----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 14:31:19]------------------------- Compiled with OpenMP support (max 48 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.882531185000000 -6.686338090000000 0.000000000000000 b 2.882531185000000 6.686338090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.074578620000000 Atomic positions (fractional): *1 Ba 0.46980441132235 0.53019558867765 0.14077161899115 137.327 *2 Ba 0.23463721908068 0.76536278091932 0.89400503019302 137.327 3 Ba 0.73463721908068 0.26536278091932 0.60599496980698 137.327 4 Ba 0.03019558867765 0.96980441132235 0.64077161899115 137.327 5 Ba 0.96980441132235 0.03019558867765 0.35922838100885 137.327 6 Ba 0.26536278091932 0.73463721908068 0.39400503019302 137.327 7 Ba 0.53019558867765 0.46980441132235 0.85922838100885 137.327 8 Ba 0.76536278091932 0.23463721908068 0.10599496980698 137.327 *9 Ti 0.13652503673147 0.86347496326853 0.15512307596307 47.867 10 Ti 0.36347496326853 0.63652503673147 0.65512307596307 47.867 11 Ti 0.86347496326853 0.13652503673147 0.84487692403693 47.867 12 Ti 0.63652503673147 0.36347496326853 0.34487692403693 47.867 *13 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 14 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 *15 O 0.53502145041065 0.46497854958934 0.65142815570329 15.999 *16 O 0.72940447390812 0.27059552609188 0.84964257593899 15.999 *17 O 0.38355590269813 0.16399558434175 0.46259304852607 15.999 18 O 0.88355590269813 0.66399558434175 0.03740695147393 15.999 *19 O 0.62703489203200 0.87296510796800 0.75000000000000 15.999 20 O 0.12703489203200 0.37296510796800 0.75000000000000 15.999 21 O 0.27059552609188 0.72940447390812 0.15035742406101 15.999 22 O 0.03502145041066 0.96497854958935 0.84857184429671 15.999 23 O 0.37296510796800 0.12703489203200 0.25000000000000 15.999 24 O 0.83600441565825 0.61644409730187 0.46259304852607 15.999 25 O 0.77059552609188 0.22940447390812 0.34964257593899 15.999 26 O 0.46497854958934 0.53502145041065 0.34857184429671 15.999 27 O 0.87296510796800 0.62703489203200 0.25000000000000 15.999 28 O 0.11644409730187 0.33600441565825 0.96259304852607 15.999 29 O 0.61644409730187 0.83600441565825 0.53740695147393 15.999 30 O 0.22940447390812 0.77059552609188 0.65035742406101 15.999 31 O 0.66399558434175 0.88355590269813 0.96259304852607 15.999 32 O 0.16399558434175 0.38355590269813 0.53740695147393 15.999 33 O 0.96497854958935 0.03502145041065 0.15142815570329 15.999 34 O 0.33600441565825 0.11644409730187 0.03740695147393 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.765062370000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.372676179999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.074578620000000 Atomic positions (fractional): *1 Ba 0.50000000000000 0.03019558867765 0.14077161899115 137.327 > 1 *2 Ba 0.50000000000000 0.26536278091932 0.89400503019302 137.327 > 2 3 Ba 0.00000000000000 0.26536278091932 0.60599496980698 137.327 > 3 4 Ba 0.50000000000000 0.46980441132235 0.64077161899115 137.327 > 4 5 Ba 0.00000000000000 0.03019558867765 0.35922838100885 137.327 > 5 6 Ba 0.50000000000000 0.23463721908068 0.39400503019302 137.327 > 6 7 Ba 0.00000000000000 0.46980441132235 0.85922838100885 137.327 > 7 8 Ba 0.00000000000000 0.23463721908068 0.10599496980698 137.327 > 8 9 Ba 0.00000000000000 0.53019558867765 0.14077161899115 137.327 > 1 10 Ba 0.00000000000000 0.76536278091932 0.89400503019302 137.327 > 2 11 Ba 0.50000000000000 0.76536278091932 0.60599496980698 137.327 > 3 12 Ba 0.00000000000000 0.96980441132235 0.64077161899115 137.327 > 4 13 Ba 0.50000000000000 0.53019558867765 0.35922838100885 137.327 > 5 14 Ba 0.00000000000000 0.73463721908068 0.39400503019302 137.327 > 6 15 Ba 0.50000000000000 0.96980441132235 0.85922838100885 137.327 > 7 16 Ba 0.50000000000000 0.73463721908068 0.10599496980698 137.327 > 8 *17 Ti 0.50000000000000 0.36347496326853 0.15512307596307 47.867 > 9 18 Ti 0.50000000000000 0.13652503673147 0.65512307596307 47.867 > 10 19 Ti 0.00000000000000 0.13652503673147 0.84487692403693 47.867 > 11 20 Ti 0.00000000000000 0.36347496326853 0.34487692403693 47.867 > 12 21 Ti 0.00000000000000 0.86347496326853 0.15512307596307 47.867 > 9 22 Ti 0.00000000000000 0.63652503673147 0.65512307596307 47.867 > 10 23 Ti 0.50000000000000 0.63652503673147 