 -0.707) 5.158 26.442 ( -7.074 3.617 3.536) 8.696 26.560 ( -2.757 0.984 7.942) 8.464 27.051 ( -8.226 4.717 -0.125) 9.483 27.238 ( -6.541 -3.444 -4.270) 8.537 29.213 ( 1.571 1.751 3.334) 4.081 29.326 ( -0.691 -4.264 3.715) 5.698 29.481 ( -3.007 4.003 2.286) 5.504 29.596 ( -4.440 -2.015 1.100) 4.998 30.111 ( 10.443 1.327 3.142) 10.986 30.152 ( 9.109 -0.590 2.118) 9.371 30.453 ( 9.914 3.852 -3.210) 11.110 30.708 ( 7.531 -8.205 -9.370) 14.555 35.341 ( -2.921 3.035 0.245) 4.219 35.428 ( -4.455 -1.311 -0.710) 4.697 35.461 ( -3.367 0.542 -1.004) 3.556 35.483 ( -3.588 -0.470 -1.826) 4.053 97.513 ( 0.678 0.162 3.205) 3.280 97.529 ( -0.047 -0.650 4.614) 4.660 97.753 ( -2.204 0.451 -0.951) 2.443 97.772 ( -2.074 -0.355 -0.800) 2.251 100.103 ( -0.968 6.030 0.439) 6.123 100.310 ( -3.210 -4.010 -2.508) 5.717 100.494 ( -2.922 1.128 -2.845) 4.231 100.517 ( -5.416 0.792 -2.184) 5.893 ======================= Grid point 69 (28/72) ======================= q-point: ( 0.30 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.201 ( 41.671 17.470 12.393) 46.854 3.301 ( 41.626 14.116 18.071) 47.524 4.035 ( 27.401 -24.807 14.582) 39.734 4.217 ( 28.856 -28.262 5.392) 40.749 4.725 ( 6.572 7.394 -5.873) 11.505 4.853 ( 2.440 0.105 -2.167) 3.265 5.045 ( 23.817 15.744 5.940) 29.162 5.209 ( 28.155 12.173 5.749) 31.208 5.364 ( 14.069 -5.858 -16.415) 22.399 5.395 ( 9.495 12.616 -2.455) 15.979 5.622 ( 22.241 12.392 -0.719) 25.470 5.753 ( 0.877 1.206 4.289) 4.541 5.789 ( -2.865 2.050 4.125) 5.425 5.813 ( 1.302 -8.183 6.307) 10.414 5.917 ( -0.551 -1.526 7.395) 7.570 6.009 ( -2.818 4.199 3.173) 5.970 6.053 ( -0.019 6.228 1.795) 6.482 6.247 ( -6.345 -2.917 -0.157) 6.985 6.348 ( -6.838 1.222 -3.272) 7.679 6.419 ( 0.772 -3.796 5.268) 6.539 6.457 ( 3.266 -11.741 0.300) 12.191 6.586 ( 0.264 -0.457 0.063) 0.531 6.676 ( 2.389 -5.764 6.453) 8.976 6.759 ( 13.257 -17.197 2.743) 21.887 6.788 ( -6.676 1.973 7.012) 9.881 6.824 ( 4.207 -12.553 10.463) 16.875 6.957 ( -1.989 0.842 3.987) 4.534 7.011 ( -12.139 -5.794 -2.523) 13.686 7.098 ( -5.286 -6.290 5.979) 10.161 7.127 ( -3.595 2.468 1.986) 4.792 7.232 ( 9.483 -4.858 7.852) 13.236 7.361 ( -4.358 -6.712 -1.193) 8.091 7.469 ( -2.258 5.568 -5.794) 8.347 7.557 ( -11.066 -9.078 0.041) 14.313 7.566 ( 3.163 -7.337 0.243) 7.994 7.665 ( -6.157 6.144 -5.310) 10.191 7.715 ( -6.241 6.890 1.116) 9.363 7.771 ( -5.919 6.748 -4.141) 9.885 7.899 ( -4.771 4.564 -3.600) 7.520 7.949 ( -8.026 0.858 3.665) 8.865 8.011 ( -5.514 5.669 -0.323) 7.915 8.074 ( -9.536 9.142 -2.401) 13.426 8.103 ( -8.453 5.034 3.526) 10.452 8.267 ( -8.885 2.954 -7.690) 12.116 8.349 ( 5.942 8.024 -1.113) 10.046 8.447 ( 4.266 4.321 2.206) 6.460 8.536 ( 2.503 11.464 8.393) 14.427 8.584 ( 1.081 -2.967 -0.932) 3.293 8.604 ( -1.986 -9.064 -4.727) 10.414 8.708 ( 0.941 4.455 -4.057) 6.098 8.787 ( -11.472 -4.256 -9.105) 15.252 8.994 ( -5.238 3.623 4.989) 8.091 9.016 ( -9.821 0.035 3.346) 10.376 9.068 ( -5.377 2.513 -3.468) 6.874 9.151 ( 1.460 0.991 -8.127) 8.317 9.248 ( -2.246 -4.379 -4.003) 6.344 9.319 ( -0.963 -6.057 4.243) 7.458 9.367 ( -0.879 -0.522 0.051) 1.023 9.436 ( 9.494 -3.929 -0.280) 10.279 9.534 ( -4.591 0.527 -4.271) 6.293 9.640 ( -1.726 2.227 -8.672) 9.119 9.698 ( -3.318 1.852 -2.780) 4.707 9.761 ( -2.300 -4.437 -7.846) 9.302 9.797 ( -6.663 -2.974 -6.040) 9.472 9.905 ( -6.188 0.425 -1.632) 6.414 9.952 ( -4.376 -0.907 -7.793) 8.984 9.968 ( -3.033 1.474 -6.896) 7.676 10.038 ( -9.133 1.829 -3.234) 9.860 10.196 ( -0.607 0.475 2.744) 2.851 10.213 ( -6.897 -0.519 1.551) 7.088 10.251 ( -5.579 4.640 0.103) 7.257 10.281 ( -1.934 0.753 2.686) 3.395 10.307 ( 0.107 0.819 -3.868) 3.955 10.371 ( 1.194 0.159 -2.966) 3.202 10.458 ( 2.057 6.532 -4.081) 7.971 10.499 ( 3.272 -1.574 -4.854) 6.061 10.576 ( -0.853 -5.819 -3.442) 6.815 10.585 ( 1.599 -5.033 -3.729) 6.465 10.684 ( -6.513 0.593 -2.691) 7.072 10.756 ( 1.520 -1.350 -1.930) 2.804 10.866 ( -4.482 3.455 0.274) 5.666 10.926 ( -4.443 0.499 -0.888) 4.558 11.008 ( 0.016 -2.458 -0.249) 2.470 11.081 ( 5.347 -0.177 -0.743) 5.401 11.144 ( 3.233 -5.629 4.504) 7.900 11.172 ( -1.989 -1.327 -1.228) 2.688 11.262 ( 3.174 0.943 4.335) 5.455 11.328 ( -0.133 -0.511 5.491) 5.517 11.382 ( -0.902 2.241 9.094) 9.409 11.528 ( -2.359 1.404 3.224) 4.235 11.726 ( -0.174 3.674 4.876) 6.108 11.828 ( -6.133 1.070 3.632) 7.208 12.017 ( -0.700 -0.755 -0.542) 1.163 12.079 ( 1.781 2.404 -0.516) 3.036 12.138 ( 4.418 -5.101 -5.329) 8.599 12.300 ( -5.339 -7.285 -4.796) 10.227 12.400 ( 0.613 0.675 3.339) 3.461 12.427 ( -0.870 -3.377 -5.727) 6.705 12.459 ( -0.424 -1.684 -1.700) 2.430 12.478 ( 1.979 -3.376 -3.603) 5.319 12.595 ( -3.418 6.228 -2.043) 7.392 12.638 ( -0.539 4.571 2.797) 5.386 12.726 ( 4.842 2.806 -0.189) 5.599 12.765 ( -11.669 1.660 -0.041) 11.787 12.832 ( 2.360 -4.539 3.794) 6.369 12.904 ( -5.361 0.484 -4.879) 7.265 12.929 ( -1.498 2.162 -1.560) 3.058 13.049 ( 5.133 -0.028 3.388) 6.151 13.071 ( -1.607 0.140 3.499) 3.853 13.175 ( 7.834 -6.797 0.705) 10.396 13.273 ( -0.179 3.140 1.033) 3.310 13.439 ( 6.601 -4.000 -4.171) 8.773 13.568 ( -1.262 -1.937 -2.398) 3.331 13.580 ( 2.335 -2.757 -0.850) 3.712 13.692 ( 1.084 0.089 -1.174) 1.600 13.769 ( -1.697 -2.873 1.051) 3.498 13.881 ( 1.647 8.293 -1.611) 8.607 13.944 ( 1.472 4.056 -1.240) 4.489 14.027 ( -11.190 7.932 0.545) 13.727 14.067 ( -1.666 3.679 0.502) 4.069 14.136 ( 1.691 0.871 0.836) 2.077 14.213 ( -4.372 -0.505 -5.179) 6.796 14.242 ( 2.470 4.794 -1.204) 5.526 14.265 ( -4.975 -0.216 5.696) 7.566 14.329 ( 1.118 3.025 -3.257) 4.583 14.443 ( -1.010 -6.128 0.516) 6.232 14.519 ( 0.849 3.358 2.479) 4.260 14.680 ( -0.286 3.614 -4.475) 5.759 14.816 ( -10.214 -3.196 -6.094) 12.316 15.024 ( 0.837 -8.352 1.834) 8.592 15.092 ( 5.347 -3.451 7.129) 9.556 15.249 ( 1.565 -3.286 8.588) 9.328 15.437 ( 2.827 5.239 -0.444) 5.969 15.630 ( -5.858 3.921 -5.261) 8.796 15.778 ( 3.284 -5.865 1.867) 6.976 15.848 ( 0.798 2.284 -0.568) 2.485 15.875 ( -0.620 -0.990 -0.664) 1.344 15.963 ( -1.465 -0.292 3.187) 3.520 16.056 ( -7.045 -4.786 5.089) 9.921 16.118 ( -1.349 -5.680 1.302) 5.981 16.289 ( 0.028 5.435 -2.614) 6.031 16.400 ( 7.096 -1.138 -0.693) 7.220 16.552 ( 5.548 -0.598 5.678) 7.961 16.578 ( 3.037 -1.701 3.748) 5.115 16.793 ( -0.175 4.768 1.829) 5.110 16.918 ( -2.292 0.240 -1.670) 2.846 16.981 ( -1.821 -3.423 -4.783) 6.157 17.035 ( 2.525 -3.924 -4.093) 6.207 17.165 ( -1.871 2.930 1.178) 3.671 17.295 ( -0.760 -0.681 8.396) 8.458 17.374 ( 5.216 -1.563 -3.322) 6.378 17.464 ( 2.184 1.207 0.291) 2.512 17.526 ( 1.068 2.955 7.445) 8.081 17.596 ( 3.278 0.175 3.947) 5.134 17.609 ( 2.111 -0.601 1.858) 2.876 17.695 ( 0.650 -2.306 2.558) 3.505 17.715 ( -1.922 2.067 0.047) 2.823 17.773 ( -2.299 0.089 3.593) 4.267 17.828 ( 1.245 2.652 3.610) 4.650 17.906 ( -0.517 -0.801 2.129) 2.333 18.296 ( 6.129 2.817 -3.273) 7.497 18.432 ( 1.876 -2.143 -3.858) 4.795 19.363 ( 0.553 0.793 -3.768) 3.890 19.450 ( 0.118 -4.286 -8.313) 9.353 19.829 ( 0.980 1.077 0.562) 1.561 19.896 ( -0.469 -1.840 -0.145) 1.905 20.048 ( 0.498 0.352 10.488) 10.506 20.095 ( -2.693 -2.199 10.575) 11.132 20.691 ( 4.822 12.085 -9.015) 15.829 21.026 ( -2.800 -4.247 -12.765) 13.741 23.472 ( -3.275 0.839 0.902) 3.499 23.509 ( -2.676 -0.673 0.463) 2.798 23.663 ( -6.234 0.150 0.185) 6.238 23.669 ( -6.397 0.026 0.169) 6.400 24.641 ( 1.413 1.252 1.954) 2.717 24.718 ( 3.057 -2.597 0.947) 4.122 24.857 ( -0.380 2.642 -1.360) 2.996 24.922 ( 2.271 -0.201 -2.423) 3.327 24.984 ( 1.462 0.348 0.671) 1.646 25.061 ( 0.750 -1.885 -1.505) 2.526 25.557 ( 2.338 1.726 0.687) 2.987 25.630 ( 5.991 1.640 0.782) 6.260 25.639 ( 0.863 -2.354 -0.778) 2.625 25.849 ( -1.994 -6.745 -0.330) 7.042 26.125 ( 0.030 2.055 -2.558) 3.281 26.282 ( -8.286 -0.203 5.246) 9.809 26.393 ( 4.636 3.135 3.442) 6.570 26.534 ( 0.762 1.577 2.883) 3.373 26.945 ( -2.961 1.459 -2.969) 4.440 27.106 ( -6.557 -4.045 -4.872) 9.115 29.250 ( 2.219 1.201 2.081) 3.270 29.325 ( 0.475 -2.698 1.972) 3.375 29.433 ( -2.060 2.731 0.097) 3.422 29.512 ( -4.079 -1.320 -0.311) 4.299 30.324 ( 10.671 0.924 2.661) 11.037 30.359 ( 11.545 -0.662 2.136) 11.760 30.615 ( 6.183 3.592 -2.661) 7.630 30.806 ( 2.795 -4.953 -6.295) 8.484 35.294 ( -1.800 1.470 0.333) 2.348 35.347 ( -3.549 -0.944 -0.233) 3.680 35.391 ( -3.631 0.370 -0.840) 3.746 35.407 ( -3.935 -0.344 -1.377) 4.183 97.533 ( 1.376 0.181 2.215) 2.614 97.543 ( 1.288 -0.268 2.690) 2.995 97.706 ( -2.550 0.450 -0.691) 2.680 97.725 ( -2.577 -0.405 -0.671) 2.694 100.110 ( 1.409 3.070 0.805) 3.472 100.257 ( -2.060 -4.006 -1.191) 4.659 100.407 ( -4.817 1.757 -1.477) 5.336 100.429 ( -4.328 0.283 -1.776) 4.686 ======================= Grid point 70 (29/72) ======================= q-point: ( 0.40 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.004 ( 38.532 8.773 10.093) 40.787 4.082 ( 38.524 11.768 13.533) 42.494 4.530 ( 21.973 -15.067 11.893) 29.176 4.757 ( 25.597 -18.818 4.629) 32.106 4.837 ( 2.227 2.708 6.485) 7.372 4.902 ( 4.375 -0.220 2.053) 4.837 5.236 ( 1.525 7.733 6.849) 10.442 5.385 ( -7.172 5.916 2.095) 9.530 5.452 ( -7.808 2.700 0.845) 8.305 5.534 ( -11.899 1.800 6.161) 13.520 5.596 ( -12.106 -5.600 4.513) 14.081 5.650 ( -9.435 -1.260 3.480) 10.135 5.724 ( 8.332 2.677 -1.910) 8.958 5.910 ( 0.841 2.559 -0.029) 2.694 6.045 ( 9.545 2.133 1.503) 9.895 6.074 ( 5.444 8.664 -1.453) 10.335 6.097 ( 7.284 2.959 2.514) 8.254 6.257 ( -1.563 -0.549 -5.932) 6.159 6.301 ( 5.719 -0.483 -4.139) 7.076 6.403 ( -2.637 1.067 -3.493) 4.504 6.513 ( 3.394 -5.380 0.493) 6.380 6.575 ( -1.121 -4.128 -2.679) 5.047 6.625 ( -2.912 -3.790 3.854) 6.140 6.720 ( -6.459 -7.236 -0.245) 9.702 6.818 ( 8.340 0.304 3.446) 9.029 6.858 ( -6.536 -6.649 2.813) 9.739 6.920 ( -4.080 -2.776 -0.620) 4.974 7.048 ( 3.433 -6.843 2.441) 8.035 7.087 ( 4.922 8.097 2.465) 9.791 7.161 ( 1.748 1.331 -4.244) 4.780 7.289 ( 5.000 -5.457 1.087) 7.481 7.343 ( -2.622 -2.729 -6.115) 7.191 7.430 ( -0.363 -2.104 -3.853) 4.405 7.485 ( -14.383 4.879 -2.671) 15.421 7.497 ( -1.794 1.020 -0.098) 2.066 7.636 ( 5.869 6.406 5.501) 10.283 7.684 ( -0.036 2.958 2.498) 3.872 7.746 ( -2.825 4.037 2.010) 5.321 7.770 ( -4.316 2.117 -6.708) 8.252 7.854 ( 0.382 3.524 6.212) 7.152 7.939 ( -4.197 8.221 3.722) 9.952 7.963 ( 10.754 3.939 0.669) 11.472 8.053 ( -5.214 -0.474 2.575) 5.834 8.122 ( 13.978 -8.591 2.349) 16.574 8.389 ( -3.243 4.189 6.616) 8.475 8.439 ( -5.846 -0.534 -4.413) 7.344 8.481 ( -4.244 -5.139 -0.084) 6.665 8.540 ( -3.318 -5.757 -3.963) 7.737 8.609 ( -12.020 -3.090 -0.211) 12.413 8.671 ( -5.022 -6.087 2.415) 8.253 8.696 ( 1.197 -5.178 -3.171) 6.188 8.806 ( -2.447 -5.850 3.555) 7.270 8.892 ( 9.528 12.264 4.006) 16.038 9.034 ( 2.863 8.035 1.324) 8.632 9.212 ( -4.925 1.754 -1.868) 5.551 9.219 ( -6.768 -1.228 3.091) 7.541 9.333 ( 2.680 -2.715 -0.156) 3.818 9.410 ( 3.940 0.754 1.849) 4.417 9.483 ( 1.349 -1.640 1.762) 2.760 9.554 ( -5.878 -0.149 -3.280) 6.733 9.607 ( -0.806 -1.580 -1.653) 2.425 9.652 ( -3.314 -2.028 -4.733) 6.124 9.673 ( 1.161 -4.122 -13.200) 13.877 9.716 ( -7.405 -2.173 -4.944) 9.166 9.780 ( -4.693 -1.060 -10.357) 11.420 9.795 ( -6.175 -0.722 1.729) 6.453 9.862 ( -5.453 4.781 -8.246) 10.982 9.915 ( -6.239 2.604 -2.968) 7.384 10.070 ( -4.834 4.259 -3.712) 7.435 10.138 ( -2.575 -0.526 -1.192) 2.886 10.219 ( -4.866 0.645 0.256) 4.915 10.259 ( -0.443 -1.664 4.607) 4.918 10.285 ( 0.254 3.051 -0.799) 3.164 10.389 ( -3.389 0.061 -1.006) 3.535 10.406 ( -2.087 -0.456 -0.169) 2.143 10.501 ( -1.008 2.253 2.235) 3.330 10.579 ( -1.976 -0.161 0.366) 2.016 10.589 ( 3.433 3.411 -3.871) 6.197 10.725 ( 5.734 -1.160 -9.985) 11.573 10.794 ( 1.938 3.150 1.229) 3.897 10.808 ( 0.515 6.683 -4.912) 8.310 10.874 ( 0.578 -0.583 -5.075) 5.141 11.009 ( -0.244 -0.113 -0.086) 0.282 11.135 ( -2.036 -1.425 -0.271) 2.500 11.190 ( 3.871 -4.599 -1.366) 6.165 11.250 ( 5.843 -6.906 -1.890) 9.242 11.306 ( 0.186 2.734 3.130) 4.160 11.342 ( 4.630 -1.680 5.483) 7.371 11.402 ( 0.263 -1.035 5.185) 5.294 11.491 ( -1.242 0.139 3.777) 3.978 11.636 ( -7.856 0.424 1.446) 7.999 11.673 ( -7.986 1.368 5.097) 9.573 11.970 ( -2.045 0.850 0.497) 2.270 12.094 ( -5.116 -2.592 -2.474) 6.246 12.149 ( -0.147 -0.626 0.972) 1.165 12.213 ( -5.842 -3.468 0.736) 6.834 12.350 ( -6.070 0.692 0.814) 6.163 12.368 ( -6.902 2.087 -2.971) 7.799 12.400 ( 0.116 -0.223 -2.356) 2.370 12.443 ( -1.326 -0.602 2.384) 2.793 12.515 ( -0.903 2.247 -9.651) 9.950 12.594 ( -0.989 -0.061 1.952) 2.189 12.718 ( 7.868 1.829 -0.556) 8.097 12.840 ( 0.718 0.146 -10.342) 10.368 12.880 ( 4.327 -5.023 0.507) 6.649 12.907 ( 2.723 -2.427 -3.030) 4.742 12.974 ( 4.388 3.911 -3.362) 6.772 13.063 ( -2.239 0.609 -3.808) 4.459 13.106 ( 2.082 -0.823 -0.275) 2.255 13.243 ( -0.141 -2.997 -1.382) 3.303 13.346 ( 4.640 1.480 4.416) 6.575 13.457 ( -5.978 -2.341 4.369) 7.766 13.570 ( 5.686 -1.169 -6.367) 8.616 13.637 ( 2.891 -0.705 -3.520) 4.610 13.713 ( 1.447 -4.532 -4.246) 6.377 13.765 ( 0.111 -4.355 -2.898) 5.232 13.859 ( -5.314 3.402 -2.180) 6.675 13.931 ( 0.148 8.148 -4.500) 9.309 13.963 ( -2.194 7.225 -2.930) 8.099 14.030 ( 1.985 2.246 1.309) 3.270 14.087 ( -2.525 1.545 -1.856) 3.494 14.169 ( 1.381 -0.075 1.502) 2.042 14.211 ( -1.818 2.108 2.382) 3.664 14.272 ( -0.458 2.321 7.507) 7.871 14.390 ( 1.667 5.582 -1.281) 5.965 14.459 ( 0.135 -7.148 -0.814) 7.195 14.520 ( 0.774 -2.136 3.430) 4.114 14.670 ( -3.573 2.798 -2.023) 4.968 14.741 ( 5.544 0.644 -5.724) 7.995 15.009 ( -3.213 -6.260 -0.962) 7.102 15.202 ( 4.715 -3.601 5.022) 7.773 15.282 ( 1.479 -2.103 9.465) 9.808 15.469 ( -3.662 3.729 -1.187) 5.360 15.533 ( 2.300 2.899 3.350) 4.992 15.762 ( -4.003 -1.717 4.062) 5.956 15.822 ( -9.979 -2.505 3.099) 10.745 15.893 ( 2.972 0.761 0.169) 3.073 15.929 ( 4.096 -1.703 -0.265) 4.444 15.957 ( -1.191 1.279 5.520) 5.790 16.081 ( -1.677 -3.732 9.314) 10.173 16.336 ( 2.717 2.341 -5.750) 6.777 16.472 ( -0.290 -2.811 -2.444) 3.737 16.635 ( 2.720 2.921 2.759) 4.852 16.666 ( 5.015 0.113 8.699) 10.042 16.811 ( 1.782 3.386 4.264) 5.729 16.860 ( -3.510 0.618 -2.980) 4.646 16.946 ( -1.096 -3.522 -4.375) 5.722 17.033 ( -2.984 -3.090 -5.561) 7.027 17.170 ( 2.460 -0.951 2.386) 3.556 17.265 ( -1.898 -3.419 6.860) 7.897 17.460 ( 3.590 1.699 -3.017) 4.988 17.503 ( 1.407 4.354 0.963) 4.676 17.579 ( 3.676 -0.623 5.222) 6.417 17.638 ( 1.002 -0.652 4.082) 4.254 17.643 ( 1.111 0.745 0.596) 1.465 17.671 ( -2.041 2.231 1.188) 3.248 17.686 ( -0.581 -0.049 3.644) 3.691 17.748 ( -1.085 -2.063 4.378) 4.960 17.838 ( 0.195 1.977 3.289) 3.842 17.882 ( -1.691 -0.130 3.400) 3.799 18.425 ( 6.442 0.575 -2.828) 7.059 18.488 ( 3.153 -1.645 -3.095) 4.715 19.291 ( -5.458 1.038 -2.412) 6.056 19.342 ( -8.003 -1.704 -3.690) 8.975 19.855 ( 1.304 0.031 -0.784) 1.522 19.885 ( -0.506 -1.204 -0.771) 1.517 20.064 ( 0.778 0.326 6.370) 6.426 20.074 ( -0.086 0.024 6.404) 6.405 20.844 ( 8.365 5.111 -11.673) 15.243 21.007 ( -0.454 -2.267 -13.701) 13.895 23.434 ( -0.811 0.964 0.864) 1.528 23.468 ( -1.762 -0.422 0.238) 1.828 23.563 ( -3.574 -0.022 0.829) 3.669 23.569 ( -3.483 -0.057 0.656) 3.544 24.673 ( 1.845 1.102 1.388) 2.558 24.742 ( -0.736 -2.266 0.466) 2.427 24.884 ( 3.131 2.408 -1.722) 4.309 24.958 ( 1.070 -0.637 -2.677) 2.953 25.006 ( 0.876 1.043 -0.246) 1.384 25.057 ( -0.987 -0.140 -1.520) 1.817 25.596 ( 1.768 1.124 0.799) 2.242 25.637 ( -0.273 -0.779 0.097) 0.831 25.717 ( 2.828 -2.179 0.700) 3.639 25.802 ( -2.346 -4.732 0.033) 5.281 26.079 ( -3.332 0.622 3.722) 5.034 26.131 ( -6.560 0.056 6.055) 8.927 26.498 ( 5.220 4.187 2.135) 7.024 26.566 ( 1.489 4.293 0.217) 4.549 26.918 ( -0.235 -1.756 -3.338) 3.779 26.994 ( -4.619 -3.468 -4.509) 7.327 29.296 ( 2.380 0.723 0.999) 2.681 29.340 ( 0.866 -1.565 0.516) 1.862 29.398 ( -1.491 1.535 -0.238) 2.153 29.441 ( -3.120 -0.706 -0.712) 3.277 30.514 ( 8.429 1.241 1.605) 8.669 30.573 ( 9.551 -1.537 0.965) 9.722 30.687 ( 1.367 2.993 -1.284) 3.532 30.819 ( -1.522 -2.979 -3.354) 4.737 35.273 ( -0.263 0.601 0.009) 0.656 35.297 ( -1.432 -0.464 -0.129) 1.511 35.326 ( -2.839 0.242 -0.584) 2.909 35.337 ( -3.066 -0.224 -0.908) 3.205 97.566 ( 1.935 0.212 1.265) 2.322 97.576 ( 2.045 -0.248 1.449) 2.519 97.656 ( -2.538 0.406 -0.201) 2.579 97.673 ( -2.701 -0.369 -0.222) 2.735 100.152 ( 2.760 1.423 0.453) 3.138 100.231 ( -0.674 -2.445 -0.605) 2.607 100.326 ( -3.319 1.242 -0.809) 3.635 100.343 ( -4.085 0.066 -1.244) 4.270 ======================= Grid point 71 (30/72) ======================= q-point: (-0.50 0.25 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.589 ( -16.892 2.872 10.646) 20.172 4.589 ( 16.892 2.872 10.646) 20.172 4.849 ( -30.391 6.043 7.006) 31.768 4.849 ( 30.391 6.043 7.006) 31.768 4.917 ( -9.344 -4.402 8.475) 13.360 4.917 ( 9.344 -4.402 8.475) 13.360 5.200 ( -15.315 -1.011 3.098) 15.658 5.200 ( 15.315 -1.011 3.098) 15.658 5.292 ( -9.812 2.505 8.540) 13.247 5.292 ( 9.812 2.505 8.540) 13.247 5.502 ( -2.918 -3.970 4.792) 6.873 5.502 ( 2.918 -3.970 4.792) 6.873 5.883 ( -4.321 1.137 0.095) 4.469 5.883 ( 4.321 1.137 0.095) 4.469 6.163 ( -1.033 -3.777 4.896) 6.270 6.163 ( 1.033 -3.777 4.896) 6.270 6.262 ( -1.674 2.509 -6.914) 7.543 6.262 ( 1.674 2.509 -6.914) 7.543 6.336 ( -14.407 0.286 -4.817) 15.194 6.336 ( 14.407 0.286 -4.817) 15.194 6.542 ( -9.546 -5.700 -3.638) 11.698 6.542 ( 9.546 -5.700 -3.638) 11.698 6.667 ( -9.597 -6.047 -3.876) 11.987 6.667 ( 9.597 -6.047 -3.876) 11.987 6.718 ( -8.808 -5.115 1.816) 10.346 6.718 ( 8.808 -5.115 1.816) 10.346 6.982 ( -9.114 8.946 -2.123) 12.947 6.982 ( 9.114 8.946 -2.123) 12.947 7.175 ( -11.555 5.083 -3.902) 13.213 7.175 ( 11.555 5.083 -3.902) 13.213 7.306 ( -1.773 -0.812 -3.444) 3.958 7.306 ( 1.773 -0.812 -3.444) 3.958 7.411 ( -11.639 -5.443 -2.255) 13.046 7.411 ( 11.639 -5.443 -2.255) 13.046 7.571 ( -5.923 2.891 0.329) 6.599 7.571 ( 5.923 2.891 0.328) 6.599 7.696 ( -6.228 8.108 2.505) 10.526 7.696 ( 6.228 8.108 2.505) 10.526 7.849 ( -0.757 2.711 3.886) 4.798 7.849 ( 0.757 2.711 3.886) 4.798 7.904 ( -7.263 8.785 4.422) 12.226 7.904 ( 7.263 8.785 4.422) 12.226 8.324 ( -1.623 -0.229 -0.752) 1.804 8.324 ( 1.623 -0.229 -0.752) 1.804 8.356 ( -7.563 0.501 2.162) 7.882 8.356 ( 7.563 0.501 2.162) 7.882 8.440 ( -19.615 -0.276 5.590) 20.398 8.440 ( 19.615 -0.276 5.590) 20.398 8.579 ( -4.684 -9.096 -1.413) 10.329 8.579 ( 4.684 -9.096 -1.413) 10.329 8.760 ( -12.402 -12.634 -0.394) 17.708 8.760 ( 12.402 -12.634 -0.394) 17.708 8.981 ( -12.243 -3.202 2.448) 12.889 8.981 ( 12.243 -3.202 2.448) 12.889 9.136 ( -3.802 3.942 5.697) 7.902 9.136 ( 3.802 3.942 5.697) 7.902 9.421 ( -6.886 2.292 -1.570) 7.426 9.421 ( 6.886 2.292 -1.570) 7.426 9.518 ( -5.454 -2.833 2.101) 6.495 9.518 ( 5.454 -2.833 2.101) 6.495 9.544 ( -5.451 -2.382 -6.570) 8.863 9.544 ( 5.451 -2.382 -6.570) 8.863 9.645 ( -3.242 -0.078 -2.366) 4.014 9.645 ( 3.242 -0.078 -2.366) 4.014 9.758 ( -4.552 0.172 -7.179) 8.502 9.758 ( 4.552 0.172 -7.179) 8.502 9.806 ( -3.681 3.093 -2.821) 5.575 9.806 ( 3.681 3.093 -2.821) 5.575 10.068 ( -2.666 2.402 -3.749) 5.190 10.068 ( 2.666 2.402 -3.749) 5.190 10.212 ( -2.915 -3.027 2.074) 4.686 10.212 ( 2.915 -3.027 2.074) 4.686 10.309 ( -2.401 0.289 0.375) 2.447 10.309 ( 2.401 0.289 0.375) 2.447 10.449 ( -3.840 3.300 1.994) 5.442 10.449 ( 3.840 3.300 1.994) 5.442 10.592 ( -1.860 4.480 -3.645) 6.067 10.592 ( 1.860 4.480 -3.645) 6.067 10.804 ( -2.472 8.087 -1.701) 8.626 10.804 ( 2.472 8.087 -1.701) 8.626 10.870 ( -2.698 -0.650 -6.559) 7.122 10.870 ( 2.698 -0.650 -6.559) 7.122 11.049 ( -5.101 -1.155 -1.627) 5.477 11.049 ( 5.101 -1.155 -1.627) 5.477 11.255 ( -2.834 -4.851 -2.524) 6.159 11.255 ( 2.834 -4.851 -2.524) 6.159 11.385 ( -3.357 -2.320 -1.062) 4.216 11.385 ( 3.357 -2.320 -1.062) 4.216 11.436 ( -5.204 0.280 5.009) 7.228 11.436 ( 5.204 0.280 5.009) 7.228 11.552 ( -2.598 -1.444 4.147) 5.103 11.552 ( 2.598 -1.444 4.147) 5.103 11.983 ( -3.967 1.700 0.538) 4.349 11.983 ( 3.967 1.700 0.538) 4.349 12.134 ( -1.879 -3.124 1.601) 3.982 12.134 ( 1.879 -3.124 1.601) 3.982 12.286 ( -0.569 0.514 3.847) 3.923 12.286 ( 0.569 0.514 3.847) 3.923 12.461 ( -3.633 0.784 -9.586) 10.281 12.461 ( 3.633 0.784 -9.586) 10.281 12.524 ( -4.917 0.135 -0.434) 4.938 12.524 ( 4.917 0.135 -0.434) 4.938 12.850 ( -2.547 2.316 -5.917) 6.846 12.850 ( 2.547 2.316 -5.917) 6.846 12.919 ( -2.262 -1.412 -0.785) 2.780 12.919 ( 2.262 -1.412 -0.785) 2.780 13.029 ( -1.018 0.530 -5.601) 5.717 13.029 ( 1.018 0.530 -5.601) 5.717 13.170 ( -5.474 -3.693 -0.610) 6.631 13.170 ( 5.474 -3.693 -0.610) 6.631 13.390 ( -2.137 1.620 4.706) 5.416 13.390 ( 2.137 1.620 4.706) 5.416 13.686 ( -3.819 0.173 -4.094) 5.602 13.686 ( 3.819 0.173 -4.094) 5.602 13.736 ( -3.068 -3.134 -6.071) 7.490 13.736 ( 3.068 -3.134 -6.071) 7.490 13.826 ( -3.654 -2.573 -5.853) 7.364 13.826 ( 3.654 -2.573 -5.853) 7.364 14.013 ( -3.869 5.832 -1.916) 7.256 14.013 ( 3.869 5.832 -1.916) 7.256 14.124 ( -5.220 3.551 -0.044) 6.313 14.124 ( 5.220 3.551 -0.044) 6.313 14.243 ( -3.163 -0.335 6.281) 7.040 14.243 ( 3.163 -0.335 6.281) 7.040 14.412 ( -1.935 -0.540 -0.699) 2.127 14.412 ( 1.935 -0.540 -0.699) 2.127 14.601 ( -4.723 2.328 4.379) 6.849 14.601 ( 4.723 2.328 4.379) 6.849 14.887 ( -8.305 -1.941 -5.862) 10.349 14.887 ( 8.305 -1.941 -5.862) 10.349 15.269 ( -2.393 -0.490 4.670) 5.270 15.269 ( 2.393 -0.490 4.670) 5.270 15.499 ( -5.621 -3.258 4.747) 8.047 15.499 ( 5.621 -3.258 4.747) 8.047 15.715 ( -1.587 0.643 6.457) 6.680 15.715 ( 1.587 0.643 6.457) 6.680 15.945 ( -0.718 0.833 3.171) 3.356 15.945 ( 0.718 0.833 3.171) 3.356 16.014 ( -5.253 0.629 3.870) 6.555 16.014 ( 5.253 0.629 3.870) 6.555 16.413 ( -4.671 -2.018 -3.805) 6.353 16.413 ( 4.671 -2.018 -3.805) 6.353 16.692 ( -2.520 1.600 3.613) 4.686 16.692 ( 2.520 1.600 3.613) 4.686 16.825 ( -0.543 2.432 3.207) 4.062 16.825 ( 0.543 2.432 3.207) 4.062 16.964 ( -2.999 -2.878 -4.619) 6.214 16.964 ( 2.999 -2.878 -4.619) 6.214 17.223 ( -2.518 -4.455 3.373) 6.129 17.223 ( 2.518 -4.455 3.373) 6.129 17.509 ( -1.128 4.365 -0.690) 4.561 17.509 ( 1.128 4.365 -0.690) 4.561 17.630 ( -1.310 0.616 3.172) 3.487 17.630 ( 1.310 0.616 3.172) 3.487 17.651 ( -0.504 1.067 1.826) 2.175 17.651 ( 0.504 1.067 1.826) 2.175 17.711 ( -2.446 -1.646 4.247) 5.170 17.711 ( 2.446 -1.646 4.247) 5.170 17.851 ( -1.239 0.306 3.665) 3.881 17.851 ( 1.239 0.306 3.665) 3.881 18.513 ( -1.627 -0.743 -2.648) 3.196 18.513 ( 1.627 -0.743 -2.648) 3.196 19.236 ( -1.349 0.133 -2.277) 2.650 19.236 ( 1.349 0.133 -2.277) 2.650 19.874 ( -0.708 -0.581 -1.078) 1.414 19.874 ( 0.708 -0.581 -1.078) 1.414 20.074 ( -0.188 0.270 4.970) 4.981 20.074 ( 0.188 0.270 4.970) 4.981 20.969 ( -4.031 0.888 -13.004) 13.643 20.969 ( 4.031 0.888 -13.004) 13.643 23.437 ( -1.100 0.484 0.177) 1.214 23.437 ( 1.100 0.484 0.177) 1.214 23.533 ( -0.268 -0.252 1.275) 1.327 23.533 ( 0.268 -0.252 1.275) 1.327 24.711 ( -1.963 -0.001 0.851) 2.139 24.711 ( 1.963 -0.001 0.851) 2.139 24.945 ( -2.358 -0.190 -2.573) 3.495 24.945 ( 2.358 -0.190 -2.573) 3.495 25.030 ( -1.554 1.323 -1.054) 2.297 25.030 ( 1.554 1.323 -1.054) 2.297 25.624 ( -1.078 0.086 0.468) 1.178 25.624 ( 1.078 0.086 0.468) 1.178 25.761 ( -1.982 -3.237 0.686) 3.857 25.761 ( 1.982 -3.237 0.686) 3.857 26.050 ( -1.222 -0.248 5.586) 5.724 26.050 ( 1.222 -0.248 5.586) 5.724 26.568 ( -1.637 4.745 0.661) 5.063 26.568 ( 1.637 4.745 0.661) 5.063 26.932 ( -1.792 -2.899 -3.629) 4.978 26.932 ( 1.792 -2.899 -3.629) 4.978 29.338 ( -1.545 0.084 0.174) 1.557 29.338 ( 1.545 0.084 0.174) 1.557 29.393 ( -1.462 -0.085 -0.368) 1.510 29.393 ( 1.462 -0.085 -0.368) 1.510 30.639 ( -3.737 1.154 0.170) 3.915 30.639 ( 3.737 1.154 0.170) 3.915 30.748 ( -5.514 -1.213 -0.864) 5.712 30.748 ( 5.514 -1.213 -0.864) 5.712 35.284 ( -1.320 0.183 -0.375) 1.385 35.284 ( 1.320 0.183 -0.375) 1.385 35.294 ( -1.035 -0.147 -0.359) 1.105 35.294 ( 1.035 -0.147 -0.359) 1.105 97.607 ( -2.011 0.183 0.488) 2.077 97.607 ( 2.011 0.183 0.488) 2.077 97.623 ( -2.219 -0.180 0.475) 2.276 97.623 ( 2.219 -0.180 0.475) 2.276 100.208 ( -2.390 -0.041 -0.152) 2.395 100.208 ( 2.390 -0.041 -0.152) 2.395 100.292 ( -0.561 0.103 -0.758) 0.948 100.292 ( 0.561 0.103 -0.758) 0.948 ======================= Grid point 77 (31/72) ======================= q-point: ( 0.00 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.048 ( 0.000 -33.668 23.875) 41.274 2.048 ( 0.000 33.668 23.875) 41.274 2.184 ( 0.000 -33.514 32.016) 46.348 2.184 ( 0.000 33.514 32.016) 46.348 3.610 ( 0.000 -77.706 30.715) 83.556 3.610 ( 0.000 77.706 30.715) 83.556 4.664 ( 0.000 -3.804 -23.531) 23.836 4.664 ( 0.000 3.804 -23.531) 23.836 4.886 ( 0.000 -10.348 -5.013) 11.498 4.886 ( 0.000 10.348 -5.013) 11.498 5.049 ( 0.000 -14.582 -5.062) 15.436 5.049 ( 0.000 14.582 -5.062) 15.436 5.358 ( 0.000 -7.693 -12.312) 14.518 5.358 ( 0.000 7.693 -12.312) 14.518 6.004 ( 0.000 -10.226 10.538) 14.684 6.004 ( 0.000 10.226 10.538) 14.684 6.137 ( 0.000 -4.797 2.355) 5.344 6.137 ( 0.000 4.797 2.355) 5.344 6.360 ( 0.000 -7.889 -2.998) 8.439 6.360 ( 0.000 7.889 -2.998) 8.439 6.540 ( 0.000 -12.514 9.637) 15.794 6.540 ( 0.000 12.514 9.637) 15.794 6.943 ( 0.000 -4.391 2.111) 4.872 6.943 ( 0.000 4.391 2.111) 4.872 7.059 ( 0.000 -2.955 3.025) 4.229 7.059 ( 0.000 2.955 3.025) 4.229 7.290 ( 0.000 -4.877 -1.411) 5.077 7.290 ( 0.000 4.877 -1.411) 5.077 7.387 ( 0.000 -0.595 -0.007) 0.595 7.387 ( 0.000 0.595 -0.007) 0.595 7.519 ( 0.000 -4.841 -0.343) 4.853 7.519 ( 0.000 4.841 -0.343) 4.853 7.656 ( 0.000 -4.839 4.063) 6.319 7.656 ( 0.000 4.839 4.063) 6.319 7.868 ( 0.000 -4.380 -0.119) 4.382 7.868 ( 0.000 4.380 -0.119) 4.382 7.903 ( 0.000 -1.630 3.603) 3.954 7.903 ( 0.000 1.630 3.603) 3.954 8.069 ( 0.000 -12.178 -0.834) 12.207 8.069 ( 0.000 12.178 -0.834) 12.207 8.137 ( 0.000 -10.526 -4.867) 11.596 8.137 ( 0.000 10.526 -4.867) 11.596 8.268 ( 0.000 -5.504 1.518) 5.709 8.268 ( 0.000 5.504 1.518) 5.709 8.296 ( 0.000 -2.578 -1.134) 2.817 8.296 ( 0.000 2.578 -1.134) 2.817 8.470 ( 0.000 -5.729 -4.510) 7.291 8.470 ( 0.000 5.729 -4.510) 7.291 8.768 ( 0.000 -5.106 2.901) 5.873 8.768 ( 0.000 5.106 2.901) 5.873 8.862 ( 0.000 -0.113 0.140) 0.180 8.862 ( 0.000 0.113 0.140) 0.180 8.996 ( 0.000 -12.264 -13.017) 17.884 8.996 ( 0.000 12.264 -13.017) 17.884 9.263 ( 0.000 -25.986 -2.035) 26.065 9.263 ( 0.000 25.986 -2.035) 26.065 9.462 ( 0.000 -0.181 -0.788) 0.809 9.462 ( 0.000 0.181 -0.788) 0.809 9.687 ( 0.000 -9.001 -5.696) 10.651 9.687 ( 0.000 9.001 -5.696) 10.651 9.800 ( 0.000 -3.575 7.860) 8.635 9.800 ( 0.000 3.575 7.860) 8.635 9.941 ( 0.000 -2.281 1.479) 2.719 9.941 ( 0.000 2.281 1.479) 2.719 10.078 ( 0.000 -1.524 -5.072) 5.296 10.078 ( 0.000 1.524 -5.072) 5.296 10.176 ( 0.000 -2.666 -2.947) 3.974 10.176 ( 0.000 2.666 -2.947) 3.974 10.266 ( 0.000 -3.038 0.710) 3.120 10.266 ( 0.000 3.038 0.710) 3.120 10.299 ( 0.000 -2.672 -2.007) 3.342 10.299 ( 0.000 2.672 -2.007) 3.342 10.482 ( 0.000 -2.616 3.816) 4.627 10.482 ( 0.000 2.616 3.816) 4.627 10.651 ( 0.000 -0.831 -6.976) 7.026 10.651 ( 0.000 0.831 -6.976) 7.026 10.690 ( 0.000 -0.493 4.206) 4.235 10.690 ( 0.000 0.493 4.206) 4.235 10.871 ( 0.000 -7.152 -8.119) 10.820 10.871 ( 0.000 7.152 -8.119) 10.820 10.941 ( 0.000 -0.560 -3.187) 3.236 10.941 ( 0.000 0.560 -3.187) 3.236 11.121 ( 0.000 -4.981 2.301) 5.486 11.121 ( 0.000 4.981 2.301) 5.486 11.154 ( 0.000 -4.573 -4.164) 6.184 11.154 ( 0.000 4.573 -4.164) 6.184 11.465 ( 0.000 -3.920 1.851) 4.335 11.465 ( 0.000 3.920 1.851) 4.335 11.521 ( 0.000 -4.326 0.859) 4.411 11.521 ( 0.000 4.326 0.859) 4.411 11.708 ( 0.000 -0.317 -1.684) 1.714 11.708 ( 0.000 0.317 -1.684) 1.714 11.907 ( 0.000 -8.483 12.871) 15.415 11.907 ( 0.000 8.483 12.871) 15.415 12.036 ( 0.000 -1.905 -7.996) 8.220 12.036 ( 0.000 1.905 -7.996) 8.220 12.253 ( 0.000 -1.767 -1.732) 2.475 12.253 ( 0.000 1.767 -1.732) 2.475 12.369 ( 0.000 -0.627 -6.747) 6.776 12.369 ( 0.000 0.627 -6.747) 6.776 12.435 ( 0.000 -5.722 9.412) 11.015 12.435 ( 0.000 5.722 9.412) 11.015 12.620 ( 0.000 -4.073 4.874) 6.352 12.620 ( 0.000 4.073 4.874) 6.352 12.921 ( 0.000 -0.348 3.498) 3.516 12.921 ( 0.000 0.348 3.498) 3.516 13.044 ( 0.000 -5.573 2.541) 6.125 13.044 ( 0.000 5.573 2.541) 6.125 13.186 ( 0.000 -2.057 -5.918) 6.266 13.186 ( 0.000 2.057 -5.918) 6.266 13.479 ( 0.000 -2.391 -0.869) 2.544 13.479 ( 0.000 2.391 -0.869) 2.544 13.633 ( 0.000 -3.793 2.986) 4.827 13.633 ( 0.000 3.793 2.986) 4.827 13.740 ( 0.000 -3.676 1.454) 3.953 13.740 ( 0.000 3.676 1.454) 3.953 13.880 ( 0.000 -3.801 1.675) 4.154 13.880 ( 0.000 3.801 1.675) 4.154 14.053 ( 0.000 -4.494 -8.110) 9.272 14.053 ( 0.000 4.494 -8.110) 9.272 14.287 ( 0.000 -3.916 -1.831) 4.323 14.287 ( 0.000 3.916 -1.831) 4.323 14.523 ( 0.000 -1.483 -1.748) 2.292 14.523 ( 0.000 1.483 -1.748) 2.292 14.713 ( 0.000 -4.981 0.475) 5.004 14.713 ( 0.000 4.981 0.475) 5.004 14.774 ( 0.000 -2.800 3.674) 4.620 14.774 ( 0.000 2.800 3.674) 4.620 14.855 ( 0.000 -1.845 2.324) 2.967 14.855 ( 0.000 1.845 2.324) 2.967 15.293 ( 0.000 -5.955 -3.916) 7.128 15.293 ( 0.000 5.955 -3.916) 7.128 15.537 ( 0.000 -3.049 -5.979) 6.712 15.537 ( 0.000 3.049 -5.979) 6.712 15.639 ( 0.000 -4.237 -2.293) 4.818 15.639 ( 0.000 4.237 -2.293) 4.818 15.861 ( 0.000 -1.961 3.955) 4.415 15.861 ( 0.000 1.961 3.955) 4.415 16.027 ( 0.000 -2.911 7.468) 8.015 16.027 ( 0.000 2.911 7.468) 8.015 16.350 ( 0.000 -6.765 0.724) 6.804 16.350 ( 0.000 6.765 0.724) 6.804 16.619 ( 0.000 -10.377 2.661) 10.712 16.619 ( 0.000 10.377 2.661) 10.712 16.799 ( 0.000 -3.712 -3.209) 4.907 16.799 ( 0.000 3.712 -3.209) 4.907 17.112 ( 0.000 -2.119 -0.789) 2.261 17.112 ( 0.000 2.119 -0.789) 2.261 17.171 ( 0.000 -1.913 2.109) 2.848 17.171 ( 0.000 1.913 2.109) 2.848 17.218 ( 0.000 -3.276 -2.739) 4.271 17.218 ( 0.000 3.276 -2.739) 4.271 17.346 ( 0.000 -5.607 1.154) 5.724 17.346 ( 0.000 5.607 1.154) 5.724 17.617 ( 0.000 -0.789 5.276) 5.335 17.617 ( 0.000 0.789 5.276) 5.335 17.680 ( 0.000 -7.094 -1.850) 7.331 17.680 ( 0.000 7.094 -1.850) 7.331 18.012 ( 0.000 -0.412 -3.391) 3.416 18.012 ( 0.000 0.412 -3.391) 3.416 18.312 ( 0.000 -9.686 -6.533) 11.683 18.312 ( 0.000 9.686 -6.533) 11.683 18.579 ( 0.000 -0.067 -5.090) 5.091 18.579 ( 0.000 0.067 -5.090) 5.091 19.819 ( 0.000 -1.747 2.464) 3.020 19.819 ( 0.000 1.747 2.464) 3.020 20.136 ( 0.000 -3.839 21.835) 22.170 20.136 ( 0.000 3.839 21.835) 22.170 21.698 ( 0.000 -18.352 -4.173) 18.820 21.698 ( 0.000 18.352 -4.173) 18.820 23.838 ( 0.000 -1.068 -4.390) 4.518 23.838 ( 0.000 1.068 -4.390) 4.518 23.903 ( 0.000 -0.113 0.034) 0.118 23.903 ( 0.000 0.113 0.034) 0.118 24.590 ( 0.000 -0.657 2.703) 2.782 24.590 ( 0.000 0.657 2.703) 2.782 24.725 ( 0.000 -0.126 0.071) 0.144 24.725 ( 0.000 0.126 0.071) 0.144 24.888 ( 0.000 -2.208 -1.024) 2.434 24.888 ( 0.000 2.208 -1.024) 2.434 24.968 ( 0.000 -0.897 -0.591) 1.074 24.968 ( 0.000 0.897 -0.591) 1.074 25.637 ( 0.000 -8.076 5.160) 9.583 25.637 ( 0.000 8.076 5.160) 9.583 26.147 ( 0.000 -8.315 -12.628) 15.120 26.147 ( 0.000 8.315 -12.628) 15.120 26.643 ( 0.000 -0.305 6.624) 6.631 26.643 ( 0.000 0.305 6.624) 6.631 27.395 ( 0.000 -0.457 -2.979) 3.014 27.395 ( 0.000 0.457 -2.979) 3.014 29.259 ( 0.000 -5.678 5.677) 8.029 29.259 ( 0.000 5.678 5.677) 8.029 29.661 ( 0.000 -2.208 6.919) 7.263 29.661 ( 0.000 2.208 6.919) 7.263 29.982 ( 0.000 -0.472 0.248) 0.534 29.982 ( 0.000 0.472 0.248) 0.534 30.154 ( 0.000 -0.215 -2.033) 2.044 30.154 ( 0.000 0.215 -2.033) 2.044 35.521 ( 0.000 -1.567 -2.560) 3.001 35.521 ( 0.000 1.567 -2.560) 3.001 35.549 ( 0.000 -1.107 -2.060) 2.338 35.549 ( 0.000 1.107 -2.060) 2.338 97.519 ( 0.000 -1.805 5.900) 6.170 97.519 ( 0.000 1.805 5.900) 6.170 97.810 ( 0.000 -0.289 -0.670) 0.729 97.810 ( 0.000 0.289 -0.670) 0.729 100.369 ( 0.000 -1.185 -4.965) 5.104 100.369 ( 0.000 1.185 -4.965) 5.104 100.606 ( 0.000 -5.156 -6.779) 8.517 100.606 ( 0.000 5.156 -6.779) 8.517 ======================= Grid point 79 (32/72) ======================= q-point: ( 0.10 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.316 ( 24.486 -38.596 21.669) 50.584 2.316 ( 24.486 38.596 21.669) 50.584 2.437 ( 24.242 -39.735 23.852) 52.302 2.437 ( 24.242 39.735 23.852) 52.302 3.910 ( 29.869 -68.224 29.195) 79.994 3.910 ( 29.869 68.224 29.195) 79.994 4.721 ( 4.724 -6.282 -22.467) 23.802 4.721 ( 4.724 6.282 -22.467) 23.802 4.926 ( 3.857 -8.661 -14.068) 16.965 4.926 ( 3.857 8.661 -14.068) 16.965 5.187 ( 14.344 -23.311 -1.015) 27.390 5.187 ( 14.344 23.311 -1.015) 27.390 5.386 ( 3.982 -12.196 -5.065) 13.793 5.386 ( 3.982 12.196 -5.065) 13.793 5.967 ( -4.161 -7.188 12.407) 14.931 5.967 ( -4.161 7.188 12.407) 14.931 6.104 ( -3.349 -7.878 -0.919) 8.609 6.104 ( -3.349 7.878 -0.919) 8.609 6.370 ( -0.493 -7.896 9.653) 12.481 6.370 ( -0.493 7.896 9.653) 12.481 6.539 ( 0.804 -9.408 2.901) 9.878 6.539 ( 0.804 9.408 2.901) 9.878 6.875 ( -6.832 -5.001 5.024) 9.845 6.875 ( -6.832 5.001 5.024) 9.845 7.056 ( -0.149 -2.172 0.522) 2.239 7.056 ( -0.149 2.172 0.522) 2.239 7.234 ( -3.531 -9.147 -0.572) 9.821 7.234 ( -3.531 9.147 -0.572) 9.821 7.331 ( -7.702 -2.708 -0.019) 8.164 7.331 ( -7.702 2.708 -0.019) 8.164 7.483 ( -4.649 -5.728 -1.080) 7.456 7.483 ( -4.649 5.728 -1.080) 7.456 7.582 ( -4.933 -4.497 2.641) 7.179 7.582 ( -4.933 4.497 2.641) 7.179 7.824 ( -1.713 -4.518 2.160) 5.293 7.824 ( -1.713 4.518 2.160) 5.293 7.965 ( 1.775 -7.073 5.671) 9.238 7.965 ( 1.775 7.073 5.671) 9.238 8.066 ( 1.547 -3.506 -5.063) 6.350 8.066 ( 1.547 3.506 -5.063) 6.350 8.200 ( -4.686 -2.002 2.295) 5.588 8.200 ( -4.686 2.002 2.295) 5.588 8.265 ( 1.994 -3.415 -7.779) 8.726 8.265 ( 1.994 3.415 -7.779) 8.726 8.349 ( 8.399 -9.312 -8.618) 15.216 8.349 ( 8.399 9.312 -8.618) 15.216 8.513 ( 3.810 -3.882 -1.472) 5.635 8.513 ( 3.810 3.882 -1.472) 5.635 8.684 ( -2.264 -3.785 -2.217) 4.936 8.684 ( -2.264 3.785 -2.217) 4.936 8.958 ( 3.670 -5.779 -1.788) 7.075 8.958 ( 3.670 5.779 -1.788) 7.075 9.039 ( 3.504 -5.549 -2.316) 6.960 9.039 ( 3.504 5.549 -2.316) 6.960 9.212 ( -3.519 -25.653 -0.142) 25.893 9.212 ( -3.519 25.653 -0.142) 25.893 9.399 ( -6.246 -1.895 -4.691) 8.038 9.399 ( -6.246 1.895 -4.691) 8.038 9.688 ( 0.582 -4.754 -4.098) 6.303 9.688 ( 0.582 4.754 -4.098) 6.303 9.803 ( -0.462 -2.106 4.513) 5.001 9.803 ( -0.462 2.106 4.513) 5.001 9.919 ( -4.973 -1.772 1.407) 5.463 9.919 ( -4.973 1.772 1.407) 5.463 10.065 ( 0.117 -1.559 -5.184) 5.414 10.065 ( 0.117 1.559 -5.184) 5.414 10.140 ( -2.452 -4.253 -0.929) 4.996 10.140 ( -2.452 4.253 -0.929) 4.996 10.240 ( -1.671 -2.889 -0.645) 3.399 10.240 ( -1.671 2.889 -0.645) 3.399 10.340 ( 2.879 -4.301 -6.028) 7.944 10.340 ( 2.879 4.301 -6.028) 7.944 10.468 ( -5.098 -1.998 3.724) 6.622 10.468 ( -5.098 1.998 3.724) 6.622 10.525 ( -8.858 -1.886 -5.931) 10.826 10.525 ( -8.858 1.886 -5.931) 10.826 10.642 ( -1.813 -0.887 -1.214) 2.355 10.642 ( -1.813 0.887 -1.214) 2.355 10.837 ( -2.419 -4.969 1.088) 5.633 10.837 ( -2.419 4.969 1.088) 5.633 10.974 ( 0.705 -2.970 -3.790) 4.866 10.974 ( 0.705 2.970 -3.790) 4.866 11.075 ( -2.534 -4.352 3.215) 5.974 11.075 ( -2.534 4.352 3.215) 5.974 11.148 ( -2.348 -3.935 -2.173) 5.072 11.148 ( -2.348 3.935 -2.173) 5.072 11.343 ( -5.803 -3.097 -5.083) 8.313 11.343 ( -5.803 3.097 -5.083) 8.313 11.651 ( 5.654 -6.963 -1.073) 9.033 11.651 ( 5.654 6.963 -1.073) 9.033 11.696 ( -0.794 -2.596 2.275) 3.542 11.696 ( -0.794 2.596 2.275) 3.542 11.833 ( -1.416 -4.433 7.341) 8.691 11.833 ( -1.416 4.433 7.341) 8.691 12.190 ( 8.673 -2.390 -2.213) 9.264 12.190 ( 8.673 2.390 -2.213) 9.264 12.312 ( -3.536 -6.044 -0.099) 7.003 12.312 ( -3.536 6.044 -0.099) 7.003 12.345 ( 8.728 -0.740 -0.894) 8.805 12.345 ( 8.728 0.740 -0.894) 8.805 12.486 ( 4.557 -3.000 2.367) 5.947 12.486 ( 4.557 3.000 2.367) 5.947 12.678 ( 5.287 -1.912 6.178) 8.353 12.678 ( 5.287 1.912 6.178) 8.353 12.941 ( -8.484 -1.348 0.585) 8.610 12.941 ( -8.484 1.348 0.585) 8.610 12.959 ( 2.122 -4.452 3.893) 6.283 12.959 ( 2.122 4.452 3.893) 6.283 13.202 ( 1.954 -2.702 -4.421) 5.537 13.202 ( 1.954 2.702 -4.421) 5.537 13.433 ( -4.676 -3.474 -0.503) 5.847 13.433 ( -4.676 3.474 -0.503) 5.847 13.651 ( -0.481 -2.936 2.753) 4.053 13.651 ( -0.481 2.936 2.753) 4.053 13.716 ( -1.004 -3.009 0.286) 3.185 13.716 ( -1.004 3.009 0.286) 3.185 13.887 ( 1.691 -2.049 -0.740) 2.758 13.887 ( 1.691 2.049 -0.740) 2.758 14.061 ( 0.472 -5.880 -6.166) 8.534 14.061 ( 0.472 5.880 -6.166) 8.534 14.235 ( -4.617 -3.810 1.046) 6.077 14.235 ( -4.617 3.810 1.046) 6.077 14.428 ( -6.714 -8.368 0.116) 10.729 14.428 ( -6.714 8.368 0.116) 10.729 14.648 ( -3.118 -3.451 1.819) 4.994 14.648 ( -3.118 3.451 1.819) 4.994 14.766 ( -4.849 -1.643 -0.704) 5.168 14.766 ( -4.849 1.643 -0.704) 5.168 14.961 ( 6.080 -6.687 5.655) 10.661 14.961 ( 6.080 6.687 5.655) 10.661 15.241 ( -1.971 -0.531 -1.501) 2.533 15.241 ( -1.971 0.531 -1.501) 2.533 15.469 ( -10.514 -4.057 -8.761) 14.274 15.469 ( -10.514 4.057 -8.761) 14.274 15.655 ( 7.954 -2.216 1.233) 8.349 15.655 ( 7.954 2.216 1.233) 8.349 15.894 ( 2.777 -4.315 2.125) 5.553 15.894 ( 2.777 4.315 2.125) 5.553 16.024 ( -0.822 -9.007 4.207) 9.975 16.024 ( -0.822 9.007 4.207) 9.975 16.377 ( 0.947 -4.145 -1.997) 4.697 16.377 ( 0.947 4.145 -1.997) 4.697 16.567 ( -4.990 -7.394 0.621) 8.942 16.567 ( -4.990 7.394 0.621) 8.942 16.832 ( 3.091 -5.990 -0.938) 6.805 16.832 ( 3.091 5.990 -0.938) 6.805 17.048 ( -1.254 -5.046 0.342) 5.210 17.048 ( -1.254 5.046 0.342) 5.210 17.118 ( -2.428 -3.178 -0.165) 4.003 17.118 ( -2.428 3.178 -0.165) 4.003 17.338 ( 5.793 -0.446 0.356) 5.821 17.338 ( 5.793 0.446 0.356) 5.821 17.441 ( 6.420 -2.192 1.518) 6.952 17.441 ( 6.420 2.192 1.518) 6.952 17.613 ( -0.337 -3.320 4.464) 5.573 17.613 ( -0.337 3.320 4.464) 5.573 17.708 ( 2.957 -4.730 -2.551) 6.134 17.708 ( 2.957 4.730 -2.551) 6.134 17.927 ( -5.415 -1.602 1.172) 5.768 17.927 ( -5.415 1.602 1.172) 5.768 18.332 ( 0.409 -9.687 -5.359) 11.078 18.332 ( 0.409 9.687 -5.359) 11.078 18.817 ( 20.510 -0.931 -8.480) 22.213 18.817 ( 20.510 0.931 -8.480) 22.213 19.827 ( 0.798 -1.983 2.068) 2.974 19.827 ( 0.798 1.983 2.068) 2.974 20.118 ( -1.607 -3.428 19.864) 20.222 20.118 ( -1.607 3.428 19.864) 20.222 21.427 ( -21.815 -9.086 -4.484) 24.053 21.427 ( -21.815 9.086 -4.484) 24.053 23.714 ( -8.070 -1.595 -1.212) 8.315 23.714 ( -8.070 1.595 -1.212) 8.315 23.894 ( -3.054 -0.541 -0.346) 3.120 23.894 ( -3.054 0.541 -0.346) 3.120 24.603 ( 1.186 -0.098 2.713) 2.962 24.603 ( 1.186 0.098 2.713) 2.962 24.842 ( 4.222 -2.506 -1.709) 5.198 24.842 ( 4.222 2.506 -1.709) 5.198 24.906 ( 2.360 -2.026 0.509) 3.152 24.906 ( 2.360 2.026 0.509) 3.152 25.166 ( 19.209 -5.307 -3.705) 20.270 25.166 ( 19.209 5.307 -3.705) 20.270 25.642 ( 0.573 -8.182 5.157) 9.689 25.642 ( 0.573 8.182 5.157) 9.689 26.149 ( 0.568 -7.979 -11.578) 14.073 26.149 ( 0.568 7.979 -11.578) 14.073 26.611 ( -3.263 -1.895 7.268) 8.189 26.611 ( -3.263 1.895 7.268) 8.189 27.312 ( -7.403 -2.542 -2.437) 8.198 27.312 ( -7.403 2.542 -2.437) 8.198 29.254 ( -0.244 -4.684 5.044) 6.887 29.254 ( -0.244 4.684 5.044) 6.887 29.621 ( -3.490 -3.360 4.659) 6.722 29.621 ( -3.490 3.360 4.659) 6.722 29.996 ( 3.951 -1.765 1.540) 4.593 29.996 ( 3.951 1.765 1.540) 4.593 30.328 ( 12.730 -6.152 -4.357) 14.795 30.328 ( 12.730 6.152 -4.357) 14.795 35.477 ( -3.893 -2.483 -1.725) 4.929 35.477 ( -3.893 2.483 -1.725) 4.929 35.528 ( -2.066 -0.693 -1.685) 2.755 35.528 ( -2.066 0.693 -1.685) 2.755 97.516 ( -0.166 -1.149 5.185) 5.313 97.516 ( -0.166 1.149 5.185) 5.313 97.797 ( -1.285 -0.441 -0.761) 1.557 97.797 ( -1.285 0.441 -0.761) 1.557 100.306 ( -5.107 -5.231 -3.513) 8.111 100.306 ( -5.107 5.231 -3.513) 8.111 100.582 ( -2.411 -3.241 -4.765) 6.247 100.582 ( -2.411 3.241 -4.765) 6.247 ======================= Grid point 81 (33/72) ======================= q-point: ( 0.20 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.887 ( 32.350 -18.288 17.206) 40.952 2.887 ( 32.350 18.288 17.206) 40.952 3.036 ( 34.592 -23.081 15.373) 44.336 3.036 ( 34.592 23.081 15.373) 44.336 4.655 ( 33.092 -34.814 8.559) 48.789 4.655 ( 33.092 34.814 8.559) 48.789 4.833 ( 14.839 -14.951 -4.194) 21.478 4.833 ( 14.839 14.951 -4.194) 21.478 5.075 ( 12.573 -4.431 -17.950) 22.359 5.075 ( 12.573 4.431 -17.950) 22.359 5.484 ( 10.846 -11.803 -3.005) 16.309 5.484 ( 10.846 11.803 -3.005) 16.309 5.601 ( 19.103 -26.704 6.912) 33.554 5.601 ( 19.103 26.704 6.912) 33.554 5.877 ( -1.731 -3.252 11.319) 11.903 5.877 ( -1.731 3.252 11.319) 11.903 6.030 ( -3.201 -6.621 1.990) 7.619 6.030 ( -3.201 6.621 1.990) 7.619 6.326 ( -3.564 -7.615 12.034) 14.681 6.326 ( -3.564 7.615 12.034) 14.681 6.532 ( -3.521 -6.115 -2.518) 7.492 6.532 ( -3.521 6.115 -2.518) 7.492 6.724 ( -6.616 -4.933 7.362) 11.059 6.724 ( -6.616 4.933 7.362) 11.059 7.020 ( -5.684 -4.224 -2.286) 7.442 7.020 ( -5.684 4.224 -2.286) 7.442 7.138 ( -11.114 -3.368 1.243) 11.680 7.138 ( -11.114 3.368 1.243) 11.680 7.204 ( 0.021 -5.016 5.012) 7.091 7.204 ( 0.021 5.016 5.012) 7.091 7.285 ( -11.366 -5.183 4.352) 13.229 7.285 ( -11.366 5.183 4.352) 13.229 7.480 ( -5.463 -2.475 1.761) 6.251 7.480 ( -5.463 2.475 1.761) 6.251 7.822 ( -1.655 -5.741 -3.792) 7.077 7.822 ( -1.655 5.741 -3.792) 7.077 7.933 ( -2.994 -7.439 -8.075) 11.380 7.933 ( -2.994 7.439 -8.075) 11.380 8.009 ( -8.092 -7.615 0.236) 11.114 8.009 ( -8.092 7.615 0.236) 11.114 8.129 ( -1.629 -1.355 6.099) 6.457 8.129 ( -1.629 1.355 6.099) 6.457 8.313 ( 3.226 -5.927 -8.712) 11.020 8.313 ( 3.226 5.927 -8.712) 11.020 8.459 ( 1.070 -7.114 -7.565) 10.440 8.459 ( 1.070 7.114 -7.565) 10.440 8.522 ( -4.098 -8.524 3.019) 9.929 8.522 ( -4.098 8.524 3.019) 9.929 8.777 ( 7.411 -4.682 -11.834) 14.728 8.777 ( 7.411 4.682 -11.834) 14.728 8.960 ( -0.881 -11.620 -5.189) 12.757 8.960 ( -0.881 11.620 -5.189) 12.757 9.073 ( -0.457 -7.823 3.355) 8.524 9.073 ( -0.457 7.823 3.355) 8.524 9.178 ( -0.446 -9.360 2.635) 9.734 9.178 ( -0.446 9.360 2.635) 9.734 9.318 ( 0.915 -7.608 -0.751) 7.699 9.318 ( 0.915 7.608 -0.751) 7.699 9.579 ( -14.835 -2.421 -2.402) 15.222 9.579 ( -14.835 2.421 -2.402) 15.222 9.761 ( -4.032 -1.287 2.445) 4.888 9.761 ( -4.032 1.287 2.445) 4.888 9.819 ( -1.490 -1.551 -3.461) 4.075 9.819 ( -1.490 1.551 -3.461) 4.075 10.020 ( -4.805 -1.883 -9.441) 10.759 10.020 ( -4.805 1.883 -9.441) 10.759 10.126 ( -3.748 -2.871 -3.584) 5.927 10.126 ( -3.748 2.871 -3.584) 5.927 10.219 ( 3.324 -2.649 -0.565) 4.288 10.219 ( 3.324 2.649 -0.565) 4.288 10.329 ( -3.215 -2.935 -2.343) 4.944 10.329 ( -3.215 2.935 -2.343) 4.944 10.368 ( -3.311 -1.027 0.766) 3.550 10.368 ( -3.311 1.027 0.766) 3.550 10.438 ( -3.146 -1.669 -5.230) 6.327 10.438 ( -3.146 1.669 -5.230) 6.327 10.576 ( -1.309 -5.977 -2.572) 6.637 10.576 ( -1.309 5.977 -2.572) 6.637 10.812 ( -2.796 -5.235 0.417) 5.949 10.812 ( -2.796 5.235 0.417) 5.949 10.936 ( -3.073 -2.900 -1.378) 4.444 10.936 ( -3.073 2.900 -1.378) 4.444 11.008 ( -1.011 -4.373 1.114) 4.625 11.008 ( -1.011 4.373 1.114) 4.625 11.141 ( 0.330 -1.893 3.221) 3.750 11.141 ( 0.330 1.893 3.221) 3.750 11.279 ( -1.860 -2.927 -0.218) 3.475 11.279 ( -1.860 2.927 -0.218) 3.475 11.585 ( -5.891 -4.174 0.782) 7.262 11.585 ( -5.891 4.174 0.782) 7.262 11.754 ( 5.065 -6.451 5.354) 9.795 11.754 ( 5.065 6.451 5.354) 9.795 11.947 ( 7.107 -2.430 -4.040) 8.529 11.947 ( 7.107 2.430 -4.040) 8.529 12.219 ( -3.337 -6.975 -1.532) 7.883 12.219 ( -3.337 6.975 -1.532) 7.883 12.328 ( 3.935 -1.839 -1.723) 4.673 12.328 ( 3.935 1.839 -1.723) 4.673 12.479 ( 1.447 -2.982 -3.709) 4.974 12.479 ( 1.447 2.982 -3.709) 4.974 12.588 ( 6.363 -5.238 5.727) 10.036 12.588 ( 6.363 5.238 5.727) 10.036 12.769 ( -4.033 -1.659 4.505) 6.270 12.769 ( -4.033 1.659 4.505) 6.270 12.842 ( 8.157 -1.234 5.587) 9.963 12.842 ( 8.157 1.234 5.587) 9.963 13.002 ( 0.544 -2.673 1.604) 3.164 13.002 ( 0.544 2.673 1.604) 3.164 13.213 ( -3.449 -6.864 -1.208) 7.776 13.213 ( -3.449 6.864 -1.208) 7.776 13.313 ( -5.763 -6.219 -2.105) 8.736 13.313 ( -5.763 6.219 -2.105) 8.736 13.564 ( -4.758 -4.157 -2.084) 6.653 13.564 ( -4.758 4.157 -2.084) 6.653 13.730 ( 0.504 -2.125 2.686) 3.461 13.730 ( 0.504 2.125 