0.84487692403693 47.867 > 11 24 Ti 0.50000000000000 0.86347496326853 0.34487692403693 47.867 > 12 *25 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 13 26 Pt 0.50000000000000 0.00000000000000 0.50000000000000 195.084 > 14 27 Pt 0.50000000000000 0.50000000000000 0.00000000000000 195.084 > 13 28 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 14 *29 O 0.00000000000000 0.46497854958934 0.65142815570329 15.999 > 15 *30 O 0.00000000000000 0.27059552609188 0.84964257593899 15.999 > 16 *31 O 0.77377574351994 0.39021984082181 0.46259304852607 15.999 > 17 32 O 0.27377574351994 0.39021984082181 0.03740695147393 15.999 > 18 *33 O 0.75000000000000 0.12296510796800 0.75000000000000 15.999 > 19 34 O 0.25000000000000 0.12296510796800 0.75000000000000 15.999 > 20 35 O 0.50000000000000 0.22940447390812 0.15035742406101 15.999 > 21 36 O 0.50000000000000 0.46497854958934 0.84857184429671 15.999 > 22 37 O 0.75000000000000 0.37703489203200 0.25000000000000 15.999 > 23 38 O 0.22622425648006 0.39021984082181 0.46259304852607 15.999 > 24 39 O 0.00000000000000 0.22940447390812 0.34964257593899 15.999 > 25 40 O 0.50000000000000 0.03502145041065 0.34857184429671 15.999 > 26 41 O 0.25000000000000 0.37703489203200 0.25000000000000 15.999 > 27 42 O 0.22622425648006 0.10978015917819 0.96259304852607 15.999 > 28 43 O 0.72622425648006 0.10978015917819 0.53740695147393 15.999 > 29 44 O 0.50000000000000 0.27059552609188 0.65035742406101 15.999 > 30 45 O 0.77377574351994 0.10978015917819 0.96259304852607 15.999 > 31 46 O 0.27377574351994 0.10978015917819 0.53740695147393 15.999 > 32 47 O 0.00000000000000 0.03502145041065 0.15142815570329 15.999 > 33 48 O 0.72622425648006 0.39021984082181 0.03740695147393 15.999 > 34 49 O 0.50000000000000 0.96497854958935 0.65142815570329 15.999 > 15 50 O 0.50000000000000 0.77059552609188 0.84964257593899 15.999 > 16 51 O 0.27377574351994 0.89021984082181 0.46259304852607 15.999 > 17 52 O 0.77377574351994 0.89021984082181 0.03740695147393 15.999 > 18 53 O 0.25000000000000 0.62296510796800 0.75000000000000 15.999 > 19 54 O 0.75000000000000 0.62296510796800 0.75000000000000 15.999 > 20 55 O 0.00000000000000 0.72940447390812 0.15035742406101 15.999 > 21 56 O 0.00000000000000 0.96497854958935 0.84857184429671 15.999 > 22 57 O 0.25000000000000 0.87703489203200 0.25000000000000 15.999 > 23 58 O 0.72622425648006 0.89021984082181 0.46259304852607 15.999 > 24 59 O 0.50000000000000 0.72940447390812 0.34964257593899 15.999 > 25 60 O 0.00000000000000 0.53502145041065 0.34857184429671 15.999 > 26 61 O 0.75000000000000 0.87703489203200 0.25000000000000 15.999 > 27 62 O 0.72622425648006 0.60978015917819 0.96259304852607 15.999 > 28 63 O 0.22622425648006 0.60978015917819 0.53740695147393 15.999 > 29 64 O 0.00000000000000 0.77059552609188 0.65035742406101 15.999 > 30 65 O 0.27377574351994 0.60978015917819 0.96259304852607 15.999 > 31 66 O 0.77377574351994 0.60978015917819 0.53740695147393 15.999 > 32 67 O 0.50000000000000 0.53502145041065 0.15142815570329 15.999 > 33 68 O 0.22622425648006 0.89021984082181 0.03740695147393 15.999 > 34 -------------------------------- super cell -------------------------------- Lattice vectors: a 11.530124740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.372676179999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.074578620000000 Atomic positions (fractional): *1 Ba 0.25000000000000 0.03019558867765 0.14077161899115 137.327 > 1 2 Ba 0.75000000000000 0.03019558867765 0.14077161899115 137.327 > 1 *3 Ba 0.25000000000000 0.26536278091932 0.89400503019302 137.327 > 2 4 Ba 0.75000000000000 0.26536278091932 0.89400503019302 137.327 > 2 5 Ba 0.00000000000000 0.26536278091932 0.60599496980698 137.327 > 3 6 Ba 0.50000000000000 0.26536278091932 0.60599496980698 137.327 > 3 7 Ba 0.25000000000000 0.46980441132235 0.64077161899115 137.327 > 4 8 Ba 0.75000000000000 0.46980441132235 0.64077161899115 137.327 > 4 9 Ba 0.00000000000000 0.03019558867765 0.35922838100885 137.327 > 5 10 Ba 0.50000000000000 0.03019558867765 0.35922838100885 137.327 > 5 11 Ba 0.25000000000000 0.23463721908068 0.39400503019302 137.327 > 6 12 Ba 0.75000000000000 0.23463721908068 0.39400503019302 137.327 > 6 13 Ba 0.00000000000000 0.46980441132235 0.85922838100885 137.327 > 7 14 Ba 0.50000000000000 0.46980441132235 0.85922838100885 137.327 > 7 15 Ba 0.00000000000000 0.23463721908068 0.10599496980698 137.327 > 8 16 Ba 0.50000000000000 0.23463721908068 0.10599496980698 137.327 > 8 17 Ba 0.00000000000000 0.53019558867765 0.14077161899115 137.327 > 1 18 Ba 0.50000000000000 0.53019558867765 0.14077161899115 137.327 > 1 19 Ba 0.00000000000000 0.76536278091932 0.89400503019302 137.327 > 2 20 Ba 0.50000000000000 0.76536278091932 0.89400503019302 137.327 > 2 21 Ba 0.25000000000000 0.76536278091932 0.60599496980698 137.327 > 3 22 Ba 0.75000000000000 0.76536278091932 0.60599496980698 137.327 > 3 23 Ba 0.00000000000000 0.96980441132235 0.64077161899115 137.327 > 4 24 Ba 0.50000000000000 0.96980441132235 0.64077161899115 137.327 > 4 25 Ba 0.25000000000000 0.53019558867765 0.35922838100885 137.327 > 5 26 Ba 0.75000000000000 0.53019558867765 0.35922838100885 137.327 > 5 27 Ba 0.00000000000000 0.73463721908068 0.39400503019302 137.327 > 6 28 Ba 0.50000000000000 0.73463721908068 0.39400503019302 137.327 > 6 29 Ba 0.25000000000000 0.96980441132235 0.85922838100885 137.327 > 7 30 Ba 0.75000000000000 0.96980441132235 0.85922838100885 137.327 > 7 31 Ba 0.25000000000000 0.73463721908068 0.10599496980698 137.327 > 8 32 Ba 0.75000000000000 0.73463721908068 0.10599496980698 137.327 > 8 *33 Ti 0.25000000000000 0.36347496326853 0.15512307596307 47.867 > 9 34 Ti 0.75000000000000 0.36347496326853 0.15512307596307 47.867 > 9 35 Ti 0.25000000000000 0.13652503673147 0.65512307596307 47.867 > 10 36 Ti 0.75000000000000 0.13652503673147 0.65512307596307 47.867 > 10 37 Ti 0.00000000000000 0.13652503673147 0.84487692403693 47.867 > 11 38 Ti 0.50000000000000 0.13652503673147 0.84487692403693 47.867 > 11 39 Ti 0.00000000000000 0.36347496326853 0.34487692403693 47.867 > 12 40 Ti 0.50000000000000 0.36347496326853 0.34487692403693 47.867 > 12 41 Ti 0.00000000000000 0.86347496326853 0.15512307596307 47.867 > 9 42 Ti 0.50000000000000 0.86347496326853 0.15512307596307 47.867 > 9 43 Ti 0.00000000000000 0.63652503673147 0.65512307596307 47.867 > 10 44 Ti 0.50000000000000 0.63652503673147 0.65512307596307 47.867 > 10 45 Ti 0.25000000000000 0.63652503673147 0.84487692403693 47.867 > 11 46 Ti 0.75000000000000 0.63652503673147 0.84487692403693 47.867 > 11 47 Ti 0.25000000000000 0.86347496326853 0.34487692403693 47.867 > 12 48 Ti 0.75000000000000 0.86347496326853 0.34487692403693 47.867 > 12 *49 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 13 50 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 13 51 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 14 52 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 14 53 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 13 54 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 13 55 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 14 56 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 14 *57 O 0.00000000000000 0.46497854958934 0.65142815570329 15.999 > 15 58 O 0.50000000000000 0.46497854958934 0.65142815570329 15.999 > 15 *59 O 0.00000000000000 0.27059552609188 0.84964257593899 15.999 > 16 60 O 0.50000000000000 0.27059552609188 0.84964257593899 15.999 > 16 *61 O 0.38688787175997 0.39021984082181 0.46259304852607 15.999 > 17 62 O 0.88688787175997 0.39021984082181 0.46259304852607 15.999 > 17 63 O 0.13688787175997 0.39021984082181 0.03740695147393 15.999 > 18 64 O 0.63688787175997 0.39021984082181 0.03740695147393 15.999 > 18 *65 O 0.37500000000000 0.12296510796800 0.75000000000000 15.999 > 19 66 O 0.87500000000000 0.12296510796800 0.75000000000000 15.999 > 19 67 O 0.12500000000000 0.12296510796800 0.75000000000000 15.999 > 20 68 O 0.62500000000000 0.12296510796800 0.75000000000000 15.999 > 20 69 O 0.25000000000000 0.22940447390812 0.15035742406101 15.999 > 21 70 O 0.75000000000000 0.22940447390812 0.15035742406101 15.999 > 21 71 O 0.25000000000000 0.46497854958934 0.84857184429671 15.999 > 22 72 O 0.75000000000000 0.46497854958934 0.84857184429671 15.999 > 22 73 O 0.37500000000000 0.37703489203200 0.25000000000000 15.999 > 23 74 O 0.87500000000000 0.37703489203200 0.25000000000000 15.999 > 23 75 O 0.11311212824003 0.39021984082181 0.46259304852607 15.999 > 24 76 O 0.61311212824003 0.39021984082181 0.46259304852607 15.999 > 24 77 O 0.00000000000000 0.22940447390812 0.34964257593899 15.999 > 25 78 O 0.50000000000000 0.22940447390812 