2.686) 3.461 13.948 ( 3.800 -5.309 -3.036) 7.201 13.948 ( 3.800 5.309 -3.036) 7.201 14.077 ( 1.613 -5.985 -3.184) 6.969 14.077 ( 1.613 5.985 -3.184) 6.969 14.190 ( 1.471 -2.595 1.268) 3.242 14.190 ( 1.471 2.595 1.268) 3.242 14.336 ( -3.981 -7.120 4.902) 9.516 14.336 ( -3.981 7.120 4.902) 9.516 14.481 ( -11.602 -7.080 -1.289) 13.653 14.481 ( -11.602 7.080 -1.289) 13.653 14.705 ( -1.363 -7.229 -4.413) 8.578 14.705 ( -1.363 7.229 -4.413) 8.578 14.982 ( -7.533 -3.497 0.341) 8.312 14.982 ( -7.533 3.497 0.341) 8.312 15.120 ( -3.789 -7.878 6.516) 10.903 15.120 ( -3.789 7.878 6.516) 10.903 15.439 ( 6.032 -6.035 -4.786) 9.783 15.439 ( 6.032 6.035 -4.786) 9.783 15.807 ( 4.092 -2.933 3.194) 5.962 15.807 ( 4.092 2.933 3.194) 5.962 15.976 ( 1.635 -2.886 -1.016) 3.469 15.976 ( 1.635 2.886 -1.016) 3.469 15.999 ( 2.191 -5.726 0.865) 6.192 15.999 ( 2.191 5.726 0.865) 6.192 16.349 ( -2.953 -5.587 -2.731) 6.884 16.349 ( -2.953 5.587 -2.731) 6.884 16.495 ( -0.500 -1.741 2.978) 3.485 16.495 ( -0.500 1.741 2.978) 3.485 16.884 ( 1.579 -5.663 -2.912) 6.561 16.884 ( 1.579 5.663 -2.912) 6.561 17.008 ( -2.414 -2.331 -1.858) 3.836 17.008 ( -2.414 2.331 -1.858) 3.836 17.157 ( 4.395 -1.999 4.807) 6.814 17.157 ( 4.395 1.999 4.807) 6.814 17.403 ( 1.338 -3.123 0.070) 3.399 17.403 ( 1.338 3.123 0.070) 3.399 17.537 ( 3.518 -1.202 4.596) 5.912 17.537 ( 3.518 1.202 4.596) 5.912 17.611 ( 0.407 -4.297 2.989) 5.250 17.611 ( 0.407 4.297 2.989) 5.250 17.772 ( 1.831 -3.417 -3.252) 5.060 17.772 ( 1.831 3.417 -3.252) 5.060 17.858 ( -0.790 -2.683 4.610) 5.392 17.858 ( -0.790 2.683 4.610) 5.392 18.335 ( 0.414 -7.118 -4.504) 8.433 18.335 ( 0.414 7.118 -4.504) 8.433 19.211 ( 16.560 -1.696 -8.318) 18.609 19.211 ( 16.560 1.696 -8.318) 18.609 19.847 ( 1.032 -2.285 1.104) 2.740 19.847 ( 1.032 2.285 1.104) 2.740 20.083 ( -1.729 -2.562 15.237) 15.547 20.083 ( -1.729 2.562 15.237) 15.547 21.045 ( -14.465 -10.671 -7.468) 19.464 21.045 ( -14.465 10.671 -7.468) 19.464 23.575 ( -5.809 -0.414 0.188) 5.827 23.575 ( -5.809 0.414 0.188) 5.827 23.796 ( -6.348 -0.262 -0.008) 6.353 23.796 ( -6.348 0.262 -0.008) 6.353 24.634 ( 1.942 -1.053 2.224) 3.134 24.634 ( 1.942 1.053 2.224) 3.134 24.878 ( 1.036 -0.689 -2.197) 2.525 24.878 ( 1.036 0.689 -2.197) 2.525 24.967 ( 3.044 -2.421 0.703) 3.953 24.967 ( 3.044 2.421 0.703) 3.953 25.492 ( 10.613 -6.231 -3.763) 12.869 25.492 ( 10.613 6.231 -3.763) 12.869 25.667 ( 2.277 -9.230 4.428) 10.487 25.667 ( 2.277 9.230 4.428) 10.487 26.186 ( 3.192 -7.743 -7.943) 11.543 26.186 ( 3.192 7.743 -7.943) 11.543 26.527 ( -4.616 -4.121 7.735) 9.905 26.527 ( -4.616 4.121 7.735) 9.905 27.152 ( -8.097 -5.775 -2.959) 10.377 27.152 ( -8.097 5.775 -2.959) 10.377 29.258 ( 0.740 -3.262 3.519) 4.854 29.258 ( 0.740 3.262 3.519) 4.854 29.547 ( -3.744 -3.351 1.553) 5.260 29.547 ( -3.744 3.351 1.553) 5.260 30.136 ( 9.586 -1.233 2.510) 9.985 30.136 ( 9.586 1.233 2.510) 9.985 30.557 ( 9.853 -7.624 -5.499) 13.618 30.557 ( 9.853 7.624 -5.499) 13.618 35.394 ( -4.189 -2.565 -0.490) 4.937 35.394 ( -4.189 2.565 -0.490) 4.937 35.472 ( -3.471 -0.650 -1.383) 3.792 35.472 ( -3.471 0.650 -1.383) 3.792 97.518 ( 0.545 -0.469 3.748) 3.816 97.518 ( 0.545 0.469 3.748) 3.816 97.763 ( -2.156 -0.576 -0.837) 2.383 97.763 ( -2.156 0.576 -0.837) 2.383 100.217 ( -3.359 -6.094 -1.244) 7.069 100.217 ( -3.359 6.094 -1.244) 7.069 100.516 ( -4.120 -0.861 -2.754) 5.030 100.516 ( -4.120 0.861 -2.754) 5.030 ======================= Grid point 83 (34/72) ======================= q-point: ( 0.30 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.548 ( 34.587 -12.670 11.091) 38.468 3.548 ( 34.587 12.670 11.091) 38.468 3.733 ( 35.936 -16.660 14.485) 42.175 3.733 ( 35.936 16.660 14.485) 42.175 4.818 ( 3.194 -3.755 -6.689) 8.310 4.818 ( 3.194 3.755 -6.689) 8.310 5.262 ( 12.689 -6.144 -9.725) 17.127 5.262 ( 12.689 6.144 -9.725) 17.127 5.477 ( 12.205 -10.437 9.710) 18.766 5.477 ( 12.205 10.437 9.710) 18.766 5.667 ( 6.465 -2.934 4.286) 8.293 5.667 ( 6.465 2.934 4.286) 8.293 5.838 ( 6.487 -6.649 0.472) 9.301 5.838 ( 6.487 6.649 0.472) 9.301 5.979 ( 4.720 -3.912 5.568) 8.282 5.979 ( 4.720 3.912 5.568) 8.282 6.185 ( 14.660 -9.835 2.187) 17.788 6.185 ( 14.660 9.835 2.187) 17.788 6.279 ( 10.819 -7.515 2.643) 13.436 6.279 ( 10.819 7.515 2.643) 13.436 6.439 ( -2.318 -2.256 0.354) 3.255 6.439 ( -2.318 2.256 0.354) 3.255 6.637 ( -1.900 -3.732 5.214) 6.687 6.637 ( -1.900 3.732 5.214) 6.687 6.799 ( -13.278 -9.491 2.614) 16.529 6.799 ( -13.278 9.491 2.614) 16.529 6.901 ( -10.143 -8.085 4.735) 13.808 6.901 ( -10.143 8.085 4.735) 13.808 7.116 ( -1.879 -7.337 2.586) 8.003 7.116 ( -1.879 7.337 2.586) 8.003 7.291 ( -0.254 -9.248 6.814) 11.490 7.291 ( -0.254 9.248 6.814) 11.490 7.408 ( 1.783 -6.612 -0.897) 6.907 7.408 ( 1.783 6.612 -0.897) 6.907 7.665 ( -11.261 -7.396 -4.045) 14.067 7.665 ( -11.261 7.396 -4.045) 14.067 7.843 ( -5.685 -1.363 -5.368) 7.937 7.843 ( -5.685 1.363 -5.368) 7.937 7.917 ( -3.266 -7.312 -1.607) 8.168 7.917 ( -3.266 7.312 -1.607) 8.168 8.095 ( -1.257 -6.865 -1.121) 7.068 8.095 ( -1.257 6.865 -1.121) 7.068 8.233 ( -12.945 -6.193 -2.478) 14.562 8.233 ( -12.945 6.193 -2.478) 14.562 8.435 ( 0.393 -3.893 -0.133) 3.916 8.435 ( 0.393 3.893 -0.133) 3.916 8.516 ( 2.781 -7.673 -0.934) 8.215 8.516 ( 2.781 7.673 -0.933) 8.215 8.696 ( -11.491 -4.101 -5.010) 13.189 8.696 ( -11.491 4.101 -5.010) 13.189 8.997 ( -6.478 -8.134 -0.708) 10.422 8.997 ( -6.478 8.134 -0.708) 10.422 9.031 ( -2.438 -5.820 2.144) 6.664 9.031 ( -2.438 5.820 2.144) 6.664 9.189 ( -2.701 -3.476 2.628) 5.127 9.189 ( -2.701 3.476 2.628) 5.127 9.320 ( 4.840 -9.249 -1.214) 10.510 9.320 ( 4.840 9.249 -1.214) 10.510 9.415 ( 2.209 -4.834 -1.422) 5.502 9.415 ( 2.209 4.834 -1.422) 5.502 9.673 ( -3.096 -4.344 -6.334) 8.281 9.673 ( -3.096 4.344 -6.334) 8.281 9.764 ( -4.939 -2.052 -6.477) 8.399 9.764 ( -4.939 2.052 -6.477) 8.399 9.923 ( -5.842 -1.729 -5.170) 7.990 9.923 ( -5.842 1.729 -5.170) 7.990 10.039 ( -5.465 -2.919 -3.621) 7.176 10.039 ( -5.465 2.919 -3.621) 7.176 10.188 ( -4.394 -0.833 1.561) 4.737 10.188 ( -4.394 0.833 1.561) 4.737 10.291 ( -0.526 -1.331 1.939) 2.410 10.291 ( -0.526 1.331 1.939) 2.410 10.352 ( 0.468 -4.560 -1.951) 4.982 10.352 ( 0.468 4.560 -1.951) 4.982 10.467 ( 6.039 -1.539 -9.167) 11.084 10.467 ( 6.039 1.539 -9.167) 11.084 10.564 ( -3.195 -1.158 -6.720) 7.530 10.564 ( -3.195 1.158 -6.720) 7.530 10.711 ( -4.685 -4.196 1.262) 6.415 10.711 ( -4.685 4.196 1.262) 6.415 10.914 ( 0.038 -0.606 -1.546) 1.661 10.914 ( 0.038 0.606 -1.546) 1.661 11.033 ( 2.758 -4.200 3.045) 5.875 11.033 ( 2.758 4.200 3.045) 5.875 11.119 ( -1.137 -3.268 -1.158) 3.649 11.119 ( -1.137 3.268 -1.158) 3.649 11.283 ( 1.925 -1.967 7.535) 8.022 11.283 ( 1.925 1.967 7.535) 8.022 11.494 ( -3.362 -5.903 3.069) 7.454 11.494 ( -3.362 5.903 3.069) 7.454 11.806 ( -2.773 -4.178 3.188) 5.942 11.806 ( -2.773 4.178 3.188) 5.942 12.023 ( 1.735 -3.025 -3.875) 5.213 12.023 ( 1.735 3.025 -3.875) 5.213 12.167 ( -1.040 -5.826 -1.429) 6.088 12.167 ( -1.040 5.826 -1.429) 6.088 12.422 ( 4.962 -1.384 -3.711) 6.349 12.422 ( 4.962 1.384 -3.711) 6.349 12.430 ( -3.409 -1.135 1.053) 3.744 12.430 ( -3.409 1.135 1.053) 3.744 12.689 ( -1.629 -2.914 2.851) 4.389 12.689 ( -1.629 2.914 2.851) 4.389 12.748 ( 2.424 -3.416 -1.912) 4.604 12.748 ( 2.424 3.416 -1.912) 4.604 12.846 ( -9.407 -5.546 -2.640) 11.235 12.846 ( -9.407 5.546 -2.640) 11.235 13.014 ( -3.101 -5.076 3.702) 7.006 13.014 ( -3.101 5.076 3.702) 7.006 13.081 ( 6.144 -2.930 2.854) 7.382 13.081 ( 6.144 2.930 2.854) 7.382 13.353 ( 4.106 -5.323 -1.900) 6.986 13.353 ( 4.106 5.323 -1.900) 6.986 13.538 ( 1.704 -1.026 -4.434) 4.860 13.538 ( 1.704 1.026 -4.434) 4.860 13.717 ( -1.822 -2.503 1.609) 3.488 13.717 ( -1.822 2.503 1.609) 3.488 14.009 ( 2.257 -0.564 -2.217) 3.214 14.009 ( 2.257 0.564 -2.217) 3.214 14.112 ( 0.565 -2.869 -0.176) 2.929 14.112 ( 0.565 2.869 -0.176) 2.929 14.161 ( -9.029 -4.746 -2.194) 10.434 14.161 ( -9.029 4.746 -2.194) 10.434 14.257 ( 0.780 -7.325 5.865) 9.416 14.257 ( 0.780 7.325 5.865) 9.416 14.392 ( 2.542 -3.617 -3.981) 5.949 14.392 ( 2.542 3.617 -3.981) 5.949 14.620 ( -7.583 -9.008 -3.475) 12.277 14.620 ( -7.583 9.008 -3.475) 12.277 14.860 ( -0.605 -8.833 -1.959) 9.068 14.860 ( -0.605 8.833 -1.959) 9.068 15.137 ( 2.766 -6.979 11.596) 13.814 15.137 ( 2.766 6.979 11.596) 13.814 15.560 ( 4.468 -7.880 -2.782) 9.477 15.560 ( 4.468 7.880 -2.782) 9.477 15.811 ( -2.264 -5.384 0.288) 5.847 15.811 ( -2.264 5.384 0.288) 5.847 15.911 ( -3.716 -4.140 -1.754) 5.833 15.911 ( -3.716 4.140 -1.754) 5.833 16.043 ( -1.889 -2.560 4.763) 5.728 16.043 ( -1.889 2.560 4.763) 5.728 16.363 ( 3.821 -2.955 -0.895) 4.912 16.363 ( 3.821 2.955 -0.895) 4.912 16.548 ( 5.368 -0.696 6.646) 8.571 16.548 ( 5.368 0.696 6.646) 8.571 16.894 ( -0.308 -4.785 -5.787) 7.516 16.894 ( -0.308 4.785 -5.787) 7.516 16.967 ( -1.987 -3.149 -2.230) 4.340 16.967 ( -1.987 3.149 -2.230) 4.340 17.217 ( 0.685 -4.103 5.947) 7.257 17.217 ( 0.685 4.103 5.947) 7.257 17.434 ( 3.000 -4.020 0.522) 5.043 17.434 ( 3.000 4.020 0.522) 5.043 17.578 ( 1.064 -2.083 5.767) 6.224 17.578 ( 1.064 2.083 5.767) 6.224 17.637 ( 1.870 -3.302 1.803) 4.201 17.637 ( 1.870 3.302 1.803) 4.201 17.758 ( -1.937 -1.975 1.371) 3.087 17.758 ( -1.937 1.975 1.371) 3.087 17.876 ( 0.726 -2.417 2.304) 3.417 17.876 ( 0.726 2.417 2.304) 3.417 18.367 ( 3.170 -4.587 -4.389) 7.096 18.367 ( 3.170 4.587 -4.389) 7.096 19.388 ( 1.163 -2.280 -5.215) 5.809 19.388 ( 1.163 2.280 -5.215) 5.809 19.858 ( 0.153 -2.093 0.236) 2.112 19.858 ( 0.153 2.093 0.236) 2.112 20.063 ( -0.092 -1.331 10.409) 10.494 20.063 ( -0.092 1.331 10.409) 10.494 20.900 ( -0.979 -9.908 -11.302) 15.062 20.900 ( -0.979 9.908 -11.302) 15.062 23.491 ( -2.890 -1.174 0.710) 3.199 23.491 ( -2.890 1.174 0.710) 3.199 23.667 ( -6.323 -0.253 0.150) 6.330 23.667 ( -6.323 0.253 0.150) 6.330 24.673 ( 1.855 -2.258 1.538) 3.302 24.673 ( 1.855 2.258 1.538) 3.302 24.901 ( 1.371 -2.064 -2.046) 3.214 24.901 ( 1.371 2.064 -2.046) 3.214 25.014 ( 1.744 -2.776 -0.432) 3.307 25.014 ( 1.744 2.776 -0.432) 3.307 25.594 ( 2.078 -2.379 -0.320) 3.175 25.594 ( 2.078 2.379 -0.320) 3.175 25.710 ( 1.206 -7.051 1.367) 7.283 25.710 ( 1.206 7.051 1.367) 7.283 26.210 ( -2.909 -5.695 1.246) 6.515 26.210 ( -2.909 5.695 1.246) 6.515 26.494 ( 2.729 -5.491 2.444) 6.601 26.494 ( 2.729 5.491 2.444) 6.601 27.014 ( -5.880 -5.520 -3.676) 8.863 27.014 ( -5.880 5.520 -3.676) 8.863 29.281 ( 1.533 -2.161 1.996) 3.317 29.281 ( 1.533 2.161 1.996) 3.317 29.479 ( -3.212 -2.274 -0.093) 3.937 29.479 ( -3.212 2.274 -0.093) 3.937 30.343 ( 10.988 -1.080 2.353) 11.289 30.343 ( 10.988 1.080 2.353) 11.289 30.703 ( 5.019 -5.915 -4.288) 8.864 30.703 ( 5.019 5.915 -4.288) 8.864 35.324 ( -2.866 -1.628 -0.031) 3.297 35.324 ( -2.866 1.628 -0.031) 3.297 35.399 ( -3.788 -0.480 -1.089) 3.970 35.399 ( -3.788 0.480 -1.089) 3.970 97.537 ( 1.370 -0.311 2.421) 2.799 97.537 ( 1.370 0.311 2.421) 2.799 97.716 ( -2.571 -0.606 -0.666) 2.725 97.716 ( -2.571 0.606 -0.666) 2.725 100.179 ( -0.634 -4.357 -0.211) 4.408 100.179 ( -0.634 4.357 -0.211) 4.408 100.428 ( -4.686 -0.571 -1.726) 5.026 100.428 ( -4.686 0.571 -1.726) 5.026 ======================= Grid point 85 (35/72) ======================= q-point: ( 0.40 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.206 ( 31.342 -10.629 8.804) 34.247 4.206 ( 31.342 10.629 8.804) 34.247 4.418 ( 33.642 -15.172 12.053) 38.824 4.418 ( 33.642 15.172 12.053) 38.824 4.880 ( 2.248 -2.015 3.791) 4.846 4.880 ( 2.248 2.015 3.791) 4.846 5.374 ( -2.001 -7.695 1.951) 8.187 5.374 ( -2.001 7.695 1.951) 8.187 5.506 ( -9.477 -4.650 4.920) 11.647 5.506 ( -9.477 4.650 4.920) 11.647 5.604 ( -10.817 -3.315 5.461) 12.563 5.604 ( -10.817 3.315 5.461) 12.563 5.836 ( 2.181 -8.735 -0.958) 9.054 5.836 ( 2.181 8.735 -0.958) 9.054 6.082 ( 2.492 -2.484 6.351) 7.261 6.082 ( 2.492 2.484 6.351) 7.261 6.235 ( 1.922 -6.133 -8.611) 10.745 6.235 ( 1.922 6.133 -8.611) 10.745 6.383 ( 1.745 -7.695 -4.430) 9.049 6.383 ( 1.745 7.695 -4.430) 9.049 6.494 ( 0.073 -6.630 -5.013) 8.312 6.494 ( 0.073 6.630 -5.013) 8.312 6.570 ( -9.108 -6.165 3.861) 11.656 6.570 ( -9.108 6.165 3.861) 11.656 6.831 ( -0.209 -1.935 6.662) 6.940 6.831 ( -0.209 1.935 6.662) 6.940 6.939 ( 9.637 -4.370 -1.551) 10.695 6.939 ( 9.637 4.370 -1.551) 10.695 7.129 ( 2.460 -1.969 -6.056) 6.826 7.129 ( 2.460 1.969 -6.056) 6.826 7.294 ( 10.032 -4.428 4.110) 11.711 7.294 ( 10.032 4.428 4.110) 11.711 7.450 ( -3.918 -5.727 -1.452) 7.089 7.450 ( -3.918 5.727 -1.452) 7.089 7.614 ( -3.396 -4.962 3.900) 7.166 7.614 ( -3.396 4.962 3.900) 7.166 7.744 ( 8.451 -3.924 1.513) 9.439 7.744 ( 8.451 3.924 1.513) 9.439 7.874 ( -0.466 -7.598 0.300) 7.618 7.874 ( -0.466 7.598 0.300) 7.618 7.975 ( -0.388 -5.464 -0.307) 5.487 7.975 ( -0.388 5.464 -0.307) 5.487 8.116 ( -2.320 -2.567 -0.535) 3.501 8.116 ( -2.320 2.567 -0.535) 3.501 8.408 ( -2.271 -1.537 2.770) 3.898 8.408 ( -2.271 1.537 2.770) 3.898 8.458 ( -8.652 -2.607 -2.114) 9.280 8.458 ( -8.652 2.607 -2.114) 9.280 8.573 ( -3.208 -5.432 -1.363) 6.454 8.573 ( -3.208 5.432 -1.363) 6.454 8.687 ( -10.663 -5.130 4.312) 12.594 8.687 ( -10.663 5.130 4.312) 12.594 9.072 ( -0.314 -6.775 -1.642) 6.978 9.072 ( -0.314 6.775 -1.642) 6.978 9.184 ( 0.018 -1.445 5.725) 5.904 9.184 ( 0.018 1.445 5.725) 5.904 9.427 ( 1.976 -3.621 -0.764) 4.195 9.427 ( 1.976 3.621 -0.764) 4.195 9.469 ( 3.645 -11.229 -0.661) 11.824 9.469 ( 3.645 11.229 -0.661) 11.824 9.608 ( -9.353 -3.505 -2.893) 10.399 9.608 ( -9.353 3.505 -2.893) 10.399 9.675 ( 0.819 -2.308 -8.975) 9.303 9.675 ( 0.819 2.308 -8.975) 9.303 9.774 ( -7.168 -0.663 -2.329) 7.566 9.774 ( -7.168 0.663 -2.329) 7.566 9.938 ( -5.868 -1.788 -6.362) 8.838 9.938 ( -5.868 1.788 -6.362) 8.838 10.114 ( -2.751 -1.204 0.945) 3.149 10.114 ( -2.751 1.204 0.945) 3.149 10.234 ( -4.806 -1.029 0.126) 4.916 10.234 ( -4.806 1.029 0.126) 4.916 10.353 ( -3.117 -3.274 -1.557) 4.781 10.353 ( -3.117 3.274 -1.557) 4.781 10.462 ( 0.525 -5.645 3.179) 6.500 10.462 ( 0.525 5.645 3.179) 6.500 10.612 ( 6.310 -5.559 -8.930) 12.266 10.612 ( 6.310 5.559 -8.930) 12.266 10.720 ( 3.805 -7.349 -6.747) 10.678 10.720 ( 3.805 7.349 -6.747) 10.678 10.926 ( 1.058 -1.786 -4.331) 4.803 10.926 ( 1.058 1.786 -4.331) 4.803 11.064 ( -0.401 -5.271 4.098) 6.689 11.064 ( -0.401 5.271 4.098) 6.689 11.144 ( 2.840 -2.726 -3.429) 5.220 11.144 ( 2.840 2.726 -3.429) 5.220 11.324 ( 2.025 -0.397 4.490) 4.942 11.324 ( 2.025 0.397 4.490) 4.942 11.453 ( -0.743 -4.412 5.902) 7.406 11.453 ( -0.743 4.412 5.902) 7.406 11.662 ( -9.694 -2.139 2.598) 10.262 11.662 ( -9.694 2.139 2.598) 10.262 12.018 ( -1.112 -4.487 -0.265) 4.631 12.018 ( -1.112 4.487 -0.265) 4.631 12.162 ( -2.854 -1.921 -1.348) 3.695 12.162 ( -2.854 1.921 -1.348) 3.695 12.358 ( -4.710 -0.793 -0.563) 4.810 12.358 ( -4.710 0.793 -0.563) 4.810 12.434 ( -3.050 -1.296 0.926) 3.441 12.434 ( -3.050 1.296 0.926) 3.441 12.568 ( -1.513 -2.899 -2.734) 4.263 12.568 ( -1.513 2.899 -2.734) 4.263 12.769 ( 5.398 -4.167 2.884) 7.404 12.769 ( 5.398 4.167 2.884) 7.404 12.871 ( 3.081 -1.418 -9.736) 10.310 12.871 ( 3.081 1.418 -9.736) 10.310 13.037 ( 2.162 -2.916 -5.012) 6.188 13.037 ( 2.162 2.916 -5.012) 6.188 13.154 ( -0.072 -5.556 1.467) 5.747 13.154 ( -0.072 5.556 1.467) 5.747 13.398 ( 1.228 -3.975 4.459) 6.099 13.398 ( 1.228 3.975 4.459) 6.099 13.612 ( 5.126 -4.707 -6.115) 9.264 13.612 ( 5.126 4.707 -6.115) 9.264 13.681 ( -0.959 -3.939 -3.228) 5.182 13.681 ( -0.959 3.939 -3.228) 5.182 13.937 ( -9.388 -4.044 -3.002) 10.654 13.937 ( -9.388 4.044 -3.002) 10.654 14.061 ( 1.997 -2.505 -0.548) 3.250 14.061 ( 1.997 2.505 -0.548) 3.250 14.146 ( -0.119 -3.047 0.711) 3.131 14.146 ( -0.119 3.047 0.711) 3.131 14.272 ( 1.147 -10.016 2.027) 10.283 14.272 ( 1.147 10.016 2.027) 10.283 14.409 ( -3.657 -7.757 2.592) 8.959 14.409 ( -3.657 7.757 2.592) 8.959 14.569 ( 4.918 -9.791 -4.676) 11.912 14.569 ( 4.918 9.791 -4.676) 11.912 14.871 ( -0.285 -9.080 -1.629) 9.229 14.871 ( -0.285 9.080 -1.629) 9.229 15.209 ( 4.266 -4.105 11.236) 12.701 15.209 ( 4.266 4.105 11.236) 12.701 15.542 ( -5.536 -2.634 -2.261) 6.534 15.542 ( -5.536 2.634 -2.261) 6.534 15.762 ( -3.072 -2.268 3.078) 4.905 15.762 ( -3.072 2.268 3.078) 4.905 15.911 ( 4.102 -0.916 0.652) 4.253 15.911 ( 4.102 0.916 0.652) 4.253 16.004 ( -0.869 -3.793 7.246) 8.225 16.004 ( -0.869 3.793 7.246) 8.225 16.404 ( -0.080 -4.325 -2.893) 5.204 16.404 ( -0.080 4.325 -2.893) 5.204 16.663 ( 4.992 -0.539 7.677) 9.173 16.663 ( 4.992 0.539 7.677) 9.173 16.879 ( -0.709 -0.687 -5.534) 5.621 16.879 ( -0.709 0.687 -5.534) 5.621 16.929 ( -1.899 -5.640 -1.224) 6.076 16.929 ( -1.899 5.640 -1.224) 6.076 17.196 ( -1.719 -3.182 3.326) 4.913 17.196 ( -1.719 3.182 3.326) 4.913 17.519 ( 4.684 -3.322 1.099) 5.846 17.519 ( 4.684 3.322 1.099) 5.846 17.598 ( 0.996 -3.093 5.421) 6.321 17.598 ( 0.996 3.093 5.421) 6.321 17.665 ( 0.818 -1.435 2.068) 2.647 17.665 ( 0.818 1.435 2.068) 2.647 17.718 ( -2.018 -1.872 2.389) 3.645 17.718 ( -2.018 1.872 2.389) 3.645 17.869 ( -1.091 -1.353 3.047) 3.508 17.869 ( -1.091 1.353 3.047) 3.508 18.450 ( 4.523 -2.154 -4.314) 6.611 18.450 ( 4.523 2.154 -4.314) 6.611 19.313 ( -6.187 -1.441 -2.485) 6.821 19.313 ( -6.187 1.441 -2.485) 6.821 19.863 ( 0.363 -0.980 -0.720) 1.269 19.863 ( 0.363 0.980 -0.720) 1.269 20.071 ( 0.515 -0.363 6.624) 6.654 20.071 ( 0.515 0.363 6.624) 6.654 20.941 ( 3.277 -4.994 -12.984) 14.293 20.941 ( 3.277 4.994 -12.984) 14.293 23.454 ( -1.124 -1.103 0.552) 1.669 23.454 ( -1.124 1.103 0.552) 1.669 23.566 ( -3.685 -0.233 0.721) 3.762 23.566 ( -3.685 0.233 0.721) 3.762 24.702 ( 0.995 -2.033 1.077) 2.506 24.702 ( 0.995 2.033 1.077) 2.506 24.929 ( 1.313 -2.327 -2.439) 3.618 24.929 ( 1.313 2.327 -2.439) 3.618 25.038 ( 0.755 -1.919 -1.385) 2.484 25.038 ( 0.755 1.919 -1.385) 2.484 25.618 ( 0.736 -1.230 0.537) 1.531 25.618 ( 0.736 1.230 0.537) 1.531 25.720 ( 0.282 -3.035 1.636) 3.459 25.720 ( 0.282 3.035 1.636) 3.459 26.108 ( -5.470 -2.034 5.407) 7.956 26.108 ( -5.470 2.034 5.407) 7.956 26.581 ( 4.292 -3.225 -0.554) 5.397 26.581 ( 4.292 3.225 -0.554) 5.397 26.925 ( -3.161 -3.105 -3.401) 5.586 26.925 ( -3.161 3.105 -3.401) 5.586 29.314 ( 1.777 -1.270 0.803) 2.327 29.314 ( 1.777 1.270 0.803) 2.327 29.423 ( -2.452 -1.237 -0.514) 2.794 29.423 ( -2.452 1.237 -0.514) 2.794 30.543 ( 8.858 -1.783 1.256) 9.123 30.543 ( 8.858 1.783 1.256) 9.123 30.753 ( 0.163 -4.040 -2.271) 4.637 30.753 ( 0.163 4.040 -2.271) 4.637 35.286 ( -0.908 -0.749 -0.086) 1.180 35.286 ( -0.908 0.749 -0.086) 1.180 35.332 ( -2.947 -0.325 -0.732) 3.054 35.332 ( -2.947 0.325 -0.732) 3.054 97.571 ( 1.989 -0.321 1.353) 2.427 97.571 ( 1.989 0.321 1.353) 2.427 97.665 ( -2.616 -0.544 -0.207) 2.680 97.665 ( -2.616 0.544 -0.207) 2.680 100.187 ( 1.199 -2.337 -0.082) 2.627 100.187 ( 1.199 2.337 -0.082) 2.627 100.341 ( -3.964 -0.442 -1.048) 4.124 100.341 ( -3.964 0.442 -1.048) 4.124 ======================= Grid point 87 (36/72) ======================= q-point: (-0.50 -0.50 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.631 ( -0.000 0.000 8.371) 8.371 4.631 ( 0.000 0.000 8.371) 8.371 4.836 ( -0.000 0.000 9.397) 9.397 4.836 ( 0.000 0.000 9.397) 9.397 4.973 ( 0.000 -0.000 8.038) 8.038 4.973 ( 0.000 0.000 8.038) 8.038 5.137 ( -0.000 0.000 6.044) 6.044 5.137 ( 0.000 0.000 6.044) 6.044 5.369 ( -0.000 0.000 3.161) 3.161 5.369 ( 0.000 0.000 3.161) 3.161 5.429 ( 0.000 -0.000 8.359) 8.359 5.429 ( 0.000 0.000 8.359) 8.359 5.895 ( 0.000 0.000 -0.479) 0.479 5.895 ( 0.000 0.000 -0.479) 0.479 6.121 ( 0.000 0.000 8.046) 8.046 6.121 ( 0.000 0.000 8.046) 8.046 6.286 ( -0.000 0.000 -9.738) 9.738 6.286 ( 0.000 0.000 -9.738) 9.738 6.350 ( -0.000 -0.000 -8.690) 8.690 6.350 ( 0.000 0.000 -8.690) 8.690 6.475 ( -0.000 -0.000 3.895) 3.895 6.475 ( 0.000 0.000 3.895) 3.895 6.609 ( 0.000 0.000 -7.961) 7.961 6.609 ( 0.000 0.000 -7.961) 7.961 6.658 ( -0.000 0.000 1.946) 1.946 6.658 ( -0.000 0.000 1.946) 1.946 7.126 ( 0.000 -0.000 -5.400) 5.400 7.126 ( -0.000 0.000 -5.400) 5.400 7.232 ( -0.000 -0.000 -2.304) 2.304 7.232 ( 0.000 0.000 -2.304) 2.304 7.257 ( -0.000 -0.000 -8.063) 8.063 7.257 ( 0.000 0.000 -8.063) 8.063 7.353 ( 0.000 0.000 0.937) 0.937 7.353 ( 0.000 0.000 0.937) 0.937 7.583 ( 0.000 0.000 2.933) 2.933 7.583 ( -0.000 0.000 2.933) 2.933 7.713 ( -0.000 0.000 2.531) 2.531 7.713 ( 0.000 -0.000 2.531) 2.531 7.964 ( 0.000 0.000 6.938) 6.938 7.964 ( 0.000 0.000 6.938) 6.938 8.052 ( 0.000 0.000 1.520) 1.520 8.052 ( -0.000 0.000 1.520) 1.520 8.329 ( -0.000 -0.000 -5.408) 5.408 8.329 ( 0.000 -0.000 -5.408) 5.408 8.379 ( 0.000 0.000 6.458) 6.458 8.379 ( 0.000 -0.000 6.458) 6.458 8.410 ( -0.000 0.000 6.184) 6.184 8.410 ( 0.000 0.000 6.184) 6.184 8.435 ( -0.000 -0.000 1.327) 1.327 8.435 ( 0.000 -0.000 1.327) 1.327 8.614 ( 0.000 -0.000 -2.320) 2.320 8.614 ( -0.000 0.000 -2.320) 2.320 8.938 ( -0.000 0.000 0.490) 0.490 8.938 ( 0.000 0.000 0.490) 0.490 9.178 ( 0.000 0.000 9.344) 9.344 9.178 ( 0.000 0.000 9.344) 9.344 9.416 ( 0.000 0.000 -5.078) 5.078 9.416 ( 0.000 0.000 -5.078) 5.078 9.511 ( -0.000 0.000 -2.305) 2.305 9.511 ( 0.000 0.000 -2.305) 2.305 9.525 ( -0.000 -0.000 -0.648) 0.648 9.525 ( 0.000 0.000 -0.648) 0.648 9.654 ( -0.000 0.000 2.086) 2.086 9.654 ( 0.000 0.000 2.086) 2.086 9.749 ( 0.000 -0.000 -10.505) 10.505 9.749 ( -0.000 0.000 -10.505) 10.505 9.849 ( 0.000 0.000 -5.331) 5.331 9.849 ( 0.000 0.000 -5.331) 5.331 10.093 ( -0.000 -0.000 2.342) 2.342 10.093 ( -0.000 0.000 2.342) 2.342 10.172 ( 0.000 -0.000 -1.587) 1.587 10.172 ( 0.000 -0.000 -1.587) 1.587 10.312 ( 0.000 0.000 0.519) 0.519 10.312 ( 0.000 0.000 0.519) 0.519 10.495 ( 0.000 0.000 6.814) 6.814 10.495 ( 0.000 0.000 6.814) 6.814 10.700 ( 0.000 -0.000 -9.409) 9.409 10.700 ( 0.000 0.000 -9.409) 9.409 10.745 ( -0.000 -0.000 -12.721) 12.721 10.745 ( 0.000 0.000 -12.721) 12.721 10.965 ( 0.000 0.000 -1.194) 1.194 10.965 ( 0.000 0.000 -1.194) 1.194 11.037 ( 0.000 -0.000 0.930) 0.930 11.037 ( 0.000 -0.000 0.930) 0.930 11.175 ( 0.000 -0.000 -3.786) 3.786 11.175 ( 0.000 0.000 -3.786) 3.786 11.352 ( 0.000 0.000 0.127) 0.127 11.352 ( 0.000 0.000 0.127) 0.127 11.469 ( 0.000 0.000 7.101) 7.101 11.469 ( 0.000 0.000 7.101) 7.101 11.518 ( -0.000 0.000 3.253) 3.253 11.518 ( 0.000 0.000 3.253) 3.253 12.018 ( -0.000 -0.000 1.656) 1.656 12.018 ( 0.000 0.000 1.656) 1.656 12.087 ( 0.000 0.000 -0.469) 0.469 12.087 ( 0.000 0.000 -0.469) 0.469 12.283 ( 0.000 0.000 6.186) 6.186 12.283 ( 0.000 0.000 6.186) 6.186 12.476 ( 0.000 0.000 -5.594) 5.594 12.476 ( 0.000 0.000 -5.594) 5.594 12.527 ( -0.000 -0.000 -4.775) 4.775 12.527 ( -0.000 0.000 -4.775) 4.775 12.882 ( -0.000 -0.000 -2.042) 2.042 12.882 ( 0.000 -0.000 -2.042) 2.042 12.885 ( -0.000 -0.000 -4.212) 4.212 12.885 ( 0.000 0.000 -4.212) 4.212 13.063 ( 0.000 -0.000 -10.730) 10.730 13.063 ( 0.000 0.000 -10.730) 10.730 13.109 ( 0.000 -0.000 4.257) 4.257 13.109 ( 0.000 0.000 4.257) 4.257 13.418 ( 0.000 -0.000 5.095) 5.095 13.418 ( 0.000 0.000 5.095) 5.095 13.666 ( 0.000 0.000 -6.087) 6.087 13.666 ( 0.000 0.000 -6.087) 6.087 13.716 ( 0.000 -0.000 -5.272) 5.272 13.716 ( -0.000 0.000 -5.272) 5.272 13.798 ( -0.000 0.000 -5.712) 5.712 13.798 ( 0.000 0.000 -5.712) 5.712 14.097 ( -0.000 -0.000 1.603) 1.603 14.097 ( -0.000 0.000 1.603) 1.603 14.125 ( 0.000 -0.000 0.579) 0.579 14.125 ( 0.000 0.000 0.579) 0.579 14.296 ( -0.000 -0.000 2.437) 2.437 14.296 ( 0.000 0.000 2.437) 2.437 14.353 ( 0.000 -0.000 0.781) 0.781 14.353 ( 0.000 0.000 0.781) 0.781 14.654 ( 0.000 -0.000 0.629) 0.629 14.654 ( 0.000 0.000 0.629) 0.629 14.850 ( -0.000 -0.000 -4.255) 4.255 14.850 ( 0.000 0.000 -4.255) 4.255 15.269 ( 0.000 0.000 10.711) 10.711 15.269 ( 0.000 0.000 10.711) 10.711 15.459 ( 0.000 0.000 -1.002) 1.002 15.459 ( 0.000 0.000 -1.002) 1.002 15.722 ( 0.000 0.000 5.644) 5.644 15.722 ( 0.000 0.000 5.644) 5.644 15.954 ( 0.000 0.000 4.392) 4.392 15.954 ( 0.000 0.000 4.392) 4.392 16.019 ( 0.000 0.000 4.319) 4.319 16.019 ( 0.000 0.000 4.319) 4.319 16.391 ( 0.000 0.000 -4.373) 4.373 16.391 ( 0.000 0.000 -4.373) 4.373 16.712 ( 0.000 0.000 6.478) 6.478 16.712 ( 0.000 0.000 6.478) 6.478 16.883 ( 0.000 -0.000 -2.309) 2.309 16.883 ( 0.000 0.000 -2.309) 2.309 16.897 ( -0.000 -0.000 -1.449) 1.449 16.897 ( 0.000 0.000 -1.449) 1.449 17.177 ( 0.000 -0.000 1.469) 1.469 17.177 ( 0.000 0.000 1.469) 1.469 17.578 ( 0.000 -0.000 -0.383) 0.383 17.578 ( 0.000 0.000 -0.383) 0.383 17.607 ( 0.000 -0.000 6.603) 6.603 17.607 ( 0.000 0.000 6.603) 6.603 17.672 ( -0.000 0.000 2.383) 2.383 17.672 ( 0.000 0.000 2.383) 2.383 17.691 ( 0.000 0.000 2.473) 2.473 17.691 ( 0.000 0.000 2.473) 2.473 17.854 ( 0.000 -0.000 3.572) 3.572 17.854 ( 0.000 0.000 3.572) 3.572 18.504 ( 0.000 0.000 -4.296) 4.296 18.504 ( 0.000 0.000 -4.296) 4.296 19.238 ( 0.000 0.000 -1.563) 1.563 19.238 ( 0.000 0.000 -1.563) 1.563 19.868 ( 0.000 0.000 -1.116) 1.116 19.868 ( 0.000 0.000 -1.116) 1.116 20.076 ( 0.000 0.000 5.232) 5.232 20.076 ( 0.000 0.000 5.232) 5.232 20.979 ( 0.000 0.000 -13.218) 13.218 20.979 ( 0.000 0.000 -13.218) 13.218 23.443 ( 0.000 0.000 0.054) 0.054 23.443 ( 0.000 0.000 0.054) 0.054 23.530 ( -0.000 0.000 1.377) 1.377 23.530 ( 0.000 0.000 1.377) 1.377 24.711 ( 0.000 0.000 0.950) 0.950 24.711 ( 0.000 0.000 0.950) 0.950 24.944 ( 0.000 0.000 -2.791) 2.791 24.944 ( 0.000 0.000 -2.791) 2.791 25.045 ( 0.000 -0.000 -1.748) 1.748 25.045 ( 0.000 0.000 -1.748) 1.748 25.625 ( 0.000 0.000 0.370) 0.370 25.625 ( 0.000 0.000 0.370) 0.370 25.725 ( 0.000 0.000 2.600) 2.600 25.725 ( 0.000 0.000 2.600) 2.600 26.047 ( 0.000 0.000 5.587) 5.587 26.047 ( 0.000 0.000 5.587) 5.587 26.626 ( -0.000 -0.000 -0.910) 0.910 26.626 ( 0.000 0.000 -0.910) 0.910 26.893 ( 0.000 0.000 -3.015) 3.015 26.893 ( 0.000 0.000 -3.015) 3.015 29.339 ( -0.000 0.000 0.170) 0.170 29.339 ( 0.000 0.000 0.170) 0.170 29.392 ( 0.000 0.000 -0.356) 0.356 29.392 ( 0.000 0.000 -0.356) 0.356 30.654 ( -0.000 0.000 -0.217) 0.217 30.654 ( 0.000 0.000 -0.217) 0.217 30.731 ( -0.000 -0.000 -0.477) 0.477 30.731 ( 0.000 0.000 -0.477) 0.477 35.287 ( -0.000 0.000 -0.451) 0.451 35.287 ( 0.000 0.000 -0.451) 0.451 35.292 ( -0.000 -0.000 -0.286) 0.286 35.292 ( 0.000 0.000 -0.286) 0.286 97.609 ( -0.000 0.000 0.529) 0.529 97.609 ( 0.000 0.000 0.529) 0.529 97.620 ( -0.000 0.000 0.437) 0.437 97.620 ( 0.000 0.000 0.437) 0.437 100.208 ( -0.000 -0.000 -0.267) 0.267 100.208 ( 0.000 0.000 -0.267) 0.267 100.293 ( 0.000 0.000 -0.654) 0.654 100.293 ( 0.000 0.000 -0.654) 0.654 ======================= Grid point 110 (37/72) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.934 ( 0.000 0.000 50.216) 50.216 1.971 ( 0.000 0.000 51.556) 51.556 3.276 ( 0.000 0.000 77.368) 77.368 3.735 ( 0.000 0.000 -16.573) 16.573 3.794 ( 0.000 0.000 -45.301) 45.301 4.004 ( 0.000 0.000 25.514) 25.514 4.071 ( 0.000 0.000 14.250) 14.250 4.144 ( 0.000 0.000 -3.512) 3.512 4.315 ( 0.000 0.000 37.839) 37.839 4.611 ( 0.000 0.000 -11.381) 11.381 4.902 ( 0.000 0.000 -30.918) 30.918 5.274 ( 0.000 0.000 -35.478) 35.478 5.604 ( 0.000 0.000 -18.957) 18.957 5.791 ( 0.000 0.000 5.151) 5.151 6.141 ( 0.000 0.000 -10.211) 10.211 6.188 ( 0.000 0.000 -41.652) 41.652 6.286 ( 0.000 0.000 18.989) 18.989 6.309 ( 0.000 0.000 5.968) 5.968 6.344 ( 0.000 0.000 4.734) 4.734 6.513 ( 0.000 0.000 19.125) 19.125 6.678 ( 0.000 0.000 -3.574) 3.574 6.799 ( 0.000 0.000 5.644) 5.644 6.809 ( 0.000 0.000 8.996) 8.996 6.935 ( 0.000 0.000 4.344) 4.344 7.053 ( 0.000 0.000 13.780) 13.780 7.086 ( 0.000 0.000 1.627) 1.627 7.194 ( 0.000 0.000 -4.032) 4.032 7.196 ( 0.000 0.000 -0.492) 0.492 7.267 ( 0.000 0.000 16.377) 16.377 7.375 ( 0.000 0.000 12.091) 12.091 7.424 ( 0.000 0.000 -17.754) 17.754 7.490 ( 0.000 0.000 -1.410) 1.410 7.523 ( 0.000 0.000 3.138) 3.138 7.587 ( 0.000 0.000 2.023) 2.023 7.685 ( 0.000 0.000 -11.400) 11.400 7.702 ( 0.000 0.000 8.888) 8.888 7.859 ( 0.000 0.000 9.441) 9.441 7.933 ( 0.000 0.000 0.765) 0.765 8.012 ( 0.000 0.000 0.677) 0.677 8.067 ( 0.000 0.000 -12.281) 12.281 8.145 ( 0.000 0.000 -2.052) 2.052 8.204 ( 0.000 0.000 -16.307) 16.307 8.205 ( 0.000 0.000 15.997) 15.997 8.322 ( 0.000 0.000 6.054) 6.054 8.339 ( 0.000 0.000 -8.518) 8.518 8.498 ( 0.000 0.000 8.896) 8.896 8.578 ( 0.000 0.000 3.951) 3.951 8.612 ( 0.000 0.000 -7.735) 7.735 8.614 ( 0.000 0.000 3.695) 3.695 8.733 ( 0.000 0.000 17.947) 17.947 8.762 ( 0.000 0.000 3.916) 3.916 8.765 ( 0.000 0.000 -3.307) 3.307 8.773 ( 0.000 0.000 7.534) 7.534 8.953 ( 0.000 0.000 -11.151) 11.151 9.125 ( 0.000 0.000 -8.324) 8.324 9.222 ( 0.000 0.000 -1.639) 1.639 9.237 ( 0.000 0.000 -4.704) 4.704 9.332 ( 0.000 0.000 1.085) 1.085 9.543 ( 0.000 0.000 2.300) 2.300 9.623 ( 0.000 0.000 -14.845) 14.845 9.705 ( 0.000 0.000 -13.903) 13.903 9.728 ( 0.000 0.000 -13.338) 13.338 9.855 ( 0.000 0.000 -14.753) 14.753 9.875 ( 0.000 0.000 -18.251) 18.251 9.987 ( 0.000 0.000 4.671) 4.671 10.049 ( 0.000 0.000 -2.668) 2.668 10.144 ( 0.000 0.000 -0.393) 0.393 10.167 ( 0.000 0.000 -3.144) 3.144 10.271 ( 0.000 0.000 -10.061) 10.061 10.390 ( 0.000 0.000 -0.404) 0.404 10.460 ( 0.000 0.000 -14.474) 14.474 10.473 ( 0.000 0.000 9.233) 9.233 10.476 ( 0.000 0.000 6.943) 6.943 10.497 ( 0.000 0.000 2.898) 2.898 10.589 ( 0.000 0.000 4.610) 4.610 10.700 ( 0.000 0.000 5.219) 5.219 10.727 ( 0.000 0.000 -0.189) 0.189 10.762 ( 0.000 0.000 -1.299) 1.299 10.856 ( 0.000 0.000 3.700) 3.700 10.970 ( 0.000 0.000 4.429) 4.429 10.980 ( 0.000 0.000 -0.006) 0.006 11.005 ( 0.000 0.000 6.687) 6.687 11.057 ( 0.000 0.000 11.192) 11.192 11.095 ( 0.000 0.000 -6.212) 6.212 11.128 ( 0.000 0.000 4.638) 4.638 11.165 ( 0.000 0.000 -9.901) 9.901 11.214 ( 0.000 0.000 0.357) 0.357 11.353 ( 0.000 0.000 -3.031) 3.031 11.466 ( 0.000 0.000 -6.586) 6.586 11.512 ( 0.000 0.000 -0.784) 0.784 11.631 ( 0.000 0.000 -0.950) 0.950 11.693 ( 0.000 0.000 -7.266) 7.266 11.789 ( 0.000 0.000 11.205) 11.205 11.898 ( 0.000 0.000 -3.971) 3.971 11.982 ( 0.000 0.000 -11.653) 11.653 12.251 ( 0.000 0.000 -6.396) 6.396 12.267 ( 0.000 0.000 2.894) 2.894 12.359 ( 0.000 0.000 -1.479) 1.479 12.419 ( 0.000 0.000 19.326) 19.326 12.562 ( 0.000 0.000 7.064) 7.064 12.689 ( 0.000 0.000 2.491) 2.491 12.693 ( 0.000 0.000 -1.513) 1.513 12.735 ( 0.000 0.000 -2.557) 2.557 12.744 ( 0.000 0.000 6.994) 6.994 12.799 ( 0.000 0.000 0.779) 0.779 12.902 ( 0.000 0.000 -4.506) 4.506 12.935 ( 0.000 0.000 3.613) 3.613 13.075 ( 0.000 0.000 8.383) 8.383 13.105 ( 0.000 0.000 -5.506) 5.506 13.355 ( 0.000 0.000 8.634) 8.634 13.357 ( 0.000 0.000 -3.423) 3.423 13.439 ( 0.000 0.000 -0.710) 0.710 13.569 ( 0.000 0.000 10.237) 10.237 13.643 ( 0.000 0.000 1.065) 1.065 13.718 ( 0.000 0.000 4.882) 4.882 13.773 ( 0.000 0.000 3.015) 3.015 13.849 ( 0.000 0.000 -10.990) 10.990 13.858 ( 0.000 0.000 -5.619) 5.619 13.881 ( 0.000 0.000 -11.522) 11.522 13.944 ( 0.000 0.000 7.220) 7.220 13.961 ( 0.000 0.000 -5.828) 5.828 14.275 ( 0.000 0.000 -5.739) 5.739 14.434 ( 0.000 0.000 -1.354) 1.354 14.624 ( 0.000 0.000 5.305) 5.305 14.645 ( 0.000 0.000 -5.783) 5.783 14.695 ( 0.000 0.000 2.646) 2.646 14.844 ( 0.000 0.000 0.339) 0.339 14.873 ( 0.000 0.000 4.909) 4.909 14.931 ( 0.000 0.000 1.291) 1.291 14.974 ( 0.000 0.000 -1.221) 1.221 15.045 ( 0.000 0.000 -12.456) 12.456 15.151 ( 0.000 0.000 -9.489) 9.489 15.320 ( 0.000 0.000 1.608) 1.608 15.347 ( 0.000 0.000 1.626) 1.626 15.758 ( 0.000 0.000 6.155) 6.155 15.808 ( 0.000 0.000 2.857) 2.857 15.879 ( 0.000 0.000 -0.947) 0.947 15.913 ( 0.000 0.000 7.992) 7.992 15.924 ( 0.000 0.000 -2.413) 2.413 16.079 ( 0.000 0.000 -1.478) 1.478 16.171 ( 0.000 0.000 7.618) 7.618 16.532 ( 0.000 0.000 -8.834) 8.834 16.533 ( 0.000 0.000 9.490) 9.490 16.866 ( 0.000 0.000 -0.264) 0.264 16.913 ( 0.000 0.000 -3.890) 3.890 16.996 ( 0.000 0.000 12.199) 12.199 17.072 ( 0.000 0.000 -5.410) 5.410 17.086 ( 0.000 0.000 -3.989) 3.989 17.096 ( 0.000 0.000 -3.513) 3.513 17.108 ( 0.000 0.000 4.811) 4.811 17.202 ( 0.000 0.000 -0.634) 0.634 17.211 ( 0.000 0.000 -0.793) 0.793 17.479 ( 0.000 0.000 11.155) 11.155 17.561 ( 0.000 0.000 2.936) 2.936 17.590 ( 0.000 0.000 1.785) 1.785 17.666 ( 0.000 0.000 -1.250) 1.250 17.683 ( 0.000 0.000 1.468) 1.468 17.708 ( 0.000 0.000 -9.223) 9.223 17.939 ( 0.000 0.000 13.339) 13.339 18.027 ( 0.000 0.000 9.420) 9.420 18.140 ( 0.000 0.000 8.214) 8.214 18.406 ( 0.000 0.000 -4.918) 4.918 18.446 ( 0.000 0.000 -8.512) 8.512 18.480 ( 0.000 0.000 -7.167) 7.167 19.860 ( 0.000 0.000 3.407) 3.407 19.919 ( 0.000 0.000 0.699) 0.699 20.372 ( 0.000 0.000 -2.647) 2.647 20.785 ( 0.000 0.000 -24.454) 24.454 20.846 ( 0.000 0.000 37.337) 37.337 21.976 ( 0.000 0.000 -20.323) 20.323 23.737 ( 0.000 0.000 0.550) 0.550 23.788 ( 0.000 0.000 -2.664) 2.664 23.906 ( 0.000 0.000 0.310) 0.310 23.908 ( 0.000 0.000 0.242) 0.242 24.631 ( 0.000 0.000 2.908) 2.908 24.687 ( 0.000 0.000 4.758) 4.758 24.711 ( 0.000 0.000 -1.233) 1.233 24.743 ( 0.000 0.000 1.420) 1.420 24.812 ( 0.000 0.000 -1.743) 1.743 24.879 ( 0.000 0.000 -4.108) 4.108 24.961 ( 0.000 0.000 0.695) 0.695 24.986 ( 0.000 0.000 -0.554) 0.554 25.491 ( 0.000 0.000 1.883) 1.883 25.612 ( 0.000 0.000 -3.890) 3.890 26.316 ( 0.000 0.000 2.334) 2.334 26.367 ( 0.000 0.000 0.280) 0.280 26.464 ( 0.000 0.000 3.668) 3.668 26.579 ( 0.000 0.000 -1.296) 1.296 27.340 ( 0.000 0.000 -1.884) 1.884 27.379 ( 0.000 0.000 -2.930) 2.930 29.264 ( 0.000 0.000 5.181) 5.181 29.389 ( 0.000 0.000 -1.852) 1.852 29.818 ( 0.000 0.000 4.803) 4.803 29.929 ( 0.000 0.000 4.619) 4.619 29.984 ( 0.000 0.000 -4.213) 4.213 30.008 ( 0.000 0.000 2.635) 2.635 30.097 ( 0.000 0.000 -3.899) 3.899 30.138 ( 0.000 0.000 -2.666) 2.666 35.384 ( 0.000 0.000 2.479) 2.479 35.503 ( 0.000 0.000 -3.169) 3.169 35.511 ( 0.000 0.000 -0.655) 0.655 35.525 ( 0.000 0.000 -1.559) 1.559 97.592 ( 0.000 0.000 5.289) 5.289 97.758 ( 0.000 0.000 -2.900) 2.900 97.758 ( 0.000 0.000 1.138) 1.138 97.803 ( 0.000 0.000 -0.950) 0.950 100.063 ( 0.000 0.000 3.721) 3.721 100.243 ( 0.000 0.000 -4.996) 4.996 100.491 ( 0.000 0.000 0.633) 0.633 100.592 ( 0.000 0.000 -4.729) 4.729 ======================= Grid point 111 (38/72) ======================= q-point: ( 0.10 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.152 ( 21.152 0.000 44.714) 49.464 2.193 ( 23.019 0.000 43.037) 48.806 3.687 ( 36.529 0.000 66.922) 76.243 3.842 ( 8.088 0.000 -32.582) 33.571 3.882 ( 9.125 0.000 -33.873) 35.080 4.088 ( 11.702 0.000 7.519) 13.909 4.144 ( 8.058 0.000 19.693) 21.278 4.199 ( 10.767 0.000 18.728) 21.602 4.554 ( 18.017 0.000 26.324) 31.899 4.644 ( 4.475 0.000 -8.794) 9.867 4.967 ( 5.306 0.000 -26.720) 27.242 5.323 ( 4.836 0.000 -30.432) 30.814 5.653 ( 4.515 0.000 -17.161) 17.745 5.911 ( 11.489 0.000 3.410) 11.984 6.159 ( 1.565 0.000 -8.152) 8.301 6.238 ( 3.022 0.000 -16.276) 16.554 6.270 ( -0.627 0.000 13.667) 13.681 6.316 ( 0.323 0.000 -4.292) 4.304 6.387 ( 2.904 0.000 9.228) 9.674 6.589 ( 6.573 0.000 14.145) 15.598 6.711 ( -0.704 0.000 8.801) 8.829 6.756 ( 0.016 0.000 -7.046) 7.046 6.780 ( -0.263 0.000 11.097) 11.100 6.865 ( -4.222 0.000 4.305) 6.030 7.039 ( -3.686 0.000 -2.585) 4.502 7.113 ( 0.584 0.000 0.652) 0.876 7.125 ( -10.263 0.000 12.108) 15.873 7.204 ( 1.539 0.000 5.888) 6.086 7.271 ( 4.641 0.000 -0.693) 4.693 7.364 ( -0.929 0.000 13.823) 13.854 7.389 ( -3.068 0.000 -10.435) 10.876 7.544 ( 0.496 0.000 -1.350) 1.439 7.547 ( 1.454 0.000 5.793) 5.973 7.616 ( 0.283 0.000 -2.264) 2.282 7.654 ( -1.520 0.000 -0.711) 1.678 7.759 ( 5.337 0.000 4.826) 7.195 7.815 ( -2.661 0.000 10.859) 11.181 7.874 ( -13.737 0.000 -4.962) 14.605 7.974 ( 5.671 0.000 -0.552) 5.698 7.984 ( -9.180 0.000 -5.107) 10.505 8.044 ( -10.286 0.000 7.634) 12.810 8.131 ( 0.456 0.000 -1.919) 1.973 8.172 ( -9.748 0.000 -3.696) 10.425 8.247 ( 2.660 0.000 -12.562) 12.840 8.379 ( -14.555 0.000 -4.868) 15.347 8.402 ( -7.944 0.000 -9.626) 12.481 8.437 ( -3.151 0.000 1.330) 3.420 8.543 ( 3.356 0.000 -12.854) 13.285 8.575 ( -0.802 0.000 9.572) 9.606 8.714 ( 1.315 0.000 6.501) 6.632 8.838 ( 10.569 0.000 7.440) 12.925 8.900 ( 1.283 0.000 -1.323) 1.843 8.974 ( 7.770 0.000 14.316) 16.289 8.988 ( 2.961 0.000 -10.351) 10.767 9.092 ( -2.032 0.000 0.860) 2.206 9.199 ( 0.639 0.000 1.102) 1.274 9.324 ( 5.858 0.000 -1.332) 6.008 9.420 ( 4.240 0.000 -4.560) 6.227 9.559 ( -6.246 0.000 -15.967) 17.145 9.564 ( 5.335 0.000 -2.839) 6.043 9.639 ( -9.454 0.000 -19.143) 21.350 9.716 ( -4.906 0.000 -14.059) 14.890 9.767 ( -2.978 0.000 -5.045) 5.858 9.839 ( 2.019 0.000 -8.690) 8.922 9.964 ( -2.473 0.000 3.659) 4.416 10.011 ( -5.538 0.000 0.992) 5.626 10.175 ( -2.159 0.000 0.322) 2.183 10.188 ( 1.931 0.000 -1.999) 2.780 10.229 ( -2.314 0.000 -8.455) 8.766 10.255 ( -14.848 0.000 5.633) 15.880 10.350 ( -10.008 0.000 -11.501) 15.245 10.374 ( -4.687 0.000 4.733) 6.661 10.416 ( -7.510 0.000 -2.090) 7.796 10.479 ( -2.164 0.000 0.516) 2.225 10.598 ( 0.521 0.000 1.719) 1.796 10.623 ( -0.556 0.000 4.150) 4.187 10.725 ( -9.887 0.000 4.430) 10.834 10.737 ( -1.128 0.000 2.114) 2.396 10.797 ( -3.175 0.000 1.671) 3.588 10.900 ( -1.407 0.000 -2.077) 2.508 10.901 ( -2.714 0.000 -3.388) 4.341 10.994 ( 1.150 0.000 5.209) 5.335 11.010 ( -12.203 0.000 -1.056) 12.248 11.039 ( -0.340 0.000 6.582) 6.591 11.157 ( 1.023 0.000 0.536) 1.155 11.167 ( 3.273 0.000 -18.193) 18.486 11.199 ( 1.957 0.000 -2.930) 3.524 11.384 ( 0.550 0.000 -6.421) 6.444 11.430 ( 1.799 0.000 3.845) 4.245 11.586 ( 6.801 0.000 1.309) 6.926 11.781 ( 4.025 0.000 11.382) 12.073 11.805 ( 8.233 0.000 5.125) 9.698 11.986 ( 0.899 0.000 -9.507) 9.549 12.049 ( 5.431 0.000 3.366) 6.390 12.068 ( 16.843 0.000 -2.779) 17.070 12.170 ( -11.430 0.000 3.191) 11.867 12.214 ( -2.180 0.000 1.908) 2.898 12.349 ( 2.104 0.000 -7.254) 7.553 12.380 ( 1.554 0.000 4.372) 4.640 12.447 ( 1.133 0.000 0.056) 1.134 12.622 ( -2.163 0.000 0.854) 2.325 12.679 ( -2.978 0.000 0.731) 3.067 12.752 ( -0.245 0.000 1.681) 1.699 12.786 ( 4.276 0.000 1.285) 4.465 12.886 ( 5.891 0.000 1.813) 6.164 12.939 ( -1.483 0.000 2.405) 2.825 12.939 ( 2.085 0.000 1.973) 2.871 13.090 ( -1.058 0.000 0.324) 1.107 13.097 ( 1.554 0.000 5.422) 5.641 13.226 ( -8.259 0.000 4.190) 9.261 13.325 ( 0.553 0.000 8.553) 8.571 13.444 ( -2.794 0.000 2.723) 3.902 13.667 ( -3.605 0.000 1.032) 3.750 13.672 ( 3.555 0.000 0.004) 3.555 13.696 ( -3.364 0.000 2.099) 3.965 13.721 ( -2.260 0.000 -10.135) 10.384 13.736 ( 3.161 0.000 4.077) 5.159 13.910 ( 0.674 0.000 -6.468) 6.503 13.921 ( 2.285 0.000 -3.143) 3.885 13.984 ( 4.620 0.000 0.947) 4.716 14.023 ( 4.383 0.000 -7.704) 8.863 14.161 ( -4.542 0.000 -0.578) 4.578 14.492 ( -7.578 0.000 1.421) 7.710 14.517 ( -18.362 0.000 0.807) 18.380 14.601 ( -4.226 0.000 -3.187) 5.293 14.611 ( 3.305 0.000 -3.078) 4.516 14.803 ( 3.719 0.000 2.681) 4.584 14.813 ( -5.162 0.000 8.004) 9.525 14.963 ( -6.835 0.000 -0.415) 6.848 15.016 ( -1.896 0.000 -6.827) 7.086 15.054 ( 0.755 0.000 -6.676) 6.719 15.200 ( -1.542 0.000 -9.476) 9.601 15.363 ( 8.475 0.000 4.370) 9.535 15.473 ( 20.066 0.000 0.476) 20.071 15.788 ( 1.198 0.000 2.311) 2.603 15.843 ( 1.902 0.000 1.958) 2.730 15.854 ( -1.316 0.000 2.284) 2.636 15.899 ( -2.298 0.000 -0.058) 2.299 15.910 ( 0.547 0.000 2.019) 2.092 16.046 ( -0.679 0.000 -3.627) 3.690 16.207 ( 3.631 0.000 5.073) 6.238 16.483 ( -4.845 0.000 8.126) 9.461 16.496 ( -3.005 0.000 -6.511) 7.171 16.710 ( -11.063 0.000 -2.298) 11.299 16.886 ( -2.814 0.000 1.676) 3.275 16.921 ( -0.613 0.000 1.563) 1.679 16.985 ( 0.498 0.000 -3.317) 3.355 17.026 ( -2.476 0.000 -1.964) 3.161 17.155 ( 0.310 0.000 -0.838) 0.894 17.168 ( -0.017 0.000 -2.955) 2.955 17.368 ( 11.318 0.000 2.622) 11.618 17.389 ( 9.523 0.000 1.545) 9.648 17.437 ( -1.519 0.000 7.112) 7.272 17.551 ( -1.542 0.000 1.681) 2.281 17.568 ( 0.572 0.000 3.292) 3.342 17.692 ( -0.529 0.000 -6.045) 6.068 17.752 ( 6.669 0.000 4.722) 8.171 17.789 ( 6.906 0.000 2.578) 7.371 17.948 ( 0.403 0.000 9.816) 9.824 17.970 ( -3.739 0.000 8.666) 9.438 18.101 ( -1.521 0.000 4.078) 4.352 18.360 ( -3.069 0.000 -8.570) 9.103 18.682 ( 21.816 0.000 -5.055) 22.394 18.727 ( 18.245 0.000 -6.325) 19.310 19.858 ( -0.145 0.000 3.196) 3.199 19.919 ( 0.073 0.000 0.308) 0.316 20.337 ( -3.231 0.000 -2.585) 4.138 20.702 ( -8.506 0.000 -21.334) 22.967 20.728 ( -10.546 0.000 31.686) 33.395 21.534 ( -32.570 0.000 -5.049) 32.959 23.681 ( -4.722 0.000 0.348) 4.735 23.708 ( -6.865 0.000 -1.570) 7.043 23.887 ( -2.768 0.000 0.234) 2.778 23.893 ( -2.905 0.000 -0.273) 2.917 24.657 ( 1.334 0.000 3.410) 3.661 24.684 ( 0.171 0.000 4.782) 4.785 24.776 ( 2.903 0.000 -2.395) 3.764 24.863 ( -0.049 0.000 -2.766) 2.766 24.884 ( 5.215 0.000 -0.671) 5.258 24.935 ( 6.369 0.000 -2.772) 6.946 25.074 ( 11.113 0.000 0.687) 11.134 25.182 ( 25.815 0.000 -7.785) 26.963 25.500 ( 0.947 0.000 1.851) 2.079 25.616 ( 0.364 0.000 -3.653) 3.671 26.286 ( -2.762 0.000 1.239) 3.027 26.298 ( -4.867 0.000 0.868) 4.944 26.526 ( 4.265 0.000 2.852) 5.131 26.579 ( -0.237 0.000 0.734) 0.772 27.266 ( -10.514 0.000 -0.437) 10.523 27.289 ( -4.969 0.000 -3.207) 5.914 29.264 ( 0.059 0.000 4.849) 4.850 29.386 ( -0.329 0.000 -1.895) 1.923 29.750 ( -13.066 0.000 5.212) 14.067 29.756 ( -5.444 0.000 2.882) 6.160 30.007 ( 7.268 0.000 5.648) 9.204 30.063 ( 5.482 0.000 3.048) 6.272 30.184 ( 7.242 0.000 -3.214) 7.923 30.342 ( 11.912 0.000 -12.333) 17.146 35.370 ( -1.325 0.000 2.354) 2.702 35.485 ( -1.800 0.000 -2.654) 3.207 35.491 ( -1.949 0.000 -1.321) 2.355 35.496 ( -2.755 0.000 -1.243) 3.023 97.589 ( -0.293 0.000 4.988) 4.997 97.703 ( -4.247 0.000 3.663) 5.608 97.747 ( -1.110 0.000 -2.757) 2.972 97.788 ( -1.475 0.000 -1.282) 1.954 100.070 ( 0.700 0.000 3.687) 3.753 100.258 ( 0.877 0.000 -5.819) 5.885 100.483 ( -0.940 0.000 -0.129) 0.949 100.553 ( -3.716 0.000 -3.777) 5.298 ======================= Grid point 112 (39/72) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.701 ( 33.559 0.000 34.407) 48.063 2.815 ( 38.065 0.000 29.692) 48.275 4.031 ( 13.442 0.000 -29.521) 32.437 4.137 ( 17.160 0.000 -26.328) 31.426 4.298 ( 21.465 0.000 16.318) 26.964 4.435 ( 16.212 0.000 9.988) 19.042 4.483 ( 22.123 0.000 16.405) 27.542 4.717 ( 48.157 0.000 33.533) 58.682 4.765 ( 9.981 0.000 -4.139) 10.805 4.974 ( 21.862 0.000 22.245) 31.190 5.084 ( 7.072 0.000 -19.326) 20.580 5.472 ( 11.127 0.000 -16.006) 19.494 5.759 ( 5.755 0.000 -12.623) 13.874 6.113 ( 3.775 0.000 6.007) 7.094 6.154 ( -6.024 0.000 6.549) 8.899 6.215 ( -4.160 0.000 5.879) 7.202 6.275 ( -3.840 0.000 2.105) 4.379 6.293 ( 2.968 0.000 0.860) 3.090 6.453 ( 4.456 0.000 9.336) 10.345 6.633 ( -6.850 0.000 8.282) 10.748 6.639 ( -0.865 0.000 6.630) 6.686 6.721 ( -6.884 0.000 0.045) 6.884 6.835 ( -2.680 0.000 0.078) 2.681 6.889 ( 6.581 0.000 4.167) 7.789 6.925 ( -2.795 0.000 7.327) 7.842 7.062 ( -3.477 0.000 0.173) 3.482 7.130 ( 12.651 0.000 -17.779) 21.820 7.131 ( -8.032 0.000 0.525) 8.049 7.258 ( -11.153 0.000 2.686) 11.472 7.298 ( -2.498 0.000 8.649) 9.002 7.414 ( 4.583 0.000 -6.342) 7.825 7.500 ( -2.563 0.000 17.679) 17.864 7.513 ( -1.406 0.000 12.710) 12.787 7.620 ( -2.829 0.000 -6.024) 6.655 7.637 ( -1.443 0.000 11.100) 11.194 7.665 ( -3.906 0.000 2.951) 4.895 7.716 ( -6.734 0.000 -10.642) 12.594 7.727 ( -12.088 0.000 -4.934) 13.056 7.844 ( -6.280 0.000 5.005) 8.031 7.881 ( 4.212 0.000 -6.146) 7.451 7.998 ( -17.716 0.000 -11.472) 21.106 8.069 ( -2.945 0.000 -4.199) 5.128 8.168 ( -6.757 0.000 -10.529) 12.511 8.176 ( 10.166 0.000 3.599) 10.785 8.249 ( 0.096 0.000 -0.244) 0.262 8.273 ( 1.943 0.000 -4.025) 4.470 8.471 ( 2.717 0.000 -2.131) 3.453 8.557 ( 2.949 0.000 -1.695) 3.401 8.630 ( -9.482 0.000 0.602) 9.501 8.683 ( 6.799 0.000 -11.750) 13.575 8.812 ( -8.250 0.000 6.091) 10.255 8.855 ( -9.004 0.000 -5.234) 10.415 9.071 ( -0.004 0.000 17.226) 17.226 9.083 ( 7.495 0.000 -16.446) 18.073 9.126 ( 4.220 0.000 4.914) 6.477 9.219 ( -13.326 0.000 -14.007) 19.333 9.312 ( 7.459 0.000 0.592) 7.483 9.419 ( 4.034 0.000 3.206) 5.153 9.471 ( -5.747 0.000 -14.606) 15.696 9.538 ( -9.370 0.000 -8.750) 12.820 9.574 ( -0.971 0.000 3.355) 3.493 9.731 ( 0.031 0.000 -7.802) 7.802 9.778 ( 1.013 0.000 -2.597) 2.787 9.809 ( -7.244 0.000 -4.196) 8.371 9.850 ( -0.802 0.000 -5.351) 5.411 9.854 ( -7.538 0.000 2.828) 8.051 9.966 ( -8.385 0.000 3.920) 9.256 10.080 ( -9.839 0.000 -7.271) 12.234 10.122 ( -2.721 0.000 -6.803) 7.327 10.189 ( -5.020 0.000 -5.256) 7.268 10.257 ( -1.691 0.000 -3.782) 4.143 10.294 ( -0.065 0.000 -7.715) 7.715 10.363 ( 0.732 0.000 3.174) 3.257 10.464 ( -10.809 0.000 1.783) 10.955 10.488 ( -1.924 0.000 3.462) 3.961 10.491 ( -10.981 0.000 0.072) 10.982 10.640 ( 0.421 0.000 2.781) 2.812 10.714 ( -3.218 0.000 2.898) 4.331 10.745 ( -0.303 0.000 3.900) 3.912 10.812 ( -3.247 0.000 0.506) 3.286 10.856 ( -2.235 0.000 -0.134) 2.239 10.930 ( -4.713 0.000 -2.642) 5.403 10.976 ( 4.787 0.000 -5.640) 7.398 11.044 ( 1.572 0.000 5.668) 5.882 11.153 ( -1.663 0.000 -4.139) 4.461 11.195 ( -1.573 0.000 -1.838) 2.419 11.312 ( 5.353 0.000 -10.927) 12.167 11.387 ( -0.409 0.000 -2.593) 2.625 11.469 ( 2.765 0.000 10.669) 11.021 11.673 ( 0.896 0.000 -1.119) 1.433 11.822 ( 0.860 0.000 11.247) 11.280 11.917 ( -2.149 0.000 4.188) 4.708 11.928 ( -0.288 0.000 6.953) 6.959 12.066 ( 9.220 0.000 0.187) 9.222 12.072 ( -0.161 0.000 -4.317) 4.320 12.151 ( -4.439 0.000 -2.632) 5.161 12.278 ( 1.486 0.000 -2.815) 3.184 12.419 ( 2.704 0.000 -8.112) 8.550 12.438 ( 2.921 0.000 -0.461) 2.957 12.557 ( 5.873 0.000 -5.742) 8.214 12.623 ( -4.541 0.000 1.830) 4.896 12.653 ( 0.509 0.000 -0.720) 0.882 12.777 ( 3.429 0.000 3.568) 4.949 12.788 ( -5.611 0.000 2.789) 6.265 12.880 ( -5.620 0.000 -1.693) 5.869 12.897 ( -1.609 0.000 5.185) 5.429 13.029 ( 6.556 0.000 8.503) 10.737 13.072 ( -5.020 0.000 4.380) 6.662 13.122 ( 1.263 0.000 0.260) 1.289 13.131 ( 5.390 0.000 1.435) 5.578 13.406 ( -0.937 0.000 2.450) 2.623 13.451 ( 10.105 0.000 6.351) 11.935 13.476 ( -15.399 0.000 1.816) 15.505 13.571 ( -3.369 0.000 -5.169) 6.170 13.630 ( -1.199 0.000 -2.976) 3.208 13.792 ( 0.013 0.000 -8.147) 8.147 13.832 ( 2.713 0.000 1.958) 3.345 13.924 ( 0.160 0.000 -6.087) 6.089 13.987 ( 3.832 0.000 3.266) 5.035 14.050 ( -4.361 0.000 -2.891) 5.232 14.098 ( 5.503 0.000 -3.279) 6.406 14.149 ( 1.273 0.000 -1.073) 1.665 14.187 ( -10.216 0.000 3.013) 10.651 14.299 ( -6.035 0.000 1.381) 6.191 14.481 ( -8.295 0.000 -0.127) 8.296 14.528 ( -7.986 0.000 -2.170) 8.275 14.680 ( -8.115 0.000 6.423) 10.349 14.757 ( -8.260 0.000 3.848) 9.112 14.882 ( -2.403 0.000 -2.618) 3.553 15.023 ( 3.693 0.000 -6.879) 7.808 15.115 ( 5.760 0.000 -3.423) 6.701 15.117 ( -0.863 0.000 -2.638) 2.776 15.527 ( 4.081 0.000 8.333) 9.279 15.679 ( -5.118 0.000 4.433) 6.771 15.804 ( -1.738 0.000 0.014) 1.738 15.856 ( 0.207 0.000 -3.924) 3.929 15.935 ( 3.187 0.000 3.183) 4.504 15.946 ( 13.660 0.000 -0.088) 13.660 15.958 ( 5.571 0.000 2.370) 6.054 16.101 ( 5.447 0.000 -6.929) 8.813 16.321 ( 6.701 0.000 -1.341) 6.833 16.399 ( 0.223 0.000 6.937) 6.940 16.412 ( -4.770 0.000 -2.456) 5.365 16.605 ( -0.021 0.000 0.363) 0.364 16.850 ( -3.040 0.000 1.417) 3.354 16.883 ( 0.758 0.000 -2.063) 2.198 16.997 ( -1.576 0.000 -0.218) 1.591 17.055 ( 0.388 0.000 -6.650) 6.661 17.117 ( -1.730 0.000 0.901) 1.950 17.163 ( 2.278 0.000 -2.191) 3.160 17.427 ( 0.652 0.000 2.911) 2.983 17.474 ( -0.450 0.000 2.074) 2.122 17.556 ( 6.675 0.000 1.570) 6.857 17.568 ( 2.993 0.000 0.859) 3.114 17.583 ( 1.019 0.000 3.670) 3.809 17.687 ( 0.004 0.000 -3.537) 3.537 17.858 ( 2.425 0.000 12.613) 12.844 17.909 ( 4.154 0.000 8.461) 9.426 17.934 ( 0.053 0.000 6.474) 6.475 17.949 ( 0.421 0.000 3.820) 3.843 18.101 ( 2.941 0.000 -0.719) 3.028 18.323 ( -0.515 0.000 -8.072) 8.088 19.095 ( 16.324 0.000 -5.506) 17.228 19.106 ( 18.760 0.000 -7.039) 20.037 19.854 ( -0.325 0.000 2.699) 2.718 19.920 ( -0.174 0.000 -0.456) 0.488 20.278 ( -1.328 0.000 -2.091) 2.477 20.470 ( -13.700 0.000 -9.135) 16.466 20.507 ( -10.563 0.000 19.574) 22.242 21.016 ( -18.600 0.000 -5.452) 19.382 23.574 ( -5.946 0.000 0.400) 5.959 23.587 ( -4.366 0.000 0.070) 4.367 23.795 ( -6.482 0.000 0.086) 6.483 23.797 ( -6.064 0.000 0.072) 6.065 24.674 ( 0.292 0.000 3.734) 3.745 24.709 ( 2.466 0.000 3.216) 4.053 24.816 ( 0.913 0.000 -3.102) 3.234 24.841 ( -0.475 0.000 -3.046) 3.082 24.964 ( 2.514 0.000 0.807) 2.641 25.015 ( 2.660 0.000 -2.016) 3.338 25.394 ( 17.440 0.000 3.187) 17.729 25.522 ( 1.969 0.000 1.353) 2.389 25.625 ( 0.673 0.000 -2.845) 2.924 25.641 ( 16.522 0.000 -9.716) 19.167 26.214 ( -3.111 0.000 0.539) 3.157 26.228 ( -2.664 0.000 -0.375) 2.691 26.564 ( -1.164 0.000 4.955) 5.089 26.604 ( 3.342 0.000 3.592) 4.906 27.028 ( -12.239 0.000 0.611) 12.254 27.159 ( -7.796 0.000 -6.217) 9.972 29.270 ( 0.611 0.000 3.916) 3.963 29.377 ( -0.515 0.000 -1.867) 1.937 29.545 ( -7.861 0.000 6.079) 9.937 29.632 ( -6.710 0.000 0.485) 6.727 30.190 ( 10.694 0.000 6.154) 12.338 30.211 ( 9.354 0.000 3.454) 9.971 30.357 ( 9.612 0.000 -3.752) 10.318 30.546 ( 8.924 0.000 -12.683) 15.508 35.336 ( -2.035 0.000 1.965) 2.829 35.427 ( -3.984 0.000 -0.570) 4.025 35.435 ( -3.157 0.000 -1.638) 3.556 35.440 ( -3.163 0.000 -2.230) 3.870 97.583 ( -0.237 0.000 4.171) 4.178 97.635 ( -2.388 0.000 4.635) 5.214 97.717 ( -1.818 0.000 -2.337) 2.961 97.751 ( -2.130 0.000 -1.724) 2.740 100.089 ( 1.229 0.000 3.381) 3.598 100.262 ( -0.450 0.000 -5.113) 5.133 100.450 ( -2.488 0.000 -1.366) 2.838 100.462 ( -5.138 0.000 -1.881) 5.472 ======================= Grid point 113 (40/72) ======================= q-point: ( 0.30 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.419 ( 38.978 0.000 25.332) 46.486 3.595 ( 40.090 0.000 22.922) 46.180 4.386 ( 21.778 0.000 -15.789) 26.899 4.527 ( 21.910 0.000 -18.069) 28.400 4.667 ( 16.530 0.000 11.656) 20.226 4.823 ( 22.868 0.000 -6.133) 23.676 4.834 ( 12.278 0.000 2.022) 12.443 5.027 ( 13.396 0.000 4.961) 14.285 5.307 ( 18.785 0.000 -5.119) 19.470 5.373 ( 17.549 0.000 13.924) 22.402 5.501 ( 20.943 0.000 -0.337) 20.946 5.774 ( 5.687 0.000 1.246) 5.822 5.924 ( 22.428 0.000 11.536) 25.221 5.960 ( -9.348 0.000 13.195) 16.170 6.097 ( -8.549 0.000 6.422) 10.692 6.121 ( 3.177 0.000 9.539) 10.054 6.155 ( -9.164 0.000 8.216) 12.307 6.212 ( -10.128 0.000 1.826) 10.292 6.393 ( -9.142 0.000 1.311) 9.236 6.444 ( -8.925 0.000 2.143) 9.179 6.625 ( -5.147 0.000 4.903) 7.108 6.706 ( -3.863 0.000 -7.187) 8.159 6.737 ( -4.897 0.000 2.771) 5.627 6.809 ( 1.387 0.000 -3.736) 3.985 6.914 ( 0.106 0.000 5.926) 5.927 7.033 ( -6.377 0.000 3.107) 7.093 7.066 ( -2.249 0.000 11.233) 11.456 7.097 ( -0.037 0.000 3.259) 3.259 7.201 ( -6.403 0.000 4.015) 7.558 7.289 ( -12.473 0.000 -4.391) 13.223 7.382 ( 4.216 0.000 -2.369) 4.836 7.405 ( -8.229 0.000 -0.794) 8.268 7.499 ( 4.850 0.000 -11.043) 12.061 7.505 ( -11.851 0.000 -4.718) 12.756 7.532 ( -10.144 0.000 -5.621) 11.597 7.624 ( -2.981 0.000 -3.489) 4.590 7.632 ( -10.694 0.000 2.905) 11.082 7.705 ( 2.326 0.000 -0.604) 2.403 7.789 ( 4.194 0.000 -3.937) 5.753 7.910 ( 6.495 0.000 9.957) 11.888 7.950 ( 13.199 0.000 6.981) 14.932 8.000 ( -4.820 0.000 -3.868) 6.180 8.009 ( 2.098 0.000 -12.476) 12.651 8.204 ( -10.516 0.000 14.987) 18.308 8.296 ( 1.623 0.000 9.782) 9.916 8.337 ( 5.867 0.000 -9.369) 11.055 8.503 ( -0.519 0.000 -0.568) 0.769 8.513 ( 0.045 0.000 -14.153) 14.153 8.595 ( -9.307 0.000 1.539) 9.433 8.707 ( 3.563 0.000 9.683) 10.318 8.727 ( 4.449 0.000 -6.999) 8.294 8.861 ( 9.503 0.000 -10.984) 14.525 8.976 ( -2.680 0.000 2.971) 4.001 9.027 ( -8.387 0.000 -7.031) 10.944 9.159 ( -18.556 0.000 3.195) 18.829 9.192 ( 3.541 0.000 -3.980) 5.328 9.279 ( 1.947 0.000 -6.143) 6.444 9.283 ( -2.602 0.000 -10.399) 10.720 9.466 ( -8.369 0.000 -1.016) 8.431 9.496 ( -4.775 0.000 -3.413) 5.870 9.570 ( -0.567 0.000 -4.080) 4.119 9.579 ( 8.147 0.000 -1.141) 8.227 9.662 ( -4.740 0.000 2.091) 5.181 9.763 ( -4.564 0.000 -0.907) 4.653 9.788 ( -2.749 0.000 -4.466) 5.245 9.823 ( -5.895 0.000 -2.252) 6.310 9.930 ( -3.112 0.000 -3.328) 4.556 9.981 ( -9.501 0.000 -2.997) 9.962 10.013 ( 6.437 0.000 -6.643) 9.250 10.207 ( 3.602 0.000 -9.750) 10.394 10.213 ( -8.081 0.000 -1.310) 8.186 10.227 ( -3.061 0.000 -1.896) 3.601 10.273 ( -1.503 0.000 1.702) 2.270 10.365 ( 0.300 0.000 -1.000) 1.044 10.406 ( -0.436 0.000 4.278) 4.300 10.451 ( -0.649 0.000 1.522) 1.655 10.627 ( -6.703 0.000 0.074) 6.704 10.641 ( -0.995 0.000 -0.141) 1.005 10.754 ( -1.855 0.000 -0.648) 1.965 10.759 ( -7.916 0.000 -5.714) 9.763 10.767 ( 0.201 0.000 6.008) 6.011 10.857 ( -2.377 0.000 1.570) 2.848 11.031 ( -1.996 0.000 -9.406) 9.616 11.085 ( -4.717 0.000 -5.119) 6.961 11.140 ( 7.025 0.000 4.034) 8.100 11.203 ( 3.752 0.000 1.191) 3.936 11.317 ( -0.673 0.000 4.011) 4.067 11.386 ( 1.198 0.000 2.885) 3.124 11.580 ( 5.670 0.000 5.167) 7.671 11.620 ( -3.833 0.000 4.412) 5.845 11.810 ( -2.476 0.000 5.487) 6.020 11.893 ( -6.091 0.000 4.537) 7.595 11.982 ( 3.192 0.000 -4.404) 5.439 12.035 ( -1.626 0.000 2.763) 3.206 12.078 ( -2.195 0.000 -13.033) 13.217 12.172 ( -1.899 0.000 -2.891) 3.459 12.342 ( 8.252 0.000 -5.415) 9.870 12.412 ( -3.865 0.000 -7.369) 8.321 12.464 ( -1.056 0.000 1.021) 1.469 12.524 ( -5.202 0.000 6.381) 8.233 12.539 ( -7.463 0.000 0.140) 7.464 12.661 ( -4.503 0.000 -0.895) 4.591 12.699 ( 7.943 0.000 -2.052) 8.204 12.702 ( -10.342 0.000 -0.647) 10.363 12.842 ( -5.098 0.000 3.507) 6.188 12.876 ( 5.874 0.000 4.025) 7.121 12.995 ( -2.612 0.000 2.830) 3.851 13.054 ( -8.806 0.000 -0.523) 8.822 13.169 ( 2.455 0.000 8.496) 8.844 13.220 ( 0.019 0.000 -3.241) 3.241 13.226 ( -0.813 0.000 -3.640) 3.730 13.426 ( 4.459 0.000 -0.596) 4.498 13.610 ( 4.557 0.000 1.986) 4.971 13.612 ( 5.012 0.000 -2.449) 5.578 13.674 ( 5.560 0.000 -3.253) 6.442 13.727 ( -5.457 0.000 -5.881) 8.023 13.812 ( -10.581 0.000 0.475) 10.591 13.839 ( -1.877 0.000 -1.218) 2.238 13.907 ( -9.124 0.000 -1.351) 9.223 13.947 ( -1.207 0.000 -7.392) 7.490 14.074 ( -3.874 0.000 1.390) 4.116 14.196 ( -4.281 0.000 -0.717) 4.340 14.232 ( 5.601 0.000 0.511) 5.624 14.257 ( 7.985 0.000 0.446) 7.997 14.437 ( 6.080 0.000 3.820) 7.181 14.449 ( -5.678 0.000 2.783) 6.324 14.605 ( 3.887 0.000 2.262) 4.497 14.644 ( -4.429 0.000 6.001) 7.458 14.734 ( -9.044 0.000 -4.130) 9.942 15.066 ( -0.952 0.000 -9.415) 9.463 15.205 ( 6.086 0.000 0.977) 6.164 15.222 ( 3.961 0.000 -1.672) 4.300 15.569 ( 3.113 0.000 10.629) 11.076 15.586 ( -2.406 0.000 7.185) 7.577 15.808 ( 2.076 0.000 -2.200) 3.025 15.826 ( -1.643 0.000 -2.734) 3.190 15.970 ( -0.221 0.000 0.798) 0.828 15.995 ( -0.079 0.000 1.245) 1.248 16.111 ( -5.603 0.000 -0.299) 5.611 16.140 ( 5.005 0.000 -1.088) 5.121 16.345 ( 0.067 0.000 8.308) 8.309 16.429 ( 5.880 0.000 1.438) 6.053 16.606 ( 12.905 0.000 2.685) 13.182 16.635 ( 0.932 0.000 3.752) 3.866 16.823 ( 1.044 0.000 1.060) 1.487 16.888 ( -0.145 0.000 -2.778) 2.782 16.922 ( -4.874 0.000 -4.621) 6.716 17.002 ( -3.381 0.000 -5.840) 6.748 17.158 ( 5.034 0.000 3.640) 6.212 17.252 ( 4.957 0.000 -3.009) 5.799 17.434 ( -0.123 0.000 -0.504) 0.519 17.445 ( -1.721 0.000 0.779) 1.889 17.611 ( 1.895 0.000 3.114) 3.645 17.617 ( 1.756 0.000 0.047) 1.757 17.640 ( 2.249 0.000 1.876) 2.928 17.687 ( -0.116 0.000 0.478) 0.491 17.875 ( 0.163 0.000 10.025) 10.026 17.910 ( -2.151 0.000 8.172) 8.450 17.918 ( -1.271 0.000 6.023) 6.155 17.979 ( 0.474 0.000 4.585) 4.609 18.234 ( 9.035 0.000 -1.312) 9.130 18.357 ( 4.026 0.000 -5.642) 6.931 19.275 ( 1.688 0.000 -3.834) 4.189 19.331 ( 3.068 0.000 -7.010) 7.652 19.845 ( -0.340 0.000 1.781) 1.813 19.904 ( -1.404 0.000 -0.925) 1.681 20.254 ( -6.928 0.000 2.347) 7.315 20.292 ( -2.872 0.000 12.245) 12.578 20.386 ( 3.767 0.000 -7.402) 8.306 20.779 ( -6.712 0.000 -14.270) 15.769 23.488 ( -2.953 0.000 1.429) 3.280 23.520 ( -2.628 0.000 0.037) 2.628 23.667 ( -5.884 0.000 0.342) 5.894 23.672 ( -6.044 0.000 0.173) 6.046 24.680 ( 0.575 0.000 3.034) 3.088 24.770 ( 3.584 0.000 1.657) 3.949 24.793 ( -1.814 0.000 -2.317) 2.943 24.873 ( 2.223 0.000 -3.017) 3.747 24.994 ( 0.630 0.000 0.647) 0.903 25.043 ( 0.228 0.000 -1.782) 1.796 25.562 ( 2.195 0.000 1.448) 2.629 25.621 ( 2.549 0.000 -1.020) 2.746 25.673 ( 6.557 0.000 2.013) 6.859 25.816 ( 2.433 0.000 -4.427) 5.052 26.192 ( -1.157 0.000 -0.201) 1.174 26.194 ( 0.568 0.000 0.447) 0.723 26.550 ( 0.262 0.000 8.107) 8.111 26.627 ( -1.946 0.000 8.126) 8.356 26.855 ( -3.843 0.000 -5.230) 6.491 27.007 ( -7.155 0.000 -8.566) 11.161 29.288 ( 1.182 0.000 2.647) 2.898 29.367 ( -0.547 0.000 -1.558) 1.651 29.434 ( -3.774 0.000 3.439) 5.106 29.512 ( -5.291 0.000 -0.895) 5.366 30.387 ( 9.321 0.000 4.313) 10.271 30.422 ( 11.195 0.000 4.014) 11.892 30.530 ( 7.414 0.000 -3.220) 8.083 30.689 ( 5.607 0.000 -9.194) 10.769 35.297 ( -1.784 0.000 1.312) 2.214 35.352 ( -3.449 0.000 -0.053) 3.449 35.369 ( -3.389 0.000 -1.400) 3.667 35.374 ( -3.328 0.000 -1.802) 3.785 97.583 ( 0.235 0.000 3.021) 3.030 97.609 ( -0.406 0.000 3.476) 3.500 97.680 ( -1.938 0.000 -1.657) 2.550 97.708 ( -2.166 0.000 -1.555) 2.666 100.119 ( 1.783 0.000 2.608) 3.160 100.248 ( -0.868 0.000 -3.507) 3.613 100.367 ( -4.373 0.000 -0.563) 4.409 100.388 ( -3.681 0.000 -1.744) 4.074 ======================= Grid point 114 (41/72) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.189 ( 38.675 0.000 17.668) 42.520 4.334 ( 34.116 0.000 19.460) 39.276 4.813 ( 19.566 0.000 -2.552) 19.731 4.924 ( 14.497 0.000 -3.907) 15.015 4.991 ( 18.545 0.000 2.110) 18.665 4.995 ( 4.015 0.000 6.036) 7.250 5.189 ( 8.880 0.000 -6.068) 10.755 5.207 ( 5.711 0.000 2.024) 6.059 5.610 ( 5.559 0.000 10.591) 11.962 5.658 ( -1.764 0.000 0.936) 1.997 5.670 ( -13.743 0.000 9.111) 16.489 5.733 ( 11.337 0.000 1.969) 11.506 5.825 ( 1.817 0.000 9.977) 10.141 5.877 ( -8.043 0.000 1.810) 8.244 5.912 ( -9.762 0.000 3.576) 10.397 6.056 ( 2.914 0.000 -4.738) 5.563 6.072 ( 5.910 0.000 6.409) 8.719 6.262 ( -5.163 0.000 3.356) 6.158 6.318 ( -2.592 0.000 3.141) 4.073 6.494 ( -4.025 0.000 -4.368) 5.939 6.546 ( 0.563 0.000 7.251) 7.273 6.589 ( 5.853 0.000 -3.977) 7.076 6.686 ( -3.463 0.000 3.429) 4.873 6.764 ( -16.270 0.000 -2.005) 16.393 6.830 ( -10.046 0.000 -3.594) 10.670 6.859 ( -3.271 0.000 -7.362) 8.056 7.031 ( -5.148 0.000 -4.024) 6.534 7.059 ( -7.119 0.000 1.936) 7.377 7.110 ( -5.247 0.000 -3.191) 6.141 7.203 ( 4.687 0.000 7.403) 8.762 7.270 ( -2.892 0.000 -1.861) 3.439 7.295 ( -8.001 0.000 -1.759) 8.192 7.373 ( -5.200 0.000 -7.577) 9.190 7.405 ( -4.933 0.000 -4.957) 6.994 7.424 ( -0.545 0.000 0.653) 0.851 7.481 ( 8.465 0.000 7.520) 11.323 7.627 ( -13.101 0.000 -6.303) 14.538 7.702 ( 4.828 0.000 2.627) 5.497 7.750 ( 4.834 0.000 9.116) 10.318 7.962 ( 0.512 0.000 2.304) 2.360 7.969 ( -11.538 0.000 10.487) 15.592 8.097 ( 3.424 0.000 2.129) 4.032 8.109 ( 10.840 0.000 6.742) 12.765 8.369 ( 0.986 0.000 -16.159) 16.189 8.394 ( -1.113 0.000 -5.567) 5.677 8.400 ( -3.748 0.000 -0.015) 3.748 8.439 ( 12.543 0.000 -0.969) 12.580 8.441 ( 7.747 0.000 -0.922) 7.802 8.641 ( -4.550 0.000 4.244) 6.222 8.696 ( -4.472 0.000 0.893) 4.560 8.768 ( 1.939 0.000 4.940) 5.307 8.874 ( 3.826 0.000 2.583) 4.616 8.919 ( 8.930 0.000 1.891) 9.128 9.034 ( 4.529 0.000 0.977) 4.633 9.089 ( 3.608 0.000 0.973) 3.737 9.216 ( -4.114 0.000 -5.118) 6.566 9.263 ( -5.123 0.000 -11.348) 12.450 9.301 ( 1.397 0.000 -17.249) 17.305 9.325 ( -3.282 0.000 -2.537) 4.148 9.430 ( 3.632 0.000 -4.627) 5.882 9.573 ( -3.095 0.000 -0.289) 3.108 9.627 ( 2.067 0.000 -1.300) 2.441 9.660 ( -2.829 0.000 -0.642) 2.901 9.664 ( -6.323 0.000 1.211) 6.438 9.719 ( -0.072 0.000 -1.435) 1.436 9.739 ( -4.101 0.000 -1.768) 4.466 9.834 ( -3.983 0.000 0.761) 4.055 9.894 ( -0.524 0.000 -0.290) 0.598 10.015 ( -3.364 0.000 -2.181) 4.009 10.026 ( -7.880 0.000 6.982) 10.529 10.254 ( -0.325 0.000 4.307) 4.319 10.294 ( 2.192 0.000 -0.204) 2.201 10.312 ( 7.814 0.000 -1.815) 8.022 10.400 ( 0.844 0.000 -2.634) 2.766 10.405 ( 0.523 0.000 1.491) 1.580 10.462 ( 1.286 0.000 -3.913) 4.119 10.506 ( -4.224 0.000 -2.205) 4.765 10.573 ( -6.826 0.000 -7.700) 10.290 10.625 ( -2.361 0.000 -0.501) 2.414 10.676 ( -3.417 0.000 4.204) 5.418 10.783 ( -0.240 0.000 -4.861) 4.867 10.810 ( -2.595 0.000 1.873) 3.201 10.941 ( -4.809 0.000 -8.418) 9.695 10.996 ( -4.090 0.000 -9.666) 10.496 11.270 ( 1.852 0.000 -0.733) 1.992 11.281 ( 6.086 0.000 0.672) 6.123 11.331 ( 1.608 0.000 6.300) 6.502 11.435 ( 2.145 0.000 2.273) 3.125 11.574 ( -0.258 0.000 9.134) 9.138 11.585 ( -7.139 0.000 5.304) 8.894 11.696 ( -8.865 0.000 2.254) 9.147 11.723 ( -5.160 0.000 3.344) 6.149 11.968 ( -4.378 0.000 -0.527) 4.409 11.982 ( -3.030 0.000 -10.666) 11.088 12.073 ( 0.104 0.000 -15.192) 15.192 12.103 ( -3.298 0.000 -7.481) 8.175 12.333 ( -2.761 0.000 4.068) 4.916 12.352 ( -6.892 0.000 2.853) 7.459 12.428 ( -0.259 0.000 1.565) 1.586 12.449 ( -1.711 0.000 -1.254) 2.121 12.498 ( 3.755 0.000 3.912) 5.422 12.608 ( -0.488 0.000 -4.975) 4.998 12.654 ( 3.732 0.000 1.456) 4.006 12.705 ( -7.281 0.000 4.267) 8.439 12.878 ( 7.504 0.000 -1.900) 7.741 12.905 ( -2.188 0.000 -0.833) 2.341 12.965 ( -0.640 0.000 -0.818) 1.038 13.020 ( 3.351 0.000 -1.135) 3.538 13.094 ( -3.118 0.000 -0.044) 3.118 13.191 ( -1.359 0.000 -5.291) 5.462 13.372 ( 8.655 0.000 0.408) 8.665 13.525 ( 2.896 0.000 -1.298) 3.173 13.573 ( -5.356 0.000 2.778) 6.033 13.628 ( -2.978 0.000 -4.694) 5.559 13.654 ( -0.465 0.000 -5.343) 5.363 13.702 ( -5.858 0.000 -2.772) 6.480 13.752 ( 1.386 0.000 -6.074) 6.230 13.769 ( -4.711 0.000 -3.211) 5.701 13.801 ( 3.596 0.000 -0.381) 3.617 13.932 ( -2.154 0.000 -6.795) 7.129 14.061 ( 2.349 0.000 3.164) 3.940 14.156 ( 0.908 0.000 -0.355) 0.974 14.295 ( -3.262 0.000 6.584) 7.348 14.383 ( 3.865 0.000 0.651) 3.919 14.396 ( 1.865 0.000 1.607) 2.462 14.496 ( -1.210 0.000 0.024) 1.210 14.603 ( 0.913 0.000 2.556) 2.714 14.658 ( 4.147 0.000 3.717) 5.569 14.702 ( 3.517 0.000 2.813) 4.503 14.962 ( -8.813 0.000 -9.061) 12.640 15.268 ( 1.450 0.000 -0.179) 1.461 15.279 ( 1.561 0.000 0.214) 1.576 15.604 ( 3.397 0.000 9.756) 10.330 15.685 ( 7.082 0.000 9.031) 11.477 15.812 ( -0.059 0.000 -0.214) 0.221 15.856 ( -4.417 0.000 -3.847) 5.857 15.901 ( 1.839 0.000 1.578) 2.423 15.984 ( -0.219 0.000 0.829) 0.858 16.043 ( -1.463 0.000 6.061) 6.236 16.159 ( -3.574 0.000 -1.077) 3.733 16.360 ( 2.728 0.000 6.109) 6.690 16.490 ( 0.064 0.000 -0.191) 0.201 16.619 ( -1.308 0.000 3.546) 3.780 16.775 ( -2.310 0.000 0.753) 2.430 16.816 ( 1.676 0.000 1.423) 2.198 16.891 ( 3.173 0.000 -0.096) 3.175 16.928 ( 2.809 0.000 -3.056) 4.151 16.958 ( -0.464 0.000 0.999) 1.101 17.272 ( 5.777 0.000 3.551) 6.781 17.332 ( 2.996 0.000 -2.672) 4.015 17.415 ( -1.290 0.000 -0.254) 1.315 17.423 ( -0.922 0.000 -1.847) 2.064 17.640 ( 0.811 0.000 0.887) 1.202 17.651 ( 1.841 0.000 1.448) 2.342 17.660 ( 0.304 0.000 2.593) 2.610 17.684 ( -0.129 0.000 2.245) 2.248 17.841 ( -2.111 0.000 7.832) 8.112 17.879 ( -2.570 0.000 4.445) 5.134 17.912 ( 1.361 0.000 6.269) 6.415 17.966 ( -1.229 0.000 4.266) 4.440 18.409 ( 8.071 0.000 0.238) 8.075 18.458 ( 5.282 0.000 -1.965) 5.635 19.220 ( -4.989 0.000 -2.818) 5.730 19.266 ( -6.893 0.000 -4.968) 8.496 19.849 ( 0.608 0.000 0.203) 0.641 19.878 ( -1.031 0.000 -1.077) 1.491 20.179 ( -1.975 0.000 4.663) 5.064 20.204 ( -3.669 0.000 7.146) 8.033 20.551 ( 8.778 0.000 -11.966) 14.840 20.715 ( -1.231 0.000 -16.410) 16.456 23.447 ( -1.450 0.000 1.181) 1.870 23.472 ( -2.406 0.000 -0.104) 2.408 23.584 ( -2.499 0.000 0.850) 2.639 23.584 ( -2.607 0.000 0.947) 2.773 24.699 ( 1.275 0.000 2.061) 2.423 24.759 ( -1.629 0.000 -0.826) 1.826 24.841 ( 3.532 0.000 -0.368) 3.551 24.907 ( 0.958 0.000 -3.182) 3.323 24.996 ( -0.131 0.000 0.146) 0.196 25.030 ( -1.281 0.000 -1.347) 1.859 25.605 ( 2.045 0.000 1.145) 2.344 25.639 ( 0.353 0.000 -0.478) 0.594 25.754 ( 1.897 0.000 0.855) 2.081 25.810 ( -1.606 0.000 -1.733) 2.363 26.168 ( -1.212 0.000 3.010) 3.245 26.191 ( -1.333 0.000 3.422) 3.673 26.571 ( 0.982 0.000 6.195) 6.272 26.572 ( -1.728 0.000 5.167) 5.448 26.848 ( 1.164 0.000 -5.492) 5.614 26.901 ( -3.419 0.000 -7.778) 8.496 29.314 ( 1.446 0.000 1.337) 1.970 29.356 ( -0.610 0.000 -0.888) 1.077 29.387 ( -1.145 0.000 1.094) 1.583 29.428 ( -3.237 0.000 -1.081) 3.413 30.547 ( 6.696 0.000 2.662) 7.206 30.618 ( 8.318 0.000 2.003) 8.556 30.632 ( 2.822 0.000 -1.624) 3.256 30.758 ( 1.328 0.000 -5.025) 5.197 35.272 ( -0.641 0.000 0.475) 0.798 35.300 ( -1.710 0.000 0.021) 1.710 35.310 ( -2.523 0.000 -1.050) 2.733 35.317 ( -2.350 0.000 -1.028) 2.565 97.593 ( 0.845 0.000 1.724) 1.920 97.613 ( 0.712 0.000 1.959) 2.085 97.644 ( -1.682 0.000 -0.699) 1.822 97.668 ( -1.917 0.000 -0.741) 2.056 100.160 ( 2.440 0.000 1.472) 2.850 100.233 ( -0.667 0.000 -1.858) 1.974 100.298 ( -2.571 0.000 -0.384) 2.599 100.314 ( -3.539 0.000 -1.350) 3.788 ======================= Grid point 115 (42/72) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.794 ( -3.085 0.000 10.132) 10.591 4.794 ( 3.085 0.000 10.132) 10.591 4.960 ( -8.179 0.000 9.172) 12.289 4.960 ( 8.179 0.000 9.172) 12.289 5.100 ( -4.565 0.000 5.129) 6.867 5.100 ( 4.565 0.000 5.129) 6.867 5.250 ( -0.395 0.000 4.970) 4.985 5.250 ( 0.395 0.000 4.970) 4.985 5.507 ( -7.609 0.000 10.399) 12.886 5.507 ( 7.609 0.000 10.399) 12.886 5.641 ( -4.759 0.000 5.907) 7.585 5.641 ( 4.759 0.000 5.907) 7.585 5.843 ( -2.126 0.000 -1.905) 2.855 5.843 ( 2.126 0.000 -1.905) 2.855 6.130 ( -1.088 0.000 -2.469) 2.698 6.130 ( 1.088 0.000 -2.469) 2.698 6.209 ( -20.502 0.000 -3.787) 20.848 6.209 ( 20.502 0.000 -3.787) 20.848 6.349 ( -13.161 0.000 2.843) 13.464 6.349 ( 13.161 0.000 2.843) 13.464 6.498 ( -6.775 0.000 -3.494) 7.623 6.498 ( 6.775 0.000 -3.494) 7.623 6.652 ( -17.800 0.000 -1.399) 17.855 6.652 ( 17.800 0.000 -1.399) 17.855 6.752 ( -2.159 0.000 -3.047) 3.734 6.752 ( 2.159 0.000 -3.047) 3.734 6.964 ( -1.161 0.000 -2.339) 2.612 6.964 ( 1.161 0.000 -2.339) 2.612 7.041 ( -0.542 0.000 -6.420) 6.443 7.041 ( 0.542 0.000 -6.420) 6.443 7.342 ( -8.903 0.000 0.505) 8.917 7.342 ( 8.903 0.000 0.505) 8.917 7.360 ( -1.724 0.000 -3.163) 3.602 7.360 ( 1.724 0.000 -3.163) 3.602 7.407 ( -6.079 0.000 0.731) 6.123 7.407 ( 6.079 0.000 0.731) 6.123 7.742 ( -10.355 0.000 8.075) 13.131 7.742 ( 10.355 0.000 8.075) 13.131 7.792 ( -1.553 0.000 3.200) 3.556 7.792 ( 1.553 0.000 3.200) 3.556 8.064 ( -7.078 0.000 8.442) 11.017 8.064 ( 7.078 0.000 8.442) 11.017 8.295 ( -4.529 0.000 -6.330) 7.784 8.295 ( 4.529 0.000 -6.330) 7.784 8.375 ( -2.620 0.000 1.447) 2.993 8.375 ( 2.620 0.000 1.447) 2.993 8.511 ( -8.098 0.000 1.700) 8.275 8.511 ( 8.098 0.000 1.700) 8.275 8.582 ( -6.694 0.000 -4.679) 8.167 8.582 ( 6.694 0.000 -4.679) 8.167 8.971 ( -0.523 0.000 0.431) 0.678 8.971 ( 0.523 0.000 0.431) 0.678 9.022 ( -3.378 0.000 2.080) 3.967 9.022 ( 3.378 0.000 2.080) 3.967 9.175 ( -2.721 0.000 3.380) 4.339 9.175 ( 2.721 0.000 3.380) 4.339 9.244 ( -7.917 0.000 -12.149) 14.501 9.244 ( 7.917 0.000 -12.149) 14.501 9.363 ( -10.445 0.000 -4.322) 11.304 9.363 ( 10.445 0.000 -4.322) 11.304 9.592 ( -2.425 0.000 -0.321) 2.446 9.592 ( 2.425 0.000 -0.321) 2.446 9.638 ( -1.170 0.000 -1.934) 2.260 9.638 ( 1.170 0.000 -1.934) 2.260 9.679 ( -2.239 0.000 1.545) 2.720 9.679 ( 2.239 0.000 1.545) 2.720 9.851 ( -3.553 0.000 -1.628) 3.908 9.851 ( 3.553 0.000 -1.628) 3.908 9.966 ( -1.754 0.000 7.749) 7.945 9.966 ( 1.754 0.000 7.749) 7.945 10.311 ( -6.520 0.000 3.765) 7.529 10.311 ( 6.520 0.000 3.765) 7.529 10.351 ( -3.201 0.000 3.060) 4.428 10.351 ( 3.201 0.000 3.060) 4.428 10.426 ( -2.201 0.000 0.557) 2.271 10.426 ( 2.201 0.000 0.557) 2.271 10.501 ( -1.086 0.000 -8.256) 8.328 10.501 ( 1.086 0.000 -8.256) 8.328 10.663 ( -3.826 0.000 -1.726) 4.197 10.663 ( 3.826 0.000 -1.726) 4.197 10.756 ( -2.075 0.000 -6.779) 7.090 10.756 ( 2.075 0.000 -6.779) 7.090 10.922 ( -2.668 0.000 -8.916) 9.306 10.922 ( 2.668 0.000 -8.916) 9.306 11.292 ( -1.676 0.000 -0.021) 1.676 11.292 ( 1.676 0.000 -0.021) 1.676 11.407 ( -4.398 0.000 2.779) 5.203 11.407 ( 4.398 0.000 2.779) 5.203 11.530 ( -3.663 0.000 1.342) 3.901 11.530 ( 3.663 0.000 1.342) 3.901 11.642 ( -4.162 0.000 6.282) 7.536 11.642 ( 4.162 0.000 6.282) 7.536 11.932 ( -0.821 0.000 -4.558) 4.631 11.932 ( 0.821 0.000 -4.558) 4.631 12.069 ( -0.289 0.000 -12.158) 12.162 12.069 ( 0.289 0.000 -12.158) 12.162 12.305 ( -0.332 0.000 6.610) 6.618 12.305 ( 0.332 0.000 6.610) 6.618 12.428 ( -0.756 0.000 1.311) 1.514 12.428 ( 0.756 0.000 1.311) 1.514 12.570 ( -4.188 0.000 1.522) 4.456 12.570 ( 4.188 0.000 1.522) 4.456 12.668 ( -3.076 0.000 -3.048) 4.330 12.668 ( 3.076 0.000 -3.048) 4.330 12.902 ( -1.952 0.000 -3.606) 4.100 12.902 ( 1.952 0.000 -3.606) 4.100 12.997 ( -2.046 0.000 1.799) 2.725 12.997 ( 2.046 0.000 1.799) 2.725 13.157 ( -3.875 0.000 -3.860) 5.469 13.157 ( 3.875 0.000 -3.860) 5.469 13.474 ( -1.457 0.000 2.637) 3.013 13.474 ( 1.457 0.000 2.637) 3.013 13.604 ( -2.254 0.000 -3.065) 3.804 13.604 ( 2.254 0.000 -3.065) 3.804 13.628 ( -1.959 0.000 -8.167) 8.399 13.628 ( 1.959 0.000 -8.167) 8.399 13.737 ( -1.355 0.000 -4.843) 5.030 13.737 ( 1.355 0.000 -4.843) 5.030 13.870 ( -3.183 0.000 -2.228) 3.885 13.870 ( 3.183 0.000 -2.228) 3.885 14.132 ( -4.144 0.000 2.415) 4.797 14.132 ( 4.144 0.000 2.415) 4.797 14.310 ( -5.468 0.000 0.531) 5.494 14.310 ( 5.468 0.000 0.531) 5.494 14.468 ( -3.455 0.000 6.485) 7.349 14.468 ( 3.455 0.000 6.485) 7.349 14.695 ( -4.973 0.000 -1.035) 5.079 14.695 ( 4.973 0.000 -1.035) 5.079 14.782 ( -7.907 0.000 -0.763) 7.944 14.782 ( 7.907 0.000 -0.763) 7.944 15.288 ( -0.408 0.000 0.338) 0.530 15.288 ( 0.408 0.000 0.338) 0.530 15.697 ( -5.871 0.000 6.742) 8.940 15.697 ( 5.871 0.000 6.742) 8.940 15.799 ( -1.750 0.000 2.464) 3.022 15.799 ( 1.750 0.000 2.464) 3.022 16.003 ( -2.094 0.000 2.592) 3.332 16.003 ( 2.094 0.000 2.592) 3.332 16.032 ( -7.981 0.000 1.087) 8.055 16.032 ( 7.981 0.000 1.087) 8.055 16.444 ( -4.543 0.000 2.541) 5.205 16.444 ( 4.543 0.000 2.541) 5.205 16.653 ( -5.413 0.000 -1.798) 5.703 16.653 ( 5.413 0.000 -1.798) 5.703 16.882 ( -2.356 0.000 -2.237) 3.249 16.882 ( 2.356 0.000 -2.237) 3.249 16.972 ( -0.577 0.000 6.355) 6.381 16.972 ( 0.577 0.000 6.355) 6.381 17.352 ( -1.765 0.000 1.193) 2.131 17.352 ( 1.765 0.000 1.193) 2.131 17.404 ( -0.630 0.000 -1.971) 2.070 17.404 ( 0.630 0.000 -1.971) 2.070 17.654 ( -0.574 0.000 2.030) 2.109 17.654 ( 0.574 0.000 2.030) 2.109 17.678 ( -0.602 0.000 1.857) 1.952 17.678 ( 0.602 0.000 1.857) 1.952 17.833 ( -1.465 0.000 5.141) 5.346 17.833 ( 1.465 0.000 5.141) 5.346 17.940 ( -1.419 0.000 4.891) 5.093 17.940 ( 1.419 0.000 4.891) 5.093 18.510 ( -1.229 0.000 0.335) 1.274 18.510 ( 1.229 0.000 0.335) 1.274 19.167 ( -1.286 0.000 -3.475) 3.705 19.167 ( 1.286 0.000 -3.475) 3.705 19.862 ( -0.681 0.000 -0.709) 0.983 19.862 ( 0.681 0.000 -0.709) 0.983 20.163 ( -0.514 0.000 4.069) 4.101 20.163 ( 0.514 0.000 4.069) 4.101 20.676 ( -3.781 0.000 -14.251) 14.744 20.676 ( 3.781 0.000 -14.251) 14.744 23.437 ( -0.726 0.000 0.254) 0.769 23.437 ( 0.726 0.000 0.254) 0.769 23.562 ( -0.014 0.000 1.352) 1.352 23.562 ( 0.014 0.000 1.352) 1.352 24.728 ( -1.595 0.000 0.822) 1.795 24.728 ( 1.595 0.000 0.822) 1.795 24.898 ( -1.953 0.000 -2.472) 3.151 24.898 ( 1.953 0.000 -2.472) 3.151 25.004 ( -1.088 0.000 -0.531) 1.210 25.004 ( 1.088 0.000 -0.531) 1.210 25.635 ( -0.908 0.000 0.570) 1.072 25.635 ( 0.908 0.000 0.570) 1.072 25.780 ( -1.257 0.000 -0.624) 1.403 25.780 ( 1.257 0.000 -0.624) 1.403 26.162 ( -0.852 0.000 5.022) 5.093 26.162 ( 0.852 0.000 5.022) 5.093 26.570 ( -0.720 0.000 3.023) 3.108 26.570 ( 0.720 0.000 3.023) 3.108 26.867 ( -0.766 0.000 -5.193) 5.249 26.867 ( 0.766 0.000 -5.193) 5.249 29.340 ( -1.102 0.000 0.150) 1.112 29.340 ( 1.102 0.000 0.150) 1.112 29.386 ( -1.047 0.000 -0.418) 1.127 29.386 ( 1.047 0.000 -0.418) 1.127 30.637 ( -2.302 0.000 0.529) 2.362 30.637 ( 2.302 0.000 0.529) 2.362 30.736 ( -3.651 0.000 -1.164) 3.832 30.736 ( 3.651 0.000 -1.164) 3.832 35.275 ( -0.976 0.000 -0.385) 1.049 35.275 ( 0.976 0.000 -0.385) 1.049 35.288 ( -0.487 0.000 -0.347) 0.598 35.288 ( 0.487 0.000 -0.347) 0.598 97.615 ( -1.304 0.000 0.463) 1.384 97.615 ( 1.304 0.000 0.463) 1.384 97.635 ( -1.447 0.000 0.492) 1.528 97.635 ( 1.447 0.000 0.492) 1.528 100.209 ( -2.199 0.000 0.078) 2.200 100.209 ( 2.199 0.000 0.078) 2.200 100.271 ( -0.213 0.000 -0.973) 0.996 100.271 ( 0.213 0.000 -0.973) 0.996 ======================= Grid point 121 (43/72) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.170 ( 0.000 20.986 46.409) 50.933 2.194 ( 0.000 26.103 41.502) 49.028 3.268 ( 0.000 -28.976 27.720) 40.100 3.466 ( 0.000 -38.337 20.691) 43.565 3.653 ( 0.000 30.412 72.072) 78.226 3.883 ( 0.000 8.011 -33.815) 34.751 3.997 ( 0.000 7.676 -39.205) 39.949 4.466 ( 0.000 -11.868 -20.565) 23.743 4.635 ( 0.000 31.556 17.448) 36.058 4.646 ( 0.000 -17.109 -31.464) 35.815 4.872 ( 0.000 29.290 21.360) 36.251 5.488 ( 0.000 8.505 -18.415) 20.284 5.621 ( 0.000 -49.085 24.556) 54.884 5.663 ( 0.000 -13.119 2.960) 13.449 5.701 ( 0.000 5.174 -5.481) 7.537 6.077 ( 0.000 -7.898 -9.424) 12.296 6.136 ( 0.000 -10.786 13.638) 17.388 6.229 ( 0.000 -1.523 -25.373) 25.419 6.364 ( 0.000 2.112 3.510) 4.096 6.378 ( 0.000 6.781 0.301) 6.788 6.685 ( 0.000 -7.970 8.635) 11.751 6.809 ( 0.000 -8.897 -2.920) 9.364 6.911 ( 0.000 5.932 -7.803) 9.802 6.918 ( 0.000 6.616 2.131) 6.951 6.961 ( 0.000 -3.889 4.035) 5.604 7.053 ( 0.000 -2.721 -4.231) 5.030 7.208 ( 0.000 3.773 -2.825) 4.713 7.273 ( 0.000 -1.966 11.009) 11.183 7.312 ( 0.000 -9.557 -20.642) 22.747 7.424 ( 0.000 7.763 5.638) 9.594 7.425 ( 0.000 -2.355 -14.937) 15.122 7.495 ( 0.000 5.009 7.267) 8.826 7.512 ( 0.000 -10.696 -18.038) 20.971 7.586 ( 0.000 -2.214 0.275) 2.231 7.762 ( 0.000 5.278 7.940) 9.534 7.837 ( 0.000 8.652 2.306) 8.954 7.883 ( 0.000 14.673 18.187) 23.368 7.959 ( 0.000 2.397 0.538) 2.457 8.007 ( 0.000 -0.081 -1.370) 1.373 8.046 ( 0.000 -5.348 -7.273) 9.027 8.191 ( 0.000 1.315 9.183) 9.277 8.201 ( 0.000 5.462 -2.204) 5.890 8.277 ( 0.000 -0.415 4.412) 4.432 8.370 ( 0.000 19.431 2.958) 19.655 8.403 ( 0.000 -0.441 2.766) 2.801 8.483 ( 0.000 6.948 6.843) 9.752 8.529 ( 0.000 -6.761 9.323) 11.516 8.595 ( 0.000 -7.498 15.516) 17.233 8.632 ( 0.000 -4.308 7.475) 8.628 8.675 ( 0.000 6.021 -4.072) 7.269 8.692 ( 0.000 -0.284 -5.304) 5.311 8.867 ( 0.000 -2.574 -3.342) 4.219 8.886 ( 0.000 4.140 8.874) 9.792 9.005 ( 0.000 -0.903 -1.031) 1.370 9.014 ( 0.000 5.865 -4.742) 7.542 9.190 ( 0.000 3.813 -11.045) 11.685 9.373 ( 0.000 7.771 -3.581) 8.556 9.453 ( 0.000 7.728 -3.212) 8.369 9.554 ( 0.000 1.819 1.705) 2.493 9.662 ( 0.000 -4.620 -11.641) 12.524 9.703 ( 0.000 6.682 -10.126) 12.132 9.770 ( 0.000 4.631 -13.423) 14.200 9.835 ( 0.000 -4.735 -17.469) 18.099 9.856 ( 0.000 0.076 -14.188) 14.189 9.973 ( 0.000 -1.576 3.946) 4.249 10.023 ( 0.000 -2.689 -2.570) 3.720 10.124 ( 0.000 -2.388 -0.691) 2.485 10.153 ( 0.000 -1.275 -3.428) 3.657 10.269 ( 0.000 -3.360 -3.492) 4.846 10.338 ( 0.000 -7.070 1.470) 7.222 10.361 ( 0.000 -5.109 -1.374) 5.290 10.413 ( 0.000 -3.220 -4.143) 5.247 10.478 ( 0.000 0.105 6.961) 6.962 10.498 ( 0.000 -0.456 -3.487) 3.517 10.639 ( 0.000 -2.855 4.826) 5.608 10.685 ( 0.000 -1.593 2.660) 3.101 10.725 ( 0.000 1.209 0.044) 1.209 10.762 ( 0.000 3.837 3.608) 5.267 10.820 ( 0.000 -5.076 -0.396) 5.091 10.826 ( 0.000 -4.647 1.774) 4.974 10.915 ( 0.000 -6.864 6.568) 9.501 10.922 ( 0.000 -6.217 -0.491) 6.236 11.072 ( 0.000 -1.160 -1.267) 1.717 11.090 ( 0.000 2.709 2.125) 3.443 11.123 ( 0.000 -3.112 -7.677) 8.284 11.212 ( 0.000 2.764 1.910) 3.360 11.333 ( 0.000 10.042 1.897) 10.220 11.354 ( 0.000 1.773 -5.394) 5.678 11.477 ( 0.000 4.358 -2.465) 5.007 11.621 ( 0.000 -1.434 -6.983) 7.129 11.655 ( 0.000 6.996 -2.494) 7.428 11.690 ( 0.000 -1.750 -0.888) 1.963 11.814 ( 0.000 3.512 6.356) 7.262 11.900 ( 0.000 0.217 -1.953) 1.965 11.989 ( 0.000 1.304 -7.747) 7.856 12.194 ( 0.000 -3.316 -4.818) 5.849 12.258 ( 0.000 -8.594 5.422) 10.162 12.264 ( 0.000 -0.144 0.857) 0.869 12.382 ( 0.000 -4.222 3.955) 5.785 12.477 ( 0.000 -16.271 2.756) 16.503 12.508 ( 0.000 -1.714 4.239) 4.573 12.638 ( 0.000 -6.841 0.111) 6.842 12.696 ( 0.000 2.609 9.299) 9.658 12.777 ( 0.000 -1.920 1.823) 2.647 12.904 ( 0.000 9.874 -0.208) 9.876 12.964 ( 0.000 5.192 1.726) 5.472 12.965 ( 0.000 3.086 4.114) 5.143 13.037 ( 0.000 2.030 2.848) 3.498 13.227 ( 0.000 -6.814 2.594) 7.292 13.240 ( 0.000 -1.665 -1.051) 1.968 13.467 ( 0.000 3.786 1.337) 4.015 13.474 ( 0.000 -3.351 3.688) 4.983 13.517 ( 0.000 8.389 -1.801) 8.581 13.702 ( 0.000 1.533 1.633) 2.240 13.727 ( 0.000 -4.138 -1.762) 4.498 13.818 ( 0.000 -3.700 -3.283) 4.947 13.852 ( 0.000 0.339 -5.135) 5.146 13.860 ( 0.000 -0.926 -10.644) 10.685 13.891 ( 0.000 12.190 4.918) 13.145 13.935 ( 0.000 0.931 1.773) 2.003 14.100 ( 0.000 11.945 -0.799) 11.971 14.201 ( 0.000 -0.454 -3.756) 3.783 14.463 ( 0.000 2.511 0.628) 2.588 14.624 ( 0.000 -1.988 3.872) 4.353 14.666 ( 0.000 -0.486 1.705) 1.773 14.790 ( 0.000 5.524 1.237) 5.661 14.840 ( 0.000 -0.421 0.924) 1.016 14.872 ( 0.000 -4.737 -0.507) 4.764 14.902 ( 0.000 0.608 -0.742) 0.959 14.907 ( 0.000 -4.403 -1.404) 4.621 15.086 ( 0.000 9.512 -5.974) 11.233 15.275 ( 0.000 5.843 -13.551) 14.757 15.327 ( 0.000 -1.425 1.258) 1.901 15.330 ( 0.000 1.173 -0.418) 1.245 15.631 ( 0.000 -5.300 2.385) 5.811 15.724 ( 0.000 -8.811 -1.788) 8.990 15.925 ( 0.000 3.495 6.519) 7.397 15.977 ( 0.000 1.541 2.668) 3.081 16.044 ( 0.000 14.750 4.102) 15.309 16.132 ( 0.000 -2.555 6.954) 7.408 16.231 ( 0.000 11.180 -4.659) 12.112 16.338 ( 0.000 -11.656 1.534) 11.757 16.619 ( 0.000 1.294 -1.831) 2.243 16.774 ( 0.000 -10.680 0.484) 10.691 16.847 ( 0.000 -3.185 1.528) 3.533 16.940 ( 0.000 -8.736 0.808) 8.773 17.048 ( 0.000 2.849 3.363) 4.407 17.084 ( 0.000 -0.223 -3.564) 3.571 17.096 ( 0.000 1.155 -2.501) 2.755 17.186 ( 0.000 3.716 2.567) 4.517 17.199 ( 0.000 -1.448 -2.133) 2.578 17.253 ( 0.000 4.579 -0.684) 4.630 17.364 ( 0.000 -7.286 5.588) 9.182 17.475 ( 0.000 -8.396 0.104) 8.397 17.581 ( 0.000 1.174 0.121) 1.180 17.658 ( 0.000 0.451 -0.895) 1.003 17.721 ( 0.000 3.684 2.423) 4.409 17.838 ( 0.000 2.090 12.982) 13.149 17.987 ( 0.000 8.734 0.102) 8.734 18.043 ( 0.000 1.653 8.556) 8.714 18.122 ( 0.000 -1.552 6.841) 7.015 18.358 ( 0.000 -5.618 -5.423) 7.808 18.445 ( 0.000 0.030 -8.455) 8.455 18.467 ( 0.000 -1.161 -7.733) 7.819 19.862 ( 0.000 0.241 3.184) 3.193 19.899 ( 0.000 -1.824 1.347) 2.267 20.338 ( 0.000 -2.482 -1.509) 2.905 20.476 ( 0.000 -13.398 1.713) 13.507 21.272 ( 0.000 25.624 9.053) 27.176 21.919 ( 0.000 -7.522 -11.512) 13.751 23.748 ( 0.000 1.104 -0.844) 1.390 23.783 ( 0.000 -0.491 -2.673) 2.718 23.906 ( 0.000 -0.002 0.289) 0.289 23.908 ( 0.000 -0.045 0.222) 0.227 24.635 ( 0.000 0.472 2.875) 2.913 24.670 ( 0.000 -1.361 3.275) 3.546 24.720 ( 0.000 0.560 0.067) 0.564 24.738 ( 0.000 -0.476 1.015) 1.121 24.828 ( 0.000 1.606 -1.494) 2.193 24.878 ( 0.000 -0.296 -3.216) 3.230 24.959 ( 0.000 -0.188 0.286) 0.343 24.972 ( 0.000 -1.185 -0.542) 1.303 25.556 ( 0.000 7.088 2.520) 7.523 25.707 ( 0.000 9.846 -5.043) 11.062 26.041 ( 0.000 -18.260 3.897) 18.671 26.207 ( 0.000 -13.591 -3.975) 14.160 26.644 ( 0.000 8.704 1.768) 8.881 26.667 ( 0.000 5.630 1.404) 5.802 27.338 ( 0.000 -0.057 -1.984) 1.985 27.364 ( 0.000 -1.401 -2.489) 2.856 29.285 ( 0.000 2.239 4.629) 5.142 29.379 ( 0.000 -1.401 -0.750) 1.589 29.804 ( 0.000 -1.247 4.931) 5.086 29.863 ( 0.000 -5.643 5.040) 7.566 29.986 ( 0.000 0.179 -0.720) 0.741 30.001 ( 0.000 -0.612 1.953) 2.047 30.101 ( 0.000 0.367 -3.366) 3.386 30.121 ( 0.000 -1.063 -2.179) 2.424 35.423 ( 0.000 3.495 0.357) 3.513 35.500 ( 0.000 -0.395 -2.423) 2.455 35.511 ( 0.000 0.043 -0.953) 0.954 35.519 ( 0.000 -0.503 -1.869) 1.935 97.599 ( 0.000 0.872 5.263) 5.334 97.692 ( 0.000 -4.365 2.740) 5.154 97.779 ( 0.000 0.657 -1.588) 1.719 97.799 ( 0.000 -0.408 -1.125) 1.196 100.163 ( 0.000 8.260 -1.994) 8.498 100.257 ( 0.000 1.216 -4.718) 4.873 100.490 ( 0.000 0.253 0.094) 0.270 100.571 ( 0.000 -2.315 -4.455) 5.020 ======================= Grid point 122 (44/72) ======================= q-point: ( 0.10 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( 21.496 20.078 38.587) 48.520 2.402 ( 19.184 24.602 38.687) 49.698 3.432 ( 15.777 -33.598 24.033) 44.219 3.587 ( 11.526 -33.161 14.420) 37.953 3.963 ( 26.051 22.142 42.736) 54.730 4.012 ( 11.951 5.264 -25.695) 28.823 4.046 ( 10.061 15.161 -21.341) 28.045 4.493 ( 4.436 -13.384 -18.179) 23.006 4.666 ( 4.988 5.069 -6.390) 9.561 4.769 ( 11.062 9.929 -7.050) 16.451 5.027 ( 13.931 29.848 22.822) 40.073 5.533 ( 3.561 11.052 -17.184) 20.739 5.713 ( 4.955 -2.338 -4.150) 6.873 5.774 ( 14.701 -50.495 27.697) 59.438 5.813 ( 11.439 -1.984 -1.415) 11.696 6.097 ( 1.980 -9.398 -2.289) 9.873 6.174 ( 3.553 -10.226 11.656) 15.907 6.250 ( -1.431 -3.788 -6.112) 7.332 6.344 ( 0.090 3.716 0.643) 3.772 6.431 ( 4.117 6.670 -1.337) 7.952 6.661 ( -2.649 -5.610 7.070) 9.406 6.773 ( -3.292 -8.011 0.648) 8.685 6.867 ( -2.319 6.031 3.527) 7.362 6.902 ( 0.311 4.765 -14.352) 15.126 7.017 ( -0.100 1.113 -2.559) 2.793 7.068 ( -3.880 -3.085 3.437) 6.032 7.166 ( -1.843 -1.905 5.250) 5.881 7.243 ( -0.602 3.081 0.372) 3.161 7.308 ( -1.646 -7.783 -13.671) 15.817 7.363 ( -5.450 4.578 -4.860) 8.619 7.397 ( -2.737 1.235 7.727) 8.290 7.497 ( 0.282 -3.118 -5.455) 6.289 7.522 ( 0.253 -4.251 2.083) 4.740 7.593 ( 6.066 -4.902 -12.627) 14.841 7.676 ( -5.760 1.046 -0.391) 5.867 7.821 ( -7.225 1.569 12.501) 14.524 7.872 ( -6.594 1.718 -3.057) 7.469 7.967 ( -3.886 1.794 2.876) 5.157 8.005 ( -5.631 7.971 4.868) 10.906 8.030 ( -3.707 4.307 5.297) 7.768 8.091 ( 3.325 4.494 -12.324) 13.533 8.147 ( -5.204 -0.917 -3.793) 6.505 8.167 ( 2.903 1.857 -2.976) 4.553 8.228 ( -10.211 4.968 3.475) 11.875 8.349 ( -11.213 -3.745 -5.311) 12.960 8.400 ( -7.420 -3.048 3.986) 8.957 8.465 ( -4.015 15.417 -6.327) 17.142 8.536 ( -0.374 -0.381 12.270) 12.282 8.705 ( 6.398 11.257 7.121) 14.777 8.737 ( 4.114 -6.498 5.744) 9.599 8.815 ( 2.311 4.298 -3.426) 5.962 8.915 ( 10.823 -2.078 14.228) 17.997 8.970 ( -1.981 2.763 2.928) 4.487 9.057 ( 5.887 3.377 -1.282) 6.907 9.118 ( 2.481 -3.862 1.481) 4.823 9.158 ( 1.896 7.454 -6.822) 10.281 9.368 ( -0.990 -0.741 -1.885) 2.255 9.461 ( 2.255 5.925 -6.262) 8.911 9.556 ( -0.308 -0.428 -7.310) 7.329 9.603 ( -4.564 0.635 -8.306) 9.499 9.640 ( -7.971 1.088 -18.944) 20.582 9.730 ( -1.979 -1.512 -11.494) 11.761 9.802 ( 1.204 5.015 -6.620) 8.392 9.876 ( -0.704 4.836 -10.661) 11.727 9.957 ( -1.920 -0.726 3.018) 3.650 10.018 ( -4.123 1.138 1.768) 4.628 10.101 ( -0.993 -6.420 -1.426) 6.651 10.188 ( -6.852 0.264 -0.822) 6.906 10.209 ( -5.090 -4.538 1.072) 6.902 10.242 ( -2.427 -0.258 -0.643) 2.524 10.340 ( -3.953 -2.951 -2.007) 5.326 10.369 ( 0.431 -4.813 -1.166) 4.971 10.404 ( -6.832 1.894 -5.560) 9.010 10.439 ( -8.775 -2.677 -1.700) 9.330 10.556 ( -6.071 -5.660 4.256) 9.328 10.584 ( -3.025 -0.260 4.931) 5.790 10.677 ( 1.043 -4.448 2.268) 5.101 10.701 ( -10.268 -4.244 1.761) 11.249 10.801 ( -3.199 1.297 -0.109) 3.454 10.846 ( 0.216 -2.795 -3.264) 4.302 10.924 ( -3.009 -1.009 -3.032) 4.389 10.971 ( 2.038 0.426 1.155) 2.381 11.009 ( -1.448 -2.022 0.595) 2.557 11.059 ( 0.927 2.141 -4.272) 4.867 11.127 ( 1.094 -1.625 -5.834) 6.154 11.164 ( -2.599 1.095 2.207) 3.581 11.223 ( 0.057 2.382 -2.709) 3.607 11.358 ( -1.559 -1.767 0.731) 2.467 11.501 ( -1.096 3.937 -4.862) 6.351 11.605 ( 5.506 1.026 -0.927) 5.677 11.783 ( 1.808 0.369 10.721) 10.879 11.805 ( 5.308 1.518 2.871) 6.223 11.943 ( -0.253 -5.516 -1.069) 5.624 12.013 ( 6.319 -0.985 -2.115) 6.736 12.088 ( 1.413 -2.807 2.281) 3.883 12.172 ( 5.207 -2.252 -5.590) 7.964 12.185 ( -0.766 1.909 2.653) 3.357 12.282 ( 1.330 -3.601 -3.401) 5.128 12.364 ( 5.118 0.333 -1.785) 5.430 12.433 ( 2.476 -2.647 2.961) 4.680 12.556 ( -0.128 -4.141 -0.318) 4.156 12.653 ( 3.160 -4.035 5.187) 7.292 12.728 ( 2.266 -0.326 0.858) 2.444 12.836 ( 2.633 0.119 4.739) 5.423 12.865 ( -0.038 4.677 3.770) 6.007 12.938 ( -1.173 2.053 0.010) 2.364 12.996 ( 0.218 2.152 3.016) 3.711 13.065 ( 0.348 1.056 -1.024) 1.511 13.157 ( -1.320 -1.579 5.668) 6.030 13.257 ( -1.570 -1.692 3.520) 4.209 13.369 ( -3.280 4.532 2.822) 6.266 13.464 ( -3.987 2.459 2.672) 5.393 13.621 ( 5.986 -0.177 -1.169) 6.101 13.659 ( -4.512 -0.312 -0.209) 4.527 13.704 ( -3.835 -0.732 -0.638) 3.956 13.751 ( -1.621 1.155 -3.057) 3.648 13.812 ( -0.423 4.043 -2.546) 4.796 13.882 ( 1.390 -1.160 -2.907) 3.425 13.940 ( -0.089 1.496 -0.921) 1.759 13.962 ( 3.580 -1.421 -5.786) 6.951 14.116 ( 1.878 8.977 -0.323) 9.177 14.188 ( 1.254 5.744 -0.800) 5.934 14.412 ( -11.670 -4.018 2.074) 12.515 14.515 ( -3.933 -3.741 -2.108) 5.824 14.639 ( -6.978 4.775 1.678) 8.620 14.731 ( -5.551 6.442 -0.208) 8.506 14.775 ( -3.499 -3.248 4.665) 6.676 14.810 ( -3.638 -1.360 4.562) 5.991 14.927 ( 2.914 2.260 0.121) 3.690 15.053 ( 2.209 0.637 -6.817) 7.194 15.105 ( -4.749 4.571 -5.551) 8.617 15.221 ( -2.803 1.369 -9.908) 10.388 15.344 ( 4.519 -1.521 5.594) 7.350 15.454 ( 13.962 -3.258 2.122) 14.493 15.662 ( 5.617 -5.277 -0.785) 7.747 15.727 ( 2.342 -7.253 -2.157) 7.921 15.902 ( -1.574 1.658 4.012) 4.617 15.958 ( -2.814 4.872 2.970) 6.362 16.011 ( -1.971 5.973 3.888) 7.395 16.166 ( -0.446 6.248 -1.101) 6.360 16.218 ( 1.761 1.710 -0.912) 2.618 16.320 ( -0.810 -5.900 0.999) 6.039 16.556 ( -6.770 -1.846 -3.486) 7.835 16.638 ( -7.606 -5.769 0.269) 9.550 16.885 ( 0.482 -2.940 0.440) 3.012 16.895 ( -2.618 -3.071 -0.313) 4.048 16.963 ( 1.594 1.568 -0.044) 2.237 17.027 ( -2.333 0.280 -2.022) 3.100 17.111 ( -2.406 -0.468 -1.492) 2.869 17.261 ( 5.245 1.370 1.289) 5.573 17.292 ( -1.177 -3.977 2.673) 4.935 17.385 ( 9.544 -0.939 1.516) 9.709 17.408 ( 9.594 1.358 0.046) 9.690 17.540 ( 2.439 -4.200 2.800) 5.606 17.615 ( 0.468 1.021 0.417) 1.198 17.648 ( 2.215 -0.216 0.125) 2.229 17.725 ( 1.859 1.784 0.711) 2.673 17.835 ( -0.591 -1.675 12.963) 13.084 18.000 ( -1.362 4.267 6.153) 7.610 18.002 ( -1.017 3.354 5.876) 6.842 18.106 ( 0.566 2.351 0.913) 2.584 18.343 ( -2.137 -2.961 -7.689) 8.512 18.659 ( 21.016 -1.208 -5.491) 21.755 18.714 ( 18.990 -1.727 -6.632) 20.189 19.860 ( -0.136 0.257 2.905) 2.920 19.900 ( 0.125 -1.819 0.905) 2.035 20.307 ( -2.823 -2.097 -1.574) 3.853 20.430 ( -4.402 -11.166 2.638) 12.288 21.096 ( -15.905 20.821 5.877) 26.852 21.530 ( -30.108 -2.078 -2.859) 30.315 23.685 ( -5.138 0.373 -0.003) 5.152 23.704 ( -6.618 -0.414 -1.329) 6.763 23.887 ( -2.807 0.065 0.152) 2.812 23.893 ( -2.831 -0.093 -0.216) 2.840 24.660 ( 1.268 0.312 3.517) 3.751 24.679 ( 0.521 -0.573 4.418) 4.485 24.781 ( 2.835 0.593 -2.368) 3.741 24.840 ( 1.048 -2.398 -3.484) 4.357 24.888 ( 5.259 1.060 0.561) 5.394 24.936 ( 4.684 -0.519 -1.175) 4.857 25.078 ( 12.895 0.702 -0.625) 12.930 25.152 ( 21.926 -2.689 -4.950) 22.638 25.564 ( 0.819 6.905 2.567) 7.412 25.720 ( 1.643 10.304 -5.017) 11.577 26.021 ( -1.835 -16.154 1.994) 16.380 26.228 ( 2.231 -13.567 -2.052) 13.902 26.588 ( -3.922 8.458 1.204) 9.401 26.693 ( 0.880 4.615 2.974) 5.560 27.261 ( -9.435 -0.230 -0.911) 9.482 27.282 ( -5.701 -0.786 -2.890) 6.440 29.282 ( -0.150 1.995 4.379) 4.814 29.372 ( -0.588 -1.648 -0.531) 1.828 29.725 ( -9.242 -1.578 5.147) 10.695 29.745 ( -6.459 -1.535 3.672) 7.587 30.018 ( 6.523 1.105 4.381) 7.935 30.057 ( 5.617 -0.687 2.879) 6.349 30.194 ( 7.886 1.209 -3.626) 8.763 30.296 ( 11.602 -4.050 -9.204) 15.353 35.402 ( -2.006 2.902 0.865) 3.632 35.479 ( -2.274 -0.856 -1.501) 2.856 35.491 ( -1.980 0.055 -2.069) 2.864 35.494 ( -2.291 -0.112 -1.422) 2.699 97.595 ( -0.404 0.707 4.980) 5.047 97.665 ( -2.391 -3.076 4.060) 5.627 97.760 ( -1.610 0.880 -1.982) 2.700 97.785 ( -1.439 -0.373 -1.357) 2.013 100.138 ( -1.526 6.053 0.182) 6.245 100.264 ( -0.106 0.048 -5.082) 5.083 100.482 ( -0.983 0.381 -0.844) 1.351 100.542 ( -2.755 -1.289 -3.539) 4.667 ======================= Grid point 123 (45/72) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.890 ( 30.049 19.876 30.277) 47.061 2.959 ( 35.803 15.417 27.911) 47.944 3.842 ( 24.796 -27.942 17.134) 41.099 3.890 ( 18.958 -23.679 7.178) 31.170 4.195 ( 13.253 2.765 -25.020) 28.448 4.330 ( 19.069 5.498 -26.524) 33.127 4.598 ( 16.995 -10.756 -8.680) 21.906 4.772 ( 30.660 12.405 24.579) 41.207 4.822 ( 11.525 -1.340 -7.924) 14.050 5.124 ( 27.766 21.068 9.833) 36.214 5.342 ( 16.604 27.940 19.507) 37.906 5.632 ( 7.024 8.975 -8.924) 14.475 5.828 ( 6.028 2.882 -4.236) 7.911 6.055 ( 8.428 -3.092 2.087) 9.217 6.080 ( 6.417 -15.141 15.684) 22.724 6.128 ( -2.618 -7.201 2.849) 8.175 6.172 ( 0.204 -11.425 11.440) 16.169 6.282 ( 8.638 -13.762 11.520) 19.918 6.372 ( 6.206 -9.296 11.390) 15.958 6.464 ( -1.961 3.382 3.447) 5.212 6.584 ( -4.714 -3.297 4.071) 7.047 6.697 ( -6.505 -8.527 2.962) 11.126 6.761 ( -6.587 4.388 7.672) 11.023 6.871 ( -6.644 1.929 -2.273) 7.282 6.937 ( -1.896 -2.833 -0.261) 3.419 7.016 ( -2.038 -0.822 -3.675) 4.282 7.112 ( -3.980 0.193 6.128) 7.309 7.185 ( -4.677 -6.506 -6.008) 10.015 7.248 ( -7.157 1.934 -10.965) 13.236 7.295 ( -3.000 1.645 -3.423) 4.839 7.339 ( -0.652 3.552 4.485) 5.758 7.430 ( -6.295 -3.889 11.440) 13.624 7.512 ( -1.716 -1.799 1.034) 2.693 7.609 ( -6.702 -3.516 11.144) 13.471 7.644 ( -1.947 1.107 -9.384) 9.647 7.755 ( 0.115 0.418 -16.573) 16.579 7.766 ( -5.861 2.142 -9.073) 11.011 7.807 ( -6.453 -1.486 -2.262) 6.998 7.810 ( -5.815 2.113 -3.026) 6.888 7.921 ( -3.809 0.891 -7.013) 8.030 8.043 ( -1.949 -3.014 -3.261) 4.850 8.085 ( -7.246 -1.328 -5.374) 9.119 8.124 ( -3.005 2.227 -3.848) 5.366 8.196 ( -3.437 1.192 -5.286) 6.417 8.275 ( 4.329 -2.674 -8.992) 10.332 8.391 ( -0.667 11.780 1.973) 11.963 8.437 ( -0.660 14.403 10.719) 17.966 8.490 ( 4.765 -4.606 -3.113) 7.322 8.742 ( -5.754 1.223 6.837) 9.020 8.763 ( -3.362 0.960 -4.339) 5.573 8.816 ( -1.748 5.420 -2.391) 6.177 8.888 ( -0.987 9.106 2.774) 9.570 9.026 ( 0.427 -2.151 12.020) 12.219 9.104 ( 1.468 3.492 -7.238) 8.169 9.168 ( 4.214 3.685 7.144) 9.076 9.228 ( -2.234 -1.684 -2.855) 3.997 9.358 ( 4.522 -1.382 3.088) 5.648 9.437 ( -6.133 -3.601 -14.038) 15.737 9.481 ( -7.915 4.018 -5.675) 10.535 9.547 ( -6.750 3.499 -11.738) 13.986 9.569 ( 1.669 0.814 1.143) 2.181 9.697 ( -5.104 -4.241 -10.653) 12.551 9.780 ( -5.900 0.916 -5.815) 8.335 9.837 ( -1.214 2.190 -0.469) 2.548 9.846 ( -7.380 0.060 2.731) 7.869 9.869 ( -2.073 2.204 -2.294) 3.796 9.983 ( -6.533 2.501 -0.775) 7.038 10.032 ( -5.015 -3.386 -4.129) 7.326 10.176 ( -2.042 4.071 -5.635) 7.245 10.237 ( -3.696 2.478 -2.550) 5.129 10.253 ( -3.830 0.062 -8.052) 8.917 10.289 ( 1.901 -0.753 -2.626) 3.328 10.364 ( 0.600 -0.232 2.024) 2.124 10.417 ( -8.407 -5.923 1.636) 10.413 10.456 ( 0.637 -5.021 0.648) 5.103 10.483 ( -5.937 -2.835 4.683) 8.076 10.531 ( -5.068 -4.131 -0.702) 6.576 10.647 ( -6.120 -8.054 -0.084) 10.116 10.745 ( -0.701 2.172 5.733) 6.170 10.790 ( -3.679 2.815 -3.632) 5.886 10.861 ( 2.298 -1.871 -5.910) 6.612 10.960 ( -2.552 3.019 -0.123) 3.955 11.040 ( -1.408 0.830 2.062) 2.631 11.063 ( 1.252 0.625 3.558) 3.824 11.108 ( -0.924 -1.187 -5.209) 5.422 11.187 ( -0.463 -0.914 -0.995) 1.428 11.264 ( 2.285 -1.264 -3.727) 4.551 11.401 ( 4.857 -5.350 7.183) 10.188 11.461 ( -1.277 4.583 -5.758) 7.469 11.635 ( -2.189 -5.672 -0.342) 6.090 11.803 ( 1.348 -0.397 3.283) 3.571 11.887 ( 4.692 1.057 4.560) 6.628 11.913 ( -3.158 -3.632 4.901) 6.870 12.025 ( 5.718 -3.565 1.848) 6.987 12.130 ( -3.807 -1.167 -2.574) 4.741 12.158 ( 3.169 6.337 -3.107) 7.737 12.235 ( -1.026 -4.709 -5.283) 7.151 12.366 ( 4.537 -4.256 -5.691) 8.432 12.451 ( 1.062 0.442 -1.713) 2.063 12.501 ( 2.612 -2.691 0.724) 3.819 12.618 ( 2.172 -0.133 3.103) 3.790 12.683 ( -0.922 1.525 -2.442) 3.023 12.755 ( -2.509 0.308 6.034) 6.542 12.846 ( -1.459 0.120 1.305) 1.961 12.884 ( 2.222 5.986 -0.469) 6.402 12.966 ( -1.873 4.370 4.985) 6.889 12.993 ( 6.954 -2.009 4.623) 8.589 13.093 ( 0.812 -0.550 -1.673) 1.939 13.116 ( -2.182 1.943 3.502) 4.561 13.209 ( -2.045 2.937 5.659) 6.696 13.370 ( -1.321 -4.057 -1.035) 4.390 13.402 ( -0.781 -3.865 6.348) 7.473 13.483 ( -10.693 1.444 -0.897) 10.828 13.579 ( -4.371 -1.223 -3.557) 5.767 13.674 ( 0.477 5.665 -2.163) 6.083 13.798 ( 1.815 -2.505 1.101) 3.284 13.835 ( 0.302 3.738 -3.248) 4.961 13.938 ( 4.327 0.415 -4.025) 5.924 13.976 ( 3.500 0.234 0.241) 3.516 14.041 ( 4.758 -1.496 -5.301) 7.279 14.096 ( -7.303 1.587 -0.235) 7.477 14.173 ( 3.425 3.551 -2.804) 5.674 14.301 ( -3.565 8.146 4.370) 9.908 14.363 ( -9.564 5.935 3.210) 11.704 14.490 ( -6.147 -0.840 -1.249) 6.329 14.512 ( -10.054 -0.469 -1.101) 10.125 14.662 ( -7.969 -1.071 6.440) 10.302 14.749 ( -5.155 -1.836 1.208) 5.604 14.870 ( -7.170 -0.745 -5.356) 8.980 14.988 ( -4.905 -5.931 -6.761) 10.244 15.091 ( 4.734 6.654 0.832) 8.208 15.250 ( 6.012 7.812 0.194) 9.859 15.460 ( 5.087 -7.688 8.405) 12.475 15.624 ( 3.623 -11.133 3.593) 12.247 15.753 ( -1.237 2.047 -2.374) 3.370 15.869 ( -2.014 2.776 2.975) 4.540 15.896 ( 1.918 0.375 -3.109) 3.672 15.952 ( 7.557 0.228 -0.032) 7.560 16.013 ( 6.309 0.905 3.170) 7.118 16.121 ( -1.450 -2.818 -3.986) 5.093 16.286 ( 3.901 -3.944 3.380) 6.495 16.378 ( 7.156 6.637 -3.699) 10.438 16.418 ( -4.266 -4.216 -0.584) 6.026 16.578 ( 0.992 -2.398 0.704) 2.689 16.854 ( -1.964 -0.086 1.055) 2.231 16.900 ( 1.103 -0.815 -2.607) 2.946 16.942 ( -2.351 -2.091 -1.078) 3.326 17.007 ( -4.430 -4.058 -2.014) 6.336 17.120 ( 5.544 3.783 -0.770) 6.756 17.264 ( -0.977 3.255 -2.044) 3.966 17.365 ( 4.691 -1.684 2.213) 5.453 17.498 ( 0.991 -0.358 4.410) 4.534 17.567 ( 5.417 0.698 1.696) 5.719 17.581 ( 3.013 0.287 1.078) 3.213 17.603 ( 0.274 3.613 1.481) 3.915 17.690 ( 1.516 0.286 -2.904) 3.288 17.819 ( 2.912 -5.087 5.763) 8.220 17.833 ( 3.273 -2.475 9.308) 10.172 17.957 ( -1.737 1.298 7.807) 8.102 17.987 ( -1.636 0.659 6.492) 6.727 18.147 ( 3.335 4.856 -1.869) 6.181 18.315 ( -0.403 -1.686 -7.068) 7.278 19.065 ( 17.732 -1.369 -6.783) 19.034 19.104 ( 17.679 -1.194 -5.255) 18.482 19.857 ( -0.234 0.400 2.222) 2.270 19.902 ( -0.063 -1.740 0.047) 1.741 20.255 ( -1.469 -1.445 -1.400) 2.491 20.327 ( -5.216 -5.476 4.968) 9.048 20.745 ( -17.738 14.096 2.796) 22.828 21.016 ( -20.048 -0.928 -4.260) 20.517 23.575 ( -5.583 0.194 0.407) 5.602 23.586 ( -4.589 -0.162 0.155) 4.594 23.794 ( -6.326 0.035 0.099) 6.326 23.798 ( -6.179 0.014 0.029) 6.179 24.678 ( 0.525 0.457 3.589) 3.656 24.702 ( 2.007 -0.643 3.178) 3.813 24.820 ( 1.272 0.394 -2.984) 3.267 24.838 ( 0.025 -0.354 -2.981) 3.002 24.962 ( 2.470 0.054 0.587) 2.540 25.003 ( 2.386 -1.335 -1.024) 2.920 25.398 ( 15.430 0.999 0.977) 15.493 25.511 ( 10.349 -4.781 -4.297) 12.183 25.590 ( 1.963 5.880 2.297) 6.611 25.799 ( 6.341 9.350 -4.396) 12.122 25.990 ( -0.079 -11.049 -1.334) 11.130 26.305 ( 5.845 -9.992 0.275) 11.579 26.500 ( -5.144 7.034 2.246) 8.999 26.690 ( -1.403 1.606 5.421) 5.825 27.043 ( -11.326 1.795 -0.512) 11.479 27.139 ( -8.326 -2.179 -5.392) 10.156 29.283 ( 0.348 1.482 3.584) 3.894 29.359 ( -0.643 -1.877 -0.101) 1.987 29.556 ( -7.057 1.214 4.410) 8.410 29.618 ( -6.547 -1.470 0.822) 6.760 30.194 ( 10.509 0.402 5.503) 11.869 30.209 ( 9.541 -0.229 3.671) 10.225 30.376 ( 9.792 2.063 -4.570) 11.001 30.506 ( 9.534 -3.890 -10.661) 14.822 35.354 ( -2.617 1.819 1.254) 3.425 35.416 ( -3.776 -1.086 -0.439) 3.954 35.438 ( -3.275 0.169 -1.924) 3.802 35.440 ( -3.195 0.040 -1.795) 3.665 97.587 ( -0.315 0.444 4.189) 4.225 97.622 ( -1.635 -1.228 4.473) 4.919 97.724 ( -1.992 0.683 -2.097) 2.971 97.748 ( -2.157 -0.364 -1.699) 2.770 100.123 ( -0.046 3.366 1.650) 3.748 100.248 ( -1.301 -1.941 -3.668) 4.350 100.445 ( -2.887 0.453 -1.975) 3.527 100.473 ( -3.981 0.271 -1.941) 4.437 ======================= Grid point 124 (46/72) ======================= q-point: ( 0.30 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.541 ( 35.720 13.049 22.501) 44.187 3.695 ( 38.048 10.431 21.238) 44.805 4.306 ( 22.829 -15.880 6.022) 28.454 4.354 ( 26.731 -17.397 7.201) 32.696 4.531 ( 20.072 -0.180 -9.641) 22.268 4.702 ( 17.279 -2.087 -15.250) 23.141 4.918 ( 18.300 -2.093 -10.292) 21.100 5.051 ( 13.280 -6.634 -13.318) 19.943 5.318 ( 22.976 15.325 7.834) 28.708 5.609 ( 8.384 18.704 10.584) 23.068 5.656 ( 11.263 10.959 1.502) 15.786 5.861 ( 10.982 -4.653 10.987) 16.217 5.897 ( -0.389 9.114 1.965) 9.331 5.969 ( -4.945 1.011 11.298) 12.374 6.088 ( -3.521 -0.775 9.496) 10.157 6.147 ( 0.024 0.073 6.730) 6.730 6.168 ( 6.713 2.232 13.908) 15.604 6.275 ( -10.392 3.995 1.326) 11.213 6.348 ( -5.548 -3.693 6.974) 9.647 6.455 ( -5.174 -1.609 -2.449) 5.946 6.483 ( -4.319 -7.376 2.936) 9.038 6.642 ( 2.641 -3.917 5.291) 7.093 6.713 ( -6.761 -2.551 -0.771) 7.267 6.826 ( -6.817 1.505 -3.476) 7.798 6.910 ( 7.717 -10.662 6.223) 14.559 6.976 ( -10.388 -5.835 7.077) 13.858 6.988 ( 2.655 -8.064 4.380) 9.553 7.066 ( -3.969 -4.628 2.654) 6.649 7.154 ( -4.456 -2.682 -0.300) 5.209 7.176 ( -4.707 -3.907 6.704) 9.076 7.325 ( -1.812 -3.335 -1.840) 4.218 7.392 ( -2.108 4.664 -1.346) 5.292 7.482 ( -9.710 -4.097 4.875) 11.612 7.519 ( 2.724 0.455 -0.686) 2.846 7.570 ( -0.781 -3.679 -2.398) 4.461 7.596 ( -2.857 -4.551 2.940) 6.126 7.676 ( -3.146 3.889 1.071) 5.115 7.693 ( -5.969 7.823 -15.317) 18.205 7.763 ( -2.406 6.531 -4.675) 8.384 7.856 ( 0.314 1.454 -15.905) 15.974 7.929 ( -4.764 -4.094 -4.027) 7.461 8.066 ( -5.470 -1.828 1.184) 5.887 8.152 ( -5.780 1.801 -3.037) 6.773 8.242 ( 11.560 0.303 -9.779) 15.144 8.286 ( -5.792 0.409 6.645) 8.824 8.351 ( 9.909 -3.823 -2.981) 11.031 8.456 ( 6.543 6.142 -3.236) 9.540 8.583 ( -8.629 5.024 0.963) 10.031 8.628 ( -4.714 -2.036 2.660) 5.783 8.661 ( -4.114 2.095 -4.793) 6.655 8.768 ( 4.688 6.254 3.725) 8.659 8.925 ( -0.027 0.694 -4.353) 4.409 9.005 ( -6.861 5.733 -1.495) 9.065 9.069 ( -1.077 4.800 -6.024) 7.777 9.178 ( -12.616 1.500 7.353) 14.679 9.216 ( -3.051 0.045 0.871) 3.173 9.270 ( 3.030 1.398 -8.855) 9.463 9.329 ( -0.189 1.807 -6.882) 7.118 9.420 ( -1.408 -5.253 0.668) 5.479 9.474 ( 1.025 -5.020 1.914) 5.469 9.525 ( -5.043 1.075 -5.521) 7.554 9.588 ( -3.392 0.799 -6.965) 7.788 9.660 ( -4.348 -3.047 0.093) 5.310 9.708 ( -2.900 1.167 2.206) 3.826 9.837 ( -3.311 2.825 -4.290) 6.111 9.854 ( -3.222 2.892 -2.409) 4.955 9.916 ( -1.803 -0.763 -0.046) 1.959 9.985 ( -6.878 0.262 -3.974) 7.948 10.098 ( 4.475 6.725 -9.062) 12.139 10.206 ( -0.846 0.363 -5.956) 6.026 10.218 ( -6.390 -0.087 -2.240) 6.772 10.273 ( -1.368 1.004 -1.109) 2.027 10.293 ( -2.730 3.681 1.148) 4.724 10.363 ( -1.270 -0.084 1.717) 2.137 10.391 ( 0.664 -2.558 2.654) 3.746 10.444 ( 0.820 -1.116 -0.956) 1.683 10.531 ( 0.143 -8.053 -3.139) 8.644 10.564 ( -3.153 -7.252 0.625) 7.932 10.709 ( -5.536 0.180 0.035) 5.539 10.740 ( 0.194 0.634 0.871) 1.094 10.863 ( -6.160 3.351 -3.763) 7.958 10.869 ( -3.593 -0.183 -1.074) 3.754 11.005 ( -2.025 -2.630 -1.426) 3.613 11.084 ( 3.599 0.067 1.921) 4.080 11.100 ( -0.793 -1.519 -4.259) 4.591 11.235 ( 5.454 -0.094 3.950) 6.735 11.270 ( -0.817 0.436 0.457) 1.032 11.410 ( 0.065 -0.375 2.964) 2.988 11.550 ( 4.595 -2.720 4.982) 7.302 11.583 ( -2.244 -2.914 1.827) 4.106 11.789 ( -4.042 -0.466 0.935) 4.174 11.891 ( -3.000 -1.675 1.070) 3.599 11.963 ( 1.733 -0.908 -4.880) 5.257 12.053 ( -4.065 -1.377 -0.196) 4.296 12.080 ( 0.568 -0.296 -1.640) 1.760 12.148 ( 1.417 0.284 -5.854) 6.030 12.329 ( 2.113 -3.164 -2.213) 4.401 12.342 ( -2.258 -1.778 -6.623) 7.219 12.497 ( 2.940 0.965 1.535) 3.454 12.513 ( -1.715 -0.602 5.655) 5.940 12.580 ( -4.276 3.817 0.846) 5.794 12.667 ( -2.468 0.446 -0.547) 2.567 12.692 ( -1.194 2.075 -4.911) 5.464 12.745 ( -5.008 0.212 -0.635) 5.052 12.857 ( -7.192 1.805 5.303) 9.116 12.945 ( -1.589 3.206 4.141) 5.473 12.990 ( -2.564 3.061 4.320) 5.883 13.083 ( -6.248 1.978 -1.843) 6.808 13.130 ( -4.496 -3.681 1.661) 6.044 13.176 ( 6.179 -1.146 2.760) 6.864 13.264 ( -0.401 1.476 -2.004) 2.521 13.377 ( 4.045 -4.527 -0.257) 6.077 13.505 ( 4.186 -7.894 -4.826) 10.155 13.572 ( 0.826 -6.008 -2.988) 6.761 13.673 ( -2.025 4.031 1.589) 4.782 13.772 ( -3.738 -2.141 -0.574) 4.346 13.856 ( 1.991 8.364 -1.077) 8.665 13.894 ( -3.585 6.803 -4.499) 8.909 13.996 ( -0.265 2.703 -5.223) 5.887 14.025 ( -9.729 8.214 0.103) 12.733 14.134 ( -6.965 4.991 0.051) 8.568 14.197 ( 1.037 -1.204 1.427) 2.136 14.204 ( 6.261 0.609 -1.818) 6.548 14.265 ( 5.047 -0.694 -2.601) 5.720 14.373 ( -1.715 -0.029 4.194) 4.531 14.513 ( -3.081 -5.639 4.711) 7.968 14.583 ( 3.253 4.298 3.955) 6.686 14.652 ( -2.335 -1.515 1.410) 3.120 14.696 ( -7.904 -1.486 -5.065) 9.504 14.979 ( 0.946 -8.653 -5.422) 10.255 15.181 ( 4.223 4.805 1.527) 6.576 15.374 ( 4.536 8.243 3.239) 9.950 15.538 ( 3.332 -4.651 8.923) 10.600 15.609 ( -2.861 1.915 3.870) 5.180 15.779 ( 4.233 -5.494 -2.298) 7.306 15.825 ( -1.558 0.585 -2.184) 2.746 15.857 ( -0.120 -1.742 -0.552) 1.832 15.974 ( -5.530 -6.213 -1.385) 8.432 16.117 ( -0.118 0.308 2.707) 2.727 16.151 ( 4.056 -2.720 0.526) 4.911 16.329 ( -0.916 2.949 5.278) 6.115 16.433 ( 5.508 -0.524 3.615) 6.610 16.605 ( 11.756 1.066 0.458) 11.813 16.653 ( 5.503 0.165 3.609) 6.582 16.809 ( -1.816 -1.170 -0.868) 2.328 16.893 ( -3.119 -1.910 -0.530) 3.696 16.905 ( -0.072 0.068 -3.384) 3.385 16.951 ( -0.855 -3.911 -4.466) 5.998 17.185 ( 1.158 2.645 1.241) 3.143 17.295 ( 3.900 0.748 -3.755) 5.465 17.432 ( 0.698 1.854 3.867) 4.344 17.472 ( -0.566 3.348 1.244) 3.617 17.608 ( 1.003 0.368 1.538) 1.872 17.627 ( 2.089 0.230 1.129) 2.386 17.657 ( 2.463 1.747 1.441) 3.346 17.715 ( 0.807 2.731 -0.016) 2.848 17.836 ( 0.700 -4.001 9.457) 10.293 17.887 ( -0.705 -2.403 7.213) 7.635 17.930 ( -0.986 0.971 5.768) 5.931 17.968 ( 0.124 -0.939 4.106) 4.214 18.234 ( 5.769 0.880 -2.521) 6.357 18.344 ( 3.504 -2.183 -4.846) 6.367 19.273 ( 2.906 0.066 -5.194) 5.952 19.316 ( 3.238 -1.352 -4.714) 5.877 19.849 ( -0.463 0.456 1.308) 1.461 19.890 ( -1.111 -1.337 -0.565) 1.828 20.229 ( -2.414 -0.365 4.621) 5.227 20.281 ( -0.686 -1.420 9.244) 9.377 20.503 ( -3.707 9.651 -7.891) 13.006 20.754 ( -7.164 -2.997 -13.426) 15.510 23.494 ( -2.837 0.605 1.262) 3.163 23.517 ( -2.615 -0.342 0.258) 2.650 23.667 ( -5.932 0.079 0.278) 5.939 23.673 ( -6.036 -0.017 0.167) 6.038 24.689 ( 0.694 0.898 2.855) 3.072 24.743 ( 1.647 -1.882 1.541) 2.938 24.820 ( 0.181 1.965 -2.182) 2.942 24.869 ( 2.039 -0.504 -3.057) 3.709 24.992 ( 0.742 0.031 0.368) 0.829 25.030 ( 0.440 -1.363 -1.551) 2.112 25.573 ( 3.281 0.885 0.921) 3.521 25.616 ( 1.868 -1.375 -1.202) 2.612 25.658 ( 5.497 1.535 1.785) 5.980 25.844 ( -1.511 -2.022 -0.278) 2.540 26.077 ( 6.424 1.482 -2.142) 6.931 26.383 ( -6.385 6.962 3.847) 10.200 26.444 ( 7.082 -6.557 2.455) 9.959 26.633 ( -3.961 -1.282 6.944) 8.097 26.878 ( -4.653 2.275 -3.555) 6.282 26.983 ( -6.969 -2.507 -7.465) 10.515 29.296 ( 0.946 0.948 2.421) 2.767 29.349 ( -0.339 -1.589 0.141) 1.631 29.450 ( -3.877 1.511 1.721) 4.503 29.503 ( -5.020 -0.989 -0.656) 5.158 30.392 ( 9.514 0.576 4.166) 10.402 30.417 ( 10.783 -0.548 3.957) 11.499 30.550 ( 7.473 2.151 -3.894) 8.697 30.661 ( 6.176 -2.824 -8.111) 10.579 35.306 ( -2.136 0.969 1.005) 2.552 35.345 ( -3.264 -0.764 0.034) 3.352 35.371 ( -3.417 0.142 -1.464) 3.720 35.374 ( -3.354 -0.008 -1.625) 3.727 97.585 ( 0.213 0.321 3.048) 3.072 97.604 ( -0.219 -0.516 3.363) 3.410 97.684 ( -2.004 0.512 -1.597) 2.613 97.705 ( -2.173 -0.377 -1.517) 2.677 100.134 ( 1.155 1.700 1.680) 2.655 100.224 ( -0.908 -2.359 -2.107) 3.291 100.375 ( -3.839 0.946 -1.496) 4.228 100.395 ( -4.041 0.385 -1.512) 4.331 ======================= Grid point 125 (47/72) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 120 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.248 ( 35.088 6.555 15.518) 38.923 4.403 ( 33.112 6.136 16.905) 37.681 4.737 ( 19.556 -8.766 5.923) 22.234 4.859 ( 23.443 -6.519 0.667) 24.341 4.913 ( 17.201 -3.247 4.252) 18.013 4.959 ( 8.178 -2.772 2.657) 9.035 5.233 ( 10.863 5.875 -8.217) 14.834 5.308 ( 8.850 3.806 -3.054) 10.106 5.578 ( 0.176 -0.795 6.813) 6.861 5.660 ( -3.340 1.695 1.638) 4.088 5.688 ( -14.363 0.136 5.322) 15.318 5.741 ( -2.935 -2.691 10.498) 11.228 5.828 ( -3.792 6.033 8.544) 11.126 5.960 ( -5.643 6.088 4.128) 9.271 6.002 ( 2.960 3.634 -2.423) 5.277 6.053 ( 0.112 6.568 1.796) 6.810 6.150 ( 2.910 0.622 1.171) 3.198 6.231 ( -3.148 0.527 2.385) 3.985 6.323 ( -2.589 -1.742 6.265) 6.999 6.355 ( -5.609 -6.833 -1.792) 9.020 6.485 ( 3.107 -10.163 2.279) 10.869 6.592 ( -4.057 -1.464 -0.549) 4.348 6.659 ( -14.439 -7.916 -0.623) 16.478 6.696 ( -1.425 3.142 -0.820) 3.546 6.841 ( -8.652 -0.652 -3.161) 9.234 6.864 ( -7.659 -1.253 -5.514) 9.520 6.896 ( -1.907 -3.171 -1.694) 4.069 7.031 ( -10.384 -5.851 -1.290) 11.988 7.100 ( 2.592 -4.175 0.605) 4.951 7.157 ( 1.660 -6.470 1.590) 6.866 7.255 ( -5.244 4.406 -1.740) 7.067 7.352 ( 3.994 -0.447 3.431) 5.284 7.383 ( -16.042 7.453 -8.480) 19.616 7.436 ( 9.864 3.802 3.572) 11.158 7.526 ( 1.419 2.204 5.973) 6.523 7.583 ( -7.424 2.413 -7.063) 10.528 7.637 ( 0.985 6.107 -4.362) 7.569 7.729 ( 5.885 10.362 3.713) 12.482 7.869 ( 2.409 -7.577 1.822) 8.157 7.915 ( 3.387 6.897 1.948) 7.927 7.967 ( -4.254 2.597 5.957) 7.767 8.038 ( 2.206 0.764 1.569) 2.813 8.129 ( 21.203 -9.502 4.168) 23.605 8.256 ( 7.096 -4.377 8.702) 12.051 8.349 ( -3.864 0.585 -6.433) 7.527 8.427 ( -2.520 -0.748 -1.956) 3.276 8.462 ( -6.215 3.462 -0.802) 7.159 8.498 ( 2.305 -0.037 -2.666) 3.525 8.608 ( -6.657 -5.747 2.858) 9.247 8.634 ( 7.758 -2.976 -2.796) 8.768 8.721 ( -12.625 -0.145 0.936) 12.660 8.825 ( 1.958 -6.796 -1.235) 7.179 8.926 ( 1.474 1.626 -1.757) 2.811 9.013 ( 2.076 -0.474 0.418) 2.170 9.195 ( 3.726 4.207 -7.300) 9.212 9.238 ( -1.250 -0.725 -3.676) 3.950 9.282 ( -1.906 -1.611 -15.359) 15.561 9.307 ( -1.018 6.015 -3.768) 7.170 9.382 ( 0.070 6.057 1.584) 6.261 9.450 ( -0.675 1.087 -1.870) 2.265 9.551 ( 1.255 -2.189 -1.329) 2.852 9.581 ( 1.728 -0.405 0.371) 1.814 9.616 ( 0.963 -6.656 4.148) 7.902 9.680 ( -5.297 1.749 1.513) 5.780 9.735 ( -2.475 5.204 -2.424) 6.252 9.770 ( -4.822 2.343 0.159) 5.363 9.838 ( -5.511 0.644 0.197) 5.552 9.890 ( -0.641 -0.917 0.030) 1.119 10.066 ( -8.054 3.546 4.157) 9.733 10.078 ( -4.465 4.495 -3.444) 7.212 10.217 ( -2.061 -3.636 2.441) 4.840 10.279 ( 2.383 -5.339 -4.937) 7.652 10.312 ( 1.679 1.388 0.252) 2.193 10.353 ( 0.760 -0.347 0.270) 0.878 10.400 ( -1.124 -2.031 -0.316) 2.343 10.471 ( 1.501 -0.672 -4.715) 4.993 10.519 ( 0.569 0.531 -2.419) 2.541 10.550 ( -1.513 -2.017 -4.351) 5.029 10.595 ( -0.149 -0.441 -4.555) 4.579 10.747 ( -3.892 -2.359 -4.610) 6.478 10.775 ( 0.356 6.139 0.181) 6.152 10.798 ( -0.826 -0.476 -0.984) 1.370 10.979 ( -1.833 4.897 -2.789) 5.926 11.026 ( -4.707 2.238 -6.141) 8.055 11.190 ( 3.929 -5.950 -0.205) 7.133 11.251 ( -0.610 -4.792 1.303) 5.003 11.341 ( 3.559 1.448 3.662) 5.308 11.412 ( -1.562 -3.263 1.058) 3.769 11.528 ( -0.904 -1.834 6.928) 7.223 11.588 ( -1.982 0.015 3.448) 3.977 11.660 ( -6.772 -1.313 1.255) 7.011 11.751 ( -8.238 -1.054 1.119) 8.381 11.967 ( -1.507 0.843 -4.183) 4.526 12.003 ( -1.646 1.573 -3.671) 4.320 12.060 ( -0.227 0.420 -7.821) 7.836 12.179 ( -4.553 4.634 -10.790) 12.595 12.252 ( 1.684 -4.920 3.896) 6.498 12.375 ( -8.067 2.571 2.298) 8.773 12.398 ( 1.331 -2.593 -0.823) 3.028 12.473 ( -1.493 0.990 1.557) 2.373 12.540 ( -3.384 2.206 5.848) 7.108 12.622 ( -0.311 0.946 -3.192) 3.343 12.689 ( 0.523 4.035 3.167) 5.156 12.729 ( -1.140 2.497 1.119) 2.964 12.821 ( 6.072 -5.028 -2.341) 8.224 12.905 ( 0.285 -4.741 -1.331) 4.932 12.953 ( -2.530 2.177 -1.072) 3.505 13.002 ( -4.970 -3.893 -0.807) 6.365 13.087 ( 2.450 3.133 -2.849) 4.892 13.205 ( -1.191 0.255 -1.601) 2.012 13.377 ( 8.525 0.931 -0.953) 8.628 13.476 ( 2.018 -2.449 -1.710) 3.605 13.529 ( 0.992 -5.612 -1.508) 5.895 13.573 ( -3.923 0.899 -0.752) 4.094 13.626 ( 2.040 -5.898 -3.560) 7.185 13.704 ( -2.317 -2.578 -2.854) 4.490 13.777 ( -8.211 4.213 -6.555) 11.321 13.830 ( -7.990 3.754 -2.907) 9.294 13.911 ( 1.895 10.007 -1.610) 10.311 13.995 ( -1.190 4.995 -5.061) 7.210 14.075 ( 2.335 2.194 2.418) 4.014 14.188 ( -0.550 1.606 0.554) 1.786 14.296 ( -0.377 -0.080 3.613) 3.633 14.370 ( 2.870 -0.586 -0.227) 2.938 14.386 ( 1.612 -0.089 2.161) 2.697 14.492 ( -0.610 -1.484 4.266) 4.558 14.576 ( 1.587 -2.723 -3.025) 4.368 14.612 ( 3.587 -4.673 4.001) 7.121 14.741 ( 4.144 4.747 2.351) 6.726 14.947 ( -4.707 -2.368 -4.336) 6.824 15.255 ( 3.313 2.631 1.100) 4.371 15.376 ( -3.036 7.109 0.844) 7.776 15.556 ( 1.727 -6.206 7.777) 10.099 15.659 ( 2.345 -3.888 7.086) 8.416 15.795 ( -0.290 -1.221 0.167) 1.266 15.817 ( -4.170 -3.144 -2.145) 5.646 15.908 ( 6.497 1.368 -0.036) 6.640 15.933 ( 4.104 -2.023 0.947) 4.673 16.067 ( -3.231 1.946 4.525) 5.891 16.242 ( -0.197 -7.620 5.743) 9.544 16.266 ( -0.203 6.818 -1.155) 6.919 16.475 ( -1.656 -2.701 2.142) 3.824 16.666 ( -0.795 4.241 0.936) 4.415 16.780 ( -1.705 0.046 -0.354) 1.742 16.813 ( 2.684 -0.225 1.325) 3.001 16.871 ( 3.506 -1.500 1.593) 4.133 16.936 ( 1.205 -0.431 -3.063) 3.320 16.945 ( 2.119 -1.011 2.637) 3.531 17.215 ( 2.146 -2.952 2.015) 4.168 17.323 ( -2.310 -6.918 -0.811) 7.338 17.438 ( 2.847 8.745 1.103) 9.263 17.497 ( 0.972 5.616 -1.099) 5.804 17.637 ( 1.838 -0.296 1.665) 2.497 17.661 ( 1.381 0.063 1.110) 1.773 17.686 ( 0.768 2.111 2.034) 3.030 17.719 ( -0.269 3.321 2.018) 3.895 17.829 ( -1.273 -1.942 7.746) 8.086 17.853 ( -2.050 -2.017 6.158) 6.797 17.923 ( 0.465 1.000 4.993) 5.113 17.961 ( -0.920 -0.637 4.090) 4.240 18.365 ( 6.884 -2.921 -2.932) 8.032 18.430 ( 4.225 -3.663 -2.221) 6.017 19.235 ( -4.353 1.578 -3.122) 5.585 19.270 ( -5.560 0.285 -2.921) 6.287 19.847 ( 0.269 -0.110 -0.002) 0.290 19.869 ( -0.907 -0.946 -0.878) 1.578 20.188 ( -1.775 1.072 5.656) 6.024 20.214 ( -3.777 0.518 7.340) 8.271 20.581 ( 6.856 3.189 -13.488) 15.463 20.698 ( -0.251 -1.880 -16.292) 16.402 23.453 ( -1.521 0.632 0.990) 1.922 23.472 ( -2.211 -0.133 0.045) 2.215 23.582 ( -2.546 -0.051 0.953) 2.719 23.585 ( -2.669 -0.047 0.859) 2.805 24.706 ( 1.100 0.843 1.933) 2.378 24.750 ( -0.704 -1.011 0.183) 1.245 24.849 ( 2.397 0.974 -1.470) 2.976 24.899 ( 0.755 -0.970 -3.260) 3.484 24.998 ( 0.157 0.385 -0.246) 0.483 25.025 ( -0.756 -0.587 -1.575) 1.843 25.613 ( 1.416 0.874 0.935) 1.909 25.637 ( 0.493 -0.251 -0.075) 0.558 25.738 ( 2.814 -0.514 1.331) 3.155 25.807 ( -1.639 -1.665 0.353) 2.363 26.144 ( 0.666 1.666 2.630) 3.184 26.253 ( -6.323 1.743 5.502) 8.561 26.555 ( 3.598 -0.598 2.915) 4.669 26.583 ( -0.555 0.586 2.418) 2.549 26.841 ( -0.159 -0.493 -4.118) 4.151 26.883 ( -3.189 -1.845 -6.535) 7.502 29.318 ( 1.265 0.502 1.193) 1.810 29.346 ( -0.017 -0.843 -0.034) 0.844 29.397 ( -1.728 0.833 0.251) 1.935 29.424 ( -3.035 -0.485 -0.938) 3.214 30.555 ( 6.744 0.858 2.454) 7.228 30.599 ( 6.957 -1.313 1.519) 7.241 30.658 ( 3.789 2.071 -1.519) 4.577 30.741 ( 1.804 -1.832 -4.404) 5.100 35.276 ( -0.834 0.447 0.365) 1.014 35.296 ( -1.599 -0.435 0.003) 1.658 35.311 ( -2.477 0.160 -0.986) 2.670 35.316 ( -2.382 -0.060 -0.987) 2.579 97.596 ( 0.838 0.280 1.746) 1.957 97.610 ( 0.733 -0.341 1.904) 2.068 97.648 ( -1.711 0.412 -0.682) 1.887 97.665 ( -1.892 -0.343 -0.718) 2.052 100.166 ( 2.038 0.708 0.971) 2.365 100.215 ( -0.118 -1.620 -1.080) 1.951 100.308 ( -2.835 0.807 -0.947) 3.096 100.318 ( -3.558 0.291 -1.117) 3.741 ======================= Grid point 126 (48/72) ======================= q-point: (-0.50 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.775 ( -10.236 -1.013 7.354) 12.644 4.775 ( 10.236 -1.013 7.354) 12.644 5.019 ( -7.529 2.134 7.566) 10.885 5.019 ( 7.529 2.134 7.566) 10.885 5.096 ( -8.928 3.128 9.852) 13.659 5.096 ( 8.928 3.128 9.852) 13.659 5.287 ( -13.649 2.368 5.455) 14.888 5.287 ( 13.649 2.368 5.455) 14.888 5.486 ( -9.430 -1.727 9.289) 13.349 5.486 ( 9.430 -1.727 9.289) 13.349 5.649 ( -4.988 0.393 9.352) 10.606 5.649 ( 4.988 0.393 9.352) 10.606 5.848 ( -5.804 0.832 -2.204) 6.264 5.848 ( 5.804 0.832 -2.204) 6.264 6.082 ( -3.249 -2.892 -7.918) 9.034 6.082 ( 3.249 -2.892 -7.918) 9.034 6.216 ( -11.048 -1.186 -3.355) 11.607 6.216 ( 11.048 -1.186 -3.355) 11.607 6.353 ( -7.749 -1.954 5.975) 9.978 6.353 ( 7.749 -1.954 5.975) 9.978 6.451 ( -12.778 -0.254 -2.870) 13.099 6.451 ( 12.778 -0.254 -2.870) 13.099 6.598 ( -12.367 -4.559 -2.753) 13.465 6.598 ( 12.367 -4.559 -2.753) 13.465 6.723 ( -9.580 -8.571 -1.470) 12.938 6.723 ( 9.580 -8.571 -1.470) 12.938 6.947 ( -9.383 4.839 -3.691) 11.184 6.947 ( 9.383 4.839 -3.691) 11.184 7.062 ( -11.291 4.265 -6.625) 13.768 7.062 ( 11.291 4.265 -6.625) 13.768 7.303 ( -11.281 -1.860 -5.740) 12.794 7.303 ( 11.281 -1.860 -5.740) 12.794 7.354 ( -8.041 -0.428 6.986) 10.660 7.354 ( 8.041 -0.428 6.986) 10.660 7.556 ( -1.234 2.813 -1.617) 3.472 7.556 ( 1.234 2.813 -1.617) 3.472 7.750 ( -5.583 9.999 2.409) 11.702 7.750 ( 5.583 9.999 2.409) 11.702 7.906 ( -3.275 -2.227 2.501) 4.684 7.906 ( 3.275 -2.227 2.501) 4.684 8.027 ( -6.298 6.174 7.154) 11.356 8.027 ( 6.298 6.174 7.154) 11.356 8.279 ( -2.714 -0.630 -3.077) 4.151 8.279 ( 2.714 -0.630 -3.077) 4.151 8.409 ( -2.773 1.897 1.164) 3.555 8.409 ( 2.773 1.897 1.164) 3.555 8.512 ( -9.534 0.134 -0.672) 9.559 8.512 ( 9.534 0.134 -0.672) 9.559 8.567 ( -2.933 -1.302 1.655) 3.610 8.567 ( 2.933 -1.302 1.655) 3.610 8.787 ( -11.446 -13.310 3.548) 17.910 8.787 ( 11.446 -13.310 3.548) 17.910 9.003 ( -7.925 -6.415 -0.353) 10.202 9.003 ( 7.925 -6.415 -0.353) 10.202 9.208 ( -6.239 -0.716 -10.100) 11.893 9.208 ( 6.239 -0.716 -10.100) 11.893 9.258 ( -2.676 5.968 -1.151) 6.641 9.258 ( 2.676 5.968 -1.151) 6.641 9.407 ( -4.253 3.512 -3.595) 6.584 9.407 ( 4.253 3.512 -3.595) 6.584 9.563 ( -2.507 -4.556 2.689) 5.854 9.563 ( 2.507 -4.556 2.689) 5.854 9.644 ( -4.381 2.140 0.810) 4.943 9.644 ( 4.381 2.140 0.810) 4.943 9.713 ( -4.517 2.312 1.771) 5.375 9.713 ( 4.517 2.312 1.771) 5.375 9.842 ( -5.062 0.632 -0.032) 5.102 9.842 ( 5.062 0.632 -0.032) 5.102 10.006 ( -1.964 3.572 2.633) 4.853 10.006 ( 1.964 3.572 2.633) 4.853 10.231 ( -3.832 -6.935 0.413) 7.934 10.231 ( 3.832 -6.935 0.413) 7.934 10.340 ( -1.326 -0.896 2.077) 2.622 10.340 ( 1.326 -0.896 2.077) 2.622 10.425 ( -4.673 1.147 -2.996) 5.668 10.425 ( 4.673 1.147 -2.996) 5.668 10.544 ( -1.686 1.187 -6.392) 6.716 10.544 ( 1.686 1.187 -6.392) 6.716 10.675 ( -4.548 -1.339 -6.672) 8.185 10.675 ( 4.548 -1.339 -6.672) 8.185 10.804 ( -3.295 8.064 -0.798) 8.748 10.804 ( 3.295 8.064 -0.798) 8.748 10.947 ( -0.778 1.820 -6.771) 7.054 10.947 ( 0.778 1.820 -6.771) 7.054 11.228 ( -1.781 -6.558 -0.464) 6.811 11.228 ( 1.781 -6.558 -0.464) 6.811 11.376 ( -2.572 -2.455 0.726) 3.629 11.376 ( 2.572 -2.455 0.726) 3.629 11.534 ( -2.047 0.420 2.834) 3.521 11.534 ( 2.047 0.420 2.834) 3.521 11.635 ( -3.855 -0.956 4.691) 6.146 11.635 ( 3.855 -0.956 4.691) 6.146 11.963 ( -1.422 3.628 -2.822) 4.811 11.963 ( 1.422 3.628 -2.822) 4.811 12.090 ( -3.244 0.549 -8.611) 9.218 12.090 ( 3.244 0.549 -8.611) 9.218 12.288 ( -2.037 0.496 2.298) 3.110 12.288 ( 2.037 0.496 2.298) 3.110 12.438 ( -2.138 -0.549 2.311) 3.196 12.438 ( 2.138 -0.549 2.311) 3.196 12.542 ( -3.713 -2.144 3.573) 5.581 12.542 ( 3.713 -2.144 3.573) 5.581 12.733 ( -3.350 5.707 -3.571) 7.520 12.733 ( 3.350 5.707 -3.571) 7.520 12.889 ( -2.372 -2.367 -3.341) 4.732 12.889 ( 2.372 -2.367 -3.341) 4.732 12.946 ( -2.029 -3.450 -1.799) 4.388 12.946 ( 2.029 -3.450 -1.799) 4.388 13.163 ( -3.988 -0.309 -1.265) 4.196 13.163 ( 3.988 -0.309 -1.265) 4.196 13.453 ( -2.196 0.752 1.852) 2.969 13.453 ( 2.196 0.752 1.852) 2.969 13.588 ( -5.193 -1.701 -7.579) 9.344 13.588 ( 5.193 -1.701 -7.579) 9.344 13.646 ( -3.349 -0.071 -0.848) 3.455 13.646 ( 3.349 -0.071 -0.848) 3.455 13.702 ( -2.936 -3.082 -5.254) 6.762 13.702 ( 2.936 -3.082 -5.254) 6.762 13.953 ( -2.451 7.638 -3.498) 8.751 13.953 ( 2.451 7.638 -3.498) 8.751 14.146 ( -3.760 1.370 1.823) 4.398 14.146 ( 3.760 1.370 1.823) 4.398 14.324 ( -3.573 0.566 1.181) 3.806 14.324 ( 3.573 0.566 1.181) 3.806 14.444 ( -3.366 -2.799 3.746) 5.762 14.444 ( 3.366 -2.799 3.746) 5.762 14.668 ( -1.391 -0.206 1.151) 1.817 14.668 ( 1.391 -0.206 1.151) 1.817 14.821 ( -6.246 1.877 -0.175) 6.524 14.821 ( 6.246 1.877 -0.175) 6.524 15.315 ( -2.982 3.692 1.005) 4.851 15.315 ( 2.982 3.692 1.005) 4.851 15.617 ( -4.159 -8.507 5.352) 10.876 15.617 ( 4.159 -8.507 5.352) 10.876 15.788 ( -0.731 -0.722 1.676) 1.966 15.788 ( 0.731 -0.722 1.676) 1.966 16.004 ( -3.342 1.716 2.138) 4.322 16.004 ( 3.342 1.716 2.138) 4.322 16.088 ( -9.704 3.362 3.187) 10.753 16.088 ( 9.704 3.362 3.187) 10.753 16.387 ( -6.562 -4.766 0.672) 8.138 16.387 ( 6.562 -4.766 0.672) 8.138 16.692 ( -3.741 3.550 -1.569) 5.391 16.692 ( 3.741 3.550 -1.569) 5.391 16.872 ( -2.030 -1.169 -2.044) 3.109 16.872 ( 2.030 -1.169 -2.044) 3.109 16.975 ( -0.926 0.239 6.943) 7.008 16.975 ( 0.926 0.239 6.943) 7.008 17.264 ( -2.879 -6.657 1.224) 7.355 17.264 ( 2.879 -6.657 1.224) 7.355 17.491 ( -1.669 7.402 -1.011) 7.655 17.491 ( 1.669 7.402 -1.011) 7.655 17.667 ( -0.901 0.263 1.719) 1.958 17.667 ( 0.901 0.263 1.719) 1.958 17.705 ( -1.198 2.569 1.980) 3.458 17.705 ( 1.198 2.569 1.980) 3.458 17.819 ( -0.793 -1.481 5.938) 6.172 17.819 ( 0.793 -1.481 5.938) 6.172 17.940 ( -1.071 0.059 4.848) 4.965 17.940 ( 1.071 0.059 4.848) 4.965 18.462 ( -1.884 -4.377 -2.113) 5.213 18.462 ( 1.884 -4.377 -2.113) 5.213 19.189 ( -1.087 1.887 -2.087) 3.016 19.189 ( 1.087 1.887 -2.087) 3.016 19.855 ( -0.528 -0.641 -0.772) 1.134 19.855 ( 0.528 -0.641 -0.772) 1.134 20.172 ( -0.486 0.750 4.388) 4.478 20.172 ( 0.486 0.750 4.388) 4.478 20.680 ( -2.691 0.364 -14.650) 14.899 20.680 ( 2.691 0.364 -14.650) 14.899 23.441 ( -0.531 0.306 0.174) 0.637 23.441 ( 0.531 0.306 0.174) 0.637 23.561 ( -0.075 -0.103 1.423) 1.429 23.561 ( 0.075 -0.103 1.423) 1.429 24.730 ( -1.207 0.180 0.906) 1.520 24.730 ( 1.207 0.180 0.906) 1.520 24.891 ( -1.514 -0.561 -2.597) 3.058 24.891 ( 1.514 -0.561 -2.597) 3.058 25.008 ( -0.820 0.309 -1.055) 1.372 25.008 ( 0.820 0.309 -1.055) 1.372 25.635 ( -0.728 -0.060 0.496) 0.883 25.635 ( 0.728 -0.060 0.496) 0.883 25.779 ( -1.545 -0.037 0.998) 1.840 25.779 ( 1.545 -0.037 0.998) 1.840 26.162 ( -2.493 -0.040 5.175) 5.744 26.162 ( 2.493 -0.040 5.175) 5.744 26.586 ( -0.319 1.547 1.088) 1.918 26.586 ( 0.319 1.547 1.088) 1.918 26.849 ( -0.811 -1.685 -4.363) 4.746 26.849 ( 0.811 -1.685 -4.363) 4.746 29.341 ( -0.806 0.073 0.141) 0.822 29.341 ( 0.806 0.073 0.141) 0.822 29.385 ( -0.768 -0.058 -0.400) 0.868 29.385 ( 0.768 -0.058 -0.400) 0.868 30.643 ( -1.916 0.566 0.221) 2.010 30.643 ( 1.916 0.566 0.221) 2.010 30.730 ( -2.867 -0.624 -0.854) 3.056 30.730 ( 2.867 -0.624 -0.854) 3.056 35.276 ( -0.802 0.117 -0.411) 0.909 35.276 ( 0.802 0.117 -0.411) 0.909 35.287 ( -0.464 -0.088 -0.325) 0.573 35.287 ( 0.464 -0.088 -0.325) 0.573 97.617 ( -1.212 0.233 0.483) 1.326 97.617 ( 1.212 0.233 0.483) 1.326 97.632 ( -1.314 -0.225 0.475) 1.415 97.632 ( 1.314 -0.225 0.475) 1.415 100.205 ( -1.469 -0.300 -0.114) 1.504 100.205 ( 1.469 -0.300 -0.114) 1.504 100.275 ( -0.098 0.341 -0.792) 0.868 100.275 ( 0.098 0.341 -0.792) 0.868 ======================= Grid point 132 (49/72) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.621 ( 0.000 -15.820 33.689) 37.218 2.621 ( 0.000 15.820 33.689) 37.218 2.831 ( 0.000 -19.903 34.088) 39.473 2.831 ( 0.000 19.903 34.088) 39.473 4.058 ( 0.000 -7.461 -32.338) 33.187 4.058 ( 0.000 7.461 -32.338) 33.187 4.333 ( 0.000 -17.877 -16.197) 24.123 4.333 ( 0.000 17.877 -16.197) 24.123 4.514 ( 0.000 -46.363 32.619) 56.688 4.514 ( 0.000 46.363 32.619) 56.688 5.178 ( 0.000 -27.339 13.717) 30.587 5.178 ( 0.000 27.339 13.717) 30.587 5.504 ( 0.000 -24.026 16.947) 29.402 5.504 ( 0.000 24.026 16.947) 29.402 5.881 ( 0.000 -15.777 -20.317) 25.723 5.881 ( 0.000 15.777 -20.317) 25.723 6.125 ( 0.000 -8.572 2.070) 8.819 6.125 ( 0.000 8.572 2.070) 8.819 6.444 ( 0.000 -4.510 -3.048) 5.443 6.444 ( 0.000 4.510 -3.048) 5.443 6.634 ( 0.000 -7.490 2.016) 7.757 6.634 ( 0.000 7.490 2.016) 7.757 6.962 ( 0.000 -1.652 1.975) 2.575 6.962 ( 0.000 1.652 1.975) 2.575 7.027 ( 0.000 -5.547 -21.915) 22.606 7.027 ( 0.000 5.547 -21.915) 22.606 7.169 ( 0.000 -1.363 -20.542) 20.587 7.169 ( 0.000 1.363 -20.542) 20.587 7.307 ( 0.000 -6.037 1.905) 6.330 7.307 ( 0.000 6.037 1.905) 6.330 7.485 ( 0.000 -0.197 -1.824) 1.835 7.485 ( 0.000 0.197 -1.824) 1.835 7.544 ( 0.000 -1.957 5.510) 5.847 7.544 ( 0.000 1.957 5.510) 5.847 7.862 ( 0.000 -3.683 9.155) 9.868 7.862 ( 0.000 3.683 9.155) 9.868 7.972 ( 0.000 -0.859 -6.456) 6.513 7.972 ( 0.000 0.859 -6.456) 6.513 8.040 ( 0.000 -1.928 9.781) 9.969 8.040 ( 0.000 1.928 9.781) 9.969 8.278 ( 0.000 -0.102 -4.495) 4.496 8.278 ( 0.000 0.102 -4.495) 4.496 8.318 ( 0.000 -10.142 9.021) 13.574 8.318 ( 0.000 10.142 9.021) 13.574 8.431 ( 0.000 -0.501 7.709) 7.725 8.431 ( 0.000 0.501 7.709) 7.725 8.509 ( 0.000 -3.305 11.105) 11.586 8.509 ( 0.000 3.305 11.105) 11.586 8.763 ( 0.000 -4.367 -3.702) 5.725 8.763 ( 0.000 4.367 -3.702) 5.725 8.793 ( 0.000 -3.116 -3.748) 4.874 8.793 ( 0.000 3.116 -3.748) 4.874 8.914 ( 0.000 -12.891 7.505) 14.916 8.914 ( 0.000 12.891 7.505) 14.916 9.244 ( 0.000 -13.706 -2.044) 13.857 9.244 ( 0.000 13.706 -2.044) 13.857 9.461 ( 0.000 -6.621 -0.239) 6.626 9.461 ( 0.000 6.621 -0.239) 6.626 9.564 ( 0.000 -5.602 -7.071) 9.021 9.564 ( 0.000 5.602 -7.071) 9.021 9.812 ( 0.000 -5.697 -12.967) 14.163 9.812 ( 0.000 5.697 -12.967) 14.163 9.830 ( 0.000 -2.231 -12.337) 12.537 9.830 ( 0.000 2.231 -12.337) 12.537 9.958 ( 0.000 -2.558 -0.254) 2.570 9.958 ( 0.000 2.558 -0.254) 2.570 10.116 ( 0.000 -2.919 -2.118) 3.607 10.116 ( 0.000 2.919 -2.118) 3.607 10.208 ( 0.000 -3.674 1.831) 4.105 10.208 ( 0.000 3.674 1.831) 4.105 10.366 ( 0.000 -2.088 -4.483) 4.945 10.366 ( 0.000 2.088 -4.483) 4.945 10.479 ( 0.000 -0.410 2.880) 2.909 10.479 ( 0.000 0.410 2.880) 2.909 10.618 ( 0.000 -1.133 2.740) 2.965 10.618 ( 0.000 1.133 2.740) 2.965 10.766 ( 0.000 -0.521 0.090) 0.529 10.766 ( 0.000 0.521 0.090) 0.529 10.804 ( 0.000 -5.914 -1.565) 6.118 10.804 ( 0.000 5.914 -1.565) 6.118 10.856 ( 0.000 -2.938 0.504) 2.981 10.856 ( 0.000 2.938 0.504) 2.981 11.079 ( 0.000 -1.635 -3.244) 3.633 11.079 ( 0.000 1.635 -3.244) 3.633 11.157 ( 0.000 -5.183 1.944) 5.536 11.157 ( 0.000 5.183 1.944) 5.536 11.430 ( 0.000 -1.706 -3.590) 3.974 11.430 ( 0.000 1.706 -3.590) 3.974 11.572 ( 0.000 -5.398 -4.674) 7.140 11.572 ( 0.000 5.398 -4.674) 7.140 11.665 ( 0.000 -2.369 2.487) 3.434 11.665 ( 0.000 2.369 2.487) 3.434 11.889 ( 0.000 -2.196 -1.607) 2.721 11.889 ( 0.000 2.196 -1.607) 2.721 12.080 ( 0.000 -9.172 -1.732) 9.334 12.080 ( 0.000 9.172 -1.732) 9.334 12.231 ( 0.000 -5.262 -1.666) 5.519 12.231 ( 0.000 5.262 -1.666) 5.519 12.318 ( 0.000 -0.821 5.108) 5.174 12.318 ( 0.000 0.821 5.108) 5.174 12.530 ( 0.000 -4.017 -0.146) 4.019 12.530 ( 0.000 4.017 -0.146) 4.019 12.741 ( 0.000 -2.195 9.462) 9.713 12.741 ( 0.000 2.195 9.462) 9.713 12.997 ( 0.000 -0.521 0.823) 0.974 12.997 ( 0.000 0.521 0.823) 0.974 13.077 ( 0.000 -2.696 -0.051) 2.697 13.077 ( 0.000 2.696 -0.051) 2.697 13.142 ( 0.000 -1.682 3.453) 3.841 13.142 ( 0.000 1.682 3.453) 3.841 13.472 ( 0.000 -1.852 0.045) 1.852 13.472 ( 0.000 1.852 0.045) 1.852 13.647 ( 0.000 -5.461 -0.583) 5.492 13.647 ( 0.000 5.461 -0.583) 5.492 13.743 ( 0.000 -3.464 -1.634) 3.830 13.743 ( 0.000 3.464 -1.634) 3.830 13.853 ( 0.000 -0.136 -8.414) 8.415 13.853 ( 0.000 0.136 -8.414) 8.415 13.961 ( 0.000 -1.267 2.870) 3.138 13.961 ( 0.000 1.267 2.870) 3.138 14.273 ( 0.000 -1.220 0.160) 1.230 14.273 ( 0.000 1.220 0.160) 1.230 14.518 ( 0.000 -5.608 1.519) 5.810 14.518 ( 0.000 5.608 1.519) 5.810 14.724 ( 0.000 -6.511 1.768) 6.747 14.724 ( 0.000 6.511 1.768) 6.747 14.827 ( 0.000 -1.051 1.543) 1.867 14.827 ( 0.000 1.051 1.543) 1.867 14.914 ( 0.000 -0.570 3.088) 3.141 14.914 ( 0.000 0.570 3.088) 3.141 15.240 ( 0.000 -6.146 -7.464) 9.669 15.240 ( 0.000 6.146 -7.464) 9.669 15.350 ( 0.000 -0.006 -5.909) 5.909 15.350 ( 0.000 0.006 -5.909) 5.909 15.613 ( 0.000 -3.211 -0.609) 3.269 15.613 ( 0.000 3.211 -0.609) 3.269 15.980 ( 0.000 -2.057 6.646) 6.957 15.980 ( 0.000 2.057 6.646) 6.957 16.130 ( 0.000 -4.547 3.781) 5.914 16.130 ( 0.000 4.547 3.781) 5.914 16.328 ( 0.000 -6.163 -2.365) 6.601 16.328 ( 0.000 6.163 -2.365) 6.601 16.611 ( 0.000 -1.902 -2.542) 3.175 16.611 ( 0.000 1.902 -2.542) 3.175 16.829 ( 0.000 -2.313 3.134) 3.895 16.829 ( 0.000 2.313 3.134) 3.895 17.076 ( 0.000 -0.778 -2.146) 2.282 17.076 ( 0.000 0.778 -2.146) 2.282 17.145 ( 0.000 -3.556 -1.108) 3.725 17.145 ( 0.000 3.556 -1.108) 3.725 17.257 ( 0.000 -4.240 3.203) 5.314 17.257 ( 0.000 4.240 3.203) 5.314 17.351 ( 0.000 -5.737 -0.225) 5.742 17.351 ( 0.000 5.737 -0.225) 5.742 17.621 ( 0.000 -2.836 -2.554) 3.817 17.621 ( 0.000 2.836 -2.554) 3.817 17.801 ( 0.000 -4.015 12.729) 13.347 17.801 ( 0.000 4.015 12.729) 13.347 18.076 ( 0.000 -1.658 7.914) 8.086 18.076 ( 0.000 1.658 7.914) 8.086 18.203 ( 0.000 -10.973 -6.165) 12.586 18.203 ( 0.000 10.973 -6.165) 12.586 18.450 ( 0.000 -0.591 -8.223) 8.244 18.450 ( 0.000 0.591 -8.223) 8.244 19.871 ( 0.000 -0.986 2.559) 2.743 19.871 ( 0.000 0.986 2.559) 2.743 20.334 ( 0.000 -3.085 0.266) 3.097 20.334 ( 0.000 3.085 0.266) 3.097 21.681 ( 0.000 -18.914 2.139) 19.034 21.681 ( 0.000 18.914 2.139) 19.034 23.769 ( 0.000 -1.080 -2.360) 2.595 23.769 ( 0.000 1.080 -2.360) 2.595 23.907 ( 0.000 -0.056 0.230) 0.237 23.907 ( 0.000 0.056 0.230) 0.237 24.648 ( 0.000 -0.996 2.873) 3.040 24.648 ( 0.000 0.996 2.873) 3.040 24.729 ( 0.000 -0.466 0.482) 0.670 24.729 ( 0.000 0.466 0.482) 0.670 24.860 ( 0.000 -1.650 -1.766) 2.417 24.860 ( 0.000 1.650 -1.766) 2.417 24.958 ( 0.000 -0.259 -0.409) 0.484 24.958 ( 0.000 0.259 -0.409) 0.484 25.738 ( 0.000 -12.830 4.979) 13.762 25.738 ( 0.000 12.830 4.979) 13.762 25.949 ( 0.000 -13.994 -8.031) 16.135 25.949 ( 0.000 13.994 -8.031) 16.135 26.721 ( 0.000 -0.174 2.116) 2.123 26.721 ( 0.000 0.174 2.116) 2.123 27.343 ( 0.000 -0.721 -2.132) 2.251 27.343 ( 0.000 0.721 -2.132) 2.251 29.336 ( 0.000 -3.103 2.425) 3.938 29.336 ( 0.000 3.103 2.425) 3.938 29.796 ( 0.000 -1.201 5.680) 5.805 29.796 ( 0.000 1.201 5.680) 5.805 29.991 ( 0.000 -0.437 0.931) 1.028 29.991 ( 0.000 0.437 0.931) 1.028 30.108 ( 0.000 -0.470 -2.640) 2.681 30.108 ( 0.000 0.470 -2.640) 2.681 35.478 ( 0.000 -2.254 -1.337) 2.621 35.478 ( 0.000 2.254 -1.337) 2.621 35.513 ( 0.000 -0.172 -1.748) 1.756 35.513 ( 0.000 0.172 -1.748) 1.756 97.628 ( 0.000 -2.547 4.900) 5.522 97.628 ( 0.000 2.547 4.900) 5.522 97.790 ( 0.000 -0.566 -1.436) 1.544 97.790 ( 0.000 0.566 -1.436) 1.544 100.262 ( 0.000 -1.857 -4.811) 5.157 100.262 ( 0.000 1.857 -4.811) 5.157 100.518 ( 0.000 -2.940 -2.564) 3.901 100.518 ( 0.000 2.940 -2.564) 3.901 ======================= Grid point 134 (50/72) ======================= q-point: ( 0.10 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.834 ( 20.259 -27.716 31.230) 46.410 2.834 ( 20.259 27.716 31.230) 46.410 2.963 ( 13.883 -31.612 29.045) 45.118 2.963 ( 13.883 31.612 29.045) 45.118 4.153 ( 8.823 -5.697 -32.247) 33.914 4.153 ( 8.823 5.697 -32.247) 33.914 4.341 ( 3.652 -6.504 -25.177) 26.259 4.341 ( 3.652 6.504 -25.177) 26.259 4.784 ( 24.506 -43.976 42.822) 66.092 4.784 ( 24.506 43.976 42.822) 66.092 5.280 ( 10.160 -26.060 10.112) 29.742 5.280 ( 10.160 26.060 10.112) 29.742 5.591 ( 8.593 -23.306 16.642) 29.899 5.591 ( 8.593 23.306 16.642) 29.899 5.914 ( 2.957 -14.166 -14.324) 20.362 5.914 ( 2.957 14.166 -14.324) 20.362 6.143 ( 0.745 -7.261 5.152) 8.934 6.143 ( 0.745 7.261 5.152) 8.934 6.474 ( 2.013 -8.753 -0.184) 8.983 6.474 ( 2.013 8.753 -0.184) 8.983 6.614 ( -1.814 -6.994 0.953) 7.288 6.614 ( -1.814 6.994 0.953) 7.288 6.962 ( -1.998 -4.168 0.418) 4.641 6.962 ( -1.998 4.168 0.418) 4.641 7.037 ( 0.264 -6.036 -14.533) 15.739 7.037 ( 0.264 6.036 -14.533) 15.739 7.136 ( -3.943 -4.389 -6.395) 8.702 7.136 ( -3.943 4.389 -6.395) 8.702 7.354 ( 3.892 -5.559 -5.833) 8.948 7.354 ( 3.892 5.559 -5.833) 8.948 7.461 ( -1.635 -6.756 -4.697) 8.389 7.461 ( -1.635 6.756 -4.697) 8.389 7.477 ( -1.649 -4.340 -1.765) 4.967 7.477 ( -1.649 4.340 -1.765) 4.967 7.746 ( -11.237 -6.116 6.298) 14.260 7.746 ( -11.237 6.116 6.298) 14.260 7.930 ( -5.419 -4.600 2.858) 7.662 7.930 ( -5.419 4.600 2.858) 7.662 8.093 ( -3.119 -3.767 1.325) 5.067 8.093 ( -3.119 3.767 1.325) 5.067 8.160 ( -1.013 -3.070 -4.593) 5.616 8.160 ( -1.013 3.070 -4.593) 5.616 8.229 ( -6.058 -8.325 -4.248) 11.138 8.229 ( -6.058 8.325 -4.248) 11.138 8.297 ( -9.422 -5.043 3.680) 11.303 8.297 ( -9.422 5.043 3.680) 11.303 8.580 ( 2.533 -7.377 4.889) 9.205 8.580 ( 2.533 7.377 4.889) 9.205 8.814 ( 5.165 -8.829 10.215) 14.456 8.814 ( 5.165 8.829 10.215) 14.456 8.875 ( 2.009 -1.782 3.688) 4.562 8.875 ( 2.009 1.782 3.688) 4.562 9.025 ( 9.343 -4.765 -0.082) 10.489 9.025 ( 9.343 4.765 -0.082) 10.489 9.245 ( -0.305 -7.642 -3.295) 8.328 9.245 ( -0.305 7.642 -3.295) 8.328 9.362 ( -6.544 -11.550 3.288) 13.677 9.362 ( -6.544 11.550 3.288) 13.677 9.573 ( -1.536 -4.272 -7.787) 9.014 9.573 ( -1.536 4.272 -7.787) 9.014 9.690 ( -2.800 -2.707 -14.742) 15.248 9.690 ( -2.800 2.707 -14.742) 15.248 9.889 ( -0.814 -4.562 -6.832) 8.256 9.889 ( -0.814 4.562 -6.832) 8.256 10.005 ( 1.986 -3.337 -1.762) 4.264 10.005 ( 1.986 3.337 -1.762) 4.264 10.086 ( -6.129 -7.472 3.023) 10.126 10.086 ( -6.129 7.472 3.023) 10.126 10.219 ( 0.457 -2.508 -3.489) 4.321 10.219 ( 0.457 2.508 -3.489) 4.321 10.293 ( -1.640 -0.757 0.713) 1.942 10.293 ( -1.640 0.757 0.713) 1.942 10.411 ( -9.158 -0.559 -4.022) 10.018 10.411 ( -9.158 0.559 -4.022) 10.018 10.562 ( -7.207 -3.895 2.787) 8.653 10.562 ( -7.207 3.895 2.787) 8.653 10.628 ( -3.640 -2.011 0.342) 4.173 10.628 ( -3.640 2.011 0.342) 4.173 10.819 ( 2.334 -0.817 -3.160) 4.012 10.819 ( 2.334 0.817 -3.160) 4.012 10.929 ( -3.529 -1.534 -1.485) 4.124 10.929 ( -3.529 1.534 -1.485) 4.124 11.041 ( 1.599 -2.849 -5.016) 5.986 11.041 ( 1.599 2.849 -5.016) 5.986 11.151 ( 0.470 -2.375 1.559) 2.880 11.151 ( 0.470 2.375 1.559) 2.880 11.299 ( -4.570 -5.198 0.881) 6.977 11.299 ( -4.570 5.198 0.881) 6.977 11.566 ( 0.794 -4.403 -3.494) 5.677 11.566 ( 0.794 4.403 -3.494) 5.677 11.828 ( 3.003 -1.645 7.462) 8.210 11.828 ( 3.003 1.645 7.462) 8.210 11.916 ( -4.200 -5.439 0.596) 6.898 11.916 ( -4.200 5.439 0.596) 6.898 12.096 ( 9.672 -2.840 -5.220) 11.352 12.096 ( 9.672 2.840 -5.220) 11.352 12.247 ( -0.604 -1.657 -3.711) 4.108 12.247 ( -0.604 1.657 -3.711) 4.108 12.388 ( 5.746 -2.238 2.157) 6.533 12.388 ( 5.746 2.238 2.157) 6.533 12.556 ( 4.543 -4.557 3.492) 7.321 12.556 ( 4.543 4.557 3.492) 7.321 12.779 ( 4.577 -3.859 4.940) 7.761 12.779 ( 4.577 3.859 4.940) 7.761 12.958 ( -5.407 -1.591 0.846) 5.700 12.958 ( -5.407 1.591 0.846) 5.700 13.039 ( 0.014 -4.072 2.026) 4.548 13.039 ( 0.014 4.072 2.026) 4.548 13.177 ( 1.344 -4.680 2.375) 5.417 13.177 ( 1.344 4.680 2.375) 5.417 13.443 ( -3.639 -3.732 1.916) 5.554 13.443 ( -3.639 3.732 1.916) 5.554 13.663 ( -1.340 -1.555 -2.194) 3.005 13.663 ( -1.340 1.555 -2.194) 3.005 13.705 ( 0.202 -3.946 -0.428) 3.974 13.705 ( 0.202 3.946 -0.428) 3.974 13.866 ( 0.498 -2.117 -6.048) 6.427 13.866 ( 0.498 2.117 -6.048) 6.427 13.951 ( -0.335 -0.334 -0.181) 0.507 13.951 ( -0.335 0.334 -0.181) 0.507 14.277 ( 0.226 -5.537 1.898) 5.858 14.277 ( 0.226 5.537 1.898) 5.858 14.400 ( -7.676 -7.728 -0.726) 10.917 14.400 ( -7.676 7.728 -0.726) 10.917 14.707 ( -1.370 -3.741 3.344) 5.201 14.707 ( -1.370 3.741 3.344) 5.201 14.788 ( -8.064 -1.218 2.620) 8.566 14.788 ( -8.064 1.218 2.620) 8.566 15.019 ( 5.538 -4.925 -0.426) 7.424 15.019 ( 5.538 4.925 -0.426) 7.424 15.192 ( -3.838 -4.594 -7.578) 9.657 15.192 ( -3.838 4.594 -7.578) 9.657 15.366 ( 0.425 -4.491 3.485) 5.700 15.366 ( 0.425 4.491 3.485) 5.700 15.641 ( 8.412 -2.193 -2.855) 9.150 15.641 ( 8.412 2.193 -2.855) 9.150 15.969 ( -0.885 -4.728 4.818) 6.808 15.969 ( -0.885 4.728 4.818) 6.808 16.089 ( -4.119 -8.068 2.574) 9.417 16.089 ( -4.119 8.068 2.574) 9.417 16.321 ( -1.007 -7.442 -3.338) 8.218 16.321 ( -1.007 7.442 -3.338) 8.218 16.533 ( -5.131 -5.313 -3.023) 7.981 16.533 ( -5.131 5.313 -3.023) 7.981 16.849 ( 0.398 -0.129 1.340) 1.404 16.849 ( 0.398 0.129 1.340) 1.404 17.015 ( -0.522 -2.322 -2.632) 3.549 17.015 ( -0.522 2.322 -2.632) 