0.34964257593899 15.999 > 25 79 O 0.25000000000000 0.03502145041065 0.34857184429671 15.999 > 26 80 O 0.75000000000000 0.03502145041065 0.34857184429671 15.999 > 26 81 O 0.12500000000000 0.37703489203200 0.25000000000000 15.999 > 27 82 O 0.62500000000000 0.37703489203200 0.25000000000000 15.999 > 27 83 O 0.11311212824003 0.10978015917819 0.96259304852607 15.999 > 28 84 O 0.61311212824003 0.10978015917819 0.96259304852607 15.999 > 28 85 O 0.36311212824003 0.10978015917819 0.53740695147393 15.999 > 29 86 O 0.86311212824003 0.10978015917819 0.53740695147393 15.999 > 29 87 O 0.25000000000000 0.27059552609188 0.65035742406101 15.999 > 30 88 O 0.75000000000000 0.27059552609188 0.65035742406101 15.999 > 30 89 O 0.38688787175997 0.10978015917819 0.96259304852607 15.999 > 31 90 O 0.88688787175997 0.10978015917819 0.96259304852607 15.999 > 31 91 O 0.13688787175997 0.10978015917819 0.53740695147393 15.999 > 32 92 O 0.63688787175997 0.10978015917819 0.53740695147393 15.999 > 32 93 O 0.00000000000000 0.03502145041065 0.15142815570329 15.999 > 33 94 O 0.50000000000000 0.03502145041065 0.15142815570329 15.999 > 33 95 O 0.36311212824003 0.39021984082181 0.03740695147393 15.999 > 34 96 O 0.86311212824003 0.39021984082181 0.03740695147393 15.999 > 34 97 O 0.25000000000000 0.96497854958935 0.65142815570329 15.999 > 15 98 O 0.75000000000000 0.96497854958935 0.65142815570329 15.999 > 15 99 O 0.25000000000000 0.77059552609188 0.84964257593899 15.999 > 16 100 O 0.75000000000000 0.77059552609188 0.84964257593899 15.999 > 16 101 O 0.13688787175997 0.89021984082181 0.46259304852607 15.999 > 17 102 O 0.63688787175997 0.89021984082181 0.46259304852607 15.999 > 17 103 O 0.38688787175997 0.89021984082181 0.03740695147393 15.999 > 18 104 O 0.88688787175997 0.89021984082181 0.03740695147393 15.999 > 18 105 O 0.12500000000000 0.62296510796800 0.75000000000000 15.999 > 19 106 O 0.62500000000000 0.62296510796800 0.75000000000000 15.999 > 19 107 O 0.37500000000000 0.62296510796800 0.75000000000000 15.999 > 20 108 O 0.87500000000000 0.62296510796800 0.75000000000000 15.999 > 20 109 O 0.00000000000000 0.72940447390812 0.15035742406101 15.999 > 21 110 O 0.50000000000000 0.72940447390812 0.15035742406101 15.999 > 21 111 O 0.00000000000000 0.96497854958935 0.84857184429671 15.999 > 22 112 O 0.50000000000000 0.96497854958935 0.84857184429671 15.999 > 22 113 O 0.12500000000000 0.87703489203200 0.25000000000000 15.999 > 23 114 O 0.62500000000000 0.87703489203200 0.25000000000000 15.999 > 23 115 O 0.36311212824003 0.89021984082181 0.46259304852607 15.999 > 24 116 O 0.86311212824003 0.89021984082181 0.46259304852607 15.999 > 24 117 O 0.25000000000000 0.72940447390812 0.34964257593899 15.999 > 25 118 O 0.75000000000000 0.72940447390812 0.34964257593899 15.999 > 25 119 O 0.00000000000000 0.53502145041065 0.34857184429671 15.999 > 26 120 O 0.50000000000000 0.53502145041065 0.34857184429671 15.999 > 26 121 O 0.37500000000000 0.87703489203200 0.25000000000000 15.999 > 27 122 O 0.87500000000000 0.87703489203200 0.25000000000000 15.999 > 27 123 O 0.36311212824003 0.60978015917819 0.96259304852607 15.999 > 28 124 O 0.86311212824003 0.60978015917819 0.96259304852607 15.999 > 28 125 O 0.11311212824003 0.60978015917819 0.53740695147393 15.999 > 29 126 O 0.61311212824003 0.60978015917819 0.53740695147393 15.999 > 29 127 O 0.00000000000000 0.77059552609188 0.65035742406101 15.999 > 30 128 O 0.50000000000000 0.77059552609188 0.65035742406101 15.999 > 30 129 O 0.13688787175997 0.60978015917819 0.96259304852607 15.999 > 31 130 O 0.63688787175997 0.60978015917819 0.96259304852607 15.999 > 31 131 O 0.38688787175997 0.60978015917819 0.53740695147393 15.999 > 32 132 O 0.88688787175997 0.60978015917819 0.53740695147393 15.999 > 32 133 O 0.25000000000000 0.53502145041065 0.15142815570329 15.999 > 33 134 O 0.75000000000000 0.53502145041065 0.15142815570329 15.999 > 33 135 O 0.11311212824003 0.89021984082181 0.03740695147393 15.999 > 34 136 O 0.61311212824003 0.89021984082181 0.03740695147393 15.999 > 34 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8994468 0.0000000 0.0000000 0.0000000 5.1075787 0.0000000 0.0000000 0.0000000 5.2985909 -------------------------- Born effective charges -------------------------- 1 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 -0.0541211 0.0000000 -0.1322577 2.8544312 2 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 0.7676359 0.0000000 0.4512784 2.4961800 3 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 -0.7676359 0.0000000 -0.4512784 2.4961800 4 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 0.0541211 0.0000000 0.1322577 2.8544312 5 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 0.0541211 0.0000000 0.1322577 2.8544312 6 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 -0.7676359 0.0000000 -0.4512784 2.4961800 7 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 -0.0541211 0.0000000 -0.1322577 2.8544312 8 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 0.7676359 0.0000000 0.4512784 2.4961800 9 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 -0.7556201 0.0000000 -0.7681751 5.8475618 10 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 0.7556201 0.0000000 0.7681751 5.8475618 11 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 -0.7556201 0.0000000 -0.7681751 5.8475618 12 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 0.7556201 0.0000000 0.7681751 5.8475618 13 Pt 1.2541602 0.0000000 -0.0000000 -0.0000000 1.9177678 -0.0530364 0.0000000 -0.5710655 1.8318798 14 Pt 1.2541602 0.0000000 -0.0000000 -0.0000000 1.9177678 0.0530364 0.0000000 0.5710655 1.8318798 15 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 0.1929347 0.0000000 0.1156280 -2.9093127 16 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 -0.0781780 0.0000000 -0.1857166 -1.5264238 17 O -2.1652667 -0.3967546 0.0459523 -0.4827210 -2.1116669 -0.2210904 0.0624688 -0.6284885 -2.1086564 18 O -2.1652667 -0.3967546 -0.0459523 -0.4827210 -2.1116669 0.2210904 -0.0624688 0.6284885 -2.1086564 19 O -4.0782092 0.0000000 -2.0740167 -0.0000000 -1.3259432 0.0000000 -1.9543011 0.0000000 -3.4610637 20 O -4.0782092 0.0000000 2.0740167 -0.0000000 -1.3259432 0.0000000 1.9543011 0.0000000 -3.4610637 21 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 -0.0781780 0.0000000 -0.1857166 -1.5264238 22 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 -0.1929347 0.0000000 -0.1156280 -2.9093127 23 O -4.0782092 0.0000000 -2.0740167 -0.0000000 -1.3259432 0.0000000 -1.9543011 0.0000000 -3.4610637 24 O -2.1652667 0.3967546 -0.0459523 0.4827210 -2.1116669 -0.2210904 -0.0624688 -0.6284885 -2.1086564 25 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 0.0781780 0.0000000 0.1857166 -1.5264238 26 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 0.1929347 0.0000000 0.1156280 -2.9093127 27 O -4.0782092 0.0000000 2.0740167 -0.0000000 -1.3259432 0.0000000 1.9543011 0.0000000 -3.4610637 28 O -2.1652667 -0.3967546 -0.0459523 -0.4827210 -2.1116669 0.2210904 -0.0624688 0.6284885 -2.1086564 29 O -2.1652667 -0.3967546 0.0459523 -0.4827210 -2.1116669 -0.2210904 0.0624688 -0.6284885 -2.1086564 30 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 0.0781780 0.0000000 0.1857166 -1.5264238 31 O -2.1652667 0.3967546 0.0459523 0.4827210 -2.1116669 0.2210904 0.0624688 0.6284885 -2.1086564 32 O -2.1652667 0.3967546 -0.0459523 0.4827210 -2.1116669 -0.2210904 -0.0624688 -0.6284885 -2.1086564 33 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 -0.1929347 0.0000000 -0.1156280 -2.9093127 34 O -2.1652667 0.3967546 0.0459523 0.4827210 -2.1116669 0.2210904 0.0624688 0.6284885 -2.1086564 ---------------------------------------------------------------------------- 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: 408/408 Permutation basis: 25266/25266 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 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: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 185 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 13), data: (698, 27) @ (27, 13) |-- (198, 185), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 136 / 136 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 560 - Time: 0.818 Solver_block: 200 / 560 - Time: 0.722 Solver_block: 300 / 560 - Time: 0.719 Solver_block: 400 / 560 - Time: 0.720 Solver_block: 500 / 560 - Time: 0.717 Solver_block: 560 / 560 - Time: 0.490 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.305 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 408/408 Permutation basis: 25266/25266 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2822 Number of blocks in projector: 2822 