3.549 17.148 ( -0.690 -5.116 2.367) 5.679 17.148 ( -0.690 5.116 2.367) 5.679 17.358 ( 6.443 -2.885 1.361) 7.189 17.358 ( 6.443 2.885 1.361) 7.189 17.452 ( 7.441 -4.092 0.005) 8.493 17.452 ( 7.441 4.092 0.005) 8.493 17.635 ( 1.654 -1.563 -2.309) 3.241 17.635 ( 1.654 1.563 -2.309) 3.241 17.783 ( -1.180 -3.512 10.411) 11.050 17.783 ( -1.180 3.512 10.411) 11.050 18.027 ( -2.905 -0.957 7.307) 7.921 18.027 ( -2.905 0.957 7.307) 7.921 18.233 ( 1.090 -8.678 -5.205) 10.178 18.233 ( 1.090 8.678 -5.205) 10.178 18.672 ( 19.716 -2.310 -6.704) 20.952 18.672 ( 19.716 2.310 -6.704) 20.952 19.871 ( 0.011 -1.117 2.130) 2.405 19.871 ( 0.011 1.117 2.130) 2.405 20.308 ( -2.374 -2.972 0.530) 3.841 20.308 ( -2.374 2.972 0.530) 3.841 21.405 ( -23.422 -12.576 2.232) 26.678 21.405 ( -23.422 12.576 2.232) 26.678 23.694 ( -5.974 -0.648 -0.726) 6.052 23.694 ( -5.974 0.648 -0.726) 6.052 23.890 ( -2.805 -0.179 -0.053) 2.811 23.890 ( -2.805 0.179 -0.053) 2.811 24.668 ( 1.020 -0.564 3.858) 4.030 24.668 ( 1.020 0.564 3.858) 4.030 24.801 ( 2.514 -1.714 -2.621) 4.016 24.801 ( 2.514 1.714 -2.621) 4.016 24.914 ( 4.126 -1.652 0.346) 4.458 24.914 ( 4.126 1.652 0.346) 4.458 25.105 ( 16.748 -2.242 -2.362) 17.062 25.105 ( 16.748 2.242 -2.362) 17.062 25.738 ( 0.021 -12.082 4.482) 12.887 25.738 ( 0.021 12.082 4.482) 12.887 25.969 ( 2.415 -13.987 -7.158) 15.897 25.969 ( 2.415 13.987 -7.158) 15.897 26.702 ( -1.982 -3.466 2.713) 4.827 26.702 ( -1.982 3.466 2.713) 4.827 27.266 ( -7.360 -0.760 -2.025) 7.671 27.266 ( -7.360 0.760 -2.025) 7.671 29.329 ( -0.598 -2.911 2.525) 3.900 29.329 ( -0.598 2.911 2.525) 3.900 29.718 ( -6.568 -0.933 4.409) 7.965 29.718 ( -6.568 0.933 4.409) 7.965 30.040 ( 5.871 -1.161 3.045) 6.714 30.040 ( 5.871 1.161 3.045) 6.714 30.230 ( 9.722 -2.923 -5.348) 11.474 30.230 ( 9.722 2.923 -5.348) 11.474 35.451 ( -2.572 -2.270 -0.705) 3.502 35.451 ( -2.572 2.270 -0.705) 3.502 35.493 ( -1.983 -0.097 -1.828) 2.699 35.493 ( -1.983 0.097 -1.828) 2.699 97.618 ( -0.933 -1.950 4.845) 5.305 97.618 ( -0.933 1.950 4.845) 5.305 97.774 ( -1.483 -0.728 -1.620) 2.314 97.774 ( -1.483 0.728 -1.620) 2.314 100.233 ( -2.322 -3.800 -3.268) 5.524 100.233 ( -2.322 3.800 -3.268) 5.524 100.508 ( -1.266 -2.245 -2.595) 3.658 100.508 ( -1.266 2.245 -2.595) 3.658 ======================= Grid point 136 (51/72) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.284 ( 24.463 -2.273 23.666) 34.113 3.284 ( 24.463 2.273 23.666) 34.113 3.419 ( 31.369 -6.089 22.694) 39.193 3.419 ( 31.369 6.089 22.694) 39.193 4.359 ( 11.924 -12.931 -24.316) 30.011 4.359 ( 11.924 12.931 -24.316) 30.011 4.535 ( 16.178 -14.725 -28.010) 35.540 4.535 ( 16.178 14.725 -28.010) 35.540 5.339 ( 25.597 -31.759 29.763) 50.494 5.339 ( 25.597 31.759 29.763) 50.494 5.571 ( 20.290 -18.854 11.902) 30.146 5.571 ( 20.290 18.854 11.902) 30.146 5.822 ( 14.522 -23.580 12.835) 30.523 5.822 ( 14.522 23.580 12.835) 30.523 5.996 ( 5.487 -9.292 2.563) 11.091 5.996 ( 5.487 9.292 2.563) 11.091 6.122 ( -1.506 -3.709 8.774) 9.644 6.122 ( -1.506 3.709 8.774) 9.644 6.465 ( -4.348 -12.840 2.111) 13.720 6.465 ( -4.348 12.840 2.111) 13.720 6.545 ( -5.574 -3.861 3.441) 7.604 6.545 ( -5.574 3.861 3.441) 7.604 6.852 ( -8.343 -3.535 4.628) 10.174 6.852 ( -8.343 3.535 4.628) 10.174 6.980 ( -3.833 -7.770 -4.445) 9.738 6.980 ( -3.833 7.770 -4.445) 9.738 7.075 ( -4.516 -3.433 -6.463) 8.599 7.075 ( -4.516 3.433 -6.463) 8.599 7.283 ( -7.889 -2.928 4.472) 9.530 7.283 ( -7.889 2.928 4.472) 9.530 7.442 ( -3.886 -4.308 6.006) 8.351 7.442 ( -3.886 4.308 6.006) 8.351 7.518 ( -0.400 -8.256 -0.030) 8.266 7.518 ( -0.400 8.256 -0.030) 8.266 7.704 ( 6.467 -7.217 -25.971) 27.720 7.704 ( 6.467 7.217 -25.971) 27.720 7.749 ( -5.085 -1.652 -6.669) 8.548 7.749 ( -5.085 1.652 -6.669) 8.548 7.893 ( -9.007 -9.007 -2.810) 13.044 7.893 ( -9.007 9.007 -2.810) 13.044 8.024 ( -8.696 -5.099 0.993) 10.130 8.024 ( -8.696 5.099 0.993) 10.130 8.157 ( -6.060 -3.365 -6.591) 9.565 8.157 ( -6.060 3.365 -6.591) 9.565 8.357 ( 5.914 -7.797 -4.785) 10.893 8.357 ( 5.914 7.797 -4.785) 10.893 8.564 ( -2.035 -9.375 3.897) 10.355 8.564 ( -2.035 9.375 3.897) 10.355 8.805 ( -5.659 -11.144 8.340) 15.026 8.805 ( -5.659 11.144 8.340) 15.026 8.874 ( -0.530 -4.499 -1.766) 4.863 8.874 ( -0.530 4.499 -1.766) 4.863 9.171 ( 3.814 -4.651 1.601) 6.224 9.171 ( 3.814 4.651 1.601) 6.224 9.233 ( -0.110 -3.873 5.536) 6.757 9.233 ( -0.110 3.873 5.536) 6.757 9.300 ( -0.285 -7.442 -4.525) 8.714 9.300 ( -0.285 7.442 -4.525) 8.714 9.514 ( -6.616 -3.785 -1.259) 7.726 9.514 ( -6.616 3.785 -1.259) 7.726 9.638 ( -5.446 -3.264 -11.065) 12.757 9.638 ( -5.446 3.264 -11.065) 12.757 9.824 ( -7.052 -2.339 -0.220) 7.433 9.824 ( -7.052 2.339 -0.220) 7.433 9.878 ( -2.829 -1.854 -0.949) 3.513 9.878 ( -2.829 1.854 -0.949) 3.513 10.015 ( -3.191 -0.955 -4.828) 5.866 10.015 ( -3.191 0.955 -4.828) 5.866 10.228 ( -0.404 -1.174 -6.885) 6.996 10.228 ( -0.404 1.174 -6.885) 6.996 10.275 ( -1.499 -0.470 0.196) 1.583 10.275 ( -1.499 0.470 0.196) 1.583 10.322 ( -0.865 -1.527 -0.156) 1.762 10.322 ( -0.865 1.527 -0.156) 1.762 10.422 ( -3.612 -2.505 0.606) 4.437 10.422 ( -3.612 2.505 0.606) 4.437 10.553 ( -6.116 -3.638 -0.226) 7.120 10.553 ( -6.116 3.638 -0.226) 7.120 10.798 ( -3.448 -1.798 -2.446) 4.593 10.798 ( -3.448 1.798 -2.446) 4.593 10.893 ( 2.482 -5.653 -3.012) 6.869 10.893 ( 2.482 5.653 -3.012) 6.869 11.057 ( -3.142 -1.834 2.055) 4.179 11.057 ( -3.142 1.834 2.055) 4.179 11.149 ( -0.743 -3.012 0.226) 3.110 11.149 ( -0.743 3.012 0.226) 3.110 11.306 ( 4.190 -4.834 2.812) 6.988 11.306 ( 4.190 4.834 2.812) 6.988 11.534 ( -2.195 -4.336 -5.387) 7.256 11.534 ( -2.195 4.336 -5.387) 7.256 11.833 ( -0.797 -3.787 2.197) 4.450 11.833 ( -0.797 3.787 2.197) 4.450 11.945 ( 6.556 -4.647 3.581) 8.798 11.945 ( 6.556 4.647 3.581) 8.798 12.148 ( -4.904 -3.398 -2.902) 6.635 12.148 ( -4.904 3.398 -2.902) 6.635 12.275 ( 4.943 -5.781 -4.974) 9.088 12.275 ( 4.943 5.781 -4.974) 9.088 12.470 ( 2.442 -1.392 0.472) 2.851 12.470 ( 2.442 1.392 0.472) 2.851 12.644 ( 1.113 -2.761 2.919) 4.170 12.644 ( 1.113 2.761 2.919) 4.170 12.818 ( -4.444 -3.726 0.490) 5.820 12.818 ( -4.444 3.726 0.490) 5.820 12.960 ( 8.857 -2.270 3.782) 9.894 12.960 ( 8.857 2.270 3.782) 9.894 13.053 ( -1.294 -4.401 2.997) 5.480 13.053 ( -1.294 4.401 2.997) 5.480 13.180 ( 0.562 -4.825 0.266) 4.865 13.180 ( 0.562 4.825 0.266) 4.865 13.342 ( -7.087 -2.146 3.418) 8.156 13.342 ( -7.087 2.146 3.418) 8.156 13.529 ( -8.012 -3.447 -2.300) 9.020 13.529 ( -8.012 3.447 -2.300) 9.020 13.754 ( 1.283 -2.846 0.342) 3.141 13.754 ( 1.283 2.846 0.342) 3.141 13.907 ( 3.300 -3.514 -1.929) 5.192 13.907 ( 3.300 3.514 -1.929) 5.192 14.004 ( 5.873 -2.322 -3.117) 7.043 14.004 ( 5.873 2.322 -3.117) 7.043 14.176 ( -4.415 -3.995 -1.904) 6.251 14.176 ( -4.415 3.995 -1.904) 6.251 14.416 ( 3.531 -4.134 3.146) 6.282 14.416 ( 3.531 4.134 3.146) 6.282 14.489 ( -17.188 -3.987 2.070) 17.765 14.489 ( -17.188 3.987 2.070) 17.765 14.683 ( -3.431 -4.051 1.126) 5.427 14.683 ( -3.431 4.051 1.126) 5.427 14.895 ( -10.903 -3.816 -6.968) 13.490 14.895 ( -10.903 3.816 -6.968) 13.490 15.269 ( 5.843 -11.914 5.698) 14.441 15.269 ( 5.843 11.914 5.698) 14.441 15.409 ( 5.802 -10.221 2.832) 12.090 15.409 ( 5.802 10.221 2.832) 12.090 15.848 ( 3.661 -5.292 -0.408) 6.448 15.848 ( 3.661 5.292 -0.408) 6.448 15.947 ( -3.779 -2.697 -1.065) 4.764 15.947 ( -3.779 2.697 -1.065) 4.764 16.022 ( 3.764 -3.175 1.786) 5.238 16.022 ( 3.764 3.175 1.786) 5.238 16.315 ( 2.090 -5.400 -0.993) 5.875 16.315 ( 2.090 5.400 -0.993) 5.875 16.506 ( 2.868 -6.074 -1.686) 6.926 16.506 ( 2.868 6.074 -1.686) 6.926 16.855 ( -0.319 -1.428 0.160) 1.472 16.855 ( -0.319 1.428 0.160) 1.472 16.960 ( -3.623 -2.003 -2.633) 4.906 16.960 ( -3.623 2.003 -2.633) 4.906 17.205 ( 3.815 -5.447 0.229) 6.654 17.205 ( 3.815 5.447 0.229) 6.654 17.440 ( 2.961 -5.533 3.048) 6.976 17.440 ( 2.961 5.533 3.048) 6.976 17.578 ( 4.581 -0.493 1.019) 4.719 17.578 ( 4.581 0.493 1.019) 4.719 17.675 ( 1.628 -2.986 -1.242) 3.621 17.675 ( 1.628 2.986 -1.242) 3.621 17.785 ( 1.889 -1.859 7.199) 7.671 17.785 ( 1.889 1.859 7.199) 7.671 17.978 ( -2.127 -1.058 6.941) 7.336 17.978 ( -2.127 1.058 6.941) 7.336 18.247 ( 0.789 -5.524 -4.312) 7.052 18.247 ( 0.789 5.524 -4.312) 7.052 19.071 ( 17.884 -1.797 -5.864) 18.906 19.071 ( 17.884 1.797 -5.864) 18.906 19.872 ( -0.020 -1.339 1.182) 1.786 19.872 ( -0.020 1.339 1.182) 1.786 20.261 ( -1.725 -2.163 2.015) 3.423 20.261 ( -1.725 2.163 2.015) 3.423 20.946 ( -20.699 -7.611 -1.298) 22.092 20.946 ( -20.699 7.611 -1.298) 22.092 23.581 ( -5.016 -0.369 0.332) 5.041 23.581 ( -5.016 0.369 0.332) 5.041 23.796 ( -6.231 -0.190 0.044) 6.234 23.796 ( -6.231 0.190 0.044) 6.234 24.689 ( 1.168 -0.754 3.305) 3.586 24.689 ( 1.168 0.754 3.305) 3.586 24.829 ( 1.126 -0.577 -2.914) 3.177 24.829 ( 1.126 0.577 -2.914) 3.177 24.975 ( 2.206 -1.394 0.151) 2.614 24.975 ( 2.206 1.394 0.151) 2.614 25.437 ( 12.982 -3.285 -1.950) 13.533 25.437 ( 12.982 3.285 -1.950) 13.533 25.738 ( -0.026 -10.040 2.813) 10.426 25.738 ( -0.026 10.040 2.813) 10.426 26.067 ( 7.899 -13.593 -4.374) 16.319 26.067 ( 7.899 13.593 -4.374) 16.319 26.643 ( -4.100 -6.324 4.330) 8.692 26.643 ( -4.100 6.324 4.330) 8.692 27.089 ( -9.614 -3.062 -3.077) 10.549 27.089 ( -9.614 3.062 -3.077) 10.549 29.319 ( -0.277 -2.354 2.356) 3.341 29.319 ( -0.277 2.354 2.356) 3.341 29.585 ( -6.385 -1.950 2.043) 6.982 29.585 ( -6.385 1.950 2.043) 6.982 30.203 ( 10.016 -0.449 4.380) 10.941 30.203 ( 10.016 0.449 4.380) 10.941 30.431 ( 10.013 -3.975 -7.064) 12.882 30.431 ( 10.013 3.975 -7.064) 12.882 35.389 ( -3.430 -1.853 0.152) 3.902 35.389 ( -3.430 1.853 0.152) 3.902 35.440 ( -3.241 -0.069 -1.795) 3.706 35.440 ( -3.241 0.069 -1.795) 3.706 97.600 ( -0.703 -1.030 4.290) 4.468 97.600 ( -0.703 1.030 4.290) 4.468 97.738 ( -2.127 -0.740 -1.807) 2.887 97.738 ( -2.127 0.740 -1.807) 2.887 100.192 ( -1.590 -3.935 -1.161) 4.400 100.192 ( -1.590 3.935 -1.161) 4.400 100.464 ( -3.151 -1.188 -2.240) 4.044 100.464 ( -3.151 1.188 -2.240) 4.044 ======================= Grid point 138 (52/72) ======================= q-point: ( 0.30 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.816 ( 29.557 -10.352 16.476) 35.387 3.816 ( 29.557 10.352 16.476) 35.387 4.070 ( 33.674 -6.576 18.143) 38.812 4.070 ( 33.674 6.576 18.143) 38.812 4.632 ( 15.613 -7.206 -12.253) 21.115 4.632 ( 15.613 7.206 -12.253) 21.115 4.920 ( 21.725 -4.968 -21.381) 30.884 4.920 ( 21.725 4.968 -21.381) 30.884 5.643 ( 6.585 -14.437 5.847) 16.911 5.643 ( 6.585 14.437 5.847) 16.911 5.856 ( 3.935 -7.343 5.472) 9.967 5.856 ( 3.935 7.343 5.472) 9.967 5.967 ( -0.712 -8.234 17.277) 19.152 5.967 ( -0.712 8.234 17.277) 19.152 6.065 ( 2.838 -6.290 3.735) 7.846 6.065 ( 2.838 6.290 3.735) 7.846 6.257 ( -6.327 -10.311 2.955) 12.453 6.257 ( -6.327 10.311 2.955) 12.453 6.403 ( 0.380 -6.453 7.649) 10.014 6.403 ( 0.380 6.453 7.649) 10.014 6.490 ( 10.234 -8.267 6.822) 14.819 6.490 ( 10.234 8.267 6.822) 14.819 6.711 ( -0.580 -4.943 5.533) 7.442 6.711 ( -0.580 4.943 5.533) 7.442 6.875 ( -4.594 -5.113 4.134) 8.021 6.875 ( -4.594 5.113 4.134) 8.021 6.960 ( -7.194 -3.667 -0.691) 8.104 6.960 ( -7.194 3.667 -0.691) 8.104 7.140 ( -3.827 -0.977 1.266) 4.147 7.140 ( -3.827 0.977 1.266) 4.147 7.366 ( -2.936 -6.095 0.327) 6.774 7.366 ( -2.936 6.095 0.327) 6.774 7.443 ( -9.357 -3.886 3.327) 10.664 7.443 ( -9.357 3.886 3.327) 10.664 7.635 ( -1.486 -1.204 -2.227) 2.936 7.635 ( -1.486 1.204 -2.227) 2.936 7.732 ( 1.683 -11.683 0.131) 11.804 7.732 ( 1.683 11.683 0.131) 11.804 7.829 ( -4.838 -4.078 -16.131) 17.328 7.829 ( -4.838 4.078 -16.131) 17.328 7.968 ( -3.258 -10.001 -4.029) 11.264 7.968 ( -3.258 10.001 -4.029) 11.264 8.179 ( 8.036 -3.561 -17.657) 19.724 8.179 ( 8.036 3.561 -17.657) 19.724 8.292 ( -2.903 -2.807 5.335) 6.691 8.292 ( -2.903 2.807 5.335) 6.691 8.580 ( -1.606 -2.431 0.961) 3.068 8.580 ( -1.606 2.431 0.961) 3.068 8.677 ( -6.888 -5.137 3.631) 9.328 8.677 ( -6.888 5.137 3.631) 9.328 8.875 ( 0.604 -6.056 -4.829) 7.769 8.875 ( 0.604 6.056 -4.829) 7.769 9.094 ( -13.847 -1.241 -3.841) 14.424 9.094 ( -13.847 1.241 -3.841) 14.424 9.227 ( 0.703 -3.493 2.574) 4.395 9.227 ( 0.703 3.493 2.574) 4.395 9.309 ( -3.148 -3.111 -5.654) 7.180 9.309 ( -3.148 3.111 -5.654) 7.180 9.377 ( 4.733 -1.290 3.355) 5.943 9.377 ( 4.733 1.290 3.355) 5.943 9.553 ( -5.225 -1.069 -3.957) 6.641 9.553 ( -5.225 1.069 -3.957) 6.641 9.717 ( -1.824 -4.656 2.184) 5.456 9.717 ( -1.824 4.656 2.184) 5.456 9.860 ( -1.522 -2.292 -0.201) 2.758 9.860 ( -1.522 2.292 -0.201) 2.758 9.957 ( -4.993 -3.992 -4.726) 7.950 9.957 ( -4.993 3.992 -4.726) 7.950 10.184 ( -1.356 -2.794 -3.793) 4.902 10.184 ( -1.356 2.794 -3.793) 4.902 10.244 ( -2.173 -3.722 -5.687) 7.136 10.244 ( -2.173 3.722 -5.687) 7.136 10.331 ( -1.152 -2.294 1.095) 2.791 10.331 ( -1.152 2.294 1.095) 2.791 10.400 ( 2.163 -3.449 2.324) 4.688 10.400 ( 2.163 3.449 2.324) 4.688 10.474 ( -1.208 -1.026 -3.193) 3.565 10.474 ( -1.208 1.026 -3.193) 3.565 10.739 ( -4.915 -2.116 -0.048) 5.351 10.739 ( -4.915 2.116 -0.048) 5.351 10.868 ( -4.022 -1.393 -3.461) 5.486 10.868 ( -4.022 1.393 -3.461) 5.486 11.018 ( 2.011 -3.708 -2.620) 4.965 11.018 ( 2.011 3.708 -2.620) 4.965 11.164 ( 0.649 -4.992 5.799) 7.679 11.164 ( 0.649 4.992 5.799) 7.679 11.350 ( 0.550 -5.276 -0.413) 5.320 11.350 ( 0.550 5.276 -0.413) 5.320 11.543 ( 1.986 -2.377 1.288) 3.355 11.543 ( 1.986 2.377 1.288) 3.355 11.816 ( -3.359 -4.069 -2.078) 5.671 11.816 ( -3.359 4.069 -2.078) 5.671 11.989 ( -1.596 -3.134 -0.496) 3.552 11.989 ( -1.596 3.134 -0.496) 3.552 12.124 ( 2.769 -3.089 -1.007) 4.269 12.124 ( 2.769 3.089 -1.007) 4.269 12.316 ( -1.197 -1.458 -5.613) 5.922 12.316 ( -1.197 1.458 -5.613) 5.922 12.503 ( 1.318 -0.379 4.555) 4.757 12.503 ( 1.318 0.379 4.555) 4.757 12.658 ( 1.855 -3.678 -2.452) 4.793 12.658 ( 1.855 3.678 -2.452) 4.793 12.718 ( -5.721 -2.371 -1.367) 6.342 12.718 ( -5.721 2.371 -1.367) 6.342 12.913 ( -9.717 -3.939 6.317) 12.241 12.913 ( -9.717 3.939 6.317) 12.241 13.080 ( -5.737 -2.552 1.217) 6.396 13.080 ( -5.737 2.552 1.217) 6.396 13.141 ( 0.867 -4.520 2.987) 5.486 13.141 ( 0.867 4.520 2.987) 5.486 13.289 ( 6.056 -3.709 -2.153) 7.421 13.289 ( 6.056 3.709 -2.153) 7.421 13.471 ( 0.572 -4.325 -4.226) 6.074 13.471 ( 0.572 4.325 -4.226) 6.074 13.729 ( -3.893 -2.584 0.706) 4.726 13.729 ( -3.893 2.584 0.706) 4.726 13.973 ( 2.848 -3.703 -1.910) 5.047 13.973 ( 2.848 3.703 -1.910) 5.047 14.062 ( -1.840 -7.423 -2.897) 8.178 14.062 ( -1.840 7.423 -2.897) 8.178 14.144 ( -7.452 -1.996 0.233) 7.718 14.144 ( -7.452 1.996 0.233) 7.718 14.296 ( 7.448 -1.116 -3.542) 8.322 14.296 ( 7.448 1.116 -3.542) 8.322 14.399 ( -4.230 -3.705 5.668) 7.984 14.399 ( -4.230 3.705 5.668) 7.984 14.588 ( -6.587 -0.946 -0.298) 6.662 14.588 ( -6.587 0.946 -0.298) 6.662 14.812 ( 2.481 -9.617 -2.543) 10.253 14.812 ( 2.481 9.617 -2.543) 10.253 15.335 ( 2.157 -10.685 7.361) 13.154 15.335 ( 2.157 10.685 7.361) 13.154 15.558 ( 6.016 -6.755 2.693) 9.438 15.558 ( 6.016 6.755 2.693) 9.438 15.789 ( -3.825 -5.106 -2.749) 6.947 15.789 ( -3.825 5.106 -2.749) 6.947 15.874 ( -1.761 -3.175 -1.612) 3.972 15.874 ( -1.761 3.175 -1.612) 3.972 16.113 ( 1.642 -0.408 2.680) 3.170 16.113 ( 1.642 0.408 2.680) 3.170 16.400 ( 3.442 -3.220 4.281) 6.368 16.400 ( 3.442 3.220 4.281) 6.368 16.636 ( 9.606 -1.793 1.066) 9.830 16.636 ( 9.606 1.793 1.066) 9.830 16.820 ( -2.565 -3.347 -1.194) 4.383 16.820 ( -2.565 3.347 -1.194) 4.383 16.919 ( -0.674 -0.930 -2.685) 2.920 16.919 ( -0.674 0.930 -2.685) 2.920 17.244 ( 0.064 -3.957 -1.361) 4.185 17.244 ( 0.064 3.957 -1.361) 4.185 17.498 ( 3.054 -1.959 4.290) 5.618 17.498 ( 3.054 1.959 4.290) 5.618 17.622 ( 0.769 -0.842 0.489) 1.241 17.622 ( 0.769 0.842 0.489) 1.241 17.708 ( 1.839 -4.051 2.299) 5.008 17.708 ( 1.839 4.051 2.299) 5.008 17.825 ( 0.942 -3.894 5.774) 7.028 17.825 ( 0.942 3.894 5.774) 7.028 17.950 ( -0.675 -1.139 4.845) 5.023 17.950 ( -0.675 1.139 4.845) 5.023 18.280 ( 2.939 -3.967 -4.079) 6.404 18.280 ( 2.939 3.967 -4.079) 6.404 19.288 ( 3.766 -1.558 -4.492) 6.065 19.288 ( 3.766 1.558 -4.492) 6.065 19.865 ( -0.727 -1.299 0.323) 1.523 19.865 ( -0.727 1.299 0.323) 1.523 20.248 ( -0.539 -1.942 7.156) 7.434 20.248 ( -0.539 1.942 7.156) 7.434 20.663 ( -7.048 -7.341 -11.020) 15.000 20.663 ( -7.048 7.341 -11.020) 15.000 23.507 ( -2.662 -0.731 0.792) 2.872 23.507 ( -2.662 0.731 0.792) 2.872 23.670 ( -6.004 -0.212 0.183) 6.011 23.670 ( -6.004 0.212 0.183) 6.011 24.711 ( 1.043 -1.594 2.322) 3.003 24.711 ( 1.043 1.594 2.322) 3.003 24.852 ( 1.218 -1.441 -2.858) 3.425 24.852 ( 1.218 1.441 -2.858) 3.425 25.003 ( 0.770 -1.246 -0.578) 1.575 25.003 ( 0.770 1.246 -0.578) 1.575 25.590 ( 3.926 -1.174 -0.067) 4.099 25.590 ( 3.926 1.174 -0.067) 4.099 25.739 ( 0.316 -6.617 1.445) 6.780 25.739 ( 0.316 6.617 1.445) 6.780 26.224 ( 5.370 -11.590 0.192) 12.775 26.224 ( 5.370 11.590 0.192) 12.775 26.560 ( -2.944 -6.926 3.969) 8.508 26.560 ( -2.944 6.926 3.969) 8.508 26.929 ( -6.229 -3.245 -4.603) 8.397 26.929 ( -6.229 3.245 -4.603) 8.397 29.320 ( 0.330 -1.591 1.674) 2.333 29.320 ( 0.330 1.591 1.674) 2.333 29.479 ( -4.405 -1.569 0.136) 4.678 29.479 ( -4.405 1.569 0.136) 4.678 30.405 ( 10.058 -0.773 3.970) 10.840 30.405 ( 10.058 0.773 3.970) 10.840 30.602 ( 7.113 -3.460 -5.813) 9.816 30.602 ( 7.113 3.460 -5.813) 9.816 35.327 ( -2.792 -1.172 0.419) 3.057 35.327 ( -2.792 1.172 0.419) 3.057 35.373 ( -3.400 -0.117 -1.496) 3.717 35.373 ( -3.400 0.117 -1.496) 3.717 97.594 ( 0.076 -0.576 3.165) 3.218 97.594 ( 0.076 0.576 3.165) 3.218 97.695 ( -2.122 -0.638 -1.512) 2.682 97.695 ( -2.122 0.638 -1.512) 2.682 100.176 ( -0.111 -2.772 -0.147) 2.778 100.176 ( -0.111 2.772 -0.147) 2.778 100.392 ( -3.948 -0.700 -1.682) 4.348 100.392 ( -3.948 0.700 -1.682) 4.348 ======================= Grid point 140 (53/72) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.401 ( 28.585 -8.458 11.087) 31.805 4.401 ( 28.585 8.458 11.087) 31.805 4.698 ( 29.659 -7.532 13.842) 33.585 4.698 ( 29.659 7.532 13.842) 33.585 4.921 ( 12.122 -1.695 0.050) 12.240 4.921 ( 12.122 1.695 0.050) 12.240 5.311 ( 15.275 -2.352 -8.495) 17.636 5.311 ( 15.275 2.352 -8.495) 17.636 5.622 ( -7.097 -4.494 6.460) 10.598 5.622 ( -7.097 4.494 6.460) 10.598 5.719 ( -12.506 -2.431 4.672) 13.570 5.719 ( -12.506 2.431 4.672) 13.570 5.932 ( -4.513 -6.826 11.208) 13.877 5.932 ( -4.513 6.826 11.208) 13.877 6.130 ( -2.421 -4.393 -1.259) 5.172 6.130 ( -2.421 4.393 -1.259) 5.172 6.179 ( 0.983 -3.069 -0.353) 3.242 6.179 ( 0.983 3.069 -0.353) 3.242 6.304 ( 1.499 -5.118 -3.535) 6.398 6.304 ( 1.499 5.118 -3.535) 6.398 6.413 ( -8.047 -9.987 2.550) 13.076 6.413 ( -8.047 9.987 2.550) 13.076 6.692 ( -10.393 -5.109 5.347) 12.756 6.692 ( -10.393 5.109 5.347) 12.756 6.872 ( -7.727 -4.122 -3.258) 9.344 6.872 ( -7.727 4.122 -3.258) 9.344 6.912 ( -1.955 -6.733 -1.796) 7.237 6.912 ( -1.955 6.733 -1.796) 7.237 7.033 ( 4.971 -3.612 -1.453) 6.314 7.033 ( 4.971 3.612 -1.453) 6.314 7.359 ( -3.331 -1.724 -2.445) 4.477 7.359 ( -3.331 1.724 -2.445) 4.477 7.457 ( 3.115 -2.397 4.703) 6.129 7.457 ( 3.115 2.397 4.703) 6.129 7.565 ( -4.573 -3.366 -3.568) 6.706 7.565 ( -4.573 3.366 -3.568) 6.706 7.748 ( -0.841 -5.994 -5.488) 8.171 7.748 ( -0.841 5.994 -5.488) 8.171 7.915 ( 14.675 -5.360 8.936) 17.998 7.915 ( 14.675 5.360 8.936) 17.998 8.016 ( 9.976 -7.477 -2.395) 12.694 8.016 ( 9.976 7.477 -2.395) 12.694 8.129 ( 1.978 -8.536 5.204) 10.191 8.129 ( 1.978 8.536 5.204) 10.191 8.385 ( -3.205 -3.448 -1.422) 4.918 8.385 ( -3.205 3.448 -1.422) 4.918 8.489 ( -2.758 -2.545 0.140) 3.755 8.489 ( -2.758 2.545 0.140) 3.755 8.592 ( -1.681 -3.432 3.417) 5.127 8.592 ( -1.681 3.432 3.417) 5.127 8.726 ( -10.479 -2.517 -1.584) 10.892 8.726 ( -10.479 2.517 -1.584) 10.892 8.982 ( -1.068 -3.361 -4.885) 6.025 8.982 ( -1.068 3.361 -4.885) 6.025 9.215 ( -0.696 -2.945 -16.861) 17.130 9.215 ( -0.696 2.945 -16.861) 17.130 9.313 ( 3.565 -4.824 4.949) 7.777 9.313 ( 3.565 4.824 4.949) 7.777 9.477 ( -2.084 -2.039 -0.113) 2.918 9.477 ( -2.084 2.039 -0.113) 2.918 9.497 ( 2.062 -3.643 0.128) 4.188 9.497 ( 2.062 3.643 0.128) 4.188 9.683 ( -3.052 -3.757 4.537) 6.635 9.683 ( -3.052 3.757 4.537) 6.635 9.816 ( -4.519 -2.853 0.833) 5.409 9.816 ( -4.519 2.853 0.833) 5.409 9.844 ( -1.802 -4.174 -1.410) 4.760 9.844 ( -1.802 4.174 -1.410) 4.760 10.119 ( -4.192 -3.748 0.133) 5.625 10.119 ( -4.192 3.748 0.133) 5.625 10.177 ( -4.585 -3.814 -3.647) 6.991 10.177 ( -4.585 3.814 -3.647) 6.991 10.347 ( 0.873 -1.670 -1.783) 2.594 10.347 ( 0.873 1.670 -1.783) 2.594 10.405 ( 1.290 -4.059 -3.612) 5.584 10.405 ( 1.290 4.059 -3.612) 5.584 10.527 ( 2.105 -1.085 -2.699) 3.591 10.527 ( 2.105 1.085 -2.699) 3.591 10.644 ( -0.740 -5.276 -2.377) 5.834 10.644 ( -0.740 5.276 -2.377) 5.834 10.841 ( 1.271 -0.934 -3.718) 4.039 10.841 ( 1.271 0.934 -3.718) 4.039 11.055 ( -0.760 -2.698 -3.411) 4.415 11.055 ( -0.760 2.698 -3.411) 4.415 11.143 ( -1.674 -5.021 3.169) 6.169 11.143 ( -1.674 5.021 3.169) 6.169 11.360 ( -0.196 -1.586 0.730) 1.757 11.360 ( -0.196 1.586 0.730) 1.757 11.559 ( -0.408 -3.448 3.702) 5.076 11.559 ( -0.408 3.448 3.702) 5.076 11.683 ( -7.273 -4.142 -1.062) 8.437 11.683 ( -7.273 4.142 -1.062) 8.437 12.002 ( 1.840 -1.753 -3.021) 3.947 12.002 ( 1.840 1.753 -3.021) 3.947 12.114 ( -3.311 -5.479 -1.127) 6.501 12.114 ( -3.311 5.479 -1.127) 6.501 12.317 ( 1.580 -5.735 -4.964) 7.748 12.317 ( 1.580 5.735 -4.964) 7.748 12.446 ( -5.440 -3.312 3.033) 7.054 12.446 ( -5.440 3.312 3.033) 7.054 12.597 ( -5.770 -3.664 4.072) 7.956 12.597 ( -5.770 3.664 4.072) 7.956 12.751 ( 5.166 -1.958 -1.531) 5.733 12.751 ( 5.166 1.958 -1.531) 5.733 12.800 ( 0.559 -6.031 -0.175) 6.059 12.800 ( 0.559 6.031 -0.175) 6.059 12.968 ( -4.077 -0.292 -2.806) 4.958 12.968 ( -4.077 0.292 -2.806) 4.958 13.165 ( -0.505 -4.304 -0.001) 4.334 13.165 ( -0.505 4.304 -0.001) 4.334 13.426 ( 6.687 -4.744 -1.934) 8.424 13.426 ( 6.687 4.744 -1.934) 8.424 13.510 ( 3.269 -5.579 -3.773) 7.487 13.510 ( 3.269 5.579 -3.773) 7.487 13.632 ( -4.865 -4.326 -0.911) 6.573 13.632 ( -4.865 4.326 -0.911) 6.573 13.848 ( -11.342 -1.970 -4.047) 12.203 13.848 ( -11.342 1.970 -4.047) 12.203 14.035 ( 1.391 -1.999 -3.161) 3.990 14.035 ( 1.391 1.999 -3.161) 3.990 14.145 ( 1.666 -4.757 0.711) 5.090 14.145 ( 1.666 4.757 0.711) 5.090 14.324 ( -1.270 -2.571 2.214) 3.622 14.324 ( -1.270 2.571 2.214) 3.622 14.462 ( -4.693 -4.841 0.926) 6.806 14.462 ( -4.693 4.841 0.926) 6.806 14.525 ( 11.190 -2.076 1.268) 11.451 14.525 ( 11.190 2.076 1.268) 11.451 14.860 ( 0.398 -6.935 0.166) 6.948 14.860 ( 0.398 6.935 0.166) 6.948 15.374 ( 2.060 -9.289 5.350) 10.916 15.374 ( 2.060 9.289 5.350) 10.916 15.541 ( -4.990 -7.920 1.230) 9.441 15.541 ( -4.990 7.920 1.230) 9.441 15.787 ( -0.091 -0.429 0.390) 0.587 15.787 ( -0.091 0.429 0.390) 0.587 15.924 ( 7.567 -0.169 0.601) 7.593 15.924 ( 7.567 0.169 0.601) 7.593 16.119 ( -0.223 -4.565 3.809) 5.950 16.119 ( -0.223 4.565 3.809) 5.950 16.395 ( -3.400 -6.082 1.665) 7.164 16.395 ( -3.400 6.082 1.665) 7.164 16.750 ( -0.410 -4.062 -1.551) 4.367 16.750 ( -0.410 4.062 -1.551) 4.367 16.825 ( 3.520 -2.246 1.698) 4.507 16.825 ( 3.520 2.246 1.698) 4.507 16.933 ( 2.646 -0.915 2.164) 3.538 16.933 ( 2.646 0.915 2.164) 3.538 17.219 ( -2.118 -3.576 -0.448) 4.180 17.219 ( -2.118 3.576 -0.448) 4.180 17.557 ( 2.785 -1.795 2.490) 4.145 17.557 ( 2.785 1.795 2.490) 4.145 17.641 ( 1.260 -1.721 0.287) 2.152 17.641 ( 1.260 1.721 0.287) 2.152 17.732 ( 0.507 -2.979 2.674) 4.035 17.732 ( 0.507 2.979 2.674) 4.035 17.815 ( -1.315 -2.246 6.865) 7.342 17.815 ( -1.315 2.246 6.865) 7.342 17.944 ( -0.185 -1.187 4.200) 4.368 17.944 ( -0.185 1.187 4.200) 4.368 18.358 ( 4.369 -2.686 -4.428) 6.776 18.358 ( 4.369 2.686 -4.428) 6.776 19.264 ( -4.079 -1.180 -2.173) 4.770 19.264 ( -4.079 1.180 -2.173) 4.770 19.852 ( -0.433 -0.716 -0.447) 0.949 19.852 ( -0.433 0.716 -0.447) 0.949 20.209 ( -2.634 -0.989 7.018) 7.561 20.209 ( -2.634 0.989 7.018) 7.561 20.647 ( 2.760 -3.656 -15.504) 16.167 20.647 ( 2.760 3.656 -15.504) 16.167 23.465 ( -1.797 -0.595 0.502) 1.959 23.465 ( -1.797 0.595 0.502) 1.959 23.583 ( -2.670 -0.125 0.909) 2.823 23.583 ( -2.670 0.125 0.909) 2.823 24.727 ( 0.514 -1.370 1.419) 2.038 24.727 ( 0.514 1.370 1.419) 2.038 24.874 ( 0.978 -1.628 -2.860) 3.433 24.874 ( 0.978 1.628 -2.860) 3.433 25.011 ( 0.105 -0.896 -1.223) 1.520 25.011 ( 0.105 0.896 -1.223) 1.520 25.629 ( 0.703 -0.713 0.489) 1.115 25.629 ( 0.703 0.713 0.489) 1.115 25.758 ( 1.527 -2.686 1.975) 3.667 25.758 ( 1.527 2.686 1.975) 3.667 26.216 ( -4.190 -4.797 4.881) 8.024 26.216 ( -4.190 4.797 4.881) 8.024 26.572 ( 2.789 -1.746 -0.127) 3.293 26.572 ( 2.789 1.746 -0.127) 3.293 26.848 ( -2.289 -1.485 -4.032) 4.868 26.848 ( -2.289 1.485 -4.032) 4.868 29.331 ( 0.748 -0.830 0.754) 1.348 29.331 ( 0.748 0.830 0.754) 1.348 29.412 ( -2.490 -0.813 -0.513) 2.669 29.412 ( -2.490 0.813 -0.513) 2.669 30.575 ( 6.853 -1.304 1.988) 7.254 30.575 ( 6.853 1.304 1.988) 7.254 30.700 ( 2.858 -2.520 -2.948) 4.817 30.700 ( 2.858 2.520 -2.948) 4.817 35.286 ( -1.250 -0.604 0.141) 1.395 35.286 ( -1.250 0.604 0.141) 1.395 35.314 ( -2.430 -0.163 -0.954) 2.616 35.314 ( -2.430 0.163 -0.954) 2.616 97.603 ( 0.798 -0.431 1.812) 2.026 97.603 ( 0.798 0.431 1.812) 2.026 97.657 ( -1.807 -0.528 -0.684) 2.003 97.657 ( -1.807 0.528 -0.684) 2.003 100.186 ( 1.020 -1.468 -0.036) 1.787 100.186 ( 1.020 1.468 -0.036) 1.787 100.319 ( -3.324 -0.323 -1.077) 3.510 100.319 ( -3.324 0.323 -1.077) 3.510 ======================= Grid point 142 (54/72) ======================= q-point: (-0.50 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.768 ( -0.000 0.000 5.206) 5.206 4.768 ( 0.000 0.000 5.206) 5.206 5.018 ( 0.000 0.000 7.821) 7.821 5.018 ( -0.000 0.000 7.821) 7.821 5.171 ( 0.000 0.000 9.467) 9.467 5.171 ( -0.000 0.000 9.467) 9.467 5.297 ( -0.000 -0.000 10.076) 10.076 5.297 ( 0.000 0.000 10.076) 10.076 5.469 ( -0.000 0.000 6.919) 6.919 5.469 ( 0.000 0.000 6.919) 6.919 5.649 ( 0.000 0.000 12.757) 12.757 5.649 ( -0.000 0.000 12.757) 12.757 5.870 ( -0.000 -0.000 -1.022) 1.022 5.870 ( 0.000 0.000 -1.022) 1.022 6.051 ( 0.000 -0.000 -12.428) 12.428 6.051 ( 0.000 0.000 -12.428) 12.428 6.178 ( 0.000 -0.000 -6.288) 6.288 6.178 ( 0.000 0.000 -6.288) 6.288 6.325 ( 0.000 0.000 7.630) 7.630 6.325 ( 0.000 0.000 7.630) 7.630 6.484 ( 0.000 0.000 -1.042) 1.042 6.484 ( 0.000 0.000 -1.042) 1.042 6.537 ( -0.000 -0.000 -1.309) 1.309 6.537 ( -0.000 -0.000 -1.309) 1.309 6.622 ( -0.000 0.000 -3.523) 3.523 6.622 ( -0.000 0.000 -3.523) 3.523 7.014 ( 0.000 0.000 -4.726) 4.726 7.014 ( 0.000 0.000 -4.726) 4.726 7.109 ( 0.000 0.000 -10.991) 10.991 7.109 ( 0.000 0.000 -10.991) 10.991 7.284 ( -0.000 -0.000 9.977) 9.977 7.284 ( 0.000 0.000 9.977) 9.977 7.363 ( 0.000 0.000 0.368) 0.368 7.363 ( 0.000 0.000 0.368) 0.368 7.593 ( 0.000 0.000 -1.700) 1.700 7.593 ( 0.000 0.000 -1.700) 1.700 7.706 ( 0.000 -0.000 -2.546) 2.546 7.706 ( 0.000 0.000 -2.546) 2.546 8.044 ( 0.000 -0.000 0.225) 0.225 8.044 ( 0.000 0.000 0.225) 0.225 8.075 ( -0.000 -0.000 1.040) 1.040 8.075 ( -0.000 0.000 1.040) 1.040 8.276 ( 0.000 0.000 -0.129) 0.129 8.276 ( 0.000 0.000 -0.129) 0.129 8.459 ( 0.000 -0.000 0.395) 0.395 8.459 ( 0.000 0.000 0.395) 0.395 8.498 ( 0.000 -0.000 6.407) 6.407 8.498 ( -0.000 0.000 6.407) 6.407 8.580 ( -0.000 0.000 9.376) 9.376 8.580 ( -0.000 0.000 9.376) 9.376 8.584 ( -0.000 -0.000 -0.417) 0.417 8.584 ( 0.001 -0.000 -0.417) 0.417 8.922 ( -0.000 0.000 -2.185) 2.185 8.922 ( 0.000 0.000 -2.185) 2.185 9.194 ( 0.000 0.000 -16.202) 16.202 9.194 ( 0.000 0.000 -16.202) 16.202 9.338 ( 0.000 -0.000 4.886) 4.886 9.338 ( 0.000 0.000 4.886) 4.886 9.455 ( 0.000 -0.000 0.786) 0.786 9.455 ( 0.000 0.000 0.786) 0.786 9.487 ( 0.000 0.000 -0.886) 0.886 9.487 ( 0.000 0.000 -0.886) 0.886 9.670 ( -0.000 0.000 1.598) 1.598 9.670 ( 0.000 0.000 1.598) 1.598 9.732 ( -0.000 0.000 3.989) 3.989 9.732 ( 0.000 0.000 3.989) 3.989 9.864 ( 0.000 -0.000 2.148) 2.148 9.864 ( 0.000 0.000 2.148) 2.148 10.086 ( 0.000 -0.000 -3.081) 3.081 10.086 ( 0.000 0.000 -3.081) 3.081 10.113 ( 0.000 -0.000 -1.180) 1.180 10.113 ( 0.000 0.000 -1.180) 1.180 10.332 ( 0.000 0.000 1.352) 1.352 10.332 ( 0.000 0.000 1.352) 1.352 10.472 ( -0.000 -0.000 -7.175) 7.175 10.472 ( 0.000 0.000 -7.175) 7.175 10.502 ( 0.000 -0.000 -10.188) 10.188 10.502 ( -0.000 0.000 -10.188) 10.188 10.668 ( 0.000 0.000 2.163) 2.163 10.668 ( 0.000 -0.000 2.163) 2.163 10.930 ( 0.000 -0.000 -1.871) 1.871 10.930 ( 0.000 0.000 -1.871) 1.871 10.963 ( 0.000 0.000 -6.872) 6.872 10.963 ( 0.000 0.000 -6.872) 6.872 11.131 ( 0.000 -0.000 0.234) 0.234 11.131 ( -0.000 0.000 0.234) 0.234 11.344 ( 0.000 0.000 -0.878) 0.878 11.344 ( 0.000 0.000 -0.878) 0.878 11.554 ( 0.000 0.000 1.045) 1.045 11.554 ( 0.000 0.000 1.045) 1.045 11.611 ( -0.000 0.000 5.756) 5.756 11.611 ( 0.000 0.000 5.756) 5.756 12.026 ( -0.000 -0.000 -1.926) 1.926 12.026 ( 0.000 0.000 -1.926) 1.926 12.069 ( 0.000 0.000 -3.568) 3.568 12.069 ( 0.000 0.000 -3.568) 3.568 12.324 ( 0.000 0.000 2.990) 2.990 12.324 ( 0.000 0.000 2.990) 2.990 12.407 ( -0.000 -0.000 -5.636) 5.636 12.407 ( 0.000 0.000 -5.636) 5.636 12.521 ( 0.000 0.000 7.794) 7.794 12.521 ( 0.000 0.000 7.794) 7.794 12.811 ( 0.000 -0.000 -2.774) 2.774 12.811 ( 0.000 0.000 -2.774) 2.774 12.841 ( 0.000 -0.000 -3.306) 3.306 12.841 ( 0.000 0.000 -3.306) 3.306 12.913 ( 0.000 0.000 -4.886) 4.886 12.913 ( 0.000 0.000 -4.886) 4.886 13.153 ( 0.000 0.000 0.330) 0.330 13.153 ( 0.000 0.000 0.330) 0.330 13.496 ( 0.000 -0.000 3.451) 3.451 13.496 ( -0.000 0.000 3.451) 3.451 13.549 ( 0.000 -0.000 -5.305) 5.305 13.549 ( 0.000 0.000 -5.305) 5.305 13.641 ( -0.000 0.000 -2.691) 2.691 13.641 ( 0.000 -0.000 -2.691) 2.691 13.663 ( -0.000 0.000 -6.340) 6.340 13.663 ( 0.000 0.000 -6.340) 6.340 14.046 ( 0.000 0.000 -4.762) 4.762 14.046 ( 0.000 0.000 -4.762) 4.762 14.160 ( 0.000 0.000 2.067) 2.067 14.160 ( 0.000 0.000 2.067) 2.067 14.329 ( 0.000 -0.000 1.041) 1.041 14.329 ( 0.000 0.000 1.041) 1.041 14.397 ( 0.000 0.000 2.494) 2.494 14.397 ( 0.000 0.000 2.494) 2.494 14.684 ( -0.000 -0.000 2.023) 2.023 14.684 ( 0.000 0.000 2.023) 2.023 14.830 ( -0.000 -0.000 1.053) 1.053 14.830 ( 0.000 0.000 1.053) 1.053 15.412 ( 0.000 -0.000 4.265) 4.265 15.412 ( 0.000 0.000 4.265) 4.265 15.467 ( 0.000 0.000 1.215) 1.215 15.467 ( 0.000 0.000 1.215) 1.215 15.780 ( 0.000 0.000 0.975) 0.975 15.780 ( 0.000 0.000 0.975) 0.975 16.031 ( 0.000 0.000 2.984) 2.984 16.031 ( 0.000 0.000 2.984) 2.984 16.122 ( -0.000 0.000 4.844) 4.844 16.122 ( 0.000 0.000 4.844) 4.844 16.332 ( 0.000 -0.000 -1.522) 1.522 16.332 ( -0.000 0.000 -1.522) 1.522 16.739 ( 0.000 -0.000 -2.571) 2.571 16.739 ( 0.000 0.000 -2.571) 2.571 16.852 ( 0.000 0.000 -0.670) 0.670 16.852 ( 0.000 0.000 -0.670) 0.670 16.978 ( 0.000 0.000 7.834) 7.834 16.978 ( 0.000 0.000 7.834) 7.834 17.191 ( 0.000 0.000 0.068) 0.068 17.191 ( 0.000 -0.000 0.068) 0.068 17.589 ( 0.000 -0.000 1.178) 1.178 17.589 ( 0.000 0.000 1.178) 1.178 17.658 ( 0.000 -0.000 0.640) 0.640 17.658 ( -0.000 0.000 0.640) 0.640 17.734 ( 0.000 0.000 1.846) 1.846 17.734 ( 0.000 0.000 1.846) 1.846 17.798 ( -0.000 -0.000 7.304) 7.304 17.798 ( 0.000 0.000 7.304) 7.304 17.941 ( 0.000 -0.000 4.780) 4.780 17.941 ( 0.000 0.000 4.780) 4.780 18.410 ( 0.000 0.000 -4.663) 4.663 18.410 ( 0.000 0.000 -4.663) 4.663 19.210 ( 0.000 0.000 -0.902) 0.902 19.210 ( 0.000 0.000 -0.902) 0.902 19.848 ( 0.000 0.000 -0.847) 0.847 19.848 ( 0.000 0.000 -0.847) 0.847 20.180 ( 0.000 0.000 4.710) 4.710 20.180 ( 0.000 0.000 4.710) 4.710 20.684 ( -0.000 0.000 -15.047) 15.047 20.684 ( 0.000 0.000 -15.047) 15.047 23.444 ( 0.000 0.000 0.086) 0.086 23.444 ( 0.000 0.000 0.086) 0.086 23.560 ( 0.000 0.000 1.502) 1.502 23.560 ( 0.000 0.000 1.502) 1.502 24.732 ( 0.000 0.000 1.012) 1.012 24.732 ( 0.000 0.000 1.012) 1.012 24.885 ( 0.000 0.000 -2.789) 2.789 24.885 ( 0.000 0.000 -2.789) 2.789 25.011 ( 0.000 -0.000 -1.540) 1.540 25.011 ( 0.000 0.000 -1.540) 1.540 25.634 ( 0.000 0.000 0.435) 0.435 25.634 ( 0.000 0.000 0.435) 0.435 25.779 ( 0.000 0.000 2.616) 2.616 25.779 ( 0.000 0.000 2.616) 2.616 26.161 ( 0.000 0.000 5.279) 5.279 26.161 ( 0.000 0.000 5.279) 5.279 26.605 ( 0.000 0.000 -1.111) 1.111 26.605 ( 0.000 0.000 -1.111) 1.111 26.828 ( 0.000 0.000 -3.223) 3.223 26.828 ( 0.000 0.000 -3.223) 3.223 29.342 ( -0.000 0.000 0.132) 0.132 29.342 ( 0.000 0.000 0.132) 0.132 29.385 ( 0.000 0.000 -0.382) 0.382 29.385 ( 0.000 0.000 -0.382) 0.382 30.650 ( -0.000 0.000 -0.189) 0.189 30.650 ( 0.000 0.000 -0.189) 0.189 30.722 ( -0.000 0.000 -0.444) 0.444 30.722 ( 0.000 0.000 -0.444) 0.444 35.278 ( -0.000 0.000 -0.453) 0.453 35.278 ( 0.000 0.000 -0.453) 0.453 35.286 ( 0.000 0.000 -0.285) 0.285 35.286 ( 0.000 0.000 -0.285) 0.285 97.620 ( -0.000 0.000 0.527) 0.527 97.620 ( 0.000 0.000 0.527) 0.527 97.629 ( 0.000 0.000 0.434) 0.434 97.629 ( 0.000 0.000 0.434) 0.434 100.202 ( -0.000 -0.000 -0.267) 0.267 100.202 ( 0.000 0.000 -0.267) 0.267 100.279 ( 0.000 0.000 -0.650) 0.650 100.279 ( 0.000 0.000 -0.650) 0.650 ======================= Grid point 165 (55/72) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.874 ( 0.000 0.000 -39.809) 39.809 2.874 ( 0.000 0.000 39.809) 39.809 2.945 ( 0.000 0.000 -40.169) 40.169 2.945 ( 0.000 0.000 40.169) 40.169 4.299 ( 0.000 0.000 -32.523) 32.523 4.299 ( 0.000 0.000 32.523) 32.523 4.358 ( 0.000 0.000 -13.957) 13.957 4.358 ( 0.000 0.000 13.957) 13.957 4.605 ( 0.000 0.000 -32.827) 32.827 4.605 ( 0.000 0.000 32.827) 32.827 4.779 ( 0.000 0.000 -25.605) 25.605 4.779 ( 0.000 0.000 25.605) 25.605 5.282 ( 0.000 0.000 -10.947) 10.947 5.282 ( 0.000 0.000 10.947) 10.947 5.940 ( 0.000 0.000 -9.808) 9.808 5.940 ( 0.000 0.000 9.808) 9.808 6.365 ( 0.000 0.000 -0.802) 0.802 6.365 ( 0.000 0.000 0.802) 0.802 6.613 ( 0.000 0.000 -10.873) 10.873 6.613 ( 0.000 0.000 10.873) 10.873 6.849 ( 0.000 0.000 -8.088) 8.088 6.849 ( 0.000 0.000 8.088) 8.088 6.927 ( 0.000 0.000 -2.651) 2.651 6.927 ( 0.000 0.000 2.651) 2.651 7.050 ( 0.000 0.000 -0.823) 0.823 7.050 ( 0.000 0.000 0.823) 0.823 7.176 ( 0.000 0.000 -4.109) 4.109 7.176 ( 0.000 0.000 4.109) 4.109 7.377 ( 0.000 0.000 -12.448) 12.448 7.377 ( 0.000 0.000 12.448) 12.448 7.495 ( 0.000 0.000 -8.111) 8.111 7.495 ( 0.000 0.000 8.111) 8.111 7.641 ( 0.000 0.000 -7.058) 7.058 7.641 ( 0.000 0.000 7.058) 7.058 7.724 ( 0.000 0.000 -17.978) 17.978 7.724 ( 0.000 0.000 17.978) 17.978 7.831 ( 0.000 0.000 -24.520) 24.520 7.831 ( 0.000 0.000 24.520) 24.520 8.006 ( 0.000 0.000 -0.985) 0.985 8.006 ( 0.000 0.000 0.985) 0.985 8.066 ( 0.000 0.000 -12.848) 12.848 8.066 ( 0.000 0.000 12.848) 12.848 8.173 ( 0.000 0.000 -12.966) 12.966 8.173 ( 0.000 0.000 12.966) 12.966 8.491 ( 0.000 0.000 -8.899) 8.899 8.491 ( 0.000 0.000 8.899) 8.899 8.661 ( 0.000 0.000 -3.616) 3.616 8.661 ( 0.000 0.000 3.616) 3.616 8.705 ( 0.000 0.000 -11.509) 11.509 8.705 ( 0.000 0.000 11.509) 11.509 8.918 ( 0.000 0.000 -6.365) 6.365 8.918 ( 0.000 0.000 6.365) 6.365 8.937 ( 0.000 0.000 -4.969) 4.969 8.937 ( 0.000 0.000 4.969) 4.969 9.180 ( 0.000 0.000 -24.164) 24.164 9.180 ( 0.000 0.000 24.164) 24.164 9.195 ( 0.000 0.000 -0.421) 0.421 9.195 ( 0.000 0.000 0.421) 0.421 9.461 ( 0.000 0.000 -12.395) 12.395 9.461 ( 0.000 0.000 12.395) 12.395 9.539 ( 0.000 0.000 -1.035) 1.035 9.539 ( 0.000 0.000 1.035) 1.035 9.699 ( 0.000 0.000 -0.430) 0.430 9.699 ( 0.000 0.000 0.430) 0.430 10.035 ( 0.000 0.000 -0.638) 0.638 10.035 ( 0.000 0.000 0.638) 0.638 10.127 ( 0.000 0.000 -5.129) 5.129 10.127 ( 0.000 0.000 5.129) 5.129 10.158 ( 0.000 0.000 -2.038) 2.038 10.158 ( 0.000 0.000 2.038) 2.038 10.504 ( 0.000 0.000 -3.086) 3.086 10.504 ( 0.000 0.000 3.086) 3.086 10.604 ( 0.000 0.000 -4.293) 4.293 10.604 ( 0.000 0.000 4.293) 4.293 10.644 ( 0.000 0.000 -6.957) 6.957 10.644 ( 0.000 0.000 6.957) 6.957 10.728 ( 0.000 0.000 -0.256) 0.256 10.728 ( 0.000 0.000 0.256) 0.256 10.955 ( 0.000 0.000 -5.017) 5.017 10.955 ( 0.000 0.000 5.017) 5.017 11.009 ( 0.000 0.000 -2.371) 2.371 11.009 ( 0.000 0.000 2.371) 2.371 11.063 ( 0.000 0.000 -4.563) 4.563 11.063 ( 0.000 0.000 4.563) 4.563 11.239 ( 0.000 0.000 -8.714) 8.714 11.239 ( 0.000 0.000 8.714) 8.714 11.240 ( 0.000 0.000 -0.233) 0.233 11.240 ( 0.000 0.000 0.233) 0.233 11.503 ( 0.000 0.000 -10.142) 10.142 11.503 ( 0.000 0.000 10.142) 10.142 11.553 ( 0.000 0.000 -6.071) 6.071 11.553 ( 0.000 0.000 6.071) 6.071 11.859 ( 0.000 0.000 -1.819) 1.819 11.859 ( 0.000 0.000 1.819) 1.819 12.046 ( 0.000 0.000 -13.820) 13.820 12.046 ( 0.000 0.000 13.820) 13.820 12.319 ( 0.000 0.000 -2.494) 2.494 12.319 ( 0.000 0.000 2.494) 2.494 12.653 ( 0.000 0.000 -4.147) 4.147 12.653 ( 0.000 0.000 4.147) 4.147 12.663 ( 0.000 0.000 -4.234) 4.234 12.663 ( 0.000 0.000 4.234) 4.234 12.760 ( 0.000 0.000 -4.066) 4.066 12.760 ( 0.000 0.000 4.066) 4.066 12.891 ( 0.000 0.000 -7.595) 7.595 12.891 ( 0.000 0.000 7.595) 7.595 12.953 ( 0.000 0.000 -8.535) 8.535 12.953 ( 0.000 0.000 8.535) 8.535 13.251 ( 0.000 0.000 -8.187) 8.187 13.251 ( 0.000 0.000 8.187) 8.187 13.459 ( 0.000 0.000 -0.053) 0.053 13.459 ( 0.000 0.000 0.053) 0.053 13.691 ( 0.000 0.000 -4.919) 4.919 13.691 ( 0.000 0.000 4.919) 4.919 13.699 ( 0.000 0.000 -4.226) 4.226 13.699 ( 0.000 0.000 4.226) 4.226 13.795 ( 0.000 0.000 -0.571) 0.571 13.795 ( 0.000 0.000 0.571) 0.571 13.836 ( 0.000 0.000 -6.953) 6.953 13.836 ( 0.000 0.000 6.953) 6.953 14.114 ( 0.000 0.000 -9.504) 9.504 14.114 ( 0.000 0.000 9.504) 9.504 14.507 ( 0.000 0.000 -7.245) 7.245 14.507 ( 0.000 0.000 7.245) 7.245 14.778 ( 0.000 0.000 -7.705) 7.705 14.778 ( 0.000 0.000 7.705) 7.705 14.813 ( 0.000 0.000 -9.151) 9.151 14.813 ( 0.000 0.000 9.151) 9.151 14.948 ( 0.000 0.000 -1.622) 1.622 14.948 ( 0.000 0.000 1.622) 1.622 14.990 ( 0.000 0.000 -5.627) 5.627 14.990 ( 0.000 0.000 5.627) 5.627 15.354 ( 0.000 0.000 -1.140) 1.140 15.354 ( 0.000 0.000 1.140) 1.140 15.847 ( 0.000 0.000 -1.779) 1.779 15.847 ( 0.000 0.000 1.779) 1.779 15.862 ( 0.000 0.000 -4.373) 4.373 15.862 ( 0.000 0.000 4.373) 4.373 16.029 ( 0.000 0.000 -4.128) 4.128 16.029 ( 0.000 0.000 4.128) 4.128 16.350 ( 0.000 0.000 -10.058) 10.058 16.350 ( 0.000 0.000 10.058) 10.058 16.730 ( 0.000 0.000 -10.385) 10.385 16.730 ( 0.000 0.000 10.385) 10.385 16.959 ( 0.000 0.000 -5.476) 5.476 16.959 ( 0.000 0.000 5.476) 5.476 17.053 ( 0.000 0.000 -0.363) 0.363 17.053 ( 0.000 0.000 0.363) 0.363 17.153 ( 0.000 0.000 -4.338) 4.338 17.153 ( 0.000 0.000 4.338) 4.338 17.178 ( 0.000 0.000 -1.433) 1.433 17.178 ( 0.000 0.000 1.433) 1.433 17.605 ( 0.000 0.000 -2.745) 2.745 17.605 ( 0.000 0.000 2.745) 2.745 17.631 ( 0.000 0.000 -2.238) 2.238 17.631 ( 0.000 0.000 2.238) 2.238 17.645 ( 0.000 0.000 -5.412) 5.412 17.645 ( 0.000 0.000 5.412) 5.412 18.161 ( 0.000 0.000 -2.388) 2.388 18.161 ( 0.000 0.000 2.388) 2.388 18.307 ( 0.000 0.000 -0.638) 0.638 18.307 ( 0.000 0.000 0.638) 0.638 18.317 ( 0.000 0.000 -9.527) 9.527 18.317 ( 0.000 0.000 9.527) 9.527 19.911 ( 0.000 0.000 -1.643) 1.643 19.911 ( 0.000 0.000 1.643) 1.643 20.431 ( 0.000 0.000 -10.716) 10.716 20.431 ( 0.000 0.000 10.716) 10.716 21.495 ( 0.000 0.000 -30.025) 30.025 21.495 ( 0.000 0.000 30.025) 30.025 23.752 ( 0.000 0.000 -1.174) 1.174 23.752 ( 0.000 0.000 1.174) 1.174 23.910 ( 0.000 0.000 -0.053) 0.053 23.910 ( 0.000 0.000 0.053) 0.053 24.680 ( 0.000 0.000 -2.123) 2.123 24.680 ( 0.000 0.000 2.123) 2.123 24.776 ( 0.000 0.000 -1.961) 1.961 24.776 ( 0.000 0.000 1.961) 1.961 24.786 ( 0.000 0.000 -5.322) 5.322 24.786 ( 0.000 0.000 5.322) 5.322 24.974 ( 0.000 0.000 -0.672) 0.672 24.974 ( 0.000 0.000 0.672) 0.672 25.541 ( 0.000 0.000 -3.305) 3.305 25.541 ( 0.000 0.000 3.305) 3.305 26.354 ( 0.000 0.000 -1.493) 1.493 26.354 ( 0.000 0.000 1.493) 1.493 26.534 ( 0.000 0.000 -3.304) 3.304 26.534 ( 0.000 0.000 3.304) 3.304 27.334 ( 0.000 0.000 -1.347) 1.347 27.334 ( 0.000 0.000 1.347) 1.347 29.344 ( 0.000 0.000 -3.150) 3.150 29.344 ( 0.000 0.000 3.150) 3.150 29.904 ( 0.000 0.000 -4.255) 4.255 29.904 ( 0.000 0.000 4.255) 4.255 30.016 ( 0.000 0.000 -4.460) 4.460 30.016 ( 0.000 0.000 4.460) 4.460 30.073 ( 0.000 0.000 -3.815) 3.815 30.073 ( 0.000 0.000 3.815) 3.815 35.439 ( 0.000 0.000 -3.276) 3.276 35.439 ( 0.000 0.000 3.276) 3.276 35.506 ( 0.000 0.000 -0.305) 0.305 35.506 ( 0.000 0.000 0.305) 0.305 97.687 ( 0.000 0.000 -4.466) 4.466 97.687 ( 0.000 0.000 4.466) 4.466 97.782 ( 0.000 0.000 -1.239) 1.239 97.782 ( 0.000 0.000 1.239) 1.239 100.147 ( 0.000 0.000 -4.918) 4.918 100.147 ( 0.000 0.000 4.918) 4.918 100.520 ( 0.000 0.000 -2.617) 2.617 100.520 ( 0.000 0.000 2.617) 2.617 ======================= Grid point 167 (56/72) ======================= q-point: ( 0.10 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.991 ( 11.650 0.000 -8.570) 14.462 2.991 ( 11.650 0.000 8.570) 14.462 3.075 ( 14.309 0.000 -7.000) 15.930 3.075 ( 14.309 0.000 7.000) 15.930 4.387 ( 6.356 0.000 -16.202) 17.404 4.387 ( 6.356 0.000 16.202) 17.404 4.492 ( 11.703 0.000 -22.022) 24.938 4.492 ( 11.703 0.000 22.022) 24.938 4.605 ( 7.441 0.000 -17.911) 19.396 4.605 ( 7.441 0.000 17.911) 19.396 5.051 ( 20.725 0.000 -0.163) 20.726 5.051 ( 20.725 0.000 0.163) 20.726 5.395 ( 12.625 0.000 -24.020) 27.135 5.395 ( 12.625 0.000 24.020) 27.135 6.019 ( 7.621 0.000 -7.295) 10.550 6.019 ( 7.621 0.000 7.295) 10.550 6.354 ( -1.120 0.000 -0.001) 1.120 6.354 ( -1.120 0.000 0.001) 1.120 6.635 ( 0.852 0.000 -9.098) 9.138 6.635 ( 0.852 0.000 9.098) 9.138 6.855 ( -5.150 0.000 -6.454) 8.256 6.855 ( -5.150 0.000 6.454) 8.256 6.866 ( 0.339 0.000 -0.230) 0.410 6.866 ( 0.339 0.000 0.230) 0.410 7.029 ( -2.150 0.000 -5.631) 6.028 7.029 ( -2.150 0.000 5.631) 6.028 7.214 ( 2.685 0.000 -1.130) 2.913 7.214 ( 2.685 0.000 1.130) 2.913 7.387 ( 1.027 0.000 -6.853) 6.930 7.387 ( 1.027 0.000 6.853) 6.930 7.448 ( -7.059 0.000 -15.135) 16.701 7.448 ( -7.059 0.000 15.135) 16.701 7.656 ( 2.647 0.000 -1.335) 2.964 7.656 ( 2.647 0.000 1.335) 2.964 7.735 ( -5.557 0.000 -8.590) 10.230 7.735 ( -5.557 0.000 8.590) 10.230 7.842 ( 8.019 0.000 -0.170) 8.021 7.842 ( 8.019 0.000 0.170) 8.021 7.969 ( -6.170 0.000 -14.165) 15.450 7.969 ( -6.170 0.000 14.165) 15.450 8.059 ( -3.631 0.000 -14.727) 15.168 8.059 ( -3.631 0.000 14.727) 15.168 8.142 ( 6.431 0.000 -4.017) 7.582 8.142 ( 6.431 0.000 4.017) 7.582 8.263 ( -21.374 0.000 -6.685) 22.395 8.263 ( -21.374 0.000 6.685) 22.395 8.445 ( -13.224 0.000 -3.471) 13.672 8.445 ( -13.224 0.000 3.471) 13.672 8.728 ( 4.454 0.000 -7.365) 8.607 8.728 ( 4.454 0.000 7.365) 8.607 8.963 ( 0.842 0.000 -1.313) 1.560 8.963 ( 0.842 0.000 1.313) 1.560 9.097 ( -2.675 0.000 -8.403) 8.818 9.097 ( -2.675 0.000 8.403) 8.818 9.152 ( -0.510 0.000 -10.364) 10.376 9.152 ( -0.510 0.000 10.364) 10.376 9.272 ( 12.120 0.000 -0.835) 12.149 9.272 ( 12.120 0.000 0.835) 12.149 9.452 ( -9.098 0.000 -4.833) 10.302 9.452 ( -9.098 0.000 4.833) 10.302 9.512 ( 6.668 0.000 -6.219) 9.118 9.512 ( 6.668 0.000 6.219) 9.118 9.725 ( 3.372 0.000 -1.586) 3.726 9.725 ( 3.372 0.000 1.586) 3.726 10.015 ( -2.745 0.000 -0.752) 2.846 10.015 ( -2.745 0.000 0.752) 2.846 10.104 ( -4.924 0.000 -0.521) 4.951 10.104 ( -4.924 0.000 0.521) 4.951 10.190 ( 2.515 0.000 -1.248) 2.808 10.190 ( 2.515 0.000 1.248) 2.808 10.380 ( -17.805 0.000 -3.182) 18.087 10.380 ( -17.805 0.000 3.182) 18.087 10.465 ( -6.698 0.000 -3.105) 7.382 10.465 ( -6.698 0.000 3.105) 7.382 10.659 ( 0.304 0.000 -2.547) 2.565 10.659 ( 0.304 0.000 2.547) 2.565 10.770 ( -6.707 0.000 -0.189) 6.710 10.770 ( -6.707 0.000 0.189) 6.710 10.785 ( 5.825 0.000 -5.126) 7.759 10.785 ( 5.825 0.000 5.126) 7.759 10.925 ( -5.669 0.000 -0.697) 5.712 10.925 ( -5.669 0.000 0.697) 5.712 11.021 ( -9.557 0.000 -1.805) 9.726 11.021 ( -9.557 0.000 1.805) 9.726 11.150 ( 0.236 0.000 -1.615) 1.632 11.150 ( 0.236 0.000 1.615) 1.632 11.242 ( 1.846 0.000 -7.871) 8.085 11.242 ( 1.846 0.000 7.871) 8.085 11.567 ( 5.342 0.000 -5.785) 7.874 