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: 698 Use submatrix version of eigh solver. (1) Block: 500 / 698 (2) Block: 250 / 500 (2) 236 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 486 eigenvectors found. (1) Block: 698 / 698 (1) 185 eigenvectors found. (1) Complementary block size: 27 (1) Compute compressed projector. (1) Use standard solver. (1) 13 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 460 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 452 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 404 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 404 Use standard eigh solver. Tree of FC basis block matrices: - (2822, 2778), data: False |-- (404, 396), data: True |-- (404, 396), data: True |-- (404, 396), data: True |-- (452, 450), data: True |-- (460, 456), data: True |-- (698, 684), data: False |-- (698, 13), data: (698, 27) @ (27, 13) |-- (198, 185), data: True |-- (500, 486), data: False |-- (500, 14), data: (500, 28) @ (28, 14) |-- (250, 236), data: True |-- (250, 236), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 14:31:47]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:31:47]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.882531185000000 -6.686338090000000 0.000000000000000 b 2.882531185000000 6.686338090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.074578620000000 Atomic positions (fractional): 1 Ba 0.46980441132235 0.53019558867765 0.14077161899115 137.327 2 Ba 0.23463721908068 0.76536278091932 0.89400503019302 137.327 3 Ba 0.73463721908068 0.26536278091932 0.60599496980698 137.327 4 Ba 0.03019558867765 0.96980441132235 0.64077161899115 137.327 5 Ba 0.96980441132235 0.03019558867765 0.35922838100885 137.327 6 Ba 0.26536278091932 0.73463721908068 0.39400503019302 137.327 7 Ba 0.53019558867765 0.46980441132235 0.85922838100885 137.327 8 Ba 0.76536278091932 0.23463721908068 0.10599496980698 137.327 9 Ti 0.13652503673147 0.86347496326853 0.15512307596307 47.867 10 Ti 0.36347496326853 0.63652503673147 0.65512307596307 47.867 11 Ti 0.86347496326853 0.13652503673147 0.84487692403693 47.867 12 Ti 0.63652503673147 0.36347496326853 0.34487692403693 47.867 13 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 14 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 15 O 0.53502145041065 0.46497854958934 0.65142815570329 15.999 16 O 0.72940447390812 0.27059552609188 0.84964257593899 15.999 17 O 0.38355590269813 0.16399558434175 0.46259304852607 15.999 18 O 0.88355590269813 0.66399558434175 0.03740695147393 15.999 19 O 0.62703489203200 0.87296510796800 0.75000000000000 15.999 20 O 0.12703489203200 0.37296510796800 0.75000000000000 15.999 21 O 0.27059552609188 0.72940447390812 0.15035742406101 15.999 22 O 0.03502145041066 0.96497854958935 0.84857184429671 15.999 23 O 0.37296510796800 0.12703489203200 0.25000000000000 15.999 24 O 0.83600441565825 0.61644409730187 0.46259304852607 15.999 25 O 0.77059552609188 0.22940447390812 0.34964257593899 15.999 26 O 0.46497854958934 0.53502145041065 0.34857184429671 15.999 27 O 0.87296510796800 0.62703489203200 0.25000000000000 15.999 28 O 0.11644409730187 0.33600441565825 0.96259304852607 15.999 29 O 0.61644409730187 0.83600441565825 0.53740695147393 15.999 30 O 0.22940447390812 0.77059552609188 0.65035742406101 15.999 31 O 0.66399558434175 0.88355590269813 0.96259304852607 15.999 32 O 0.16399558434175 0.38355590269813 0.53740695147393 15.999 33 O 0.96497854958935 0.03502145041065 0.15142815570329 15.999 34 O 0.33600441565825 0.11644409730187 0.03740695147393 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.530124740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.372676179999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.074578620000000 Atomic positions (fractional): 1 Ba 0.25000000000000 0.03019558867765 0.14077161899115 137.327 > 1 2 Ba 0.75000000000000 0.03019558867765 0.14077161899115 137.327 > 1 3 Ba 0.25000000000000 0.26536278091932 0.89400503019302 137.327 > 3 4 Ba 0.75000000000000 0.26536278091932 0.89400503019302 137.327 > 3 5 Ba 0.00000000000000 0.26536278091932 0.60599496980698 137.327 > 5 6 Ba 0.50000000000000 0.26536278091932 0.60599496980698 137.327 > 5 7 Ba 0.25000000000000 0.46980441132235 0.64077161899115 137.327 > 7 8 Ba 0.75000000000000 0.46980441132235 0.64077161899115 137.327 > 7 9 Ba 0.00000000000000 0.03019558867765 0.35922838100885 137.327 > 9 10 Ba 0.50000000000000 0.03019558867765 0.35922838100885 137.327 > 9 11 Ba 0.25000000000000 0.23463721908068 0.39400503019302 137.327 > 11 12 Ba 0.75000000000000 0.23463721908068 0.39400503019302 137.327 > 11 13 Ba 0.00000000000000 0.46980441132235 0.85922838100885 137.327 > 13 14 Ba 0.50000000000000 0.46980441132235 0.85922838100885 137.327 > 13 15 Ba 0.00000000000000 0.23463721908068 0.10599496980698 137.327 > 15 16 Ba 0.50000000000000 0.23463721908068 0.10599496980698 137.327 > 15 17 Ba 0.00000000000000 0.53019558867765 0.14077161899115 137.327 > 1 18 Ba 0.50000000000000 0.53019558867765 0.14077161899115 137.327 > 1 19 Ba 0.00000000000000 0.76536278091932 0.89400503019302 137.327 > 3 20 Ba 0.50000000000000 0.76536278091932 0.89400503019302 137.327 > 3 21 Ba 0.25000000000000 0.76536278091932 0.60599496980698 137.327 > 5 22 Ba 0.75000000000000 0.76536278091932 0.60599496980698 137.327 > 5 23 Ba 0.00000000000000 0.96980441132235 0.64077161899115 137.327 > 7 24 Ba 0.50000000000000 0.96980441132235 0.64077161899115 137.327 > 7 25 Ba 0.25000000000000 0.53019558867765 0.35922838100885 137.327 > 9 26 Ba 0.75000000000000 0.53019558867765 0.35922838100885 137.327 > 9 27 Ba 0.00000000000000 0.73463721908068 0.39400503019302 137.327 > 11 28 Ba 0.50000000000000 0.73463721908068 0.39400503019302 137.327 > 11 29 Ba 0.25000000000000 0.96980441132235 0.85922838100885 137.327 > 13 30 Ba 0.75000000000000 0.96980441132235 0.85922838100885 137.327 > 13 31 Ba 0.25000000000000 0.73463721908068 0.10599496980698 137.327 > 15 32 Ba 0.75000000000000 0.73463721908068 0.10599496980698 137.327 > 15 33 Ti 0.25000000000000 0.36347496326853 0.15512307596307 47.867 > 33 34 Ti 0.75000000000000 0.36347496326853 0.15512307596307 47.867 > 33 35 Ti 0.25000000000000 0.13652503673147 0.65512307596307 47.867 > 35 36 Ti 0.75000000000000 0.13652503673147 0.65512307596307 47.867 > 35 37 Ti 0.00000000000000 0.13652503673147 0.84487692403693 47.867 > 37 38 Ti 0.50000000000000 0.13652503673147 0.84487692403693 47.867 > 37 39 Ti 0.00000000000000 0.36347496326853 0.34487692403693 47.867 > 39 40 Ti 0.50000000000000 0.36347496326853 0.34487692403693 47.867 > 39 41 Ti 0.00000000000000 0.86347496326853 0.15512307596307 47.867 > 33 42 Ti 0.50000000000000 0.86347496326853 0.15512307596307 47.867 > 33 43 Ti 0.00000000000000 0.63652503673147 0.65512307596307 47.867 > 35 44 Ti 0.50000000000000 0.63652503673147 0.65512307596307 47.867 > 35 45 Ti 0.25000000000000 0.63652503673147 0.84487692403693 47.867 > 37 46 Ti 0.75000000000000 0.63652503673147 0.84487692403693 47.867 > 37 47 Ti 0.25000000000000 0.86347496326853 0.34487692403693 47.867 > 39 48 Ti 0.75000000000000 0.86347496326853 0.34487692403693 47.867 > 39 49 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 49 50 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 49 51 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 51 52 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 51 53 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 49 54 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 49 55 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 51 56 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 51 57 O 0.00000000000000 0.46497854958934 0.65142815570329 15.999 > 57 58 O 0.50000000000000 0.46497854958934 0.65142815570329 15.999 > 57 59 O 0.00000000000000 0.27059552609188 0.84964257593899 15.999 > 59 60 O 0.50000000000000 0.27059552609188 0.84964257593899 15.999 > 59 61 O 0.38688787175997 0.39021984082181 0.46259304852607 15.999 > 61 62 O 0.88688787175997 0.39021984082181 0.46259304852607 15.999 > 61 63 O 0.13688787175997 0.39021984082181 0.03740695147393 15.999 > 63 64 O 0.63688787175997 0.39021984082181 0.03740695147393 15.999 > 63 65 O 0.37500000000000 0.12296510796800 0.75000000000000 15.999 > 65 66 O 0.87500000000000 0.12296510796800 0.75000000000000 15.999 > 65 67 O 0.12500000000000 0.12296510796800 0.75000000000000 15.999 > 67 68 O 0.62500000000000 0.12296510796800 0.75000000000000 15.999 > 67 69 O 0.25000000000000 0.22940447390812 0.15035742406101 15.999 > 69 70 O 0.75000000000000 0.22940447390812 0.15035742406101 15.999 > 69 71 O 0.25000000000000 0.46497854958934 0.84857184429671 15.999 > 71 72 O 0.75000000000000 