11.567 ( 5.342 0.000 5.785) 7.874 11.851 ( 8.718 0.000 -4.613) 9.863 11.851 ( 8.718 0.000 4.613) 9.863 12.032 ( 15.228 0.000 -0.209) 15.229 12.032 ( 15.228 0.000 0.209) 15.229 12.061 ( 3.740 0.000 -12.105) 12.670 12.061 ( 3.740 0.000 12.105) 12.670 12.258 ( -9.637 0.000 -0.936) 9.682 12.258 ( -9.637 0.000 0.936) 9.682 12.447 ( -4.496 0.000 -0.291) 4.506 12.447 ( -4.496 0.000 0.291) 4.506 12.649 ( -2.977 0.000 -0.412) 3.006 12.649 ( -2.977 0.000 0.412) 3.006 12.821 ( 4.622 0.000 -2.495) 5.253 12.821 ( 4.622 0.000 2.495) 5.253 12.880 ( -1.330 0.000 -6.622) 6.755 12.880 ( -1.330 0.000 6.622) 6.755 13.043 ( 4.807 0.000 -3.973) 6.236 13.043 ( 4.807 0.000 3.973) 6.236 13.221 ( -3.525 0.000 -4.385) 5.626 13.221 ( -3.525 0.000 4.385) 5.626 13.473 ( 1.529 0.000 -3.914) 4.202 13.473 ( 1.529 0.000 3.914) 4.202 13.609 ( -4.442 0.000 -3.551) 5.687 13.609 ( -4.442 0.000 3.551) 5.687 13.700 ( -4.014 0.000 -0.505) 4.046 13.700 ( -4.014 0.000 0.505) 4.046 13.831 ( 2.933 0.000 -1.452) 3.273 13.831 ( 2.933 0.000 1.452) 3.273 13.875 ( 4.191 0.000 -6.517) 7.749 13.875 ( 4.191 0.000 6.517) 7.749 14.101 ( 0.726 0.000 -5.825) 5.871 14.101 ( 0.726 0.000 5.825) 5.871 14.530 ( -3.150 0.000 -2.912) 4.290 14.530 ( -3.150 0.000 2.912) 4.290 14.562 ( -11.596 0.000 -2.283) 11.818 14.562 ( -11.596 0.000 2.283) 11.818 14.869 ( 3.195 0.000 -4.166) 5.250 14.869 ( 3.195 0.000 4.166) 5.250 14.942 ( -5.099 0.000 -2.170) 5.542 14.942 ( -5.099 0.000 2.170) 5.542 15.046 ( 1.039 0.000 -4.273) 4.397 15.046 ( 1.039 0.000 4.273) 4.397 15.447 ( 13.430 0.000 -3.400) 13.854 15.447 ( 13.430 0.000 3.400) 13.854 15.839 ( -2.266 0.000 -0.819) 2.410 15.839 ( -2.266 0.000 0.819) 2.410 15.880 ( 2.665 0.000 -0.330) 2.685 15.880 ( 2.665 0.000 0.330) 2.685 15.976 ( -3.379 0.000 -2.889) 4.446 15.976 ( -3.379 0.000 2.889) 4.446 16.348 ( -0.195 0.000 -8.460) 8.462 16.348 ( -0.195 0.000 8.460) 8.462 16.633 ( -7.631 0.000 -6.173) 9.815 16.633 ( -7.631 0.000 6.173) 9.815 16.908 ( -4.447 0.000 -1.798) 4.796 16.908 ( -4.447 0.000 1.798) 4.796 16.975 ( 1.527 0.000 -2.331) 2.787 16.975 ( 1.527 0.000 2.331) 2.787 17.145 ( -1.627 0.000 -0.006) 1.627 17.145 ( -1.627 0.000 0.006) 1.627 17.397 ( 11.373 0.000 -0.546) 11.386 17.397 ( 11.373 0.000 0.546) 11.386 17.541 ( -3.208 0.000 -1.196) 3.424 17.541 ( -3.208 0.000 1.196) 3.424 17.612 ( 0.776 0.000 -2.141) 2.277 17.612 ( 0.776 0.000 2.141) 2.277 17.806 ( 9.552 0.000 -0.127) 9.552 17.806 ( 9.552 0.000 0.127) 9.552 18.116 ( -4.917 0.000 -2.602) 5.563 18.116 ( -4.917 0.000 2.602) 5.563 18.175 ( -2.035 0.000 -9.268) 9.489 18.175 ( -2.035 0.000 9.268) 9.489 18.641 ( 20.423 0.000 -1.264) 20.462 18.641 ( 20.423 0.000 1.264) 20.462 19.907 ( -0.360 0.000 -1.672) 1.710 19.907 ( -0.360 0.000 1.672) 1.710 20.386 ( -4.320 0.000 -9.439) 10.381 20.386 ( -4.320 0.000 9.439) 10.381 21.257 ( -20.433 0.000 -22.463) 30.366 21.257 ( -20.433 0.000 22.463) 30.366 23.689 ( -5.363 0.000 -0.546) 5.390 23.689 ( -5.363 0.000 0.546) 5.390 23.890 ( -2.850 0.000 -0.107) 2.852 23.890 ( -2.850 0.000 0.107) 2.852 24.722 ( 1.776 0.000 -3.248) 3.702 24.722 ( 1.776 0.000 3.248) 3.702 24.780 ( -0.542 0.000 -5.022) 5.051 24.780 ( -0.542 0.000 5.022) 5.051 24.895 ( 7.526 0.000 -1.216) 7.624 24.895 ( 7.526 0.000 1.216) 7.624 25.100 ( 15.786 0.000 -2.030) 15.916 25.100 ( 15.786 0.000 2.030) 15.916 25.549 ( 0.753 0.000 -3.145) 3.234 25.549 ( 0.753 0.000 3.145) 3.234 26.303 ( -4.243 0.000 -0.023) 4.243 26.303 ( -4.243 0.000 0.023) 4.243 26.572 ( 2.920 0.000 -0.369) 2.943 26.572 ( 2.920 0.000 0.369) 2.943 27.256 ( -7.647 0.000 -0.168) 7.649 27.256 ( -7.647 0.000 0.168) 7.649 29.340 ( -0.315 0.000 -3.103) 3.119 29.340 ( -0.315 0.000 3.103) 3.119 29.790 ( -8.448 0.000 -0.142) 8.449 29.790 ( -8.448 0.000 0.142) 8.449 30.114 ( 7.274 0.000 -4.325) 8.463 30.114 ( 7.274 0.000 4.325) 8.463 30.152 ( 7.681 0.000 -7.418) 10.678 30.152 ( 7.681 0.000 7.418) 10.678 35.424 ( -1.566 0.000 -3.169) 3.535 35.424 ( -1.566 0.000 3.169) 3.535 35.483 ( -2.294 0.000 -0.066) 2.295 35.483 ( -2.294 0.000 0.066) 2.295 97.679 ( -0.780 0.000 -4.250) 4.321 97.679 ( -0.780 0.000 4.250) 4.321 97.756 ( -2.309 0.000 -2.041) 3.082 97.756 ( -2.309 0.000 2.041) 3.082 100.154 ( 0.647 0.000 -4.937) 4.979 100.154 ( 0.647 0.000 4.937) 4.979 100.498 ( -2.207 0.000 -1.744) 2.813 100.498 ( -2.207 0.000 1.744) 2.813 ======================= Grid point 169 (57/72) ======================= q-point: ( 0.20 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.354 ( 25.237 0.000 -2.880) 25.400 3.354 ( 25.237 0.000 2.880) 25.400 3.481 ( 26.137 0.000 -3.695) 26.397 3.481 ( 26.137 0.000 3.695) 26.397 4.549 ( 11.198 0.000 -6.187) 12.794 4.549 ( 11.198 0.000 6.187) 12.794 4.708 ( 11.180 0.000 -14.620) 18.405 4.708 ( 11.180 0.000 14.620) 18.405 4.932 ( 22.030 0.000 -10.746) 24.511 4.932 ( 22.030 0.000 10.746) 24.511 5.409 ( 14.574 0.000 -18.112) 23.247 5.409 ( 14.574 0.000 18.112) 23.247 5.827 ( 27.765 0.000 -40.266) 48.910 5.827 ( 27.765 0.000 40.266) 48.910 6.191 ( 7.613 0.000 -2.746) 8.093 6.191 ( 7.613 0.000 2.746) 8.093 6.327 ( -0.716 0.000 -2.214) 2.327 6.327 ( -0.716 0.000 2.214) 2.327 6.569 ( -7.680 0.000 -1.370) 7.801 6.569 ( -7.680 0.000 1.370) 7.801 6.741 ( -4.804 0.000 -2.852) 5.587 6.741 ( -4.804 0.000 2.852) 5.587 6.862 ( -9.823 0.000 -3.011) 10.274 6.862 ( -9.823 0.000 3.011) 10.274 6.940 ( 1.189 0.000 -6.472) 6.581 6.940 ( 1.189 0.000 6.472) 6.581 7.253 ( -5.278 0.000 -8.160) 9.718 7.253 ( -5.278 0.000 8.160) 9.718 7.290 ( 1.058 0.000 -0.111) 1.064 7.290 ( 1.058 0.000 0.111) 1.064 7.409 ( -1.860 0.000 -2.082) 2.792 7.409 ( -1.860 0.000 2.082) 2.792 7.535 ( -8.539 0.000 -11.130) 14.028 7.535 ( -8.539 0.000 11.130) 14.028 7.709 ( -18.692 0.000 -0.170) 18.693 7.709 ( -18.692 0.000 0.170) 18.693 7.855 ( 0.288 0.000 -7.815) 7.820 7.855 ( 0.288 0.000 7.815) 7.820 7.876 ( 1.775 0.000 -4.402) 4.746 7.876 ( 1.775 0.000 4.402) 4.746 8.014 ( 1.895 0.000 -13.648) 13.779 8.014 ( 1.895 0.000 13.648) 13.779 8.104 ( -0.336 0.000 -13.890) 13.894 8.104 ( -0.336 0.000 13.890) 13.894 8.135 ( -2.568 0.000 -0.423) 2.602 8.135 ( -2.567 0.000 0.423) 2.602 8.387 ( 9.062 0.000 -3.646) 9.768 8.387 ( 9.062 0.000 3.646) 9.768 8.729 ( -6.424 0.000 -9.934) 11.830 8.729 ( -6.424 0.000 9.934) 11.830 8.852 ( -4.895 0.000 -0.996) 4.995 8.852 ( -4.895 0.000 0.996) 4.995 8.976 ( -8.585 0.000 -9.338) 12.685 8.976 ( -8.585 0.000 9.338) 12.685 9.239 ( 3.579 0.000 -4.528) 5.772 9.239 ( 3.579 0.000 4.528) 5.772 9.283 ( -4.839 0.000 -7.342) 8.794 9.283 ( -4.839 0.000 7.342) 8.794 9.441 ( 2.173 0.000 -5.052) 5.499 9.441 ( 2.173 0.000 5.052) 5.499 9.644 ( 4.479 0.000 -3.950) 5.971 9.644 ( 4.479 0.000 3.950) 5.971 9.756 ( -1.680 0.000 -9.386) 9.535 9.756 ( -1.680 0.000 9.386) 9.535 9.876 ( -8.594 0.000 -3.275) 9.197 9.876 ( -8.594 0.000 3.275) 9.197 9.961 ( -6.479 0.000 -3.955) 7.590 9.961 ( -6.479 0.000 3.955) 7.590 10.080 ( -9.109 0.000 -6.042) 10.931 10.080 ( -9.109 0.000 6.042) 10.931 10.224 ( 1.416 0.000 -0.027) 1.416 10.224 ( 1.416 0.000 0.027) 1.416 10.443 ( -3.502 0.000 -4.255) 5.510 10.443 ( -3.502 0.000 4.255) 5.510 10.510 ( -7.977 0.000 -1.703) 8.157 10.510 ( -7.977 0.000 1.703) 8.157 10.691 ( -1.719 0.000 -0.897) 1.939 10.691 ( -1.719 0.000 0.897) 1.939 10.824 ( -4.940 0.000 -1.759) 5.244 10.824 ( -4.940 0.000 1.759) 5.244 10.900 ( -3.238 0.000 -1.150) 3.436 10.900 ( -3.238 0.000 1.150) 3.436 10.942 ( 5.673 0.000 -8.449) 10.177 10.942 ( 5.673 0.000 8.449) 10.177 11.138 ( 0.720 0.000 -3.648) 3.719 11.138 ( 0.720 0.000 3.648) 3.719 11.302 ( 3.972 0.000 -4.598) 6.076 11.302 ( 3.972 0.000 4.598) 6.076 11.625 ( 0.370 0.000 -4.082) 4.099 11.625 ( 0.370 0.000 4.082) 4.099 11.978 ( -1.159 0.000 -0.311) 1.200 11.978 ( -1.159 0.000 0.311) 1.200 11.994 ( -0.450 0.000 -3.951) 3.976 11.994 ( -0.450 0.000 3.951) 3.976 12.140 ( -0.365 0.000 -5.487) 5.500 12.140 ( -0.365 0.000 5.487) 5.500 12.223 ( 1.992 0.000 -2.939) 3.551 12.223 ( 1.992 0.000 2.939) 3.551 12.475 ( 3.896 0.000 -2.394) 4.573 12.475 ( 3.896 0.000 2.394) 4.573 12.640 ( -0.956 0.000 -0.394) 1.034 12.640 ( -0.956 0.000 0.394) 1.034 12.838 ( -3.969 0.000 -1.384) 4.203 12.838 ( -3.969 0.000 1.384) 4.203 12.892 ( 2.064 0.000 -4.931) 5.346 12.892 ( 2.064 0.000 4.931) 5.346 13.110 ( -1.880 0.000 -0.051) 1.880 13.110 ( -1.880 0.000 0.051) 1.880 13.145 ( 2.495 0.000 -0.385) 2.524 13.145 ( 2.495 0.000 0.385) 2.524 13.477 ( -5.283 0.000 -1.060) 5.388 13.477 ( -5.283 0.000 1.060) 5.388 13.515 ( -4.060 0.000 -1.863) 4.467 13.515 ( -4.060 0.000 1.863) 4.467 13.630 ( 1.588 0.000 -6.267) 6.465 13.630 ( 1.588 0.000 6.267) 6.465 13.861 ( -0.019 0.000 -0.156) 0.157 13.861 ( -0.019 0.000 0.156) 0.157 13.995 ( 6.190 0.000 -1.783) 6.442 13.995 ( 6.190 0.000 1.783) 6.442 14.126 ( -5.339 0.000 -1.943) 5.682 14.126 ( -5.339 0.000 1.943) 5.682 14.274 ( -4.502 0.000 -3.857) 5.928 14.274 ( -4.502 0.000 3.857) 5.928 14.488 ( -6.402 0.000 -1.217) 6.516 14.488 ( -6.402 0.000 1.217) 6.516 14.787 ( -7.805 0.000 -3.647) 8.615 14.787 ( -7.805 0.000 3.647) 8.615 14.884 ( -2.469 0.000 -4.829) 5.424 14.884 ( -2.469 0.000 4.829) 5.424 15.087 ( 6.019 0.000 -0.038) 6.019 15.087 ( 6.019 0.000 0.038) 6.019 15.709 ( 4.187 0.000 -9.189) 10.098 15.709 ( 4.187 0.000 9.189) 10.098 15.776 ( -2.874 0.000 -2.804) 4.015 15.776 ( -2.874 0.000 2.804) 4.015 15.963 ( 7.897 0.000 -0.088) 7.897 15.963 ( 7.897 0.000 0.088) 7.897 15.993 ( 5.293 0.000 -2.412) 5.817 15.993 ( 5.293 0.000 2.412) 5.817 16.353 ( 1.616 0.000 -3.485) 3.842 16.353 ( 1.616 0.000 3.485) 3.842 16.549 ( 0.680 0.000 -6.220) 6.257 16.549 ( 0.680 0.000 6.220) 6.257 16.850 ( -1.952 0.000 -0.494) 2.014 16.850 ( -1.952 0.000 0.494) 2.014 16.997 ( -2.028 0.000 -0.102) 2.030 16.997 ( -2.028 0.000 0.102) 2.030 17.131 ( 2.001 0.000 -0.277) 2.020 17.131 ( 2.001 0.000 0.277) 2.020 17.472 ( -1.996 0.000 -0.585) 2.080 17.472 ( -1.996 0.000 0.585) 2.080 17.571 ( 4.521 0.000 -0.137) 4.524 17.571 ( 4.521 0.000 0.137) 4.524 17.639 ( 2.066 0.000 -2.099) 2.945 17.639 ( 2.066 0.000 2.099) 2.945 17.980 ( 6.548 0.000 -0.241) 6.552 17.980 ( 6.548 0.000 0.241) 6.552 18.039 ( -2.496 0.000 -0.809) 2.624 18.039 ( -2.496 0.000 0.809) 2.624 18.153 ( 0.349 0.000 -7.760) 7.768 18.153 ( 0.349 0.000 7.760) 7.768 19.037 ( 17.588 0.000 -0.024) 17.588 19.037 ( 17.588 0.000 0.024) 17.588 19.898 ( -0.587 0.000 -1.785) 1.880 19.898 ( -0.587 0.000 1.785) 1.880 20.290 ( -4.251 0.000 -5.184) 6.704 20.290 ( -4.251 0.000 5.184) 6.704 20.846 ( -19.317 0.000 -13.727) 23.698 20.846 ( -19.317 0.000 13.727) 23.698 23.583 ( -4.786 0.000 -0.428) 4.805 23.583 ( -4.786 0.000 0.428) 4.805 23.797 ( -6.222 0.000 -0.059) 6.222 23.797 ( -6.222 0.000 0.059) 6.222 24.748 ( 0.331 0.000 -3.913) 3.927 24.748 ( 0.331 0.000 3.913) 3.927 24.776 ( 0.903 0.000 -3.638) 3.748 24.776 ( 0.903 0.000 3.638) 3.748 24.983 ( 2.681 0.000 -1.145) 2.916 24.983 ( 2.681 0.000 1.145) 2.916 25.479 ( 17.265 0.000 -5.647) 18.165 25.479 ( 17.265 0.000 5.647) 18.165 25.574 ( 2.469 0.000 -1.580) 2.931 25.574 ( 2.469 0.000 1.580) 2.931 26.222 ( -3.314 0.000 -0.011) 3.314 26.222 ( -3.314 0.000 0.011) 3.314 26.630 ( 2.984 0.000 -0.222) 2.992 26.630 ( 2.984 0.000 0.222) 2.992 27.061 ( -11.505 0.000 -3.450) 12.011 27.061 ( -11.505 0.000 3.450) 12.011 29.334 ( -0.220 0.000 -2.773) 2.782 29.334 ( -0.220 0.000 2.773) 2.782 29.621 ( -8.205 0.000 -1.999) 8.445 29.621 ( -8.205 0.000 1.999) 8.445 30.283 ( 9.515 0.000 -3.961) 10.307 30.283 ( 9.515 0.000 3.961) 10.307 30.335 ( 10.259 0.000 -9.222) 13.795 30.335 ( 10.259 0.000 9.222) 13.795 35.382 ( -2.580 0.000 -2.773) 3.787 35.382 ( -2.580 0.000 2.773) 3.787 35.424 ( -3.456 0.000 -0.231) 3.463 35.424 ( -3.456 0.000 0.231) 3.463 97.660 ( -1.148 0.000 -3.611) 3.789 97.660 ( -1.148 0.000 3.611) 3.789 97.707 ( -2.383 0.000 -2.911) 3.762 97.707 ( -2.383 0.000 2.911) 3.762 100.167 ( 0.593 0.000 -4.547) 4.585 100.167 ( 0.593 0.000 4.547) 4.585 100.440 ( -3.580 0.000 -0.145) 3.582 100.440 ( -3.580 0.000 0.145) 3.582 ======================= Grid point 171 (58/72) ======================= q-point: ( 0.30 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.932 ( 32.305 0.000 -14.892) 35.573 3.932 ( 32.305 0.000 14.892) 35.573 4.061 ( 32.202 0.000 -4.609) 32.530 4.061 ( 32.202 0.000 4.609) 32.530 4.819 ( 15.148 0.000 -1.703) 15.244 4.819 ( 15.148 0.000 1.703) 15.244 4.936 ( 12.316 0.000 -9.970) 15.846 4.936 ( 12.316 0.000 9.970) 15.846 5.378 ( 21.622 0.000 -6.770) 22.657 5.378 ( 21.622 0.000 6.770) 22.657 5.654 ( 10.483 0.000 -11.242) 15.371 5.654 ( 10.483 0.000 11.242) 15.371 6.083 ( -1.375 0.000 -2.181) 2.578 6.083 ( -1.375 0.000 2.181) 2.578 6.202 ( -7.171 0.000 -1.948) 7.431 6.202 ( -7.171 0.000 1.948) 7.431 6.258 ( -12.158 0.000 -5.150) 13.204 6.258 ( -12.158 0.000 5.150) 13.204 6.534 ( -10.803 0.000 -6.745) 12.736 6.534 ( -10.803 0.000 6.745) 12.736 6.634 ( 14.285 0.000 -16.038) 21.477 6.634 ( 14.285 0.000 16.038) 21.477 6.805 ( 0.097 0.000 -0.805) 0.811 6.805 ( 0.097 0.000 0.805) 0.811 6.968 ( 0.483 0.000 -6.456) 6.475 6.968 ( 0.483 0.000 6.456) 6.475 7.128 ( -11.114 0.000 -15.633) 19.181 7.128 ( -11.114 0.000 15.633) 19.181 7.253 ( -7.110 0.000 -7.624) 10.425 7.253 ( -7.110 0.000 7.624) 10.425 7.301 ( -3.074 0.000 -1.656) 3.492 7.301 ( -3.074 0.000 1.656) 3.492 7.408 ( -4.597 0.000 -3.914) 6.038 7.408 ( -4.597 0.000 3.914) 6.038 7.449 ( -0.376 0.000 -6.868) 6.878 7.449 ( -0.376 0.000 6.868) 6.878 7.741 ( -11.405 0.000 -5.824) 12.805 7.741 ( -11.405 0.000 5.824) 12.805 7.846 ( -5.009 0.000 -0.869) 5.084 7.846 ( -5.009 0.000 0.869) 5.084 8.006 ( 7.118 0.000 -12.281) 14.195 8.006 ( 7.118 0.000 12.281) 14.195 8.184 ( 7.294 0.000 -13.919) 15.714 8.184 ( 7.294 0.000 13.919) 15.714 8.356 ( 7.294 0.000 -7.038) 10.136 8.356 ( 7.294 0.000 7.038) 10.136 8.474 ( -10.398 0.000 -7.980) 13.107 8.474 ( -10.398 0.000 7.980) 13.107 8.557 ( 8.741 0.000 -8.592) 12.257 8.557 ( 8.741 0.000 8.592) 12.257 8.819 ( -3.077 0.000 -8.741) 9.267 8.819 ( -3.077 0.000 8.741) 9.267 8.942 ( 7.744 0.000 -12.470) 14.679 8.942 ( 7.744 0.000 12.470) 14.679 9.092 ( -11.446 0.000 -6.853) 13.341 9.092 ( -11.446 0.000 6.853) 13.341 9.271 ( -2.440 0.000 -2.897) 3.787 9.271 ( -2.440 0.000 2.897) 3.788 9.404 ( -8.550 0.000 -4.458) 9.642 9.404 ( -8.550 0.000 4.458) 9.642 9.619 ( 0.202 0.000 -2.325) 2.333 9.619 ( 0.202 0.000 2.325) 2.333 9.717 ( 0.268 0.000 -2.125) 2.142 9.717 ( 0.268 0.000 2.125) 2.142 9.774 ( -5.251 0.000 -1.965) 5.607 9.774 ( -5.251 0.000 1.965) 5.607 9.910 ( -4.141 0.000 -2.138) 4.660 9.910 ( -4.141 0.000 2.138) 4.660 10.010 ( 4.584 0.000 -6.238) 7.741 10.010 ( 4.584 0.000 6.238) 7.741 10.205 ( -3.847 0.000 -0.113) 3.848 10.205 ( -3.847 0.000 0.113) 3.848 10.337 ( 0.548 0.000 -2.587) 2.644 10.337 ( 0.548 0.000 2.587) 2.644 10.476 ( -1.357 0.000 -1.506) 2.027 10.476 ( -1.357 0.000 1.506) 2.027 10.627 ( -7.858 0.000 -0.510) 7.874 10.627 ( -7.858 0.000 0.510) 7.874 10.714 ( -2.971 0.000 -0.399) 2.998 10.714 ( -2.971 0.000 0.399) 2.998 10.867 ( -1.173 0.000 -0.146) 1.182 10.867 ( -1.173 0.000 0.146) 1.182 10.955 ( -4.370 0.000 -5.176) 6.774 10.955 ( -4.370 0.000 5.176) 6.774 11.207 ( 4.903 0.000 -1.020) 5.008 11.207 ( 4.903 0.000 1.020) 5.008 11.386 ( 3.941 0.000 -2.130) 4.479 11.386 ( 3.941 0.000 2.130) 4.479 11.634 ( 1.939 0.000 -0.730) 2.071 11.634 ( 1.939 0.000 0.730) 2.071 11.894 ( -3.080 0.000 -4.194) 5.203 11.894 ( -3.080 0.000 4.194) 5.203 11.963 ( -8.679 0.000 -0.029) 8.679 11.963 ( -8.679 0.000 0.029) 8.679 12.101 ( -3.624 0.000 -3.116) 4.779 12.101 ( -3.624 0.000 3.116) 4.779 12.307 ( 6.695 0.000 -1.343) 6.828 12.307 ( 6.695 0.000 1.343) 6.828 12.512 ( -1.455 0.000 -2.728) 3.092 12.512 ( -1.455 0.000 2.728) 3.092 12.593 ( -8.243 0.000 -1.564) 8.390 12.593 ( -8.243 0.000 1.564) 8.390 12.705 ( 0.526 0.000 -0.015) 0.526 12.705 ( 0.526 0.000 0.015) 0.526 12.916 ( -0.027 0.000 -0.681) 0.681 12.916 ( -0.027 0.000 0.681) 0.681 13.037 ( -6.186 0.000 -1.881) 6.466 13.037 ( -6.186 0.000 1.881) 6.466 13.169 ( -3.734 0.000 -0.034) 3.734 13.169 ( -3.734 0.000 0.034) 3.734 13.376 ( 2.378 0.000 -10.737) 10.998 13.376 ( 2.378 0.000 10.737) 10.998 13.525 ( 1.944 0.000 -4.672) 5.060 13.525 ( 1.944 0.000 4.672) 5.060 13.707 ( 3.279 0.000 -0.736) 3.360 13.707 ( 3.279 0.000 0.736) 3.360 13.824 ( -4.104 0.000 -0.034) 4.105 13.824 ( -4.104 0.000 0.034) 4.105 13.869 ( -9.612 0.000 -0.552) 9.628 13.869 ( -9.612 0.000 0.552) 9.628 14.137 ( -0.012 0.000 -4.628) 4.628 14.137 ( -0.012 0.000 4.628) 4.628 14.252 ( 3.693 0.000 -0.489) 3.725 14.252 ( 3.693 0.000 0.489) 3.725 14.480 ( 1.638 0.000 -0.010) 1.638 14.480 ( 1.638 0.000 0.010) 1.638 14.650 ( -2.628 0.000 -1.946) 3.270 14.650 ( -2.628 0.000 1.946) 3.270 14.848 ( -2.513 0.000 -10.916) 11.201 14.848 ( -2.513 0.000 10.916) 11.201 15.209 ( 5.093 0.000 -0.002) 5.093 15.209 ( 5.093 0.000 0.002) 5.093 15.712 ( 0.896 0.000 -2.200) 2.375 15.712 ( 0.896 0.000 2.200) 2.375 15.757 ( 0.621 0.000 -2.560) 2.634 15.757 ( 0.621 0.000 2.560) 2.634 15.981 ( -1.674 0.000 -0.464) 1.737 15.981 ( -1.674 0.000 0.464) 1.737 16.130 ( 2.101 0.000 -0.535) 2.169 16.130 ( 2.101 0.000 0.535) 2.169 16.433 ( 3.863 0.000 -0.526) 3.899 16.433 ( 3.863 0.000 0.526) 3.899 16.683 ( 11.840 0.000 -1.215) 11.902 16.683 ( 11.840 0.000 1.215) 11.902 16.812 ( -1.995 0.000 -0.533) 2.065 16.812 ( -1.995 0.000 0.533) 2.065 16.911 ( -4.678 0.000 -1.994) 5.085 16.911 ( -4.678 0.000 1.994) 5.085 17.211 ( 5.056 0.000 -1.821) 5.374 17.211 ( 5.056 0.000 1.821) 5.374 17.434 ( -1.780 0.000 -0.398) 1.824 17.434 ( -1.780 0.000 0.398) 1.824 17.626 ( 1.853 0.000 -0.241) 1.869 17.626 ( 1.853 0.000 0.241) 1.869 17.682 ( 1.757 0.000 -1.189) 2.122 17.682 ( 1.757 0.000 1.189) 2.122 17.984 ( -2.283 0.000 -0.032) 2.284 17.984 ( -2.283 0.000 0.032) 2.284 18.021 ( -1.823 0.000 -1.890) 2.626 18.021 ( -1.823 0.000 1.890) 2.626 18.255 ( 8.792 0.000 -3.471) 9.452 18.255 ( 8.792 0.000 3.471) 9.452 19.247 ( 3.077 0.000 -0.957) 3.223 19.247 ( 3.077 0.000 0.957) 3.223 19.879 ( -1.295 0.000 -1.598) 2.056 19.879 ( -1.295 0.000 1.598) 2.056 20.268 ( 1.731 0.000 -1.186) 2.098 20.268 ( 1.731 0.000 1.186) 2.098 20.543 ( -10.824 0.000 -11.472) 15.772 20.543 ( -10.824 0.000 11.472) 15.772 23.512 ( -2.689 0.000 -0.888) 2.831 23.512 ( -2.689 0.000 0.888) 2.831 23.673 ( -5.770 0.000 -0.128) 5.771 23.673 ( -5.770 0.000 0.128) 5.771 24.740 ( -0.514 0.000 -3.076) 3.119 24.740 ( -0.514 0.000 3.076) 3.119 24.814 ( 2.353 0.000 -2.893) 3.729 24.814 ( 2.353 0.000 2.893) 3.729 25.013 ( 0.416 0.000 -1.291) 1.356 25.013 ( 0.416 0.000 1.291) 1.356 25.593 ( 1.822 0.000 -1.686) 2.482 25.593 ( 1.822 0.000 1.686) 2.482 25.734 ( 6.101 0.000 -2.790) 6.708 25.734 ( 6.101 0.000 2.790) 6.708 26.194 ( 0.435 0.000 -0.006) 0.435 26.194 ( 0.435 0.000 0.006) 0.435 26.691 ( 3.023 0.000 -3.570) 4.678 26.691 ( 3.023 0.000 3.570) 4.678 26.841 ( -9.916 0.000 -7.326) 12.329 26.841 ( -9.916 0.000 7.326) 12.329 29.333 ( 0.088 0.000 -2.057) 2.058 29.333 ( 0.088 0.000 2.057) 2.058 29.486 ( -5.429 0.000 -1.974) 5.777 29.486 ( -5.429 0.000 1.974) 5.777 30.464 ( 8.416 0.000 -3.693) 9.191 30.464 ( 8.416 0.000 3.693) 9.191 30.529 ( 9.040 0.000 -7.211) 11.564 30.529 ( 9.040 0.000 7.211) 11.564 35.329 ( -2.596 0.000 -2.049) 3.308 35.329 ( -2.596 0.000 2.049) 3.308 35.356 ( -3.256 0.000 -0.514) 3.296 35.356 ( -3.256 0.000 0.514) 3.296 97.638 ( -0.966 0.000 -2.623) 2.796 97.638 ( -0.966 0.000 2.623) 2.796 97.669 ( -1.515 0.000 -2.602) 3.011 97.669 ( -1.515 0.000 2.602) 3.011 100.178 ( 0.627 0.000 -3.477) 3.533 100.178 ( 0.627 0.000 3.477) 3.533 100.365 ( -3.812 0.000 -0.360) 3.829 100.365 ( -3.812 0.000 0.360) 3.829 ======================= Grid point 173 (59/72) ======================= q-point: ( 0.40 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.554 ( 29.333 0.000 -14.839) 32.872 4.554 ( 29.333 0.000 14.839) 32.872 4.683 ( 29.166 0.000 -5.965) 29.770 4.683 ( 29.166 0.000 5.965) 29.770 5.060 ( 8.638 0.000 -0.086) 8.638 5.060 ( 8.638 0.000 0.086) 8.638 5.191 ( 11.665 0.000 -1.292) 11.736 5.191 ( 11.665 0.000 1.292) 11.736 5.675 ( 7.347 0.000 -0.004) 7.347 5.675 ( 7.347 0.000 0.004) 7.347 5.789 ( 1.709 0.000 -0.008) 1.709 5.789 ( 1.709 0.000 0.008) 1.709 5.875 ( -14.817 0.000 -0.007) 14.817 5.875 ( -14.817 0.000 0.007) 14.817 6.027 ( -5.041 0.000 -0.002) 5.041 6.027 ( -5.041 0.000 0.002) 5.041 6.302 ( 16.439 0.000 -10.619) 19.570 6.302 ( 16.439 0.000 10.619) 19.570 6.331 ( -9.726 0.000 -2.815) 10.125 6.331 ( -9.726 0.000 2.815) 10.125 6.599 ( -16.394 0.000 -13.171) 21.029 6.599 ( -16.394 0.000 13.171) 21.029 6.747 ( -10.982 0.000 -2.707) 11.311 6.747 ( -10.982 0.000 2.707) 11.311 6.805 ( -8.616 0.000 -0.855) 8.658 6.805 ( -8.616 0.000 0.855) 8.658 6.919 ( -3.565 0.000 -12.785) 13.272 6.919 ( -3.565 0.000 12.785) 13.272 7.146 ( -11.371 0.000 -6.035) 12.873 7.146 ( -11.371 0.000 6.035) 12.873 7.278 ( 2.798 0.000 -1.151) 3.025 7.278 ( 2.798 0.000 1.151) 3.025 7.421 ( 3.632 0.000 -3.588) 5.105 7.421 ( 3.632 0.000 3.588) 5.105 7.441 ( -8.676 0.000 -10.789) 13.845 7.441 ( -8.676 0.000 10.789) 13.845 7.783 ( 0.045 0.000 -1.229) 1.230 7.783 ( 0.045 0.000 1.229) 1.230 7.835 ( 22.847 0.000 -15.318) 27.507 7.835 ( 22.847 0.000 15.318) 27.507 8.075 ( -12.852 0.000 -4.982) 13.784 8.075 ( -12.852 0.000 4.982) 13.784 8.191 ( 5.821 0.000 -5.119) 7.752 8.191 ( 5.821 0.000 5.119) 7.752 8.344 ( 3.187 0.000 -5.164) 6.068 8.344 ( 3.187 0.000 5.164) 6.068 8.453 ( -0.588 0.000 -1.044) 1.198 8.453 ( -0.588 0.000 1.044) 1.198 8.677 ( -6.519 0.000 -1.399) 6.668 8.677 ( -6.519 0.000 1.399) 6.668 8.884 ( 7.123 0.000 -2.073) 7.419 8.884 ( 7.123 0.000 2.073) 7.419 8.983 ( 4.311 0.000 -4.704) 6.381 8.983 ( 4.311 0.000 4.704) 6.381 9.026 ( 4.007 0.000 -10.733) 11.457 9.026 ( 4.007 0.000 10.733) 11.457 9.256 ( 0.585 0.000 -1.846) 1.937 9.256 ( 0.585 0.000 1.846) 1.937 9.307 ( -0.371 0.000 -1.300) 1.352 9.307 ( -0.371 0.000 1.300) 1.352 9.601 ( -1.614 0.000 -3.375) 3.741 9.601 ( -1.614 0.000 3.375) 3.741 9.662 ( -6.323 0.000 -2.278) 6.721 9.662 ( -6.323 0.000 2.278) 6.721 9.718 ( -0.284 0.000 -2.474) 2.491 9.718 ( -0.284 0.000 2.474) 2.491 9.844 ( -2.482 0.000 -2.264) 3.359 9.844 ( -2.482 0.000 2.264) 3.359 10.130 ( 5.202 0.000 -10.186) 11.438 10.130 ( 5.202 0.000 10.186) 11.438 10.209 ( 5.047 0.000 -6.677) 8.370 10.209 ( 5.047 0.000 6.677) 8.370 10.367 ( 0.690 0.000 -3.202) 3.276 10.367 ( 0.690 0.000 3.203) 3.276 10.436 ( -3.465 0.000 -2.028) 4.015 10.436 ( -3.465 0.000 2.028) 4.015 10.466 ( -4.781 0.000 -2.663) 5.472 10.466 ( -4.781 0.000 2.663) 5.472 10.669 ( -2.925 0.000 -3.669) 4.692 10.669 ( -2.925 0.000 3.669) 4.692 10.784 ( -8.140 0.000 -5.724) 9.951 10.784 ( -8.140 0.000 5.724) 9.951 10.862 ( -2.379 0.000 -0.268) 2.394 10.862 ( -2.379 0.000 0.268) 2.394 11.281 ( 2.217 0.000 -0.302) 2.238 11.281 ( 2.217 0.000 0.302) 2.238 11.446 ( 2.130 0.000 -2.336) 3.161 11.446 ( 2.130 0.000 2.336) 3.161 11.657 ( -7.010 0.000 -2.949) 7.605 11.657 ( -7.010 0.000 2.949) 7.605 11.738 ( -4.893 0.000 -2.276) 5.396 11.738 ( -4.893 0.000 2.276) 5.396 11.864 ( -0.478 0.000 -3.440) 3.473 11.864 ( -0.478 0.000 3.440) 3.473 11.989 ( -6.359 0.000 -3.118) 7.082 11.989 ( -6.359 0.000 3.118) 7.082 12.393 ( -4.022 0.000 -1.047) 4.156 12.393 ( -4.022 0.000 1.047) 4.156 12.430 ( 3.242 0.000 -3.294) 4.622 12.430 ( 3.242 0.000 3.294) 4.622 12.532 ( 0.838 0.000 -2.679) 2.807 12.532 ( 0.838 0.000 2.679) 2.807 12.744 ( -1.663 0.000 -2.542) 3.038 12.744 ( -1.663 0.000 2.542) 3.038 12.900 ( -5.073 0.000 -1.451) 5.276 12.900 ( -5.073 0.000 1.451) 5.276 12.955 ( 5.460 0.000 -4.373) 6.995 12.955 ( 5.460 0.000 4.373) 6.995 13.115 ( -1.943 0.000 -0.939) 2.158 13.115 ( -1.943 0.000 0.939) 2.158 13.445 ( 2.986 0.000 -8.091) 8.624 13.445 ( 2.986 0.000 8.091) 8.624 13.556 ( 0.239 0.000 -3.652) 3.660 13.556 ( 0.239 0.000 3.652) 3.660 13.646 ( -5.456 0.000 -3.061) 6.256 13.646 ( -5.456 0.000 3.061) 6.256 13.727 ( -4.186 0.000 -1.000) 4.304 13.727 ( -4.186 0.000 1.000) 4.304 13.835 ( 1.480 0.000 -3.499) 3.799 13.835 ( 1.480 0.000 3.499) 3.799 14.125 ( 1.616 0.000 -2.562) 3.029 14.125 ( 1.616 0.000 2.562) 3.029 14.382 ( -3.636 0.000 -1.393) 3.893 14.382 ( -3.636 0.000 1.393) 3.893 14.422 ( 6.552 0.000 -4.157) 7.760 14.422 ( 6.552 0.000 4.157) 7.760 14.712 ( 0.810 0.000 -2.437) 2.568 14.712 ( 0.810 0.000 2.437) 2.568 14.778 ( -1.380 0.000 -8.477) 8.588 14.778 ( -1.380 0.000 8.477) 8.588 15.273 ( 1.808 0.000 -0.118) 1.812 15.273 ( 1.808 0.000 0.118) 1.812 15.755 ( 1.704 0.000 -5.529) 5.786 15.755 ( 1.704 0.000 5.529) 5.786 15.792 ( 2.439 0.000 -1.849) 3.061 15.792 ( 2.439 0.000 1.849) 3.061 15.957 ( 0.881 0.000 -3.334) 3.448 15.957 ( 0.881 0.000 3.334) 3.448 16.125 ( -2.330 0.000 -1.553) 2.800 16.125 ( -2.330 0.000 1.553) 2.800 16.456 ( 0.240 0.000 -1.902) 1.918 16.456 ( 0.240 0.000 1.902) 1.918 16.713 ( -5.381 0.000 -4.740) 7.171 16.713 ( -5.381 0.000 4.740) 7.171 16.858 ( -0.780 0.000 -1.188) 1.421 16.858 ( -0.780 0.000 1.188) 1.421 16.945 ( 9.889 0.000 -3.579) 10.517 16.945 ( 9.889 0.000 3.579) 10.517 17.304 ( 3.737 0.000 -0.002) 3.737 17.304 ( 3.737 0.000 0.002) 3.737 17.405 ( -0.780 0.000 -0.104) 0.787 17.405 ( -0.780 0.000 0.104) 0.787 17.658 ( 1.395 0.000 -0.259) 1.418 17.658 ( 1.395 0.000 0.259) 1.418 17.700 ( 0.131 0.000 -0.598) 0.612 17.700 ( 0.131 0.000 0.598) 0.612 17.925 ( -3.135 0.000 -0.372) 3.157 17.925 ( -3.135 0.000 0.372) 3.157 17.996 ( -0.545 0.000 -1.606) 1.696 17.996 ( -0.545 0.000 1.606) 1.696 18.430 ( 8.044 0.000 -0.715) 8.075 18.430 ( 8.044 0.000 0.715) 8.075 19.201 ( -5.427 0.000 -0.841) 5.492 19.201 ( -5.427 0.000 0.841) 5.492 19.860 ( -0.493 0.000 -0.777) 0.920 19.860 ( -0.493 0.000 0.777) 0.920 20.251 ( -3.979 0.000 -2.839) 4.888 20.251 ( -3.979 0.000 2.839) 4.888 20.480 ( 2.894 0.000 -6.564) 7.174 20.480 ( 2.894 0.000 6.564) 7.174 23.465 ( -2.183 0.000 -0.678) 2.285 23.465 ( -2.183 0.000 0.678) 2.285 23.594 ( -2.119 0.000 -0.048) 2.120 23.594 ( -2.119 0.000 0.048) 2.120 24.735 ( 0.027 0.000 -1.651) 1.651 24.735 ( 0.027 0.000 1.651) 1.651 24.855 ( 1.613 0.000 -1.890) 2.485 24.855 ( 1.613 0.000 1.890) 2.485 25.007 ( -0.685 0.000 -0.976) 1.193 25.007 ( -0.685 0.000 0.976) 1.193 25.625 ( 1.429 0.000 -0.920) 1.699 25.625 ( 1.429 0.000 0.920) 1.699 25.779 ( 0.014 0.000 -1.040) 1.041 25.779 ( 0.014 0.000 1.040) 1.041 26.211 ( 0.615 0.000 -0.294) 0.682 26.211 ( 0.615 0.000 0.294) 0.682 26.660 ( -5.147 0.000 -0.000) 5.147 26.660 ( -5.147 0.000 0.000) 5.147 26.777 ( 2.324 0.000 -1.598) 2.820 26.777 ( 2.324 0.000 1.598) 2.820 29.337 ( 0.307 0.000 -1.087) 1.129 29.337 ( 0.307 0.000 1.087) 1.129 29.408 ( -2.630 0.000 -1.068) 2.838 29.408 ( -2.630 0.000 1.068) 2.838 30.595 ( 4.769 0.000 -2.257) 5.276 30.595 ( 4.769 0.000 2.257) 5.276 30.672 ( 5.195 0.000 -3.789) 6.430 30.672 ( 5.195 0.000 3.789) 6.430 35.287 ( -1.603 0.000 -1.084) 1.935 35.287 ( -1.603 0.000 1.084) 1.935 35.304 ( -1.946 0.000 -0.404) 1.987 35.304 ( -1.946 0.000 0.404) 1.987 97.624 ( -0.476 0.000 -1.375) 1.456 97.624 ( -0.476 0.000 1.375) 1.456 97.647 ( -0.722 0.000 -1.473) 1.641 97.647 ( -0.722 0.000 1.473) 1.641 100.194 ( 1.022 0.000 -2.007) 2.252 100.194 ( 1.022 0.000 2.007) 2.252 100.297 ( -3.011 0.000 -0.311) 3.027 100.297 ( -3.011 0.000 0.311) 3.027 ======================= Grid point 175 (60/72) ======================= q-point: (-0.50 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.908 ( 0.000 0.000 0.000) 0.000 4.908 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.027 ( 0.000 0.000 0.000) 0.000 5.178 ( 0.000 0.000 0.000) 0.000 5.178 ( -0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.308 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.581 ( 0.000 0.000 0.000) 0.000 5.722 ( -0.000 0.000 -0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 5.837 ( 0.000 0.000 0.000) 0.000 6.132 ( -0.000 0.000 0.000) 0.000 6.132 ( -0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.181 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.327 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.471 ( 0.000 0.000 0.000) 0.000 6.662 ( -0.000 0.000 -0.000) 0.000 6.662 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.797 ( 0.000 0.000 0.000) 0.000 6.853 ( -0.000 0.000 -0.000) 0.000 6.853 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 6.931 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.299 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.326 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.510 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.857 ( -0.000 0.000 0.000) 0.000 7.857 ( -0.000 0.000 0.000) 0.000 8.167 ( -0.000 0.000 -0.000) 0.000 8.167 ( -0.000 0.000 0.000) 0.000 8.222 ( 0.000 0.000 -0.000) 0.000 8.222 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.348 ( 0.000 0.000 0.000) 0.000 8.482 ( -0.000 0.000 0.000) 0.000 8.482 ( 0.000 0.000 0.000) 0.000 8.559 ( -0.000 0.000 0.000) 0.000 8.559 ( 0.000 0.000 -0.000) 0.000 8.969 ( 0.000 0.000 -0.000) 0.000 8.969 ( 0.000 0.000 -0.000) 0.000 9.026 ( -0.000 0.000 0.000) 0.000 9.026 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.095 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.276 ( 0.000 0.000 0.000) 0.000 9.308 ( -0.000 0.000 0.000) 0.000 9.308 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.586 ( 0.000 0.000 0.000) 0.000 9.604 ( 0.000 0.000 0.000) 0.000 9.604 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.712 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 9.807 ( 0.000 0.000 0.000) 0.000 10.176 ( 0.000 0.000 -0.000) 0.000 10.176 ( 0.000 0.000 0.000) 0.000 10.294 ( 0.000 0.000 -0.000) 0.000 10.294 ( 0.000 0.000 0.000) 0.000 10.380 ( 0.000 0.000 -0.000) 0.000 10.380 ( 0.000 0.000 0.000) 0.000 10.381 ( -0.000 0.000 -0.000) 0.000 10.381 ( -0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.432 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.623 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.680 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 10.842 ( 0.000 0.000 0.000) 0.000 11.290 ( 0.000 0.000 -0.000) 0.000 11.290 ( 0.000 0.000 0.000) 0.000 11.467 ( 0.000 0.000 0.000) 0.000 11.467 ( 0.000 0.000 0.000) 0.000 11.513 ( 0.000 0.000 -0.000) 0.000 11.513 ( 0.000 0.000 -0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 11.740 ( 0.000 0.000 0.000) 0.000 11.887 ( 0.000 0.000 -0.000) 0.000 11.887 ( 0.000 0.000 0.000) 0.000 11.896 ( -0.000 0.000 -0.000) 0.000 11.896 ( -0.000 0.000 0.000) 0.000 12.393 ( 0.000 0.000 0.000) 0.000 12.393 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 0.000 0.000) 0.000 12.412 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.566 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.704 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 12.849 ( 0.000 0.000 0.000) 0.000 13.061 ( 0.000 0.000 -0.000) 0.000 13.061 ( 0.000 0.000 0.000) 0.000 13.074 ( 0.000 0.000 -0.000) 0.000 13.074 ( 0.000 0.000 -0.000) 0.000 13.500 ( -0.000 0.000 0.000) 0.000 13.500 ( -0.000 0.000 0.000) 0.000 13.505 ( 0.000 0.000 -0.000) 0.000 13.505 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.606 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.684 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 13.848 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 14.162 ( 0.000 0.000 0.000) 0.000 14.308 ( -0.000 0.000 0.000) 0.000 14.308 ( 0.000 0.000 0.000) 0.000 14.573 ( -0.000 0.000 0.000) 0.000 14.573 ( -0.000 0.000 0.000) 0.000 14.613 ( 0.000 0.000 -0.000) 0.000 14.613 ( 0.000 0.000 -0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 14.811 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.291 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 15.760 ( 0.000 0.000 0.000) 0.000 15.824 ( -0.000 0.000 0.000) 0.000 15.824 ( 0.000 0.000 0.000) 0.000 16.016 ( -0.000 0.000 0.000) 0.000 16.016 ( 0.000 0.000 0.000) 0.000 16.056 ( 0.000 0.000 0.000) 0.000 16.056 ( -0.000 0.000 0.000) 0.000 16.475 ( -0.000 0.000 0.000) 0.000 16.475 ( 0.000 0.000 0.000) 0.000 16.635 ( 0.000 0.000 0.000) 0.000 16.635 ( 0.000 0.000 0.000) 0.000 16.853 ( 0.000 0.000 0.000) 0.000 16.853 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.049 ( 0.000 0.000 0.000) 0.000 17.333 ( 0.000 0.000 0.000) 0.000 17.333 ( 0.000 0.000 0.000) 0.000 17.409 ( -0.000 0.000 0.000) 0.000 17.409 ( 0.000 0.000 0.000) 0.000 17.673 ( 0.000 0.000 0.000) 0.000 17.673 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.699 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 17.890 ( 0.000 0.000 0.000) 0.000 17.992 ( 0.000 0.000 0.000) 0.000 17.992 ( 0.000 0.000 0.000) 0.000 18.521 ( 0.000 0.000 0.000) 0.000 18.521 ( 0.000 0.000 0.000) 0.000 19.129 ( 0.000 0.000 0.000) 0.000 19.129 ( 0.000 0.000 0.000) 0.000 19.856 ( 0.000 0.000 0.000) 0.000 19.856 ( 0.000 0.000 0.000) 0.000 20.202 ( 0.000 0.000 0.000) 0.000 20.202 ( 0.000 0.000 0.000) 0.000 20.522 ( 0.000 0.000 0.000) 0.000 20.522 ( 0.000 0.000 0.000) 0.000 23.440 ( 0.000 0.000 0.000) 0.000 23.440 ( 0.000 0.000 0.000) 0.000 23.577 ( 0.000 0.000 0.000) 0.000 23.577 ( 0.000 0.000 0.000) 0.000 24.737 ( 0.000 0.000 0.000) 0.000 24.737 ( 0.000 0.000 0.000) 0.000 24.871 ( 0.000 0.000 0.000) 0.000 24.871 ( 0.000 0.000 0.000) 0.000 24.998 ( 0.000 0.000 0.000) 0.000 24.998 ( 0.000 0.000 0.000) 0.000 25.641 ( 0.000 0.000 0.000) 0.000 25.641 ( 0.000 0.000 0.000) 0.000 25.774 ( 0.000 0.000 0.000) 0.000 25.774 ( 0.000 0.000 0.000) 0.000 26.215 ( 0.000 0.000 0.000) 0.000 26.215 ( 0.000 0.000 0.000) 0.000 26.607 ( 0.000 0.000 -0.000) 0.000 26.607 ( 0.000 0.000 0.000) 0.000 26.805 ( 0.000 0.000 0.000) 0.000 26.805 ( 0.000 0.000 0.000) 0.000 29.342 ( 0.000 0.000 0.000) 0.000 29.342 ( 0.000 0.000 0.000) 0.000 29.381 ( 0.000 0.000 0.000) 0.000 29.381 ( 0.000 0.000 0.000) 0.000 30.643 ( 0.000 0.000 0.000) 0.000 30.643 ( 0.000 0.000 0.000) 0.000 30.724 ( 0.000 0.000 -0.000) 0.000 30.724 ( 0.000 0.000 0.000) 0.000 35.271 ( 0.000 0.000 0.000) 0.000 35.271 ( 0.000 0.000 0.000) 0.000 35.284 ( 0.000 0.000 0.000) 0.000 35.284 ( 0.000 0.000 0.000) 0.000 97.619 ( 0.000 0.000 0.000) 0.000 97.619 ( 0.000 0.000 0.000) 0.000 97.640 ( 0.000 0.000 0.000) 0.000 97.640 ( 0.000 0.000 0.000) 0.000 100.210 ( 0.000 0.000 0.000) 0.000 100.210 ( 0.000 0.000 0.000) 0.000 100.261 ( 0.000 0.000 0.000) 0.000 100.261 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 187 (61/72) ======================= q-point: ( 0.00 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.997 ( 0.000 10.804 -39.654) 41.099 2.997 ( 0.000 10.804 39.654) 41.099 3.060 ( 0.000 13.880 -42.476) 44.686 3.060 ( 0.000 13.880 42.476) 44.686 3.969 ( 0.000 -27.777 -28.434) 39.750 3.969 ( 0.000 -27.777 28.434) 39.750 4.039 ( 0.000 -20.456 -17.800) 27.116 4.039 ( 0.000 -20.456 17.800) 27.116 4.872 ( 0.000 25.568 -40.566) 47.951 4.872 ( 0.000 25.568 40.566) 47.951 5.171 ( 0.000 26.326 -35.704) 44.361 5.171 ( 0.000 26.326 35.704) 44.361 5.485 ( 0.000 19.280 -5.194) 19.967 5.485 ( 0.000 19.280 5.194) 19.967 5.825 ( 0.000 -12.857 -12.606) 18.006 5.825 ( 0.000 -12.857 12.606) 18.006 6.274 ( 0.000 -23.251 -20.451) 30.966 6.274 ( 0.000 -23.251 20.451) 30.966 6.384 ( 0.000 -11.889 -1.594) 11.995 6.384 ( 0.000 -11.889 1.594) 11.995 6.715 ( 0.000 -10.296 -2.256) 10.541 6.715 ( 0.000 -10.296 2.256) 10.541 6.847 ( 0.000 -5.441 -3.141) 6.283 6.847 ( 0.000 -5.441 3.141) 6.283 7.053 ( 0.000 -5.041 -0.211) 5.046 7.053 ( 0.000 -5.041 0.211) 5.046 7.068 ( 0.000 -13.675 -0.060) 13.675 7.068 ( 0.000 -13.675 0.060) 13.675 7.238 ( 0.000 9.121 -8.422) 12.414 7.238 ( 0.000 9.121 8.422) 12.414 7.468 ( 0.000 1.491 -1.527) 2.134 7.468 ( 0.000 1.491 1.527) 2.134 7.730 ( 0.000 2.285 -0.747) 2.404 7.730 ( 0.000 2.285 0.747) 2.404 7.841 ( 0.000 6.898 -3.489) 7.730 7.841 ( 0.000 6.898 3.489) 7.730 7.942 ( 0.000 -4.028 -1.496) 4.296 7.942 ( 0.000 -4.028 1.496) 4.296 8.018 ( 0.000 7.807 -3.869) 8.713 8.018 ( 0.000 7.807 3.869) 8.713 8.157 ( 0.000 6.013 -0.525) 6.036 8.157 ( 0.000 6.013 0.525) 6.036 8.315 ( 0.000 9.967 -1.219) 10.041 8.315 ( 0.000 9.967 1.219) 10.041 8.607 ( 0.000 -4.810 -6.003) 7.692 8.607 ( 0.000 -4.810 6.003) 7.692 8.615 ( 0.000 5.656 -9.982) 11.473 8.615 ( 0.000 5.656 9.982) 11.473 8.743 ( 0.000 5.803 -7.613) 9.572 8.743 ( 0.000 5.803 7.613) 9.573 8.796 ( 0.000 1.384 -0.955) 1.682 8.796 ( 0.000 1.384 0.955) 1.682 8.895 ( 0.000 -3.895 -3.502) 5.238 8.895 ( 0.000 -3.895 3.502) 5.238 9.253 ( 0.000 1.604 -2.139) 2.674 9.253 ( 0.000 1.604 2.139) 2.674 9.289 ( 0.000 8.570 -15.442) 17.661 9.289 ( 0.000 8.570 15.442) 17.661 9.450 ( 0.000 -0.762 -6.674) 6.718 9.450 ( 0.000 -0.762 6.674) 6.718 9.587 ( 0.000 5.624 -0.171) 5.627 9.587 ( 0.000 5.624 0.171) 5.627 9.698 ( 0.000 -1.264 -1.622) 2.056 9.698 ( 0.000 -1.264 1.622) 2.056 10.009 ( 0.000 -2.548 -0.282) 2.564 10.009 ( 0.000 -2.548 0.282) 2.564 10.129 ( 0.000 -1.550 -2.719) 3.129 10.129 ( 0.000 -1.550 2.719) 3.129 10.172 ( 0.000 2.604 -0.046) 2.604 10.172 ( 0.000 2.604 0.046) 2.604 10.401 ( 0.000 -8.627 -0.642) 8.651 10.401 ( 0.000 -8.627 0.642) 8.651 10.601 ( 0.000 -0.829 -5.738) 5.798 10.601 ( 0.000 -0.829 5.738) 5.798 10.632 ( 0.000 -1.437 -5.830) 6.004 10.632 ( 0.000 -1.437 5.830) 6.004 10.733 ( 0.000 -1.227 -3.937) 4.124 10.733 ( 0.000 -1.227 3.937) 4.124 10.885 ( 0.000 -4.438 -0.541) 4.471 10.885 ( 0.000 -4.438 0.541) 4.471 10.936 ( 0.000 -6.997 -0.830) 7.046 10.936 ( 0.000 -6.997 0.830) 7.046 11.077 ( 0.000 -3.847 -1.555) 4.150 11.077 ( 0.000 -3.847 1.555) 4.150 11.153 ( 0.000 6.451 -5.326) 8.365 11.153 ( 0.000 6.451 5.326) 8.365 11.388 ( 0.000 -4.203 -4.590) 6.224 11.388 ( 0.000 -4.203 4.590) 6.224 11.432 ( 0.000 6.018 -2.410) 6.483 11.432 ( 0.000 6.018 2.410) 6.483 11.649 ( 0.000 4.683 -2.230) 5.187 11.649 ( 0.000 4.683 2.230) 5.187 11.896 ( 0.000 3.784 -1.218) 3.975 11.896 ( 0.000 3.784 1.218) 3.975 12.022 ( 0.000 -2.462 -11.186) 11.454 12.022 ( 0.000 -2.462 11.186) 11.454 12.279 ( 0.000 -3.685 -0.684) 3.748 12.279 ( 0.000 -3.685 0.684) 3.748 12.468 ( 0.000 -10.477 -3.028) 10.906 12.468 ( 0.000 -10.477 3.028) 10.906 12.593 ( 0.000 -7.275 -3.402) 8.031 12.593 ( 0.000 -7.275 3.402) 8.031 12.819 ( 0.000 6.631 -2.052) 6.941 12.819 ( 0.000 6.631 2.052) 6.941 12.932 ( 0.000 2.708 -8.478) 8.900 12.932 ( 0.000 2.708 8.478) 8.900 13.044 ( 0.000 3.019 -1.876) 3.554 13.044 ( 0.000 3.019 1.876) 3.554 13.240 ( 0.000 -1.753 -0.553) 1.838 13.240 ( 0.000 -1.753 0.553) 1.838 13.496 ( 0.000 1.629 -0.134) 1.635 13.496 ( 0.000 1.629 0.134) 1.635 13.591 ( 0.000 -1.500 -8.675) 8.804 13.591 ( 0.000 -1.500 8.675) 8.804 13.747 ( 0.000 -3.659 -0.382) 3.678 13.747 ( 0.000 -3.659 0.382) 3.678 13.771 ( 0.000 1.620 -0.878) 1.842 13.771 ( 0.000 1.620 0.878) 1.842 13.965 ( 0.000 6.427 -0.908) 6.491 13.965 ( 0.000 6.427 0.908) 6.491 14.125 ( 0.000 6.663 -3.213) 7.397 14.125 ( 0.000 6.663 3.213) 7.397 14.565 ( 0.000 2.502 -7.140) 7.566 14.565 ( 0.000 2.502 7.140) 7.566 14.750 ( 0.000 -0.359 -4.203) 4.218 14.750 ( 0.000 -0.359 4.203) 4.218 14.873 ( 0.000 4.564 -3.516) 5.762 14.873 ( 0.000 4.564 3.516) 5.762 14.886 ( 0.000 -3.364 -1.644) 3.745 14.886 ( 0.000 -3.364 1.644) 3.745 15.064 ( 0.000 3.948 -4.944) 6.326 15.064 ( 0.000 3.948 4.944) 6.326 15.343 ( 0.000 -0.933 -0.145) 0.944 15.343 ( 0.000 -0.933 0.145) 0.944 15.680 ( 0.000 -7.702 -2.578) 8.122 15.680 ( 0.000 -7.702 2.578) 8.122 15.997 ( 0.000 4.472 -0.996) 4.582 15.997 ( 0.000 4.472 0.996) 4.582 16.134 ( 0.000 11.317 -5.146) 12.432 16.134 ( 0.000 11.317 5.146) 12.432 16.278 ( 0.000 -7.019 -6.922) 9.857 16.278 ( 0.000 -7.019 6.922) 9.857 16.681 ( 0.000 -5.629 -6.670) 8.728 16.681 ( 0.000 -5.629 6.670) 8.728 16.900 ( 0.000 -4.814 -3.535) 5.972 16.900 ( 0.000 -4.814 3.535) 5.972 17.049 ( 0.000 0.024 -0.020) 0.031 17.049 ( 0.000 0.024 0.020) 0.031 17.151 ( 0.000 -0.395 -3.663) 3.684 17.151 ( 0.000 -0.395 3.663) 3.684 17.229 ( 0.000 4.285 -1.680) 4.603 17.229 ( 0.000 4.285 1.680) 4.603 17.445 ( 0.000 -8.641 -2.260) 8.932 17.445 ( 0.000 -8.641 2.260) 8.932 17.601 ( 0.000 -0.363 -2.046) 2.078 17.601 ( 0.000 -0.363 2.046) 2.078 17.856 ( 0.000 11.564 -6.234) 13.137 17.856 ( 0.000 11.564 6.234) 13.137 18.149 ( 0.000 -2.129 -7.181) 7.490 18.149 ( 0.000 -2.129 7.181) 7.490 18.251 ( 0.000 -4.159 -0.326) 4.172 18.251 ( 0.000 -4.159 0.326) 4.172 18.320 ( 0.000 -0.514 -2.515) 2.567 18.320 ( 0.000 -0.514 2.515) 2.567 19.904 ( 0.000 -0.508 -0.981) 1.105 19.904 ( 0.000 -0.508 0.981) 1.105 20.361 ( 0.000 -5.478 -5.711) 7.914 20.361 ( 0.000 -5.478 5.711) 7.914 21.612 ( 0.000 9.538 -19.769) 21.950 21.612 ( 0.000 9.538 19.769) 21.950 23.750 ( 0.000 -0.200 -0.904) 0.926 23.750 ( 0.000 -0.200 0.904) 0.926 23.910 ( 0.000 -0.042 -0.044) 0.061 23.910 ( 0.000 -0.042 0.044) 0.061 24.679 ( 0.000 -0.062 -1.552) 1.553 24.679 ( 0.000 -0.062 1.552) 1.553 24.750 ( 0.000 -1.208 -0.788) 1.442 24.750 ( 0.000 -1.208 0.788) 1.442 24.818 ( 0.000 1.791 -1.731) 2.490 24.818 ( 0.000 1.791 1.731) 2.490 24.965 ( 0.000 -0.893 -0.292) 0.939 24.965 ( 0.000 -0.893 0.292) 0.939 25.616 ( 0.000 8.294 -3.976) 9.198 25.616 ( 0.000 8.294 3.976) 9.198 26.128 ( 0.000 -17.184 -4.303) 17.715 26.128 ( 0.000 -17.184 4.303) 17.715 26.670 ( 0.000 7.490 -0.510) 7.507 26.670 ( 0.000 7.490 0.510) 7.507 27.328 ( 0.000 -0.557 -0.915) 1.071 27.328 ( 0.000 -0.557 0.915) 1.071 29.351 ( 0.000 0.631 -2.329) 2.413 29.351 ( 0.000 0.631 2.329) 2.413 29.877 ( 0.000 -2.393 -2.441) 3.418 29.877 ( 0.000 -2.393 2.441) 3.418 30.015 ( 0.000 -0.122 -2.577) 2.579 30.015 ( 0.000 -0.122 2.577) 2.579 30.071 ( 0.000 -0.106 -2.209) 2.211 30.071 ( 0.000 -0.106 2.209) 2.211 35.452 ( 0.000 1.235 -2.332) 2.639 35.452 ( 0.000 1.235 2.332) 2.639 35.501 ( 0.000 -0.557 -0.057) 0.560 35.501 ( 0.000 -0.557 0.057) 0.560 97.686 ( 0.000 -0.173 -3.301) 3.306 97.686 ( 0.000 -0.173 3.301) 3.306 97.775 ( 0.000 -0.587 -1.175) 1.314 97.775 ( 0.000 -0.587 1.175) 1.314 100.180 ( 0.000 2.963 -2.938) 4.173 100.180 ( 0.000 2.963 2.938) 4.173 100.509 ( 0.000 -1.102 -2.015) 2.296 100.509 ( 0.000 -1.102 2.015) 2.296 ======================= Grid point 189 (62/72) ======================= q-point: ( 0.10 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.104 ( 10.062 13.381 0.000) 16.742 3.130 ( 14.580 10.617 -0.000) 18.036 3.172 ( 11.616 15.753 0.000) 19.573 3.224 ( 16.213 12.441 -0.000) 20.436 3.954 ( 4.080 -28.041 0.000) 28.336 4.024 ( 9.008 -23.997 -0.000) 25.633 4.171 ( 10.999 -28.229 -0.000) 30.296 4.195 ( 10.417 -21.357 0.000) 23.762 4.999 ( 16.005 27.353 0.000) 31.691 5.037 ( -0.462 27.846 -0.000) 27.850 5.189 ( 21.773 24.016 -0.000) 32.416 5.476 ( 19.625 19.024 0.000) 27.332 5.560 ( 9.087 23.840 0.000) 25.514 5.599 ( 10.252 15.057 -0.000) 18.216 5.889 ( 6.765 -12.937 0.000) 14.599 5.924 ( 9.689 -10.374 -0.000) 14.195 6.305 ( 3.212 -11.670 0.000) 12.104 6.360 ( 0.269 -0.545 0.000) 0.608 6.435 ( 3.706 -14.192 -0.000) 14.668 6.443 ( 11.687 -24.928 0.000) 27.532 6.713 ( 2.019 -15.957 0.000) 16.084 6.732 ( -3.362 -9.501 0.000) 10.078 6.790 ( -1.471 -5.911 -0.000) 6.092 6.802 ( -4.077 -5.978 -0.000) 7.236 6.980 ( -2.400 1.315 0.000) 2.736 7.049 ( -0.340 -11.545 0.000) 11.550 7.128 ( 1.590 -14.301 -0.000) 14.389 7.138 ( 0.531 -5.416 0.000) 5.442 7.221 ( 1.329 5.551 0.000) 5.708 7.238 ( -2.892 3.487 0.000) 4.530 7.473 ( 2.508 -1.414 0.000) 2.879 7.505 ( 2.018 1.199 0.000) 2.347 7.614 ( -10.693 3.790 0.000) 11.345 7.645 ( -1.796 0.419 -0.000) 1.844 7.728 ( -10.917 1.766 0.000) 11.059 7.800 ( -7.435 4.275 0.000) 8.577 7.852 ( -11.406 2.038 0.000) 11.587 7.913 ( -8.376 4.120 0.000) 9.335 7.996 ( -1.635 1.201 -0.000) 2.029 8.071 ( -1.617 2.930 0.000) 3.347 8.103 ( 4.338 -2.990 0.000) 5.269 8.135 ( 2.382 0.534 0.000) 2.442 8.187 ( -7.031 2.944 0.000) 7.623 8.209 ( -19.516 -2.411 -0.000) 19.665 8.363 ( -8.179 1.053 0.000) 8.246 8.416 ( -11.125 0.510 0.000) 11.137 8.468 ( -9.203 15.126 0.000) 17.706 8.549 ( 2.492 21.339 0.000) 21.484 8.768 ( 1.151 8.711 0.000) 8.787 8.775 ( -0.026 4.605 -0.000) 4.605 8.903 ( 2.322 -5.430 0.000) 5.905 8.968 ( 4.634 2.457 0.000) 5.245 9.070 ( 12.784 0.963 0.000) 12.820 9.091 ( -1.545 -4.002 0.000) 4.290 9.201 ( 7.810 2.876 0.000) 8.323 9.230 ( 3.683 7.296 -0.000) 8.173 9.267 ( -4.579 6.135 0.000) 7.656 9.364 ( 2.570 -3.459 0.000) 4.309 9.420 ( 2.788 3.041 0.000) 4.125 9.432 ( -9.928 -2.133 0.000) 10.154 9.460 ( -4.529 2.233 0.000) 5.050 9.593 ( 3.298 0.517 0.000) 3.338 9.721 ( 4.814 3.927 -0.000) 6.212 9.788 ( 2.869 1.265 0.000) 3.135 9.986 ( -1.323 -0.252 0.000) 1.347 10.056 ( -1.318 2.638 0.000) 2.949 10.102 ( -3.905 -2.404 0.000) 4.586 10.124 ( -4.813 0.824 -0.000) 4.883 10.129 ( -0.906 -1.316 0.000) 1.597 10.212 ( 3.573 -0.386 0.000) 3.594 10.325 ( -12.226 -3.194 0.000) 12.636 10.359 ( -6.423 -5.455 0.000) 8.427 10.438 ( -14.167 -1.590 -0.000) 14.256 10.442 ( -6.932 -3.067 0.000) 7.581 10.609 ( -6.142 -4.952 0.000) 7.890 10.637 ( 2.755 -1.947 -0.000) 3.373 10.691 ( 2.229 -3.271 0.000) 3.958 10.718 ( -11.619 -10.461 0.000) 15.634 10.782 ( -2.806 -1.646 -0.000) 3.253 10.783 ( -6.000 0.395 0.000) 6.013 10.888 ( -0.604 0.852 0.000) 1.044 10.897 ( -2.331 -2.523 0.000) 3.435 11.000 ( -2.056 1.191 0.000) 2.376 11.028 ( 1.180 -1.578 0.000) 1.970 11.124 ( 2.293 0.418 0.000) 2.331 11.207 ( -3.022 2.095 0.000) 3.677 11.260 ( 1.052 0.590 -0.000) 1.207 11.308 ( -2.919 6.196 0.000) 6.850 11.504 ( 0.221 -4.053 0.000) 4.059 11.583 ( 6.566 0.038 0.000) 6.566 11.834 ( -1.784 -2.110 0.000) 2.763 11.897 ( 11.761 3.892 0.000) 12.389 11.927 ( 11.724 -0.926 0.000) 11.761 12.007 ( -0.088 -4.493 -0.000) 4.494 12.062 ( 6.111 -1.411 0.000) 6.272 12.127 ( 10.726 -2.179 0.000) 10.945 12.203 ( -4.741 -1.664 0.000) 5.025 12.247 ( -9.642 -4.887 0.000) 10.810 12.345 ( 2.866 1.341 0.000) 3.164 12.473 ( 1.331 -4.303 0.000) 4.504 12.533 ( 1.958 -2.034 0.000) 2.823 12.711 ( 1.796 -3.679 0.000) 4.094 12.753 ( -2.360 4.009 0.000) 4.652 12.849 ( 3.247 1.477 0.000) 3.567 12.922 ( -0.007 4.836 0.000) 4.836 12.977 ( 0.538 -0.985 0.000) 1.122 13.005 ( 0.817 2.954 0.000) 3.065 13.059 ( -1.250 -1.266 0.000) 1.779 13.214 ( -1.086 0.675 0.000) 1.279 13.290 ( 2.183 -4.289 0.000) 4.813 13.409 ( -3.798 5.357 0.000) 6.567 13.528 ( -2.260 -0.463 0.000) 2.307 13.612 ( 0.188 2.943 0.000) 2.949 13.615 ( -0.677 -3.233 -0.000) 3.303 13.683 ( -4.908 -3.207 0.000) 5.863 13.702 ( 1.466 4.514 0.000) 4.746 13.791 ( 2.183 -3.264 0.000) 3.927 13.826 ( 2.626 -1.957 0.000) 3.275 13.916 ( -2.107 4.044 0.000) 4.560 13.937 ( -2.779 3.915 0.000) 4.802 14.151 ( 5.356 6.556 0.000) 8.465 14.168 ( 0.526 8.350 0.000) 8.367 14.454 ( -0.751 -4.323 0.000) 4.387 14.478 ( -14.989 -2.438 -0.000) 15.186 14.688 ( -0.974 8.395 0.000) 8.451 14.705 ( -14.054 8.218 0.000) 16.281 14.821 ( -1.477 -2.527 0.000) 2.927 14.898 ( -1.491 -2.191 0.000) 2.650 14.919 ( 3.300 -0.233 -0.000) 3.309 14.922 ( -4.035 0.285 0.000) 4.045 15.051 ( -1.654 3.698 0.000) 4.051 15.120 ( 4.753 3.029 0.000) 5.636 15.432 ( 11.272 -0.121 0.000) 11.272 15.471 ( 13.170 0.904 0.000) 13.201 15.664 ( 2.142 -7.996 0.000) 8.278 15.680 ( 0.227 -10.162 0.000) 10.165 15.947 ( -3.545 1.962 0.000) 4.052 15.990 ( -1.597 4.759 0.000) 5.020 16.064 ( -5.780 11.429 0.000) 12.808 16.121 ( -1.826 6.319 0.000) 6.577 16.273 ( 0.271 -6.974 -0.000) 6.979 16.289 ( 1.389 -3.386 0.000) 3.660 16.538 ( -9.768 -6.699 0.000) 11.844 16.623 ( -5.305 -4.495 0.000) 6.953 16.878 ( -2.670 -2.028 0.000) 3.353 16.892 ( -0.030 -2.340 -0.000) 2.341 16.974 ( -3.122 0.763 0.000) 3.214 16.984 ( 3.846 0.268 0.000) 3.855 17.102 ( -4.571 1.030 0.000) 4.686 17.265 ( 2.333 7.123 0.000) 7.496 17.334 ( -1.636 -10.733 0.000) 10.857 17.390 ( 11.015 -0.174 0.000) 11.016 17.413 ( 11.421 1.008 0.000) 11.465 17.572 ( 2.669 -6.358 0.000) 6.896 17.616 ( 1.315 -0.058 -0.000) 1.316 17.618 ( 2.294 -1.212 0.000) 2.595 17.778 ( -0.052 7.947 0.000) 7.947 17.992 ( 6.445 9.136 0.000) 11.180 18.046 ( -5.133 -5.066 0.000) 7.212 18.124 ( -3.779 -0.264 0.000) 3.788 18.139 ( -2.275 -0.908 0.000) 2.450 18.210 ( -1.316 0.091 0.000) 1.319 18.612 ( 19.372 -1.917 0.000) 19.467 18.625 ( 22.476 -2.179 -0.000) 22.582 19.900 ( -0.407 -0.576 -0.000) 0.705 19.900 ( -0.391 -0.556 0.000) 0.680 20.305 ( -4.080 -4.297 0.000) 5.925 20.351 ( -2.021 -4.721 -0.000) 5.135 21.349 ( -22.633 8.187 0.000) 24.068 21.361 ( -21.713 7.835 -0.000) 23.084 23.686 ( -5.304 -0.073 0.000) 5.305 23.691 ( -5.246 -0.062 -0.000) 5.247 23.889 ( -2.880 -0.034 -0.000) 2.881 23.891 ( -2.772 -0.028 0.000) 2.772 24.725 ( 1.232 0.408 0.000) 1.297 24.728 ( 2.221 0.607 -0.000) 2.303 24.760 ( -0.257 -1.424 0.000) 1.447 24.770 ( 1.245 -1.354 -0.000) 1.839 24.897 ( 5.359 1.019 0.000) 5.455 24.918 ( 6.548 0.999 0.000) 6.624 25.074 ( 14.935 -0.805 0.000) 14.956 25.106 ( 16.556 -0.809 0.000) 16.576 25.613 ( 0.156 7.197 0.000) 7.198 25.642 ( 2.369 9.971 0.000) 10.248 26.049 ( -3.924 -15.273 0.000) 15.769 26.207 ( 4.272 -17.001 0.000) 17.530 26.599 ( -3.871 9.093 0.000) 9.883 26.722 ( 1.993 4.761 0.000) 5.162 27.248 ( -7.878 -0.492 0.000) 7.894 27.253 ( -7.293 -0.438 0.000) 7.306 29.345 ( -0.469 0.515 0.000) 0.696 29.347 ( -0.378 0.516 -0.000) 0.640 29.768 ( -7.673 -1.230 0.000) 7.771 29.785 ( -8.269 -1.262 0.000) 8.364 30.100 ( 7.335 -0.701 0.000) 7.369 30.110 ( 8.625 -1.797 0.000) 8.810 30.135 ( 6.594 0.976 0.000) 6.666 30.168 ( 7.494 -0.148 -0.000) 7.496 35.430 ( -1.910 0.932 -0.000) 2.125 35.440 ( -1.512 1.265 0.000) 1.971 35.473 ( -2.457 -0.722 0.000) 2.561 35.481 ( -2.123 -0.386 0.000) 2.158 97.672 ( -0.981 -0.193 0.000) 1.000 97.684 ( -0.486 -0.202 -0.000) 0.526 97.744 ( -2.398 -0.301 -0.000) 2.417 97.759 ( -1.830 -0.319 0.000) 1.858 100.159 ( -0.695 1.959 -0.000) 2.079 100.196 ( 0.343 2.148 0.000) 2.175 100.478 ( -2.213 -0.745 0.000) 2.335 100.502 ( -1.461 -0.539 0.000) 1.558 ======================= Grid point 191 (63/72) ======================= q-point: ( 0.20 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.439 ( 23.862 10.264 0.000) 25.976 3.472 ( 21.622 11.590 0.000) 24.533 3.584 ( 27.885 12.832 -0.000) 30.695 3.619 ( 23.383 12.628 -0.000) 26.575 4.154 ( 16.085 -23.082 0.000) 28.134 4.349 ( 22.588 -25.090 -0.000) 33.760 4.421 ( 14.580 -24.161 -0.000) 28.220 4.446 ( 15.369 -20.126 0.000) 25.323 5.133 ( 10.326 24.828 0.000) 26.889 5.341 ( 16.868 23.209 0.000) 28.691 5.577 ( 14.326 22.447 0.000) 26.629 5.730 ( 9.272 15.609 0.000) 18.155 5.894 ( 17.663 2.564 0.000) 17.849 5.976 ( 23.458 15.658 0.000) 28.204 6.070 ( 10.096 -10.151 0.000) 14.316 6.170 ( 13.368 -1.273 0.000) 13.429 6.327 ( 0.555 1.042 0.000) 1.181 6.349 ( -0.701 1.155 0.000) 1.351 6.510 ( 5.632 -5.285 0.000) 7.723 6.563 ( -9.733 -1.647 0.000) 9.871 6.652 ( 4.633 -10.971 0.000) 11.909 6.657 ( -11.946 -2.130 -0.000) 12.135 6.801 ( 3.726 -14.754 0.000) 15.218 6.840 ( 1.231 -6.444 0.000) 6.561 6.903 ( -7.275 0.455 0.000) 7.290 6.952 ( -2.412 -1.702 0.000) 2.952 7.093 ( -5.226 -9.797 0.000) 11.104 7.158 ( -1.451 -9.898 0.000) 10.003 7.163 ( 0.778 -4.570 -0.000) 4.636 7.335 ( 10.826 -9.789 0.000) 14.596 7.420 ( -5.769 4.175 0.000) 7.121 7.470 ( -11.749 -4.363 0.000) 12.533 7.501 ( -12.906 -2.113 -0.000) 13.078 7.514 ( -1.104 5.907 -0.000) 6.009 7.560 ( -1.172 -1.950 0.000) 2.275 7.605 ( -14.218 -6.385 0.000) 15.586 7.726 ( -1.749 0.572 0.000) 1.840 7.788 ( -3.952 -3.073 0.000) 5.006 7.805 ( -6.228 -7.500 -0.000) 9.749 7.863 ( -7.043 2.581 0.000) 7.501 7.971 ( -9.108 -0.644 -0.000) 9.130 8.032 ( -5.456 1.873 0.000) 5.768 8.104 ( -14.041 0.353 0.000) 14.046 8.178 ( -11.432 0.203 0.000) 11.434 8.278 ( 10.286 -1.556 0.000) 10.403 8.389 ( 13.002 1.300 -0.000) 13.066 8.496 ( 4.310 15.591 0.000) 16.175 8.549 ( -5.135 17.723 -0.000) 18.452 8.686 ( -6.673 5.640 0.000) 8.737 8.758 ( 0.218 3.222 0.000) 3.229 8.831 ( -7.888 0.927 0.000) 7.942 8.943 ( -3.763 2.912 0.000) 4.758 9.017 ( 0.464 3.839 0.000) 3.867 9.092 ( -9.174 7.094 0.000) 11.596 9.190 ( -11.844 -6.760 0.000) 13.637 9.322 ( 4.308 3.211 0.000) 5.374 9.328 ( 3.279 13.524 -0.000) 13.916 9.355 ( 2.305 2.503 0.000) 3.403 9.419 ( 2.175 -0.288 0.000) 2.194 9.432 ( -2.475 -3.106 0.000) 3.972 9.533 ( 8.234 -0.046 0.000) 8.234 9.618 ( -0.485 -4.514 -0.000) 4.540 9.747 ( -4.413 1.053 -0.000) 4.537 9.773 ( -7.479 -2.333 0.000) 7.834 9.877 ( -7.592 1.343 0.000) 7.710 9.901 ( -4.130 1.528 0.000) 4.404 9.970 ( -8.705 3.018 0.000) 9.213 10.000 ( -5.143 0.968 -0.000) 5.234 10.088 ( -6.865 1.045 0.000) 6.944 10.132 ( -2.239 -2.369 0.000) 3.259 10.194 ( 0.912 4.522 0.000) 4.613 10.279 ( 1.571 2.351 0.000) 2.828 10.426 ( 1.735 -2.749 0.000) 3.250 10.427 ( -6.578 -1.157 -0.000) 6.679 10.455 ( -2.591 -5.403 0.000) 5.992 10.510 ( -4.858 -7.506 0.000) 8.941 10.557 ( -10.903 -2.753 0.000) 11.246 10.640 ( -4.697 -10.848 0.000) 11.821 10.753 ( 0.587 -1.678 0.000) 1.778 10.761 ( 0.207 1.289 -0.000) 1.306 10.847 ( -1.463 -2.813 0.000) 3.170 10.916 ( 1.868 -2.669 0.000) 3.258 11.015 ( -2.888 5.605 0.000) 6.305 11.057 ( 1.241 4.950 0.000) 5.103 11.132 ( -1.261 1.486 0.000) 1.949 11.158 ( 2.232 0.464 0.000) 2.279 11.281 ( 0.212 1.901 -0.000) 1.913 11.350 ( 6.179 2.427 0.000) 6.639 11.505 ( 0.855 -7.288 0.000) 7.337 11.608 ( -2.510 -8.401 0.000) 8.768 11.847 ( 1.628 -4.517 0.000) 4.802 11.955 ( -5.440 -5.198 0.000) 7.525 11.965 ( 0.420 0.266 -0.000) 0.497 12.065 ( 0.102 1.208 0.000) 1.212 12.107 ( -4.858 -0.595 -0.000) 4.894 12.122 ( 10.674 0.298 0.000) 10.678 12.198 ( -5.866 -3.662 0.000) 6.915 12.242 ( 6.586 -0.202 0.000) 6.589 12.431 ( 4.682 0.103 0.000) 4.683 12.518 ( 3.401 -1.696 0.000) 3.801 12.645 ( -4.950 2.321 0.000) 5.467 12.662 ( 3.811 3.192 -0.000) 4.971 12.846 ( -5.826 -2.183 -0.000) 6.221 12.847 ( -6.230 -0.469 0.000) 6.248 12.876 ( 9.545 3.632 0.000) 10.213 12.990 ( -1.570 5.882 0.000) 6.088 13.060 ( 4.684 0.033 0.000) 4.684 13.062 ( 2.900 -2.251 -0.000) 3.671 13.158 ( -5.028 1.896 0.000) 5.374 13.304 ( -3.348 5.071 0.000) 6.077 13.358 ( 2.486 -8.166 0.000) 8.536 13.460 ( -10.258 -1.332 0.000) 10.344 13.488 ( -2.937 -2.602 0.000) 3.924 13.521 ( -10.463 -1.556 -0.000) 10.578 13.636 ( 2.722 7.729 0.000) 8.194 13.790 ( 3.613 7.761 0.000) 8.561 13.811 ( -0.871 -2.570 0.000) 2.714 13.898 ( 3.352 1.082 0.000) 3.522 13.967 ( 7.076 -0.485 -0.000) 7.092 13.987 ( 8.696 -2.012 0.000) 8.926 14.092 ( -12.446 0.686 0.000) 12.464 14.172 ( 1.321 2.427 -0.000) 2.763 14.366 ( -18.046 9.885 0.000) 20.576 14.390 ( 5.234 7.339 0.000) 9.014 14.471 ( -1.185 -1.184 -0.000) 1.675 14.494 ( -12.587 0.857 0.000) 12.616 14.771 ( -8.155 -2.896 0.000) 8.654 14.771 ( -8.217 -2.708 -0.000) 8.652 14.782 ( -4.741 -3.129 -0.000) 5.680 14.889 ( -3.513 -6.090 0.000) 7.031 15.093 ( 5.286 10.182 0.000) 11.472 15.261 ( 8.978 9.373 0.000) 12.979 15.608 ( 5.575 -8.216 0.000) 9.929 15.635 ( 1.875 -11.313 -0.000) 11.467 15.743 ( -0.093 -0.355 0.000) 0.367 15.809 ( 4.377 2.978 0.000) 5.294 15.914 ( -6.075 2.468 0.000) 6.557 15.968 ( 3.170 0.112 -0.000) 3.172 16.016 ( 11.967 2.491 0.000) 12.224 16.091 ( -1.000 -0.935 0.000) 1.369 16.322 ( 5.564 -3.608 0.000) 6.632 16.350 ( 4.808 3.951 0.000) 6.223 16.426 ( 0.500 -7.856 0.000) 7.872 16.565 ( 0.441 -2.317 0.000) 2.359 16.854 ( -0.780 0.460 0.000) 0.906 16.879 ( -1.928 1.770 0.000) 2.617 16.932 ( -0.959 -3.462 0.000) 3.592 16.977 ( -5.577 -3.658 0.000) 6.670 17.126 ( 6.713 4.008 0.000) 7.819 17.238 ( -2.510 2.886 0.000) 3.825 17.379 ( 3.794 -0.574 0.000) 3.837 17.554 ( 3.594 1.285 -0.000) 3.816 17.580 ( 4.824 0.957 0.000) 4.918 17.592 ( 1.180 -0.081 -0.000) 1.182 17.615 ( -0.050 0.760 -0.000) 0.762 17.654 ( 2.711 0.363 0.000) 2.735 17.863 ( 6.121 -3.746 0.000) 7.176 17.979 ( -1.570 -4.823 0.000) 5.072 18.052 ( -3.211 0.350 0.000) 3.230 18.071 ( -1.827 0.325 0.000) 1.855 18.145 ( 5.912 3.200 0.000) 6.723 18.194 ( -0.642 1.421 0.000) 1.559 18.996 ( 17.387 -1.148 0.000) 17.425 19.050 ( 18.487 -1.204 0.000) 18.526 19.890 ( -0.621 -0.636 -0.000) 0.889 19.891 ( -0.511 -0.596 0.000) 0.785 20.232 ( -2.248 -1.387 0.000) 2.641 20.306 ( -1.613 -2.090 -0.000) 2.640 20.884 ( -22.357 4.934 0.000) 22.895 20.917 ( -21.357 4.363 -0.000) 21.798 23.582 ( -4.693 0.056 0.000) 4.693 23.586 ( -4.754 0.062 0.000) 4.755 23.795 ( -6.245 0.003 0.000) 6.245 23.798 ( -6.178 0.008 0.000) 6.178 24.743 ( 0.713 -0.275 0.000) 0.764 24.745 ( -0.463 -0.352 -0.000) 0.581 24.774 ( 2.151 0.295 0.000) 2.171 24.784 ( 0.637 0.231 -0.000) 0.678 24.969 ( 2.490 -0.318 0.000) 2.511 24.991 ( 2.048 -0.328 0.000) 2.074 25.424 ( 15.634 -2.171 0.000) 15.784 25.452 ( 12.980 -2.279 0.000) 13.179 25.623 ( 1.039 6.079 0.000) 6.167 25.741 ( 8.504 12.966 0.000) 15.506 25.984 ( -1.999 -12.660 0.000) 12.817 26.309 ( 6.559 -11.693 0.000) 13.407 26.522 ( -4.015 7.330 0.000) 8.357 26.748 ( 0.712 1.588 0.000) 1.740 27.045 ( -11.898 -0.254 0.000) 11.901 27.068 ( -10.762 -0.163 0.000) 10.763 29.336 ( -0.354 0.304 0.000) 0.467 29.339 ( -0.308 0.311 -0.000) 0.438 29.612 ( -7.670 -0.563 0.000) 7.690 29.616 ( -8.179 -0.575 -0.000) 8.199 30.281 ( 10.451 0.177 -0.000) 10.453 30.293 ( 9.173 0.767 0.000) 9.205 30.313 ( 11.076 -1.309 0.000) 11.153 30.336 ( 9.310 -0.724 -0.000) 9.338 35.383 ( -2.751 0.529 -0.000) 2.801 35.397 ( -2.787 1.081 0.000) 2.989 35.414 ( -3.414 -0.786 0.000) 3.503 35.425 ( -3.389 -0.232 0.000) 3.397 97.651 ( -1.047 -0.117 0.000) 1.053 97.669 ( -0.907 -0.206 -0.000) 0.930 97.694 ( -2.437 0.045 -0.000) 2.437 97.715 ( -2.388 -0.047 0.000) 2.388 100.155 ( 0.174 0.574 -0.000) 0.600 100.195 ( -0.355 0.604 0.000) 0.701 100.425 ( -3.143 0.064 0.000) 3.144 100.453 ( -3.378 0.100 0.000) 3.380 ======================= Grid point 193 (64/72) ======================= q-point: ( 0.30 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.977 ( 29.042 5.399 -0.000) 29.540 3.985 ( 30.101 5.605 0.000) 30.618 4.132 ( 28.993 7.546 0.000) 29.959 4.179 ( 31.458 11.063 -0.000) 33.347 4.550 ( 23.136 -14.757 0.000) 27.442 4.730 ( 16.476 -15.584 -0.000) 22.678 4.782 ( 18.484 -12.583 0.000) 22.360 4.834 ( 25.114 -14.108 0.000) 28.805 5.413 ( 16.955 15.236 0.000) 22.795 5.606 ( 8.158 11.235 0.000) 13.884 5.753 ( 4.229 14.034 0.000) 14.657 5.867 ( 3.166 10.886 0.000) 11.337 6.063 ( -1.884 -1.777 0.000) 2.590 6.153 ( 0.603 7.301 0.000) 7.326 6.180 ( -1.851 -0.130 0.000) 1.855 6.199 ( -8.125 -2.413 -0.000) 8.476 6.294 ( -7.340 2.335 0.000) 7.702 6.301 ( -4.163 -0.460 -0.000) 4.188 6.384 ( -8.810 -7.936 0.000) 11.857 6.467 ( -6.318 -1.189 0.000) 6.429 6.692 ( -0.737 4.609 -0.003) 4.667 6.692 ( -10.467 -3.493 0.003) 11.034 6.747 ( 3.735 -4.953 -0.000) 6.204 6.794 ( 0.607 2.861 0.000) 2.925 6.920 ( 4.002 -1.518 0.000) 4.280 6.981 ( 0.495 -3.276 -0.000) 3.313 7.068 ( -7.293 -11.113 -0.000) 13.292 7.076 ( -0.946 -8.949 0.000) 8.999 7.172 ( 3.736 -1.761 0.000) 4.130 7.178 ( -11.126 4.831 -0.000) 12.130 7.299 ( 0.529 0.328 0.000) 0.622 7.394 ( -9.621 3.283 0.000) 10.166 7.425 ( -2.539 1.341 -0.000) 2.872 7.464 ( 2.601 3.057 0.000) 4.014 7.486 ( -1.906 3.054 -0.000) 3.599 7.523 ( 0.861 2.826 -0.000) 2.954 7.621 ( -7.779 -8.696 0.000) 11.667 7.710 ( -9.564 -5.911 0.000) 11.243 7.740 ( 0.023 2.267 -0.000) 2.267 7.856 ( 2.504 -6.443 0.000) 6.913 7.917 ( 0.386 -0.204 0.000) 0.437 7.927 ( 11.840 -14.188 -0.000) 18.479 8.093 ( 9.319 -7.749 0.000) 12.120 8.097 ( 6.685 -3.070 -0.000) 7.356 8.372 ( -5.904 2.709 -0.000) 6.496 8.373 ( -9.892 2.214 0.000) 10.136 8.534 ( 1.524 2.057 0.000) 2.560 8.552 ( 8.639 7.036 -0.000) 11.141 8.644 ( -5.858 2.158 -0.000) 6.243 8.654 ( -6.259 9.064 0.000) 11.015 8.793 ( -1.372 -0.758 0.000) 1.568 8.897 ( -6.430 5.762 -0.000) 8.634 8.905 ( -6.350 1.767 0.000) 6.591 8.958 ( -0.208 2.670 0.000) 2.678 9.123 ( 0.978 -6.362 0.000) 6.437 9.217 ( -0.290 11.042 0.000) 11.046 9.258 ( -12.236 4.695 0.000) 13.106 9.359 ( -0.090 -1.817 0.000) 1.819 9.398 ( -9.237 0.321 0.000) 9.242 9.421 ( -0.955 5.361 0.000) 5.446 9.565 ( -4.982 -5.054 0.000) 7.097 9.579 ( 0.543 -3.851 -0.000) 3.889 9.683 ( 3.985 0.017 0.000) 3.985 9.699 ( 0.933 2.249 -0.000) 2.435 9.817 ( -3.079 4.010 0.000) 5.055 9.826 ( -4.531 2.881 -0.000) 5.370 9.914 ( -1.965 0.348 0.000) 1.996 9.925 ( -1.840 1.760 0.000) 2.546 9.994 ( 0.388 5.006 0.000) 5.021 10.108 ( 0.146 0.210 0.000) 0.256 10.203 ( -5.819 -0.047 0.000) 5.819 10.246 ( 2.359 2.780 0.000) 3.646 10.338 ( -5.529 2.786 0.000) 6.192 10.378 ( 3.178 2.111 0.000) 3.815 10.451 ( -2.789 -2.189 0.000) 3.546 10.451 ( -1.123 -3.328 -0.000) 3.512 10.494 ( 0.160 -11.644 0.000) 11.645 10.562 ( -4.754 -6.892 -0.000) 8.373 10.681 ( -8.250 2.437 0.000) 8.602 10.735 ( -1.183 -3.854 -0.000) 4.031 10.799 ( -3.836 0.878 0.000) 3.935 10.901 ( -3.339 -3.308 0.000) 4.700 10.943 ( -2.417 1.159 0.000) 2.681 11.059 ( -1.043 4.844 0.000) 4.955 11.137 ( 2.002 -0.317 0.000) 2.027 11.242 ( 3.799 1.622 0.000) 4.131 11.323 ( 3.905 -3.001 0.000) 4.925 11.436 ( 1.696 -0.794 0.000) 1.873 11.556 ( 3.806 -3.206 0.000) 4.976 11.604 ( 2.648 -6.896 0.000) 7.387 11.792 ( -6.571 -2.903 0.000) 7.184 11.871 ( -4.699 -4.204 0.000) 6.305 11.946 ( -3.347 0.826 0.000) 3.448 12.024 ( -5.810 0.818 0.000) 5.867 12.083 ( -3.806 0.433 0.000) 3.831 12.117 ( 4.424 0.990 0.000) 4.534 12.263 ( -2.303 -1.900 0.000) 2.985 12.308 ( 5.839 -3.228 0.000) 6.672 12.518 ( 3.258 2.810 0.000) 4.303 12.580 ( -7.198 1.002 0.000) 7.267 12.604 ( 2.100 -2.332 0.000) 3.138 12.606 ( -1.619 6.064 0.000) 6.276 12.675 ( -5.337 0.109 0.000) 5.339 12.737 ( -2.742 0.484 0.000) 2.784 12.930 ( -4.787 2.898 -0.000) 5.596 12.979 ( -1.799 3.632 0.000) 4.053 13.048 ( -3.766 2.613 -0.000) 4.584 13.062 ( -6.034 1.406 0.000) 6.196 13.098 ( -4.233 -3.174 0.000) 5.291 13.222 ( -3.628 2.506 0.000) 4.410 13.286 ( -0.175 -2.033 0.000) 2.041 13.400 ( 2.289 -6.456 0.000) 6.850 13.428 ( 2.227 -6.591 0.000) 6.957 13.495 ( 1.926 -4.395 -0.000) 4.798 13.721 ( 3.738 5.359 -0.000) 6.534 13.745 ( -5.736 -1.316 0.000) 5.885 13.828 ( -10.093 5.446 0.000) 11.468 13.858 ( 3.282 6.405 0.000) 7.197 13.939 ( 0.211 4.905 0.000) 4.910 14.032 ( -13.158 8.916 0.000) 15.895 14.151 ( 5.983 3.631 -0.000) 6.999 14.173 ( -10.144 1.869 0.000) 10.314 14.204 ( 12.404 -0.238 0.000) 12.407 14.247 ( 2.579 -5.480 0.000) 6.056 14.414 ( -1.317 1.040 0.000) 1.678 14.559 ( -7.568 -6.062 0.000) 9.696 14.628 ( 7.603 8.011 0.000) 11.044 14.639 ( -4.317 -3.650 -0.000) 5.653 14.710 ( -4.323 -8.014 0.000) 9.105 14.888 ( 1.788 -3.051 0.000) 3.536 15.190 ( 4.328 6.832 0.000) 8.088 15.399 ( 3.019 12.369 0.000) 12.732 15.655 ( -0.796 -10.701 0.000) 10.731 15.705 ( 2.205 -0.768 0.000) 2.335 15.716 ( 5.898 -1.335 0.000) 6.048 15.777 ( -3.067 -0.192 -0.000) 3.073 15.854 ( 0.214 -2.469 0.000) 2.479 15.953 ( -4.577 -6.998 0.000) 8.362 16.150 ( 4.756 -0.437 0.000) 4.776 16.155 ( 0.280 0.192 0.000) 0.340 16.385 ( -1.297 2.605 0.000) 2.910 16.488 ( 6.149 1.108 0.000) 6.248 16.618 ( 14.155 -2.224 0.000) 14.329 16.678 ( 11.282 -3.732 -0.000) 11.883 16.801 ( -4.095 0.525 0.000) 4.129 16.854 ( 0.125 1.536 0.000) 1.541 16.892 ( -2.265 -0.745 0.000) 2.385 16.897 ( -2.856 -2.456 -0.000) 3.767 17.210 ( -0.022 0.136 0.000) 0.138 17.248 ( 5.329 0.583 -0.000) 5.361 17.445 ( 2.716 4.206 0.000) 5.007 17.500 ( -4.090 6.142 0.000) 7.379 17.627 ( 1.349 0.476 0.000) 1.430 17.640 ( 1.787 -1.282 0.000) 2.199 17.675 ( 3.570 2.287 -0.000) 4.240 17.708 ( 2.072 1.391 0.000) 2.495 17.951 ( 1.984 -5.521 0.000) 5.867 17.954 ( -1.676 -2.645 -0.000) 3.131 17.998 ( -2.375 0.511 0.000) 2.429 18.023 ( -2.025 -0.693 0.000) 2.141 18.213 ( 3.744 -0.508 0.000) 3.778 18.283 ( 7.379 -1.156 0.000) 7.469 19.213 ( 4.086 -0.161 0.000) 4.089 19.273 ( 3.790 -0.290 0.000) 3.801 19.871 ( -1.283 -0.489 0.000) 1.373 19.876 ( -1.091 -0.478 0.000) 1.192 20.255 ( 4.085 1.716 0.000) 4.431 20.328 ( 3.848 1.803 0.000) 4.249 20.521 ( -14.164 0.472 0.000) 14.172 20.572 ( -13.086 0.638 -0.000) 13.102 23.512 ( -2.582 0.158 0.000) 2.587 23.515 ( -2.684 0.163 -0.000) 2.689 23.671 ( -5.762 -0.009 0.000) 5.762 23.674 ( -5.822 -0.004 0.000) 5.822 24.738 ( -0.130 0.175 0.000) 0.218 24.746 ( -0.289 0.219 -0.000) 0.362 24.808 ( 1.790 -0.061 0.000) 1.791 24.819 ( 2.172 -0.013 -0.000) 2.172 25.001 ( 0.812 -0.679 -0.000) 1.058 25.009 ( 0.008 -0.703 0.000) 0.703 25.589 ( 3.587 -0.062 0.000) 3.587 25.598 ( 2.673 -0.380 0.000) 2.700 25.680 ( 4.819 1.078 0.000) 4.938 25.839 ( -0.651 1.125 0.000) 1.300 26.055 ( 8.295 0.428 0.000) 8.306 26.412 ( -2.498 12.078 0.000) 12.334 26.481 ( 5.131 -13.804 0.000) 14.727 26.739 ( -3.022 -4.498 -0.000) 5.419 26.838 ( -6.705 2.958 0.000) 7.328 26.872 ( -8.220 0.998 0.000) 8.281 29.333 ( 0.034 0.138 0.000) 0.142 29.336 ( -0.005 0.145 -0.000) 0.145 29.483 ( -5.354 -0.206 0.000) 5.358 29.484 ( -5.223 -0.198 -0.000) 5.227 30.467 ( 8.148 0.647 -0.000) 8.174 30.474 ( 8.539 0.817 0.000) 8.578 30.519 ( 8.929 -1.056 0.000) 8.991 30.521 ( 9.557 -0.885 -0.000) 9.597 35.329 ( -2.618 0.244 -0.000) 2.629 35.339 ( -2.922 0.588 0.000) 2.981 35.349 ( -3.030 -0.465 0.000) 3.065 35.358 ( -3.274 -0.121 0.000) 3.276 97.633 ( -0.718 0.048 0.000) 0.720 97.651 ( -1.060 0.610 -0.000) 1.224 97.655 ( -1.348 -0.632 -0.000) 1.489 97.674 ( -1.763 -0.070 0.000) 1.764 100.164 ( 0.755 -0.141 -0.000) 0.768 100.190 ( -0.034 -0.217 0.000) 0.219 100.360 ( -3.445 0.450 0.000) 3.474 100.379 ( -3.964 0.374 0.000) 3.982 ======================= Grid point 195 (65/72) ======================= q-point: ( 0.40 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.544 ( 25.318 0.244 0.000) 25.319 4.549 ( 26.987 -0.330 -0.000) 26.989 4.729 ( 30.657 4.089 0.000) 30.928 4.758 ( 26.147 6.175 -0.000) 26.867 4.983 ( 18.811 -5.410 0.000) 19.573 5.015 ( 10.851 -4.441 -0.000) 11.724 5.147 ( 17.812 -0.250 0.000) 17.814 5.263 ( 16.242 -0.553 0.000) 16.252 5.669 ( 4.228 1.894 0.000) 4.633 5.690 ( 5.607 0.344 0.000) 5.618 5.757 ( -2.875 0.777 0.000) 2.978 5.762 ( -14.368 -1.206 0.000) 14.419 5.928 ( -9.946 7.365 0.000) 12.376 5.978 ( -11.378 1.556 -0.000) 11.483 6.034 ( -8.176 9.279 0.000) 12.367 6.122 ( 5.230 1.700 0.000) 5.499 6.191 ( -1.372 -4.289 0.000) 4.503 6.272 ( -8.854 -4.495 0.000) 9.930 6.312 ( -8.902 -4.316 0.000) 9.893 6.461 ( 12.075 4.990 0.000) 13.065 6.553 ( -5.714 -9.372 0.000) 10.976 6.611 ( -13.829 -3.456 0.000) 14.254 6.619 ( -0.499 -4.943 0.000) 4.969 6.643 ( -12.077 -1.862 -0.000) 12.220 6.731 ( -12.555 0.342 0.000) 12.559 6.812 ( -4.015 1.182 -0.000) 4.185 6.879 ( -10.313 1.042 0.000) 10.365 6.996 ( -9.279 1.616 0.000) 9.419 7.047 ( -14.146 -4.999 0.000) 15.003 7.180 ( -3.450 -6.949 0.000) 7.758 7.273 ( 2.076 -1.310 0.000) 2.454 7.309 ( -8.542 -3.688 0.000) 9.304 7.410 ( 3.288 4.515 -0.000) 5.586 7.445 ( -6.640 5.766 0.000) 8.794 7.506 ( 5.353 7.934 0.000) 9.571 7.585 ( 3.009 4.703 0.000) 5.583 7.692 ( 0.478 1.978 0.000) 2.035 7.782 ( 11.633 -3.704 -0.000) 12.209 7.857 ( 15.095 2.808 0.000) 15.354 7.945 ( 1.534 3.413 0.000) 3.742 7.958 ( 1.508 -7.426 0.000) 7.577 8.062 ( 13.987 5.462 0.000) 15.016 8.119 ( -4.592 -4.105 0.000) 6.159 8.329 ( -2.414 4.293 0.000) 4.925 8.362 ( 2.277 0.961 0.000) 2.471 8.430 ( 7.463 0.076 0.000) 7.464 8.452 ( 3.807 1.030 0.000) 3.944 8.474 ( -7.375 7.112 0.000) 10.246 8.562 ( 3.994 -9.678 -0.000) 10.469 8.676 ( -3.566 -5.068 0.000) 6.197 8.714 ( -4.421 -0.059 0.000) 4.421 8.802 ( 8.567 -10.109 0.000) 13.251 8.880 ( 1.035 -3.899 0.000) 4.034 9.016 ( -4.807 1.499 0.000) 5.035 9.028 ( -3.445 -6.599 -0.000) 7.445 9.085 ( -1.393 0.737 0.000) 1.575 9.261 ( 4.539 3.574 -0.000) 5.777 9.328 ( 0.001 8.335 0.000) 8.335 9.399 ( 1.355 2.450 -0.000) 2.800 9.419 ( -0.097 10.407 0.000) 10.408 9.524 ( 0.724 -2.412 0.000) 2.519 9.614 ( 0.201 -1.834 -0.000) 1.845 9.656 ( -4.678 -0.489 0.000) 4.703 9.707 ( -0.900 1.602 0.000) 1.837 9.731 ( -2.048 2.923 0.000) 3.569 9.772 ( -4.644 4.522 0.000) 6.482 9.813 ( -1.695 -0.001 0.000) 1.695 9.906 ( -2.915 4.138 -0.000) 5.062 10.081 ( 2.825 -2.662 0.000) 3.881 10.121 ( 1.269 -1.543 -0.000) 1.998 10.176 ( 3.970 -0.650 0.000) 4.022 10.278 ( 1.649 2.255 -0.000) 2.794 10.290 ( -0.172 -5.758 0.000) 5.761 10.358 ( -4.696 -3.637 -0.000) 5.940 10.411 ( -2.460 -0.081 0.000) 2.461 10.426 ( -2.641 -1.605 -0.000) 3.091 10.475 ( -5.710 -4.844 0.000) 7.487 10.488 ( -0.703 1.003 -0.000) 1.225 10.554 ( 1.859 0.854 0.000) 2.045 10.681 ( -5.642 -0.989 0.000) 5.728 10.772 ( 3.290 -1.495 0.000) 3.614 10.805 ( -5.103 1.878 0.000) 5.437 10.904 ( -3.049 6.399 0.000) 7.088 10.994 ( -5.277 7.359 0.000) 9.056 11.198 ( 3.085 -5.643 0.000) 6.431 11.267 ( -1.255 -2.855 0.000) 3.118 11.394 ( 1.798 -2.817 0.000) 3.342 11.439 ( -2.060 -4.457 0.000) 4.910 11.586 ( -5.028 -3.067 0.000) 5.889 11.606 ( -1.593 -3.218 -0.000) 3.591 11.703 ( -0.059 -2.179 0.000) 2.180 11.712 ( -6.648 -3.067 0.000) 7.322 11.909 ( -0.135 3.747 0.000) 3.749 11.952 ( -1.374 2.721 0.000) 3.048 11.996 ( -4.270 5.423 0.000) 6.902 12.061 ( -6.423 4.802 0.000) 8.020 12.333 ( -1.132 -6.483 0.000) 6.581 12.352 ( 7.251 -6.016 0.000) 9.422 12.398 ( -7.973 3.759 0.000) 8.815 12.478 ( -1.124 4.387 0.000) 4.529 12.588 ( 1.297 5.521 0.000) 5.671 12.626 ( -1.545 3.399 0.000) 3.734 12.744 ( -0.914 0.105 0.000) 0.920 12.746 ( 2.249 0.836 -0.000) 2.399 12.846 ( -0.043 -6.745 -0.000) 6.745 12.864 ( -4.235 -2.979 0.000) 5.178 12.925 ( -5.022 0.844 0.000) 5.092 12.996 ( -4.434 -6.501 -0.000) 7.869 13.047 ( 2.783 6.360 0.000) 6.942 13.184 ( -1.119 2.101 -0.000) 2.380 13.378 ( 6.686 -2.005 0.000) 6.980 13.447 ( -0.201 -4.213 0.000) 4.218 13.504 ( 6.132 -3.206 0.000) 6.920 13.537 ( 0.535 -2.237 -0.000) 2.300 13.616 ( -5.231 -1.918 0.000) 5.571 13.667 ( -5.123 1.511 0.000) 5.341 13.713 ( -5.488 2.202 0.000) 5.913 13.813 ( -8.552 3.919 0.000) 9.407 13.912 ( 0.802 6.172 -0.000) 6.224 13.920 ( -1.159 7.536 0.000) 7.624 14.106 ( 2.275 0.718 0.000) 2.385 14.190 ( -0.019 3.720 0.000) 3.720 14.319 ( 2.598 -4.024 0.000) 4.790 14.388 ( -2.893 -1.087 0.000) 3.090 14.401 ( 0.765 1.024 0.000) 1.278 14.487 ( 9.921 3.027 -0.000) 10.373 14.607 ( -5.943 -8.518 0.000) 10.386 14.651 ( 3.996 -4.921 -0.000) 6.339 14.774 ( 5.280 3.795 0.000) 6.503 14.889 ( -2.206 3.071 0.000) 3.782 15.263 ( 3.262 3.834 0.000) 5.033 15.381 ( -2.846 8.055 0.000) 8.543 15.649 ( 0.212 -10.517 0.000) 10.519 15.727 ( -2.673 -6.994 0.000) 7.487 15.787 ( 2.966 -0.297 0.000) 2.981 15.793 ( 0.301 0.729 0.000) 0.789 15.922 ( 3.846 -0.740 0.000) 3.917 15.929 ( 7.885 -0.709 0.000) 7.917 16.110 ( -3.711 1.440 0.000) 3.980 16.251 ( 4.727 1.311 0.000) 4.905 16.303 ( -5.547 -2.097 0.000) 5.931 16.505 ( -2.978 -1.744 0.000) 3.451 16.681 ( -3.510 0.151 -0.000) 3.513 16.748 ( -2.629 0.599 0.000) 2.697 16.849 ( -0.317 -0.649 0.000) 0.723 16.860 ( -0.656 -0.490 -0.000) 0.819 16.949 ( 8.341 1.079 0.000) 8.411 16.956 ( 9.979 0.848 -0.000) 10.014 17.234 ( 2.091 -4.356 0.000) 4.832 17.310 ( 0.059 -6.625 0.000) 6.625 17.453 ( 0.282 10.312 0.000) 10.316 17.480 ( 0.858 7.088 0.000) 7.140 17.658 ( 1.896 -0.040 0.000) 1.896 17.673 ( 1.451 -1.262 -0.000) 1.923 17.716 ( 0.827 3.763 -0.000) 3.852 17.728 ( 0.142 1.896 0.000) 1.901 17.908 ( -2.444 -1.003 0.000) 2.642 17.925 ( -3.159 -1.631 0.000) 3.555 17.983 ( 0.433 -0.169 0.000) 0.465 18.002 ( -0.481 -0.199 -0.000) 0.520 18.334 ( 7.277 -5.189 0.000) 8.937 18.412 ( 5.069 -5.219 0.000) 7.276 19.198 ( -3.327 2.015 0.000) 3.890 19.245 ( -4.597 1.719 0.000) 4.908 19.851 ( -0.586 -0.569 0.000) 0.816 19.857 ( -0.703 -0.542 0.000) 0.888 20.267 ( -4.064 2.165 0.000) 4.605 20.284 ( -6.728 2.383 0.000) 7.138 20.463 ( 5.002 -1.047 0.000) 5.110 20.477 ( 2.793 -0.817 -0.000) 2.910 23.467 ( -2.131 0.228 -0.000) 2.143 23.468 ( -2.207 0.231 0.000) 2.219 23.593 ( -2.067 -0.041 0.000) 2.067 23.594 ( -2.179 -0.038 0.000) 2.179 24.739 ( 0.110 0.391 0.000) 0.406 24.740 ( -0.206 0.424 -0.000) 0.471 24.844 ( 1.669 -0.610 0.000) 1.777 24.853 ( 1.223 -0.572 0.000) 1.350 25.001 ( -0.528 -0.404 -0.000) 0.665 25.004 ( -0.351 -0.390 0.000) 0.525 25.625 ( 0.937 0.395 0.000) 1.017 25.635 ( 1.220 0.377 0.000) 1.277 25.754 ( 2.640 0.081 0.000) 2.641 25.811 ( -1.284 -0.018 0.000) 1.285 26.170 ( 3.002 1.979 0.000) 3.596 26.308 ( -5.879 3.408 0.000) 6.795 26.580 ( 2.526 -4.813 0.000) 5.436 26.640 ( -4.065 -3.067 -0.000) 5.092 26.783 ( -0.695 1.137 0.000) 1.332 26.804 ( 0.196 0.928 0.000) 0.948 29.337 ( 0.333 0.058 0.000) 0.338 29.339 ( 0.246 0.062 -0.000) 0.253 29.406 ( -2.557 -0.053 0.000) 2.558 29.408 ( -2.628 -0.050 -0.000) 2.628 30.596 ( 4.756 0.334 -0.000) 4.767 30.603 ( 4.482 0.405 0.000) 4.500 30.664 ( 5.472 -0.499 0.000) 5.495 30.669 ( 5.312 -0.428 0.000) 5.329 35.286 ( -1.554 0.112 -0.000) 1.558 35.291 ( -1.819 0.190 0.000) 1.829 35.301 ( -1.769 -0.144 0.000) 1.775 35.305 ( -2.005 -0.067 0.000) 2.006 97.624 ( -0.298 0.176 0.000) 0.346 97.630 ( -0.754 0.415 0.000) 0.861 97.640 ( -0.422 -0.407 -0.000) 0.587 97.648 ( -0.911 -0.168 0.000) 0.927 100.184 ( 1.218 -0.343 -0.000) 1.265 100.196 ( 0.664 -0.428 0.000) 0.790 100.297 ( -2.768 0.496 0.000) 2.813 100.307 ( -3.189 0.411 0.000) 3.216 ======================= Grid point 197 (66/72) ======================= q-point: (-0.50 0.25 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 48 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.849 ( -1.158 -3.277 0.000) 3.476 4.849 ( 1.158 -3.277 0.000) 3.476 5.086 ( -4.982 1.861 0.000) 5.318 5.086 ( 4.982 1.861 0.000) 5.318 5.214 ( -7.480 4.269 0.000) 8.612 5.214 ( 7.480 4.269 0.000) 8.612 5.361 ( -1.235 5.703 0.000) 5.836 5.361 ( 1.235 5.703 0.000) 5.836 5.557 ( -11.175 -1.744 0.000) 11.310 5.557 ( 11.175 -1.744 0.000) 11.310 5.740 ( -9.129 1.276 0.000) 9.218 5.740 ( 9.129 1.276 0.000) 9.218 5.853 ( -4.979 1.474 0.000) 5.193 5.853 ( 4.979 1.474 0.000) 5.193 6.032 ( -19.963 -6.867 0.000) 21.111 6.032 ( 19.963 -6.867 0.000) 21.111 6.172 ( -1.134 -2.623 0.000) 2.858 6.172 ( 1.134 -2.623 0.000) 2.858 6.333 ( -10.318 0.537 0.000) 10.332 6.333 ( 10.318 0.537 0.000) 10.332 6.480 ( -7.027 -1.089 0.000) 7.111 6.480 ( 7.027 -1.089 0.000) 7.111 6.611 ( -11.395 -4.298 0.000) 12.179 6.611 ( 11.395 -4.298 0.000) 12.179 6.708 ( -5.056 -9.631 0.000) 10.878 6.708 ( 5.056 -9.631 0.000) 10.878 6.856 ( -0.279 4.598 -0.000) 4.606 6.856 ( 0.279 4.598 0.000) 4.606 6.984 ( -8.257 2.777 0.000) 8.712 6.984 ( 8.257 2.777 0.000) 8.712 7.232 ( -6.716 7.468 0.000) 10.044 7.232 ( 6.716 7.468 0.000) 10.044 7.481 ( -7.362 -2.657 0.000) 7.827 7.481 ( 7.362 -2.657 -0.000) 7.827 7.527 ( -5.110 -0.989 -0.000) 5.205 7.527 ( 5.110 -0.989 0.000) 5.205 7.773 ( -5.957 10.721 0.000) 12.264 7.773 ( 5.957 10.721 0.000) 12.264 7.935 ( -3.215 -9.731 0.000) 10.248 7.935 ( 3.215 -9.731 0.000) 10.248 8.110 ( -3.568 1.743 0.000) 3.971 8.110 ( 3.568 1.743 0.000) 3.971 8.238 ( -2.034 4.986 -0.000) 5.385 8.238 ( 2.034 4.986 0.000) 5.385 8.410 ( -1.504 1.534 -0.000) 2.149 8.410 ( 1.505 1.534 0.000) 2.149 8.478 ( -3.099 3.936 0.000) 5.009 8.478 ( 3.099 3.936 0.000) 5.009 8.591 ( -4.751 1.008 0.000) 4.857 8.591 ( 4.751 1.008 0.000) 4.857 8.863 ( -5.284 -8.207 0.000) 9.761 8.863 ( 5.284 -8.207 -0.000) 9.761 8.977 ( -3.185 -8.766 -0.000) 9.327 8.977 ( 3.185 -8.766 0.000) 9.327 9.027 ( -3.155 -3.965 -0.000) 5.067 9.027 ( 3.155 -3.965 0.000) 5.067 9.321 ( -4.312 2.765 0.000) 5.123 9.321 ( 4.312 2.765 0.000) 5.123 9.362 ( -3.911 7.076 -0.000) 8.085 9.362 ( 3.911 7.076 -0.000) 8.085 9.607 ( -0.882 3.369 0.000) 3.483 9.607 ( 0.882 3.369 0.000) 3.483 9.631 ( -4.069 -0.666 0.000) 4.123 9.631 ( 4.069 -0.666 0.000) 4.123 9.749 ( -0.802 3.738 0.000) 3.823 9.749 ( 0.802 3.738 0.000) 3.823 9.802 ( -3.546 0.008 0.000) 3.546 9.802 ( 3.546 0.008 0.000) 3.546 10.122 ( -2.002 -5.663 -0.000) 6.007 10.122 ( 2.002 -5.663 0.000) 6.007 10.261 ( -2.869 -3.142 0.000) 4.255 10.261 ( 2.869 -3.142 0.000) 4.255 10.324 ( -0.790 -2.732 -0.000) 2.844 10.324 ( 0.790 -2.732 -0.000) 2.844 10.361 ( -0.405 -1.785 0.000) 1.831 10.361 ( 0.405 -1.785 0.000) 1.831 10.439 ( -2.953 -2.042 0.000) 3.590 10.439 ( 2.953 -2.042 -0.000) 3.590 10.628 ( -1.758 5.005 0.000) 5.304 10.628 ( 1.758 5.005 0.000) 5.304 10.791 ( -4.978 7.551 0.000) 9.044 10.791 ( 4.978 7.551 0.000) 9.044 10.877 ( -5.791 2.411 0.000) 6.272 10.877 ( 5.791 2.411 0.000) 6.272 11.229 ( -0.996 -5.866 0.000) 5.950 11.229 ( 0.996 -5.866 0.000) 5.950 11.387 ( -0.619 -5.093 0.000) 5.131 11.387 ( 0.619 -5.093 0.000) 5.131 11.550 ( -0.504 0.527 0.000) 0.729 11.550 ( 0.504 0.527 0.000) 0.729 11.701 ( -0.820 -1.690 0.000) 1.879 11.701 ( 0.820 -1.690 0.000) 1.879 11.926 ( -1.595 4.100 0.000) 4.399 11.926 ( 1.595 4.100 0.000) 4.399 11.970 ( -2.165 4.833 0.000) 5.296 11.970 ( 2.165 4.833 -0.000) 5.296 12.315 ( -0.194 -1.504 0.000) 1.516 12.315 ( 0.194 -1.504 0.000) 1.516 12.470 ( -2.162 -1.570 0.000) 2.671 12.470 ( 2.162 -1.570 0.000) 2.671 12.593 ( -0.357 2.874 0.000) 2.896 12.593 ( 0.358 2.874 0.000) 2.896 12.719 ( -1.678 2.335 0.000) 2.875 12.719 ( 1.678 2.335 0.000) 2.875 12.843 ( -1.121 -1.479 0.000) 1.856 12.843 ( 1.121 -1.479 0.000) 1.856 12.930 ( -3.133 -7.043 0.000) 7.708 12.930 ( 3.133 -7.043 0.000) 7.708 13.142 ( -4.498 1.478 -0.000) 4.734 13.142 ( 4.498 1.478 0.000) 4.734 13.458 ( -2.950 -0.067 0.000) 2.951 13.458 ( 2.950 -0.067 0.000) 2.951 13.524 ( -6.575 2.350 0.000) 6.982 13.524 ( 6.575 2.350 0.000) 6.982 13.613 ( -0.735 -3.182 0.000) 3.266 13.613 ( 0.735 -3.182 0.000) 3.266 13.672 ( -4.704 -1.489 0.000) 4.934 13.672 ( 4.704 -1.489 0.000) 4.934 13.913 ( -0.281 6.390 0.000) 6.397 13.913 ( 0.281 6.390 0.000) 6.397 14.168 ( -2.696 0.860 0.000) 2.830 14.168 ( 2.696 0.860 0.000) 2.830 14.329 ( -1.337 1.302 0.000) 1.866 14.329 ( 1.337 1.302 0.000) 1.866 14.488 ( -5.925 -5.868 0.000) 8.339 14.488 ( 5.925 -5.868 0.000) 8.339 14.668 ( -4.936 3.436 -0.000) 6.014 14.668 ( 4.936 3.436 0.000) 6.014 14.834 ( -2.036 1.618 0.000) 2.600 14.834 ( 2.036 1.618 0.000) 2.600 15.323 ( -2.968 4.360 0.000) 5.274 15.323 ( 2.968 4.360 0.000) 5.274 15.669 ( -2.273 -9.966 0.000) 10.222 15.669 ( 2.273 -9.966 0.000) 10.222 15.801 ( -0.716 -1.399 0.000) 1.572 15.801 ( 0.716 -1.399 0.000) 1.572 16.024 ( -5.014 2.589 0.000) 5.643 16.024 ( 5.014 2.589 0.000) 5.643 16.119 ( -10.076 4.126 0.000) 10.888 16.119 ( 10.076 4.126 0.000) 10.888 16.399 ( -7.165 -6.288 0.000) 9.533 16.399 ( 7.165 -6.288 0.000) 9.533 16.673 ( -2.768 2.928 0.000) 4.029 16.673 ( 2.768 2.928 0.000) 4.029 16.851 ( -0.255 -0.140 0.000) 0.291 16.851 ( 0.255 -0.140 0.000) 0.291 17.051 ( -0.700 0.543 0.000) 0.886 17.051 ( 0.700 0.543 0.000) 0.886 17.277 ( -2.191 -6.855 0.000) 7.197 17.277 ( 2.191 -6.855 0.000) 7.197 17.480 ( -1.002 8.734 0.000) 8.791 17.480 ( 1.002 8.734 0.000) 8.791 17.687 ( -0.446 -0.329 0.000) 0.554 17.687 ( 0.447 -0.329 0.000) 0.554 17.723 ( -0.314 2.791 0.000) 2.808 17.723 ( 0.314 2.791 0.000) 2.808 17.883 ( -0.439 -0.615 0.000) 0.756 17.883 ( 0.439 -0.615 0.000) 0.756 17.993 ( -0.497 0.116 0.000) 0.510 17.993 ( 0.497 0.116 0.000) 0.510 18.443 ( -2.553 -7.032 0.000) 7.481 18.443 ( 2.553 -7.032 0.000) 7.481 19.169 ( -1.597 3.308 0.000) 3.673 19.169 ( 1.597 3.308 0.000) 3.673 19.848 ( -0.211 -0.754 0.000) 0.783 19.848 ( 0.211 -0.754 0.000) 0.783 20.215 ( -0.100 1.178 0.000) 1.182 20.215 ( 0.100 1.178 0.000) 1.182 20.520 ( -0.098 -0.154 0.000) 0.183 20.520 ( 0.098 -0.154 0.000) 0.183 23.443 ( -0.003 0.233 0.000) 0.233 23.443 ( 0.003 0.233 0.000) 0.233 23.576 ( -0.027 -0.035 0.000) 0.044 23.576 ( 0.027 -0.035 0.000) 0.044 24.739 ( -0.065 0.262 0.000) 0.269 24.739 ( 0.065 0.262 0.000) 0.269 24.864 ( -0.206 -0.682 0.000) 0.713 24.864 ( 0.206 -0.682 0.000) 0.713 24.997 ( -0.144 -0.144 0.000) 0.204 24.997 ( 0.144 -0.144 0.000) 0.204 25.640 ( -0.466 -0.120 0.000) 0.481 25.640 ( 0.466 -0.120 0.000) 0.481 25.790 ( -1.201 1.441 0.000) 1.876 25.790 ( 1.201 1.441 0.000) 1.876 26.216 ( -3.110 0.057 0.000) 3.110 26.216 ( 3.110 0.057 0.000) 3.110 26.599 ( -0.684 -0.634 0.000) 0.933 26.599 ( 0.684 -0.634 0.000) 0.933 26.799 ( -0.966 -0.498 0.000) 1.087 26.799 ( 0.966 -0.498 0.000) 1.087 29.342 ( -0.056 0.062 0.000) 0.084 29.342 ( 0.056 0.062 0.000) 0.084 29.381 ( -0.070 -0.039 0.000) 0.080 29.381 ( 0.070 -0.039 0.000) 0.080 30.645 ( -0.182 0.223 0.000) 0.288 30.645 ( 0.182 0.223 0.000) 0.288 30.721 ( -0.141 -0.280 0.000) 0.313 30.721 ( 0.141 -0.280 0.000) 0.313 35.272 ( -0.106 0.091 0.000) 0.140 35.272 ( 0.106 0.091 0.000) 0.140 35.284 ( -0.098 -0.065 0.000) 0.117 35.284 ( 0.098 -0.065 0.000) 0.117 97.622 ( -0.145 0.256 0.000) 0.294 97.622 ( 0.145 0.256 0.000) 0.294 97.637 ( -0.155 -0.246 0.000) 0.290 97.637 ( 0.155 -0.246 0.000) 0.290 100.204 ( -0.398 -0.476 0.000) 0.621 100.204 ( 0.398 -0.476 0.000) 0.621 100.267 ( -0.357 0.507 0.000) 0.620 100.267 ( 0.357 0.507 0.000) 0.620 ======================= Grid point 209 (67/72) ======================= q-point: ( 0.00 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.126 ( 0.000 0.000 -0.000) 0.000 3.126 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.373 ( 0.000 0.000 0.000) 0.000 3.527 ( 0.000 -0.000 -0.000) 0.000 3.527 ( 0.000 -0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 3.825 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.290 ( 0.000 0.000 0.000) 0.000 5.539 ( 0.000 -0.000 -0.000) 0.000 5.539 ( 0.000 0.000 -0.000) 0.000 5.570 ( 0.000 -0.000 0.000) 0.000 5.570 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 0.000) 0.000 5.722 ( 0.000 0.000 -0.000) 0.000 5.849 ( 0.000 0.000 -0.000) 0.000 5.849 ( 0.000 -0.000 0.000) 0.000 6.219 ( 0.000 -0.000 0.000) 0.000 6.219 ( 0.000 0.000 0.000) 0.000 6.660 ( 0.000 -0.000 0.000) 0.000 6.660 ( 0.000 -0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.755 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 6.953 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.025 ( 0.000 0.000 0.000) 0.000 7.394 ( 0.000 0.000 -0.000) 0.000 7.394 ( 0.000 0.000 -0.000) 0.000 7.405 ( 0.000 -0.000 0.000) 0.000 7.405 ( 0.000 -0.000 0.000) 0.000 7.755 ( 0.000 0.000 0.000) 0.000 7.755 ( 0.000 0.000 -0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.903 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 7.925 ( 0.000 0.000 0.000) 0.000 8.087 ( 0.000 0.000 -0.000) 0.000 8.087 ( 0.000 0.000 -0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.242 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.377 ( 0.000 0.000 0.000) 0.000 8.529 ( 0.000 0.000 -0.000) 0.000 8.529 ( 0.000 0.000 -0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.595 ( 0.000 0.000 0.000) 0.000 8.729 ( 0.000 -0.000 0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 8.850 ( 0.000 0.000 0.000) 0.000 9.112 ( 0.000 0.000 -0.000) 0.000 9.112 ( 0.000 0.000 0.000) 0.000 9.172 ( 0.000 -0.000 -0.000) 0.000 9.172 ( 0.000 -0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.394 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.520 ( 0.000 0.000 0.000) 0.000 9.552 ( 0.000 -0.000 -0.000) 0.000 9.552 ( 0.000 -0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 9.709 ( 0.000 0.000 0.000) 0.000 9.969 ( 0.000 -0.000 0.000) 0.000 9.969 ( 0.000 -0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.104 ( 0.000 0.000 0.000) 0.000 10.206 ( 0.000 0.000 -0.000) 0.000 10.206 ( 0.000 0.000 0.000) 0.000 10.298 ( 0.000 0.000 -0.000) 0.000 10.298 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 0.000 0.000) 0.000 10.588 ( 0.000 -0.000 0.000) 0.000 10.614 ( 0.000 0.000 -0.000) 0.000 10.614 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 10.707 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.802 ( 0.000 0.000 0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 10.900 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.055 ( 0.000 0.000 0.000) 0.000 11.267 ( 0.000 0.000 -0.000) 0.000 11.267 ( 0.000 0.000 -0.000) 0.000 11.278 ( 0.000 0.000 0.000) 0.000 11.278 ( 0.000 -0.000 0.000) 0.000 11.517 ( 0.000 -0.000 0.000) 0.000 11.517 ( 0.000 0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 11.684 ( 0.000 0.000 0.000) 0.000 11.956 ( 0.000 -0.000 -0.000) 0.000 11.956 ( 0.000 0.000 -0.000) 0.000 11.982 ( 0.000 -0.000 0.000) 0.000 11.982 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.233 ( 0.000 0.000 0.000) 0.000 12.379 ( 0.000 0.000 -0.000) 0.000 12.379 ( 0.000 0.000 0.000) 0.000 12.507 ( 0.000 -0.000 -0.000) 0.000 12.507 ( 0.000 0.000 0.000) 0.000 12.913 ( 0.000 0.000 -0.000) 0.000 12.913 ( 0.000 0.000 0.000) 0.000 12.950 ( 0.000 -0.000 -0.000) 0.000 12.950 ( 0.000 -0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.054 ( 0.000 0.000 0.000) 0.000 13.215 ( 0.000 0.000 0.000) 0.000 13.215 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.472 ( 0.000 0.000 0.000) 0.000 13.650 ( 0.000 -0.000 -0.000) 0.000 13.650 ( 0.000 -0.000 0.000) 0.000 13.677 ( 0.000 0.000 -0.000) 0.000 13.677 ( 0.000 0.000 0.000) 0.000 13.784 ( 0.000 -0.000 0.000) 0.000 13.784 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 13.988 ( 0.000 0.000 0.000) 0.000 14.280 ( 0.000 0.000 0.000) 0.000 14.280 ( 0.000 0.000 0.000) 0.000 14.546 ( 0.000 0.000 0.000) 0.000 14.546 ( 0.000 0.000 0.000) 0.000 14.773 ( 0.000 0.000 0.000) 0.000 14.773 ( 0.000 -0.000 0.000) 0.000 14.840 ( 0.000 -0.000 0.000) 0.000 14.840 ( 0.000 0.000 0.000) 0.000 14.937 ( 0.000 0.000 0.000) 0.000 14.937 ( 0.000 0.000 -0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.094 ( 0.000 0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 15.333 ( 0.000 0.000 0.000) 0.000 15.607 ( 0.000 0.000 0.000) 0.000 15.607 ( 0.000 0.000 0.000) 0.000 16.056 ( 0.000 -0.000 0.000) 0.000 16.056 ( 0.000 0.000 0.000) 0.000 16.172 ( 0.000 0.000 0.000) 0.000 16.172 ( 0.000 0.000 0.000) 0.000 16.293 ( 0.000 0.000 0.000) 0.000 16.293 ( 0.000 0.000 0.000) 0.000 16.583 ( 0.000 -0.000 0.000) 0.000 16.583 ( 0.000 -0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 16.851 ( 0.000 0.000 0.000) 0.000 17.051 ( 0.000 0.000 0.000) 0.000 17.051 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.145 ( 0.000 0.000 0.000) 0.000 17.291 ( 0.000 0.000 -0.000) 0.000 17.291 ( 0.000 0.000 0.000) 0.000 17.348 ( 0.000 -0.000 0.000) 0.000 17.348 ( 0.000 -0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 17.597 ( 0.000 0.000 0.000) 0.000 18.032 ( 0.000 0.000 -0.000) 0.000 18.032 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 -0.000 -0.000) 0.000 18.054 ( 0.000 -0.000 0.000) 0.000 18.215 ( 0.000 0.000 -0.000) 0.000 18.215 ( 0.000 0.000 0.000) 0.000 18.312 ( 0.000 0.000 -0.000) 0.000 18.312 ( 0.000 0.000 0.000) 0.000 19.899 ( 0.000 0.000 0.000) 0.000 19.899 ( 0.000 0.000 0.000) 0.000 20.304 ( 0.000 0.000 0.000) 0.000 20.304 ( 0.000 0.000 0.000) 0.000 21.714 ( 0.000 0.000 0.000) 0.000 21.714 ( 0.000 0.000 0.000) 0.000 23.748 ( 0.000 0.000 0.000) 0.000 23.748 ( 0.000 0.000 0.000) 0.000 23.909 ( 0.000 0.000 0.000) 0.000 23.909 ( 0.000 0.000 0.000) 0.000 24.678 ( 0.000 0.000 0.000) 0.000 24.678 ( 0.000 0.000 0.000) 0.000 24.739 ( 0.000 -0.000 -0.000) 0.000 24.739 ( 0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 0.000) 0.000 24.836 ( 0.000 0.000 0.000) 0.000 24.954 ( 0.000 0.000 0.000) 0.000 24.954 ( 0.000 -0.000 0.000) 0.000 25.819 ( 0.000 -0.000 0.000) 0.000 25.819 ( 0.000 -0.000 0.000) 0.000 25.840 ( 0.000 0.000 0.000) 0.000 25.840 ( 0.000 0.000 -0.000) 0.000 26.740 ( 0.000 0.000 0.000) 0.000 26.740 ( 0.000 0.000 0.000) 0.000 27.322 ( 0.000 0.000 0.000) 0.000 27.322 ( 0.000 0.000 0.000) 0.000 29.358 ( 0.000 0.000 0.000) 0.000 29.358 ( 0.000 0.000 0.000) 0.000 29.850 ( 0.000 0.000 0.000) 0.000 29.850 ( 0.000 0.000 0.000) 0.000 30.014 ( 0.000 0.000 0.000) 0.000 30.014 ( 0.000 0.000 0.000) 0.000 30.070 ( 0.000 0.000 0.000) 0.000 30.070 ( 0.000 0.000 -0.000) 0.000 35.470 ( 0.000 -0.000 0.000) 0.000 35.470 ( 0.000 0.000 0.000) 0.000 35.491 ( 0.000 -0.000 0.000) 0.000 35.491 ( 0.000 0.000 0.000) 0.000 97.683 ( 0.000 0.000 0.000) 0.000 97.683 ( 0.000 0.000 0.000) 0.000 97.768 ( 0.000 0.000 0.000) 0.000 97.768 ( 0.000 0.000 0.000) 0.000 100.214 ( 0.000 0.000 0.000) 0.000 100.214 ( 0.000 0.000 0.000) 0.000 100.495 ( 0.000 0.000 0.000) 0.000 100.495 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 213 (68/72) ======================= q-point: ( 0.10 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.319 ( 17.101 -3.875 0.000) 17.534 3.319 ( 17.101 3.875 0.000) 17.534 3.444 ( 10.245 -11.852 0.000) 15.666 3.444 ( 10.245 11.852 0.000) 15.666 3.612 ( 7.872 -16.215 -0.000) 18.025 3.612 ( 7.872 16.215 -0.000) 18.025 3.885 ( 7.810 -6.058 0.000) 9.884 3.885 ( 7.810 6.058 0.000) 9.884 5.453 ( 9.561 -6.143 0.000) 11.364 5.453 ( 9.561 6.143 0.000) 11.364 5.533 ( 5.102 -7.537 -0.000) 9.101 5.533 ( 5.102 7.537 0.000) 9.101 5.723 ( 14.784 -19.425 -0.000) 24.411 5.723 ( 14.784 19.425 0.000) 24.411 5.904 ( 15.323 -7.034 0.000) 16.860 5.904 ( 15.323 7.034 0.000) 16.860 5.977 ( 13.415 -7.115 0.000) 15.185 5.977 ( 13.415 7.115 -0.000) 15.185 6.293 ( 6.849 -2.310 0.000) 7.228 6.293 ( 6.849 2.310 0.000) 7.228 6.593 ( -5.070 -2.023 0.000) 5.459 6.593 ( -5.070 2.023 0.000) 5.459 6.733 ( -2.504 -0.462 0.000) 2.546 6.733 ( -2.504 0.462 0.000) 2.546 6.969 ( 0.354 -1.107 0.000) 1.162 6.969 ( 0.354 1.107 0.000) 1.162 7.052 ( 0.806 -3.437 0.000) 3.530 7.052 ( 0.806 3.437 0.000) 3.530 7.313 ( -7.316 -0.230 0.000) 7.319 7.313 ( -7.316 0.230 0.000) 7.319 7.447 ( 3.965 -1.831 0.000) 4.368 7.447 ( 3.965 1.831 0.000) 4.368 7.644 ( -6.664 -0.484 0.000) 6.682 7.644 ( -6.664 0.484 0.000) 6.682 7.807 ( -11.470 -3.305 -0.000) 11.937 7.807 ( -11.470 3.305 0.000) 11.937 7.979 ( -14.056 -2.088 0.000) 14.211 7.979 ( -14.056 2.088 -0.000) 14.211 8.020 ( -2.473 -9.735 0.000) 10.044 8.020 ( -2.473 9.735 -0.000) 10.044 8.066 ( -1.787 -2.090 0.000) 2.750 8.066 ( -1.787 2.090 -0.000) 2.750 8.203 ( -8.262 -0.415 0.000) 8.272 8.203 ( -8.262 0.415 0.000) 8.272 8.391 ( -10.289 -1.756 0.000) 10.437 8.391 ( -10.289 1.756 -0.000) 10.437 8.621 ( 3.598 -4.869 0.000) 6.054 8.621 ( 3.598 4.869 0.000) 6.054 8.869 ( 4.878 -0.270 0.000) 4.886 8.869 ( 4.878 0.270 0.000) 4.886 8.998 ( 0.648 -7.105 0.000) 7.134 8.998 ( 0.648 7.105 0.000) 7.134 9.121 ( -1.914 -8.521 0.000) 8.733 9.121 ( -1.914 8.521 -0.000) 8.733 9.169 ( 10.425 -0.471 0.000) 10.436 9.169 ( 10.425 0.471 0.000) 10.436 9.361 ( -12.752 -0.444 0.000) 12.760 9.361 ( -12.752 0.444 0.000) 12.760 9.462 ( 5.970 -4.135 0.000) 7.262 9.462 ( 5.970 4.135 0.000) 7.262 9.556 ( 2.626 -4.996 0.000) 5.645 9.556 ( 2.626 4.996 0.000) 5.645 9.757 ( 1.095 -1.237 0.000) 1.652 9.757 ( 1.095 1.237 0.000) 1.652 10.014 ( 0.789 -3.134 0.000) 3.231 10.014 ( 0.789 3.134 0.000) 3.231 10.111 ( -1.446 -2.319 0.000) 2.733 10.111 ( -1.446 2.319 -0.000) 2.733 10.172 ( -2.705 -3.468 0.000) 4.398 10.172 ( -2.705 3.468 0.000) 4.398 10.277 ( -3.053 -0.259 0.000) 3.064 10.277 ( -3.053 0.259 0.000) 3.064 10.408 ( -11.963 -0.779 0.000) 11.988 10.408 ( -11.963 0.779 0.000) 11.988 10.563 ( -8.886 -1.965 0.000) 9.100 10.563 ( -8.886 1.965 0.000) 9.100 10.650 ( -1.736 -1.479 -0.000) 2.281 10.650 ( -1.736 1.479 0.000) 2.281 10.782 ( -0.346 -0.352 0.000) 0.494 10.782 ( -0.346 0.352 0.000) 0.494 10.877 ( -4.953 -0.730 0.000) 5.007 10.877 ( -4.953 0.730 0.000) 5.007 11.018 ( 2.199 -0.337 0.000) 2.224 11.018 ( 2.199 0.337 0.000) 2.224 11.166 ( 1.935 -3.800 0.000) 4.265 11.166 ( 1.935 3.800 0.000) 4.265 11.328 ( 0.129 -4.472 -0.000) 4.474 11.328 ( 0.129 4.472 0.000) 4.474 11.520 ( -3.249 -5.954 0.000) 6.783 11.520 ( -3.249 5.954 0.000) 6.783 11.876 ( -1.401 -7.277 0.000) 7.411 11.876 ( -1.401 7.277 0.000) 7.411 11.971 ( 12.736 -1.356 -0.000) 12.808 11.971 ( 12.736 1.356 -0.000) 12.808 12.023 ( 0.701 -0.390 0.000) 0.802 12.023 ( 0.701 0.390 0.000) 0.802 12.208 ( -1.677 -1.774 0.000) 2.441 12.208 ( -1.677 1.774 0.000) 2.441 12.395 ( 3.130 -3.622 0.000) 4.787 12.395 ( 3.130 3.622 0.000) 4.787 12.594 ( 8.100 -7.206 0.000) 10.841 12.594 ( 8.100 7.206 0.000) 10.841 12.837 ( -2.409 -3.463 0.000) 4.219 12.837 ( -2.409 3.463 0.000) 4.219 12.999 ( -1.234 -2.707 0.000) 2.975 12.999 ( -1.234 2.707 0.000) 2.975 13.016 ( 0.041 -3.804 -0.000) 3.805 13.016 ( 0.041 3.804 0.000) 3.805 13.220 ( 0.195 -1.125 0.000) 1.141 13.220 ( 0.195 1.125 0.000) 1.141 13.489 ( -2.597 -3.510 0.000) 4.366 13.489 ( -2.597 3.510 0.000) 4.366 13.605 ( -1.221 -2.587 -0.000) 2.860 13.605 ( -1.221 2.587 -0.000) 2.860 13.715 ( 1.992 -5.051 0.000) 5.429 13.715 ( 1.992 5.051 0.000) 5.429 13.774 ( 2.196 -3.433 0.000) 4.076 13.774 ( 2.196 3.433 0.000) 4.076 13.964 ( -4.598 -0.794 0.000) 4.666 13.964 ( -4.598 0.794 0.000) 4.666 14.293 ( 5.577 -4.087 0.000) 6.914 14.293 ( 5.577 4.087 0.000) 6.914 14.403 ( -12.453 -4.681 0.000) 13.304 14.403 ( -12.453 4.681 0.000) 13.304 14.762 ( -0.662 -1.898 0.000) 2.010 14.762 ( -0.662 1.898 0.000) 2.010 14.843 ( -9.898 -2.263 0.000) 10.153 14.843 ( -9.898 2.263 0.000) 10.153 14.933 ( -1.360 -0.151 0.000) 1.368 14.933 ( -1.360 0.151 -0.000) 1.368 15.123 ( 5.866 -2.959 0.000) 6.570 15.123 ( 5.866 2.959 0.000) 6.570 15.454 ( 7.256 -2.592 0.000) 7.705 15.454 ( 7.256 2.592 0.000) 7.705 15.581 ( 4.671 -0.479 0.000) 4.695 15.581 ( 4.671 0.479 0.000) 4.695 16.028 ( -2.197 -5.542 0.000) 5.962 16.028 ( -2.197 5.542 0.000) 5.962 16.115 ( -5.942 -4.385 0.000) 7.385 16.115 ( -5.942 4.385 0.000) 7.385 16.280 ( -1.315 -6.314 0.000) 6.449 16.280 ( -1.315 6.314 0.000) 6.449 16.500 ( -5.020 -6.304 0.000) 8.059 16.500 ( -5.020 6.304 0.000) 8.059 16.860 ( 0.238 -0.493 0.000) 0.548 16.860 ( 0.238 0.493 0.000) 0.548 16.986 ( -1.055 -0.307 0.000) 1.099 16.986 ( -1.055 0.307 0.000) 1.099 17.174 ( -0.975 -6.707 0.000) 6.777 17.174 ( -0.975 6.707 0.000) 6.777 17.373 ( 7.423 -3.124 0.000) 8.054 17.373 ( 7.423 3.124 0.000) 8.054 17.451 ( 7.297 -4.855 0.000) 8.765 17.451 ( 7.297 4.855 0.000) 8.765 17.613 ( 1.662 -0.184 0.000) 1.672 17.613 ( 1.662 0.184 0.000) 1.672 17.922 ( -4.354 -7.383 0.000) 8.571 17.922 ( -4.354 7.383 0.000) 8.571 18.114 ( -1.335 -1.345 0.000) 1.895 18.114 ( -1.335 1.345 0.000) 1.895 18.163 ( 0.656 -4.744 0.000) 4.789 18.163 ( 0.656 4.744 0.000) 4.789 18.594 ( 21.380 -0.436 0.000) 21.385 18.594 ( 21.380 0.436 0.000) 21.385 19.894 ( -0.466 -0.021 0.000) 0.467 19.894 ( -0.466 0.021 0.000) 0.467 20.282 ( -2.015 -1.828 0.000) 2.720 20.282 ( -2.015 1.828 0.000) 2.720 21.441 ( -23.654 -0.415 0.000) 23.658 21.441 ( -23.654 0.415 0.000) 23.658 23.688 ( -5.181 -0.201 0.000) 5.185 23.688 ( -5.181 0.201 0.000) 5.185 23.890 ( -2.804 -0.066 0.000) 2.804 23.890 ( -2.804 0.066 0.000) 2.804 24.737 ( 0.885 -0.952 0.000) 1.300 24.737 ( 0.885 0.952 0.000) 1.300 24.745 ( 1.894 -1.178 -0.000) 2.230 24.745 ( 1.894 1.178 -0.000) 2.230 24.918 ( 4.669 -0.896 0.000) 4.754 24.918 ( 4.669 0.896 0.000) 4.754 25.082 ( 15.927 -1.364 0.000) 15.985 25.082 ( 15.927 1.364 0.000) 15.985 25.793 ( -1.496 -12.691 0.000) 12.779 25.793 ( -1.496 12.691 0.000) 12.779 25.889 ( 4.277 -16.842 0.000) 17.377 25.889 ( 4.277 16.842 0.000) 17.377 26.726 ( -1.347 -4.015 0.000) 4.235 26.726 ( -1.347 4.015 0.000) 4.235 27.245 ( -7.476 -0.268 0.000) 7.481 27.245 ( -7.476 0.268 0.000) 7.481 29.352 ( -0.545 -0.077 0.000) 0.550 29.352 ( -0.545 0.077 0.000) 0.550 29.762 ( -7.382 -0.714 0.000) 7.417 29.762 ( -7.382 0.714 0.000) 7.417 30.093 ( 7.856 -0.127 0.000) 7.857 30.093 ( 7.856 0.127 0.000) 7.857 30.155 ( 7.117 -1.092 0.000) 7.200 30.155 ( 7.117 1.092 -0.000) 7.200 35.449 ( -2.011 -0.880 -0.000) 2.195 35.449 ( -2.011 0.880 0.000) 2.195 35.470 ( -2.122 -0.760 0.000) 2.254 35.470 ( -2.122 0.760 0.000) 2.254 97.675 ( -0.798 -0.516 0.000) 0.950 97.675 ( -0.798 0.516 0.000) 0.950 97.749 ( -1.823 -0.678 0.000) 1.945 97.749 ( -1.823 0.678 0.000) 1.945 100.201 ( -1.151 -1.729 0.000) 2.077 100.201 ( -1.151 1.729 0.000) 2.077 100.484 ( -1.290 -1.162 0.000) 1.736 100.484 ( -1.290 1.162 0.000) 1.736 ======================= Grid point 217 (69/72) ======================= q-point: ( 0.20 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.645 ( 18.457 -3.893 0.000) 18.863 3.645 ( 18.457 3.893 0.000) 18.863 3.822 ( 19.223 -7.551 0.000) 20.653 3.822 ( 19.223 7.551 0.000) 20.653 3.913 ( 28.497 -21.199 -0.000) 35.518 3.913 ( 28.497 21.199 -0.000) 35.518 4.150 ( 18.619 -4.583 0.000) 19.174 4.150 ( 18.619 4.583 0.000) 19.174 5.567 ( 6.710 -18.004 0.000) 19.213 5.567 ( 6.710 18.004 0.000) 19.213 5.750 ( 11.130 -11.698 0.000) 16.147 5.750 ( 11.130 11.698 -0.000) 16.147 5.998 ( 10.697 -14.173 -0.000) 17.757 5.998 ( 10.697 14.173 0.000) 17.757 6.219 ( 8.762 -4.478 0.000) 9.840 6.219 ( 8.762 4.478 -0.000) 9.840 6.302 ( 12.898 -5.241 0.000) 13.922 6.302 ( 12.898 5.241 -0.000) 13.922 6.445 ( 6.083 -7.068 -0.000) 9.325 6.445 ( 6.083 7.068 0.000) 9.325 6.585 ( 9.733 -4.250 0.000) 10.621 6.585 ( 9.733 4.250 0.000) 10.621 6.670 ( 0.544 -6.733 -0.000) 6.755 6.670 ( 0.544 6.733 -0.000) 6.755 6.931 ( -4.940 -3.628 0.000) 6.129 6.931 ( -4.940 3.628 0.000) 6.129 6.987 ( -5.451 -4.768 -0.000) 7.242 6.987 ( -5.451 4.768 -0.000) 7.242 7.202 ( -1.981 -5.095 0.000) 5.466 7.202 ( -1.981 5.095 0.000) 5.466 7.449 ( -10.816 -1.606 0.000) 10.935 7.449 ( -10.816 1.606 0.000) 10.935 7.496 ( -9.623 -3.258 -0.000) 10.160 7.496 ( -9.623 3.258 0.000) 10.160 7.612 ( 1.697 -5.128 0.000) 5.402 7.612 ( 1.697 5.128 0.000) 5.402 7.686 ( -10.653 -5.022 0.000) 11.778 7.686 ( -10.653 5.022 -0.000) 11.778 7.886 ( -6.606 -8.088 0.000) 10.443 7.886 ( -6.606 8.088 0.000) 10.443 7.988 ( -6.288 -7.090 0.000) 9.476 7.988 ( -6.288 7.090 0.000) 9.476 8.098 ( -14.470 -2.791 0.000) 14.737 8.098 ( -14.470 2.791 0.000) 14.737 8.358 ( 10.998 -4.870 0.000) 12.028 8.358 ( 10.998 4.870 0.000) 12.028 8.612 ( -6.093 -4.266 0.000) 7.438 8.612 ( -6.093 4.266 0.000) 7.438 8.851 ( -3.444 -1.533 0.000) 3.770 8.851 ( -3.444 1.533 0.000) 3.770 8.932 ( -4.169 -11.258 0.000) 12.005 8.932 ( -4.169 11.258 0.000) 12.005 9.108 ( -1.253 -12.977 0.000) 13.037 9.108 ( -1.253 12.977 0.000) 13.037 9.145 ( -5.822 -4.554 0.000) 7.391 9.145 ( -5.822 4.554 0.000) 7.391 9.394 ( 3.748 -2.633 0.000) 4.580 9.394 ( 3.748 2.633 0.000) 4.580 9.506 ( -3.152 -3.888 0.000) 5.005 9.506 ( -3.152 3.888 0.000) 5.005 9.625 ( 3.158 -6.268 0.000) 7.018 9.625 ( 3.158 6.268 0.000) 7.018 9.724 ( -4.093 -4.667 -0.000) 6.208 9.724 ( -4.093 4.667 0.000) 6.208 9.892 ( -5.109 -1.582 0.000) 5.349 9.892 ( -5.109 1.582 0.000) 5.349 10.003 ( -7.448 -0.411 0.000) 7.460 10.003 ( -7.448 0.411 0.000) 7.460 10.097 ( -2.282 -0.472 -0.000) 2.330 10.097 ( -2.282 0.472 0.000) 2.330 10.276 ( 2.920 -2.919 0.000) 4.129 10.276 ( 2.920 2.919 0.000) 4.129 10.341 ( -2.495 -0.268 0.000) 2.509 10.341 ( -2.495 0.268 0.000) 2.509 10.426 ( -2.447 -0.980 0.000) 2.636 10.426 ( -2.447 0.980 0.000) 2.636 10.557 ( -8.447 -0.358 0.000) 8.455 10.557 ( -8.447 0.358 0.000) 8.455 10.753 ( 0.118 -1.391 -0.000) 1.396 10.753 ( 0.118 1.391 0.000) 1.396 10.853 ( 1.017 -3.158 0.000) 3.317 10.853 ( 1.017 3.158 0.000) 3.317 11.082 ( -4.029 -1.505 0.000) 4.301 11.082 ( -4.029 1.505 0.000) 4.301 11.157 ( 3.417 -0.637 0.000) 3.476 11.157 ( 3.417 0.637 0.000) 3.476 11.398 ( -2.301 -0.216 -0.000) 2.311 11.398 ( -2.301 0.216 -0.000) 2.311 11.409 ( 2.523 -6.805 0.000) 7.258 11.409 ( 2.523 6.805 0.000) 7.258 11.855 ( -0.742 -4.341 0.000) 4.404 11.855 ( -0.742 4.341 0.000) 4.404 12.011 ( 1.306 -4.046 0.000) 4.251 12.011 ( 1.306 4.046 0.000) 4.251 12.128 ( -5.597 -2.934 -0.000) 6.319 12.128 ( -5.597 2.934 0.000) 6.319 12.196 ( 8.276 -4.585 0.000) 9.461 12.196 ( 8.276 4.585 0.000) 9.461 12.465 ( 3.948 -2.965 0.000) 4.937 12.465 ( 3.948 2.965 0.000) 4.937 12.694 ( -2.854 -0.741 0.000) 2.949 12.694 ( -2.854 0.741 0.000) 2.949 12.810 ( -2.327 -0.203 0.000) 2.336 12.810 ( -2.327 0.203 0.000) 2.336 12.984 ( 4.477 -5.374 0.000) 6.995 12.984 ( 4.477 5.374 0.000) 6.995 13.084 ( 3.232 -1.376 0.000) 3.513 13.084 ( 3.232 1.376 0.000) 3.513 13.202 ( -2.241 -5.330 0.000) 5.782 13.202 ( -2.241 5.330 0.000) 5.782 13.398 ( -3.801 -4.738 0.000) 6.074 13.398 ( -3.801 4.738 0.000) 6.074 13.483 ( -11.438 -2.086 0.000) 11.627 13.483 ( -11.438 2.086 -0.000) 11.627 13.758 ( 1.983 -4.357 0.000) 4.787 13.758 ( 1.983 4.357 0.000) 4.787 13.884 ( 2.998 -2.806 0.000) 4.107 13.884 ( 2.998 2.806 0.000) 4.107 13.965 ( 10.327 -0.223 0.000) 10.330 13.965 ( 10.327 0.223 0.000) 10.330 14.161 ( -10.223 -4.155 0.000) 11.036 14.161 ( -10.223 4.155 -0.000) 11.036 14.450 ( 6.507 -0.694 0.000) 6.544 14.450 ( 6.507 0.694 -0.000) 6.544 14.522 ( -18.231 -2.778 0.000) 18.441 14.522 ( -18.231 2.778 0.000) 18.441 14.704 ( -5.913 -0.845 0.000) 5.973 14.704 ( -5.913 0.845 0.000) 5.973 14.802 ( -7.575 -3.084 0.000) 8.179 14.802 ( -7.575 3.084 0.000) 8.179 15.310 ( 9.129 -10.205 0.000) 13.693 15.310 ( 9.129 10.205 0.000) 13.693 15.479 ( 2.768 -3.131 0.000) 4.179 15.479 ( 2.768 3.131 0.000) 4.179 15.812 ( 4.104 -4.415 0.000) 6.028 15.812 ( 4.104 4.415 0.000) 6.028 15.946 ( -7.538 -1.578 0.000) 7.702 15.946 ( -7.538 1.578 0.000) 7.702 16.050 ( 5.917 -0.914 0.000) 5.988 16.050 ( 5.917 0.914 0.000) 5.988 16.304 ( 6.558 -3.487 0.000) 7.427 16.304 ( 6.558 3.487 0.000) 7.427 16.478 ( 2.109 -7.066 0.000) 7.375 16.478 ( 2.109 7.066 0.000) 7.375 16.867 ( -0.066 -1.588 0.000) 1.589 16.867 ( -0.066 1.588 0.000) 1.589 16.927 ( -4.297 -1.983 0.000) 4.733 16.927 ( -4.297 1.983 0.000) 4.733 17.201 ( 2.275 -3.994 0.000) 4.596 17.201 ( 2.275 3.994 0.000) 4.596 17.476 ( 3.997 -7.460 0.000) 8.463 17.476 ( 3.997 7.460 0.000) 8.463 17.592 ( 5.605 -0.178 0.000) 5.608 17.592 ( 5.605 0.178 -0.000) 5.608 17.649 ( 2.050 -1.148 -0.000) 2.350 17.649 ( 2.050 1.148 0.000) 2.350 17.881 ( -0.050 -4.887 0.000) 4.888 17.881 ( -0.050 4.887 0.000) 4.888 18.060 ( -3.000 -0.672 0.000) 3.075 18.060 ( -3.000 0.672 0.000) 3.075 18.195 ( 1.671 -1.421 0.000) 2.193 18.195 ( 1.671 1.421 0.000) 2.193 19.010 ( 18.413 -2.341 0.000) 18.561 19.010 ( 18.413 2.341 0.000) 18.561 19.884 ( -0.561 -0.070 0.000) 0.566 19.884 ( -0.561 0.070 0.000) 0.566 20.251 ( -0.181 -2.934 0.000) 2.939 20.251 ( -0.181 2.934 0.000) 2.939 20.952 ( -23.842 -1.200 0.000) 23.873 20.952 ( -23.842 1.200 0.000) 23.873 23.584 ( -4.661 -0.184 0.000) 4.665 23.584 ( -4.661 0.184 0.000) 4.665 23.797 ( -6.201 -0.153 0.000) 6.203 23.797 ( -6.201 0.153 0.000) 6.203 24.741 ( 0.151 -0.065 0.000) 0.165 24.741 ( 0.151 0.065 0.000) 0.165 24.782 ( 1.688 -0.381 0.000) 1.730 24.782 ( 1.688 0.381 -0.000) 1.730 24.976 ( 1.852 -0.951 0.000) 2.082 24.976 ( 1.852 0.951 0.000) 2.082 25.418 ( 13.926 -1.150 0.000) 13.973 25.418 ( 13.926 1.150 0.000) 13.973 25.767 ( -1.150 -9.786 0.000) 9.853 25.767 ( -1.150 9.786 0.000) 9.853 26.024 ( 9.805 -16.576 0.000) 19.259 26.024 ( 9.805 16.576 0.000) 19.259 26.686 ( -2.943 -7.675 0.000) 8.220 26.686 ( -2.943 7.675 0.000) 8.220 27.056 ( -10.812 -1.041 0.000) 10.862 27.056 ( -10.812 1.041 0.000) 10.862 29.341 ( -0.451 -0.143 0.000) 0.473 29.341 ( -0.451 0.143 0.000) 0.473 29.608 ( -7.621 -0.176 0.000) 7.623 29.608 ( -7.621 0.176 0.000) 7.623 30.290 ( 11.330 -0.755 -0.000) 11.355 30.290 ( 11.330 0.755 0.000) 11.355 30.316 ( 8.882 -1.279 0.000) 8.974 30.316 ( 8.882 1.279 -0.000) 8.974 35.397 ( -3.097 -0.957 -0.000) 3.242 35.397 ( -3.097 0.957 0.000) 3.242 35.416 ( -3.203 -0.845 0.000) 3.313 35.416 ( -3.203 0.845 0.000) 3.313 97.657 ( -0.970 -0.701 0.000) 1.197 97.657 ( -0.970 0.701 -0.000) 1.197 97.706 ( -2.280 -0.841 0.000) 2.430 97.706 ( -2.280 0.841 0.000) 2.430 100.180 ( -0.755 -1.756 0.000) 1.911 100.180 ( -0.755 1.756 0.000) 1.911 100.441 ( -2.953 -1.239 0.000) 3.202 100.441 ( -2.953 1.239 0.000) 3.202 ======================= Grid point 221 (70/72) ======================= q-point: ( 0.30 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.068 ( 24.278 -0.567 0.000) 24.284 4.068 ( 24.278 0.567 0.000) 24.284 4.264 ( 26.196 -6.092 0.000) 26.895 4.264 ( 26.196 6.092 0.000) 26.895 4.499 ( 26.755 -12.203 0.000) 29.407 4.499 ( 26.755 12.203 -0.000) 29.407 4.612 ( 29.420 -0.277 -0.000) 29.422 4.612 ( 29.420 0.277 0.000) 29.422 5.692 ( 3.500 -7.675 0.000) 8.436 5.692 ( 3.500 7.675 0.000) 8.436 5.903 ( 3.272 -2.699 0.000) 4.241 5.903 ( 3.272 2.699 0.000) 4.241 6.103 ( -0.187 -4.180 0.000) 4.184 6.103 ( -0.187 4.180 0.000) 4.184 6.216 ( -3.307 -6.475 0.000) 7.271 6.216 ( -3.307 6.475 -0.000) 7.271 6.272 ( -9.351 -3.825 -0.000) 10.103 6.272 ( -9.351 3.825 0.000) 10.103 6.446 ( -5.698 -4.563 0.000) 7.300 6.446 ( -5.698 4.563 0.000) 7.300 6.633 ( -2.490 -3.740 -0.000) 4.493 6.633 ( -2.490 3.740 0.000) 4.493 6.808 ( -8.349 -3.618 0.000) 9.100 6.808 ( -8.349 3.618 0.000) 9.100 6.915 ( -1.621 -0.501 -0.000) 1.697 6.915 ( -1.621 0.501 0.000) 1.697 6.932 ( 3.809 -0.482 0.000) 3.839 6.932 ( 3.809 0.482 0.000) 3.839 7.256 ( -3.120 -1.680 0.000) 3.543 7.256 ( -3.120 1.680 0.000) 3.543 7.339 ( 13.880 -12.062 -0.000) 18.389 7.339 ( 13.880 12.062 0.000) 18.389 7.412 ( -6.793 -0.758 -0.000) 6.835 7.412 ( -6.793 0.758 0.000) 6.835 7.530 ( 1.689 -2.698 0.000) 3.183 7.530 ( 1.689 2.698 0.000) 3.183 7.615 ( -5.542 -4.765 0.000) 7.309 7.615 ( -5.542 4.765 -0.000) 7.309 7.784 ( 1.939 -1.571 0.000) 2.495 7.784 ( 1.939 1.571 0.000) 2.495 7.879 ( 1.555 -4.036 0.000) 4.326 7.879 ( 1.555 4.036 -0.000) 4.326 8.014 ( 6.415 -1.269 0.000) 6.539 8.014 ( 6.415 1.269 0.000) 6.539 8.388 ( -8.299 -0.337 0.000) 8.306 8.388 ( -8.299 0.337 0.000) 8.306 8.596 ( 2.358 -3.646 0.000) 4.343 8.596 ( 2.358 3.646 0.000) 4.343 8.727 ( -7.727 -3.218 0.000) 8.370 8.727 ( -7.727 3.218 0.000) 8.370 8.817 ( -7.580 -4.664 0.000) 8.900 8.817 ( -7.580 4.664 0.000) 8.900 8.999 ( -8.182 -4.961 0.000) 9.568 8.999 ( -8.182 4.961 0.000) 9.568 9.184 ( 6.706 -12.502 0.000) 14.187 9.184 ( 6.706 12.502 0.000) 14.187 9.282 ( -8.285 -0.822 0.000) 8.326 9.282 ( -8.285 0.822 0.000) 8.326 9.472 ( -6.960 -4.981 0.000) 8.558 9.472 ( -6.960 4.981 0.000) 8.558 9.518 ( 0.278 -3.345 0.000) 3.357 9.518 ( 0.278 3.345 -0.000) 3.357 9.756 ( 1.293 -0.744 0.000) 1.492 9.756 ( 1.293 0.744 0.000) 1.492 9.873 ( -2.463 -0.652 0.000) 2.548 9.873 ( -2.463 0.652 0.000) 2.548 9.923 ( -1.546 -3.775 0.000) 4.079 9.923 ( -1.546 3.775 0.000) 4.079 10.075 ( 2.350 -0.932 -0.000) 2.529 10.075 ( 2.350 0.932 0.000) 2.529 10.207 ( -5.933 -3.776 0.000) 7.032 10.207 ( -5.933 3.776 0.000) 7.032 10.382 ( 3.186 -1.082 0.000) 3.364 10.382 ( 3.186 1.082 0.000) 3.364 10.409 ( -3.116 -3.592 -0.000) 4.755 10.409 ( -3.116 3.592 -0.000) 4.755 10.444 ( -0.486 -1.918 0.000) 1.979 10.444 ( -0.486 1.918 -0.000) 1.979 10.709 ( -6.863 -0.738 -0.000) 6.902 10.709 ( -6.863 0.738 0.000) 6.902 10.830 ( -2.463 -3.613 0.000) 4.373 10.830 ( -2.463 3.613 0.000) 4.373 10.997 ( 0.274 -4.504 0.000) 4.513 10.997 ( 0.274 4.504 0.000) 4.513 11.275 ( 1.717 -2.003 0.000) 2.638 11.275 ( 1.717 2.003 -0.000) 2.638 11.300 ( -0.048 -11.212 0.000) 11.212 11.300 ( -0.048 11.212 0.000) 11.212 11.539 ( 5.549 -0.774 0.000) 5.603 11.539 ( 5.549 0.774 0.000) 5.603 11.797 ( -6.365 -2.873 0.000) 6.984 11.797 ( -6.365 2.873 0.000) 6.984 11.985 ( -3.307 -3.035 0.000) 4.488 11.985 ( -3.307 3.035 0.000) 4.488 12.121 ( 4.652 -1.293 0.000) 4.828 12.121 ( 4.652 1.293 0.000) 4.828 12.251 ( -3.320 -1.469 0.000) 3.630 12.251 ( -3.320 1.469 0.000) 3.630 12.558 ( 3.699 -1.973 0.000) 4.192 12.558 ( 3.699 1.973 0.000) 4.192 12.631 ( 1.129 -3.741 0.000) 3.908 12.631 ( 1.129 3.741 0.000) 3.908 12.709 ( -6.545 -3.630 0.000) 7.484 12.709 ( -6.545 3.630 0.000) 7.484 12.983 ( -8.935 -2.384 0.000) 9.247 12.983 ( -8.935 2.384 0.000) 9.247 13.074 ( -5.771 -0.005 0.000) 5.771 13.074 ( -5.771 0.005 -0.000) 5.771 13.169 ( 1.045 -8.907 0.000) 8.968 13.169 ( 1.045 8.907 0.000) 8.968 13.309 ( -1.480 -3.472 0.000) 3.774 13.309 ( -1.480 3.472 0.000) 3.774 13.391 ( 2.612 -5.018 -0.000) 5.657 13.391 ( 2.612 5.018 -0.000) 5.657 13.743 ( -4.102 -0.522 0.000) 4.135 13.743 ( -4.102 0.522 0.000) 4.135 13.944 ( 2.294 -2.428 0.000) 3.340 13.944 ( 2.294 2.428 0.000) 3.340 14.040 ( -5.088 -10.675 0.000) 11.825 14.040 ( -5.088 10.675 0.000) 11.825 14.151 ( -3.304 -0.830 0.000) 3.406 14.151 ( -3.304 0.830 0.000) 3.406 14.255 ( 6.827 -2.082 0.000) 7.137 14.255 ( 6.827 2.082 0.000) 7.137 14.459 ( -5.924 -2.841 0.000) 6.570 14.459 ( -5.924 2.841 0.000) 6.570 14.592 ( -5.132 -2.294 0.000) 5.621 14.592 ( -5.132 2.294 0.000) 5.621 14.782 ( 5.058 -7.793 0.000) 9.290 14.782 ( 5.058 7.793 0.000) 9.290 15.399 ( 1.603 -14.649 0.000) 14.736 15.399 ( 1.603 14.649 0.000) 14.736 15.617 ( 6.371 -10.289 0.000) 12.102 15.617 ( 6.371 10.289 0.000) 12.102 15.736 ( -3.512 -3.206 -0.000) 4.755 15.736 ( -3.512 3.206 0.000) 4.755 15.859 ( -1.581 -2.341 0.000) 2.825 15.859 ( -1.581 2.341 0.000) 2.825 16.142 ( 1.579 -0.776 0.000) 1.760 16.142 ( 1.579 0.776 0.000) 1.760 16.467 ( 2.038 -3.755 0.000) 4.272 16.467 ( 2.038 3.755 0.000) 4.272 16.615 ( 13.561 -2.062 0.000) 13.717 16.615 ( 13.561 2.062 0.000) 13.717 16.828 ( -2.406 -2.891 0.000) 3.761 16.828 ( -2.406 2.891 0.000) 3.761 16.882 ( -0.274 -0.552 0.000) 0.616 16.882 ( -0.274 0.552 0.000) 0.616 17.225 ( 0.074 -1.793 0.000) 1.795 17.225 ( 0.074 1.793 0.000) 1.795 17.544 ( 2.855 -4.147 0.000) 5.035 17.544 ( 2.855 4.147 0.000) 5.035 17.625 ( 0.062 -0.790 -0.000) 0.793 17.625 ( 0.062 0.790 0.000) 0.793 17.723 ( 3.630 -0.811 0.000) 3.719 17.723 ( 3.630 0.811 0.000) 3.719 17.896 ( 0.840 -1.737 0.000) 1.930 17.896 ( 0.840 1.737 0.000) 1.930 18.009 ( -1.951 -0.694 0.000) 2.071 18.009 ( -1.951 0.694 0.000) 2.071 18.236 ( 2.942 -2.746 0.000) 4.024 18.236 ( 2.942 2.746 0.000) 4.024 19.241 ( 4.841 -2.558 0.000) 5.476 19.241 ( 4.841 2.558 0.000) 5.476 19.868 ( -1.110 -0.220 0.000) 1.132 19.868 ( -1.110 0.220 0.000) 1.132 20.307 ( 5.727 -3.141 0.000) 6.532 20.307 ( 5.727 3.141 0.000) 6.532 20.557 ( -15.951 -2.249 -0.000) 16.109 20.557 ( -15.951 2.249 -0.000) 16.109 23.515 ( -2.575 -0.112 0.000) 2.578 23.515 ( -2.575 0.112 0.000) 2.578 23.672 ( -5.815 -0.158 0.000) 5.818 23.672 ( -5.815 0.158 0.000) 5.818 24.744 ( 0.154 -0.373 0.000) 0.404 24.744 ( 0.154 0.373 0.000) 0.404 24.813 ( 1.541 -0.509 -0.000) 1.623 24.813 ( 1.541 0.509 0.000) 1.623 24.997 ( 0.425 -0.351 0.000) 0.551 24.997 ( 0.425 0.351 0.000) 0.551 25.589 ( 4.599 -0.203 0.000) 4.603 25.589 ( 4.599 0.203 0.000) 4.603 25.755 ( 0.191 -6.260 0.000) 6.263 25.755 ( 0.191 6.260 0.000) 6.263 26.224 ( 8.183 -13.974 0.000) 16.194 26.224 ( 8.183 13.974 0.000) 16.194 26.608 ( -4.427 -9.509 0.000) 10.489 26.608 ( -4.427 9.509 -0.000) 10.489 26.874 ( -6.611 -0.840 0.000) 6.664 26.874 ( -6.611 0.840 0.000) 6.664 29.336 ( -0.063 -0.147 0.000) 0.160 29.336 ( -0.063 0.147 0.000) 0.160 29.481 ( -5.142 -0.088 0.000) 5.143 29.481 ( -5.142 0.088 0.000) 5.143 30.482 ( 7.765 -0.545 -0.000) 7.784 30.482 ( 7.765 0.545 0.000) 7.784 30.505 ( 9.948 -0.324 0.000) 9.954 30.505 ( 9.948 0.324 -0.000) 9.954 35.336 ( -2.905 -0.564 -0.000) 2.959 35.336 ( -2.905 0.564 0.000) 2.959 35.352 ( -3.086 -0.509 0.000) 3.128 35.352 ( -3.086 0.509 0.000) 3.128 97.640 ( -0.710 -0.629 0.000) 0.949 97.640 ( -0.710 0.629 -0.000) 0.949 97.666 ( -1.698 -0.694 0.000) 1.834 97.666 ( -1.698 0.694 0.000) 1.834 100.174 ( 0.156 -1.074 0.000) 1.085 100.174 ( 0.156 1.074 0.000) 1.085 100.375 ( -3.658 -0.821 0.000) 3.749 100.375 ( -3.658 0.821 0.000) 3.749 ======================= Grid point 225 (71/72) ======================= q-point: ( 0.40 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.551 ( 23.004 -0.024 0.000) 23.004 4.551 ( 23.004 0.024 0.000) 23.004 4.799 ( 26.725 -2.543 0.000) 26.845 4.799 ( 26.725 2.543 0.000) 26.845 4.948 ( 19.015 -1.874 0.000) 19.107 4.948 ( 19.015 1.874 0.000) 19.107 5.186 ( 25.664 -5.149 0.000) 26.175 5.186 ( 25.664 5.149 0.000) 26.175 5.694 ( -0.195 -0.378 0.000) 0.425 5.694 ( -0.195 0.378 0.000) 0.425 5.776 ( -13.498 -1.229 0.000) 13.554 5.776 ( -13.498 1.229 0.000) 13.554 6.043 ( -7.599 -3.882 0.000) 8.533 6.043 ( -7.599 3.882 0.000) 8.533 6.130 ( -7.089 -0.386 -0.000) 7.099 6.130 ( -7.089 0.386 -0.000) 7.099 6.168 ( -11.415 -11.650 0.000) 16.310 6.168 ( -11.415 11.650 0.000) 16.310 6.268 ( 4.360 -5.612 0.000) 7.107 6.268 ( 4.359 5.612 0.000) 7.107 6.535 ( -10.538 -2.161 0.000) 10.758 6.535 ( -10.538 2.161 0.000) 10.758 6.678 ( -2.280 -1.026 0.000) 2.500 6.678 ( -2.280 1.026 0.000) 2.500 6.820 ( -15.460 -4.349 -0.000) 16.060 6.820 ( -15.460 4.349 0.000) 16.060 6.921 ( 1.055 -5.092 0.000) 5.200 6.921 ( 1.055 5.092 0.000) 5.200 7.014 ( -5.250 -4.396 0.000) 6.847 7.014 ( -5.250 4.396 -0.000) 6.847 7.272 ( -5.072 -0.881 0.000) 5.148 7.272 ( -5.072 0.881 0.000) 5.148 7.527 ( 0.357 -5.152 -0.000) 5.165 7.527 ( 0.357 5.152 0.000) 5.165 7.556 ( 3.099 -0.945 0.000) 3.240 7.556 ( 3.099 0.945 -0.000) 3.240 7.744 ( 2.619 -1.166 0.000) 2.867 7.744 ( 2.619 1.166 0.000) 2.867 7.887 ( 4.324 -4.610 0.000) 6.320 7.887 ( 4.324 4.610 0.000) 6.320 8.017 ( 7.899 -7.546 0.000) 10.924 8.017 ( 7.899 7.546 0.000) 10.924 8.270 ( 12.898 -11.134 0.000) 17.039 8.270 ( 12.898 11.134 0.000) 17.039 8.353 ( 11.702 -2.695 -0.000) 12.008 8.353 ( 11.702 2.695 0.000) 12.008 8.484 ( -6.136 -0.962 0.000) 6.211 8.484 ( -6.136 0.962 0.000) 6.211 8.629 ( -3.123 -7.391 -0.000) 8.023 8.629 ( -3.123 7.391 0.000) 8.023 8.679 ( -5.161 -4.052 0.000) 6.561 8.679 ( -5.161 4.052 0.000) 6.561 8.898 ( -2.988 -5.438 0.000) 6.205 8.898 ( -2.988 5.438 0.000) 6.205 9.057 ( -7.483 -2.969 0.000) 8.050 9.057 ( -7.483 2.969 0.000) 8.050 9.358 ( 5.171 -5.599 0.000) 7.621 9.358 ( 5.171 5.599 0.000) 7.621 9.462 ( 0.172 -6.038 0.000) 6.041 9.462 ( 0.172 6.038 0.000) 6.041 9.535 ( 2.410 -5.600 0.000) 6.096 9.535 ( 2.410 5.600 0.000) 6.096 9.729 ( -0.476 -3.401 -0.000) 3.434 9.729 ( -0.476 3.401 0.000) 3.434 9.768 ( -7.049 -2.272 0.000) 7.406 9.768 ( -7.049 2.272 -0.000) 7.406 9.906 ( -2.588 -5.296 0.000) 5.894 9.906 ( -2.588 5.296 0.000) 5.894 10.082 ( -3.185 -3.406 0.000) 4.663 10.082 ( -3.185 3.406 -0.000) 4.663 10.173 ( 2.622 -1.599 0.000) 3.071 10.173 ( 2.622 1.599 0.000) 3.071 10.307 ( -2.549 -1.679 0.000) 3.052 10.307 ( -2.549 1.679 -0.000) 3.052 10.401 ( -3.096 -0.128 0.000) 3.098 10.401 ( -3.096 0.128 0.000) 3.098 10.469 ( -2.133 -2.331 0.000) 3.159 10.469 ( -2.133 2.331 -0.000) 3.159 10.621 ( 3.274 -4.837 0.000) 5.841 10.621 ( 3.274 4.837 0.000) 5.841 10.800 ( -0.094 -2.696 0.000) 2.698 10.800 ( -0.094 2.696 0.000) 2.698 11.019 ( -1.108 -5.375 0.000) 5.488 11.019 ( -1.108 5.375 0.000) 5.488 11.187 ( -4.427 -5.157 -0.000) 6.797 11.187 ( -4.427 5.157 0.000) 6.797 11.370 ( -0.204 -1.140 0.000) 1.158 11.370 ( -0.204 1.140 0.000) 1.158 11.574 ( -2.594 -0.760 0.000) 2.703 11.574 ( -2.594 0.760 0.000) 2.703 11.676 ( -1.303 -0.021 0.000) 1.303 11.676 ( -1.303 0.021 0.000) 1.303 11.955 ( 0.143 -1.242 0.000) 1.250 11.955 ( 0.143 1.242 0.000) 1.250 12.106 ( -6.358 -2.610 0.000) 6.873 12.106 ( -6.358 2.610 0.000) 6.873 12.261 ( 5.842 -0.635 0.000) 5.876 12.261 ( 5.842 0.635 0.000) 5.876 12.496 ( -6.899 -3.930 0.000) 7.940 12.496 ( -6.899 3.930 0.000) 7.940 12.641 ( -0.959 -0.046 0.000) 0.960 12.641 ( -0.959 0.046 0.000) 0.960 12.745 ( 5.747 -1.550 0.000) 5.952 12.745 ( 5.747 1.550 0.000) 5.952 12.806 ( -5.890 -2.397 0.000) 6.359 12.806 ( -5.890 2.397 0.000) 6.359 12.932 ( -5.948 -0.672 0.000) 5.986 12.932 ( -5.948 0.672 0.000) 5.986 13.161 ( -1.672 -4.926 0.000) 5.202 13.161 ( -1.672 4.926 0.000) 5.202 13.397 ( 7.407 -3.771 0.000) 8.311 13.397 ( 7.407 3.771 0.000) 8.311 13.465 ( 4.464 -3.619 0.000) 5.747 13.465 ( 4.464 3.619 0.000) 5.747 13.633 ( -6.054 -2.879 0.000) 6.704 13.633 ( -6.054 2.879 0.000) 6.704 13.813 ( -11.694 -4.179 0.000) 12.418 13.813 ( -11.694 4.179 0.000) 12.418 13.991 ( 0.225 -0.853 0.000) 0.882 13.991 ( 0.225 0.853 0.000) 0.882 14.158 ( 2.316 -4.925 0.000) 5.443 14.158 ( 2.316 4.925 0.000) 5.443 14.343 ( -1.510 -4.378 0.000) 4.631 14.343 ( -1.510 4.378 0.000) 4.631 14.462 ( -0.801 -5.623 0.000) 5.680 14.462 ( -0.801 5.623 0.000) 5.680 14.555 ( 8.628 -4.587 0.000) 9.772 14.555 ( 8.628 4.587 0.000) 9.772 14.863 ( 1.546 -4.792 0.000) 5.035 14.863 ( 1.546 4.792 0.000) 5.035 15.421 ( 1.116 -12.342 0.000) 12.393 15.421 ( 1.116 12.342 0.000) 12.393 15.557 ( -5.525 -10.498 0.000) 11.863 15.557 ( -5.525 10.498 0.000) 11.863 15.790 ( 0.474 -0.412 0.000) 0.628 15.790 ( 0.474 0.412 0.000) 0.628 15.930 ( 9.524 -0.275 0.000) 9.528 15.930 ( 9.524 0.275 0.000) 9.528 16.152 ( 0.246 -4.024 0.000) 4.031 16.152 ( 0.246 4.024 0.000) 4.031 16.421 ( -5.578 -6.855 0.000) 8.838 16.421 ( -5.578 6.855 0.000) 8.838 16.720 ( -1.044 -3.170 0.000) 3.338 16.720 ( -1.044 3.170 0.000) 3.338 16.846 ( 0.633 -0.648 0.000) 0.906 16.846 ( 0.633 0.648 0.000) 0.906 16.968 ( 8.832 -0.099 0.000) 8.833 16.968 ( 8.832 0.099 0.000) 8.833 17.209 ( -1.420 -2.859 0.000) 3.193 17.209 ( -1.420 2.859 0.000) 3.193 17.586 ( 1.588 -0.225 0.000) 1.604 17.586 ( 1.588 0.225 0.000) 1.604 17.642 ( 1.510 -0.384 0.000) 1.558 17.642 ( 1.510 0.384 -0.000) 1.558 17.758 ( 0.204 -0.399 0.000) 0.448 17.758 ( 0.204 0.399 0.000) 0.448 17.892 ( -1.182 -0.110 0.000) 1.187 17.892 ( -1.182 0.110 0.000) 1.187 17.992 ( 0.049 -0.776 0.000) 0.777 17.992 ( 0.049 0.776 0.000) 0.777 18.311 ( 4.126 -3.459 0.000) 5.384 18.311 ( 4.126 3.459 0.000) 5.384 19.243 ( -2.735 -1.922 0.000) 3.343 19.243 ( -2.735 1.922 0.000) 3.343 19.847 ( -0.812 -0.275 0.000) 0.857 19.847 ( -0.812 0.275 0.000) 0.857 20.303 ( -7.230 -0.889 0.000) 7.284 20.303 ( -7.230 0.889 0.000) 7.284 20.458 ( 5.328 -0.757 0.000) 5.382 20.458 ( 5.328 0.757 -0.000) 5.382 23.470 ( -2.154 -0.021 0.000) 2.154 23.470 ( -2.154 0.021 0.000) 2.154 23.593 ( -2.127 -0.066 0.000) 2.128 23.593 ( -2.127 0.066 0.000) 2.128 24.744 ( -0.115 -0.062 0.000) 0.131 24.744 ( -0.115 0.062 0.000) 0.131 24.841 ( 1.267 -0.410 0.000) 1.332 24.841 ( 1.267 0.410 0.000) 1.332 24.998 ( -0.188 -0.118 0.000) 0.221 24.998 ( -0.188 0.118 0.000) 0.221 25.634 ( 0.703 -0.411 0.000) 0.814 25.634 ( 0.703 0.411 0.000) 0.814 25.780 ( 2.052 -2.417 0.000) 3.170 25.780 ( 2.052 2.417 0.000) 3.170 26.266 ( -3.100 -6.746 0.000) 7.424 26.266 ( -3.100 6.746 0.000) 7.424 26.574 ( 1.116 -3.443 0.000) 3.619 26.574 ( 1.116 3.443 0.000) 3.619 26.802 ( -1.410 -0.845 0.000) 1.644 26.802 ( -1.410 0.845 0.000) 1.644 29.339 ( 0.272 -0.086 0.000) 0.286 29.339 ( 0.272 0.086 0.000) 0.286 29.407 ( -2.556 -0.097 0.000) 2.558 29.407 ( -2.556 0.097 0.000) 2.558 30.604 ( 4.427 -0.334 -0.000) 4.440 30.604 ( 4.427 0.334 0.000) 4.440 30.661 ( 5.630 -0.254 0.000) 5.636 30.661 ( 5.630 0.254 -0.000) 5.636 35.290 ( -1.716 -0.232 -0.000) 1.731 35.290 ( -1.716 0.232 0.000) 1.731 35.302 ( -1.882 -0.214 0.000) 1.894 35.302 ( -1.882 0.214 0.000) 1.894 97.629 ( -0.361 -0.416 0.000) 0.551 97.629 ( -0.361 0.416 -0.000) 0.551 97.642 ( -0.827 -0.437 0.000) 0.935 97.642 ( -0.827 0.437 0.000) 0.935 100.185 ( 0.908 -0.498 0.000) 1.035 100.185 ( 0.908 0.498 0.000) 1.035 100.307 ( -2.994 -0.413 0.000) 3.023 100.307 ( -2.994 0.413 0.000) 3.023 ======================= Grid point 229 (72/72) ======================= q-point: (-0.50 -0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 1.15e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 36 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 4.820 ( 0.000 0.000 0.000) 0.000 4.820 ( 0.000 0.000 0.000) 0.000 5.095 ( -0.000 0.000 0.000) 0.000 5.095 ( 0.000 0.000 0.000) 0.000 5.260 ( -0.000 0.000 -0.000) 0.000 5.260 ( 0.000 0.000 0.000) 0.000 5.441 ( 0.000 0.000 -0.000) 0.000 5.441 ( -0.000 0.000 0.000) 0.000 5.546 ( -0.000 -0.000 -0.000) 0.000 5.546 ( 0.000 0.000 0.000) 0.000 5.739 ( 0.000 0.000 -0.000) 0.000 5.739 ( 0.000 0.000 0.000) 0.000 5.884 ( -0.000 -0.000 -0.000) 0.000 5.884 ( 0.000 0.000 0.000) 0.000 5.971 ( 0.000 -0.000 0.000) 0.000 5.971 ( 0.000 0.000 -0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.106 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.343 ( 0.000 0.000 0.000) 0.000 6.428 ( 0.000 -0.000 0.000) 0.000 6.428 ( 0.000 0.000 0.000) 0.000 6.594 ( -0.000 -0.000 0.000) 0.000 6.594 ( 0.000 0.000 0.000) 0.000 6.628 ( -0.000 0.000 0.000) 0.000 6.628 ( -0.000 0.000 0.000) 0.000 6.928 ( 0.000 -0.000 -0.000) 0.000 6.928 ( 0.000 0.000 0.000) 0.000 6.970 ( 0.000 -0.000 0.000) 0.000 6.970 ( 0.000 0.000 0.000) 0.000 7.363 ( 0.000 -0.000 0.000) 0.000 7.363 ( 0.000 0.000 0.000) 0.000 7.459 ( 0.000 -0.000 0.000) 0.000 7.459 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.571 ( 0.000 0.000 0.000) 0.000 7.638 ( 0.000 -0.000 0.000) 0.000 7.638 ( 0.000 -0.000 0.000) 0.000 8.023 ( 0.000 -0.000 0.000) 0.000 8.023 ( 0.000 0.000 0.000) 0.000 8.086 ( -0.000 -0.000 0.000) 0.000 8.086 ( -0.000 0.000 0.000) 0.000 8.284 ( -0.000 0.000 0.000) 0.000 8.284 ( 0.000 0.000 0.000) 0.000 8.454 ( 0.000 -0.000 -0.000) 0.000 8.454 ( 0.000 0.000 0.000) 0.000 8.574 ( 0.000 -0.000 0.000) 0.000 8.574 ( 0.000 0.000 0.000) 0.000 8.588 ( 0.000 -0.000 -0.000) 0.000 8.588 ( -0.000 0.000 0.000) 0.000 8.729 ( 0.000 0.000 -0.000) 0.000 8.729 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 8.849 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.007 ( 0.000 0.000 0.000) 0.000 9.342 ( 0.000 -0.000 0.000) 0.000 9.342 ( 0.000 0.000 0.000) 0.000 9.483 ( 0.000 -0.000 0.000) 0.000 9.483 ( 0.000 0.000 0.000) 0.000 9.550 ( 0.000 -0.000 0.000) 0.000 9.550 ( 0.000 0.000 0.000) 0.000 9.681 ( 0.000 0.000 -0.000) 0.000 9.681 ( 0.000 0.000 0.000) 0.000 9.784 ( -0.000 0.000 0.000) 0.000 9.784 ( 0.000 0.000 0.000) 0.000 9.829 ( 0.000 -0.000 -0.000) 0.000 9.829 ( -0.000 0.000 0.000) 0.000 10.032 ( 0.000 0.000 0.000) 0.000 10.032 ( 0.000 -0.000 0.000) 0.000 10.220 ( 0.000 -0.000 0.000) 0.000 10.220 ( 0.000 0.000 0.000) 0.000 10.310 ( -0.000 0.000 -0.000) 0.000 10.310 ( 0.000 0.000 -0.000) 0.000 10.343 ( 0.000 0.000 0.000) 0.000 10.343 ( -0.000 0.000 0.000) 0.000 10.410 ( 0.000 -0.000 0.000) 0.000 10.410 ( 0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.698 ( 0.000 0.000 0.000) 0.000 10.869 ( -0.000 -0.000 0.000) 0.000 10.869 ( 0.000 0.000 0.000) 0.000 10.910 ( -0.000 0.000 0.000) 0.000 10.910 ( 0.000 0.000 0.000) 0.000 11.150 ( 0.000 -0.000 0.000) 0.000 11.150 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.332 ( 0.000 0.000 0.000) 0.000 11.551 ( 0.000 0.000 0.000) 0.000 11.551 ( 0.000 0.000 0.000) 0.000 11.687 ( 0.000 -0.000 0.000) 0.000 11.687 ( 0.000 0.000 0.000) 0.000 11.976 ( 0.000 -0.000 0.000) 0.000 11.976 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.016 ( 0.000 0.000 0.000) 0.000 12.358 ( -0.000 -0.000 0.000) 0.000 12.358 ( 0.000 0.000 0.000) 0.000 12.389 ( 0.000 -0.000 0.000) 0.000 12.389 ( 0.000 0.000 -0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.785 ( 0.000 -0.000 0.000) 0.000 12.785 ( 0.000 0.001 0.000) 0.001 12.785 ( -0.001 -0.001 0.000) 0.001 12.785 ( 0.000 0.000 0.000) 0.001 12.868 ( 0.000 0.000 0.000) 0.000 12.868 ( 0.000 0.000 0.000) 0.000 13.147 ( 0.000 0.000 -0.000) 0.000 13.147 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.496 ( 0.000 0.000 0.000) 0.000 13.536 ( 0.000 -0.000 0.000) 0.000 13.536 ( 0.000 0.000 0.000) 0.000 13.598 ( -0.000 0.000 -0.000) 0.000 13.598 ( 0.000 0.000 0.000) 0.000 13.614 ( -0.000 -0.000 -0.000) 0.000 13.614 ( 0.000 -0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 13.989 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.182 ( 0.000 0.000 0.000) 0.000 14.339 ( 0.000 -0.000 0.000) 0.000 14.339 ( 0.000 0.000 0.000) 0.000 14.422 ( 0.000 0.000 0.000) 0.000 14.422 ( 0.000 0.000 0.000) 0.000 14.708 ( 0.000 0.000 0.000) 0.000 14.708 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 14.847 ( 0.000 0.000 0.000) 0.000 15.448 ( 0.000 -0.000 0.000) 0.000 15.448 ( 0.000 -0.000 0.000) 0.000 15.482 ( 0.000 0.000 0.000) 0.000 15.482 ( -0.000 0.000 0.000) 0.000 15.786 ( 0.000 0.000 0.000) 0.000 15.786 ( 0.000 0.000 0.000) 0.000 16.060 ( 0.000 0.000 0.000) 0.000 16.060 ( 0.000 0.000 0.000) 0.000 16.169 ( 0.000 0.000 0.000) 0.000 16.169 ( -0.000 0.000 0.000) 0.000 16.321 ( 0.000 -0.000 0.000) 0.000 16.321 ( -0.000 0.000 0.000) 0.000 16.706 ( 0.000 0.000 -0.000) 0.000 16.706 ( 0.000 0.000 0.000) 0.000 16.849 ( 0.000 0.000 0.000) 0.000 16.849 ( 0.000 0.000 0.000) 0.000 17.066 ( 0.000 0.000 -0.000) 0.000 17.066 ( 0.000 0.000 0.000) 0.000 17.190 ( 0.000 -0.000 0.000) 0.000 17.190 ( 0.000 0.000 0.000) 0.000 17.603 ( 0.000 -0.000 0.000) 0.000 17.603 ( 0.000 0.000 0.000) 0.000 17.664 ( 0.000 -0.000 0.000) 0.000 17.664 ( -0.000 0.000 0.000) 0.000 17.754 ( 0.000 -0.000 0.000) 0.000 17.754 ( 0.000 0.000 0.000) 0.000 17.875 ( 0.000 0.000 0.000) 0.000 17.875 ( -0.000 0.000 0.000) 0.000 17.995 ( 0.000 0.000 0.000) 0.000 17.995 ( 0.000 0.000 0.000) 0.000 18.359 ( 0.000 -0.000 0.000) 0.000 18.359 ( 0.000 0.000 0.000) 0.000 19.205 ( 0.000 0.000 0.000) 0.000 19.205 ( 0.000 0.000 0.000) 0.000 19.839 ( 0.000 0.000 0.000) 0.000 19.839 ( 0.000 0.000 0.000) 0.000 20.229 ( 0.000 0.000 0.000) 0.000 20.229 ( -0.000 0.000 0.000) 0.000 20.518 ( 0.000 0.000 0.000) 0.000 20.518 ( 0.000 0.000 0.000) 0.000 23.445 ( 0.000 0.000 0.000) 0.000 23.445 ( 0.000 0.000 0.000) 0.000 23.576 ( 0.000 0.000 0.000) 0.000 23.576 ( 0.000 0.000 0.000) 0.000 24.743 ( 0.000 0.000 0.000) 0.000 24.743 ( 0.000 0.000 0.000) 0.000 24.856 ( 0.000 -0.000 0.000) 0.000 24.856 ( 0.000 0.000 0.000) 0.000 24.995 ( 0.000 0.000 0.000) 0.000 24.995 ( 0.000 0.000 0.000) 0.000 25.638 ( 0.000 0.000 0.000) 0.000 25.638 ( 0.000 0.000 0.000) 0.000 25.807 ( 0.000 0.000 0.000) 0.000 25.807 ( 0.000 0.000 0.000) 0.000 26.216 ( 0.000 -0.000 0.000) 0.000 26.216 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 26.593 ( 0.000 0.000 0.000) 0.000 26.793 ( 0.000 0.000 0.000) 0.000 26.793 ( 0.000 0.000 0.000) 0.000 29.343 ( 0.000 0.000 0.000) 0.000 29.343 ( 0.000 0.000 0.000) 0.000 29.381 ( 0.000 0.000 0.000) 0.000 29.381 ( 0.000 0.000 0.000) 0.000 30.648 ( 0.000 0.000 0.000) 0.000 30.648 ( 0.000 0.000 0.000) 0.000 30.717 ( 0.000 0.000 0.000) 0.000 30.717 ( 0.000 0.000 0.000) 0.000 35.273 ( 0.000 0.000 0.000) 0.000 35.273 ( 0.000 0.000 0.000) 0.000 35.283 ( 0.000 0.000 0.000) 0.000 35.283 ( 0.000 0.000 0.000) 0.000 97.626 ( 0.000 -0.000 0.000) 0.000 97.626 ( 0.000 0.000 0.000) 0.000 97.634 ( 0.000 0.000 0.000) 0.000 97.634 ( 0.000 0.000 0.000) 0.000 100.199 ( -0.000 -0.000 0.000) 0.000 100.199 ( 0.000 0.000 0.000) 0.000 100.272 ( 0.000 0.000 0.000) 0.000 100.272 ( 0.000 0.000 0.000) 0.000 =================== 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 3/50400 10.0 1643.171 3241.218 2111.529 0.000 0.000 -0.000 3/50400 20.0 2020.025 2414.781 2400.588 0.000 0.000 -0.000 3/50400 30.0 899.513 1019.795 1010.139 0.000 0.000 -0.000 3/50400 40.0 419.235 452.906 434.931 0.000 0.000 -0.000 3/50400 50.0 224.198 231.605 213.853 0.000 0.000 -0.000 3/50400 60.0 135.040 135.316 120.637 0.000 0.000 -0.000 3/50400 70.0 89.360 87.796 76.169 0.000 0.000 -0.000 3/50400 80.0 63.607 61.675 52.462 0.000 0.000 -0.000 3/50400 90.0 47.905 46.018 38.608 0.000 0.000 -0.000 3/50400 100.0 37.701 35.962 29.888 0.000 0.000 -0.000 3/50400 110.0 30.714 29.136 24.061 0.000 0.000 -0.000 3/50400 120.0 25.721 24.289 19.973 0.000 0.000 -0.000 3/50400 130.0 22.022 20.717 16.989 0.000 0.000 -0.000 3/50400 140.0 19.198 18.002 14.736 0.000 0.000 -0.000 3/50400 150.0 16.988 15.884 12.988 0.000 0.000 -0.000 3/50400 160.0 15.220 14.194 11.600 0.000 0.000 -0.000 3/50400 170.0 13.779 12.820 10.474 0.000 0.000 -0.000 3/50400 180.0 12.585 11.684 9.546 0.000 0.000 -0.000 3/50400 190.0 11.581 10.732 8.770 0.000 0.000 -0.000 3/50400 200.0 10.727 9.923 8.111 0.000 0.000 -0.000 3/50400 210.0 9.993 9.228 7.545 0.000 0.000 -0.000 3/50400 220.0 9.354 8.625 7.055 0.000 0.000 -0.000 3/50400 230.0 8.795 8.097 6.627 0.000 0.000 -0.000 3/50400 240.0 8.301 7.632 6.249 0.000 0.000 -0.000 3/50400 250.0 7.861 7.219 5.913 0.000 0.000 -0.000 3/50400 260.0 7.468 6.849 5.613 0.000 0.000 -0.000 3/50400 270.0 7.113 6.516 5.343 0.000 0.000 -0.000 3/50400 280.0 6.792 6.215 5.098 0.000 0.000 -0.000 3/50400 290.0 6.500 5.942 4.876 0.000 0.000 -0.000 3/50400 300.0 6.233 5.693 4.674 0.000 0.000 -0.000 3/50400 310.0 5.989 5.464 4.488 0.000 0.000 -0.000 3/50400 320.0 5.763 5.254 4.317 0.000 0.000 -0.000 3/50400 330.0 5.555 5.060 4.159 0.000 0.000 -0.000 3/50400 340.0 5.362 4.880 4.013 0.000 0.000 -0.000 3/50400 350.0 5.183 4.713 3.877 0.000 0.000 -0.000 3/50400 360.0 5.016 4.558 3.751 0.000 0.000 -0.000 3/50400 370.0 4.859 4.413 3.632 0.000 0.000 -0.000 3/50400 380.0 4.713 4.277 3.522 0.000 0.000 -0.000 3/50400 390.0 4.575 4.150 3.418 0.000 0.000 -0.000 3/50400 400.0 4.446 4.030 3.320 0.000 0.000 -0.000 3/50400 410.0 4.324 3.917 3.228 0.000 0.000 -0.000 3/50400 420.0 4.209 3.811 3.142 0.000 0.000 -0.000 3/50400 430.0 4.100 3.710 3.059 0.000 0.000 -0.000 3/50400 440.0 3.997 3.615 2.982 0.000 0.000 -0.000 3/50400 450.0 3.899 3.525 2.908 0.000 0.000 -0.000 3/50400 460.0 3.806 3.439 2.838 0.000 0.000 -0.000 3/50400 470.0 3.718 3.358 2.771 0.000 0.000 -0.000 3/50400 480.0 3.633 3.280 2.708 0.000 0.000 -0.000 3/50400 490.0 3.553 3.206 2.647 0.000 0.000 -0.000 3/50400 500.0 3.476 3.136 2.590 0.000 0.000 -0.000 3/50400 510.0 3.402 3.068 2.534 0.000 0.000 -0.000 3/50400 520.0 3.332 3.004 2.481 0.000 0.000 -0.000 3/50400 530.0 3.265 2.942 2.431 0.000 0.000 -0.000 3/50400 540.0 3.200 2.883 2.382 0.000 0.000 -0.000 3/50400 550.0 3.138 2.826 2.336 0.000 0.000 -0.000 3/50400 560.0 3.078 2.771 2.291 0.000 0.000 -0.000 3/50400 570.0 3.021 2.719 2.248 0.000 0.000 -0.000 3/50400 580.0 2.966 2.669 2.207 0.000 0.000 -0.000 3/50400 590.0 2.913 2.620 2.167 0.000 0.000 -0.000 3/50400 600.0 2.861 2.573 2.128 0.000 0.000 -0.000 3/50400 610.0 2.812 2.528 2.091 0.000 0.000 -0.000 3/50400 620.0 2.764 2.485 2.056 0.000 0.000 -0.000 3/50400 630.0 2.718 2.443 2.021 0.000 0.000 -0.000 3/50400 640.0 2.674 2.402 1.988 0.000 0.000 -0.000 3/50400 650.0 2.631 2.363 1.956 0.000 0.000 -0.000 3/50400 660.0 2.589 2.325 1.925 0.000 0.000 -0.000 3/50400 670.0 2.549 2.289 1.894 0.000 0.000 -0.000 3/50400 680.0 2.510 2.253 1.865 0.000 0.000 -0.000 3/50400 690.0 2.472 2.219 1.837 0.000 0.000 -0.000 3/50400 700.0 2.435 2.185 1.809 0.000 0.000 -0.000 3/50400 710.0 2.400 2.153 1.783 0.000 0.000 -0.000 3/50400 720.0 2.365 2.122 1.757 0.000 0.000 -0.000 3/50400 730.0 2.331 2.091 1.732 0.000 0.000 -0.000 3/50400 740.0 2.299 2.062 1.708 0.000 0.000 -0.000 3/50400 750.0 2.267 2.033 1.684 0.000 0.000 -0.000 3/50400 760.0 2.236 2.005 1.661 0.000 0.000 -0.000 3/50400 770.0 2.206 1.978 1.639 0.000 0.000 -0.000 3/50400 780.0 2.177 1.951 1.617 0.000 0.000 -0.000 3/50400 790.0 2.149 1.926 1.596 0.000 0.000 -0.000 3/50400 800.0 2.121 1.901 1.575 0.000 0.000 -0.000 3/50400 810.0 2.094 1.876 1.555 0.000 0.000 -0.000 3/50400 820.0 2.068 1.853 1.535 0.000 0.000 -0.000 3/50400 830.0 2.042 1.829 1.516 0.000 0.000 -0.000 3/50400 840.0 2.017 1.807 1.498 0.000 0.000 -0.000 3/50400 850.0 1.993 1.785 1.479 0.000 0.000 -0.000 3/50400 860.0 1.969 1.763 1.462 0.000 0.000 -0.000 3/50400 870.0 1.946 1.742 1.444 0.000 0.000 -0.000 3/50400 880.0 1.924 1.722 1.428 0.000 0.000 -0.000 3/50400 890.0 1.901 1.702 1.411 0.000 0.000 -0.000 3/50400 900.0 1.880 1.682 1.395 0.000 0.000 -0.000 3/50400 910.0 1.859 1.663 1.379 0.000 0.000 -0.000 3/50400 920.0 1.838 1.645 1.364 0.000 0.000 -0.000 3/50400 930.0 1.818 1.627 1.349 0.000 0.000 -0.000 3/50400 940.0 1.798 1.609 1.334 0.000 0.000 -0.000 3/50400 950.0 1.779 1.591 1.320 0.000 0.000 -0.000 3/50400 960.0 1.760 1.574 1.306 0.000 0.000 -0.000 3/50400 970.0 1.742 1.558 1.292 0.000 0.000 -0.000 3/50400 980.0 1.723 1.541 1.279 0.000 0.000 -0.000 3/50400 990.0 1.706 1.525 1.265 0.000 0.000 -0.000 3/50400 1000.0 1.688 1.510 1.252 0.000 0.000 -0.000 3/50400 Thermal conductivity related properties were written into "kappa-m1046.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 22:52:18]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|