0.46497854958934 0.84857184429671 15.999 > 71 73 O 0.37500000000000 0.37703489203200 0.25000000000000 15.999 > 73 74 O 0.87500000000000 0.37703489203200 0.25000000000000 15.999 > 73 75 O 0.11311212824003 0.39021984082181 0.46259304852607 15.999 > 75 76 O 0.61311212824003 0.39021984082181 0.46259304852607 15.999 > 75 77 O 0.00000000000000 0.22940447390812 0.34964257593899 15.999 > 77 78 O 0.50000000000000 0.22940447390812 0.34964257593899 15.999 > 77 79 O 0.25000000000000 0.03502145041065 0.34857184429671 15.999 > 79 80 O 0.75000000000000 0.03502145041065 0.34857184429671 15.999 > 79 81 O 0.12500000000000 0.37703489203200 0.25000000000000 15.999 > 81 82 O 0.62500000000000 0.37703489203200 0.25000000000000 15.999 > 81 83 O 0.11311212824003 0.10978015917819 0.96259304852607 15.999 > 83 84 O 0.61311212824003 0.10978015917819 0.96259304852607 15.999 > 83 85 O 0.36311212824003 0.10978015917819 0.53740695147393 15.999 > 85 86 O 0.86311212824003 0.10978015917819 0.53740695147393 15.999 > 85 87 O 0.25000000000000 0.27059552609188 0.65035742406101 15.999 > 87 88 O 0.75000000000000 0.27059552609188 0.65035742406101 15.999 > 87 89 O 0.38688787175997 0.10978015917819 0.96259304852607 15.999 > 89 90 O 0.88688787175997 0.10978015917819 0.96259304852607 15.999 > 89 91 O 0.13688787175997 0.10978015917819 0.53740695147393 15.999 > 91 92 O 0.63688787175997 0.10978015917819 0.53740695147393 15.999 > 91 93 O 0.00000000000000 0.03502145041065 0.15142815570329 15.999 > 93 94 O 0.50000000000000 0.03502145041065 0.15142815570329 15.999 > 93 95 O 0.36311212824003 0.39021984082181 0.03740695147393 15.999 > 95 96 O 0.86311212824003 0.39021984082181 0.03740695147393 15.999 > 95 97 O 0.25000000000000 0.96497854958935 0.65142815570329 15.999 > 57 98 O 0.75000000000000 0.96497854958935 0.65142815570329 15.999 > 57 99 O 0.25000000000000 0.77059552609188 0.84964257593899 15.999 > 59 100 O 0.75000000000000 0.77059552609188 0.84964257593899 15.999 > 59 101 O 0.13688787175997 0.89021984082181 0.46259304852607 15.999 > 61 102 O 0.63688787175997 0.89021984082181 0.46259304852607 15.999 > 61 103 O 0.38688787175997 0.89021984082181 0.03740695147393 15.999 > 63 104 O 0.88688787175997 0.89021984082181 0.03740695147393 15.999 > 63 105 O 0.12500000000000 0.62296510796800 0.75000000000000 15.999 > 65 106 O 0.62500000000000 0.62296510796800 0.75000000000000 15.999 > 65 107 O 0.37500000000000 0.62296510796800 0.75000000000000 15.999 > 67 108 O 0.87500000000000 0.62296510796800 0.75000000000000 15.999 > 67 109 O 0.00000000000000 0.72940447390812 0.15035742406101 15.999 > 69 110 O 0.50000000000000 0.72940447390812 0.15035742406101 15.999 > 69 111 O 0.00000000000000 0.96497854958935 0.84857184429671 15.999 > 71 112 O 0.50000000000000 0.96497854958935 0.84857184429671 15.999 > 71 113 O 0.12500000000000 0.87703489203200 0.25000000000000 15.999 > 73 114 O 0.62500000000000 0.87703489203200 0.25000000000000 15.999 > 73 115 O 0.36311212824003 0.89021984082181 0.46259304852607 15.999 > 75 116 O 0.86311212824003 0.89021984082181 0.46259304852607 15.999 > 75 117 O 0.25000000000000 0.72940447390812 0.34964257593899 15.999 > 77 118 O 0.75000000000000 0.72940447390812 0.34964257593899 15.999 > 77 119 O 0.00000000000000 0.53502145041065 0.34857184429671 15.999 > 79 120 O 0.50000000000000 0.53502145041065 0.34857184429671 15.999 > 79 121 O 0.37500000000000 0.87703489203200 0.25000000000000 15.999 > 81 122 O 0.87500000000000 0.87703489203200 0.25000000000000 15.999 > 81 123 O 0.36311212824003 0.60978015917819 0.96259304852607 15.999 > 83 124 O 0.86311212824003 0.60978015917819 0.96259304852607 15.999 > 83 125 O 0.11311212824003 0.60978015917819 0.53740695147393 15.999 > 85 126 O 0.61311212824003 0.60978015917819 0.53740695147393 15.999 > 85 127 O 0.00000000000000 0.77059552609188 0.65035742406101 15.999 > 87 128 O 0.50000000000000 0.77059552609188 0.65035742406101 15.999 > 87 129 O 0.13688787175997 0.60978015917819 0.96259304852607 15.999 > 89 130 O 0.63688787175997 0.60978015917819 0.96259304852607 15.999 > 89 131 O 0.38688787175997 0.60978015917819 0.53740695147393 15.999 > 91 132 O 0.88688787175997 0.60978015917819 0.53740695147393 15.999 > 91 133 O 0.25000000000000 0.53502145041065 0.15142815570329 15.999 > 93 134 O 0.75000000000000 0.53502145041065 0.15142815570329 15.999 > 93 135 O 0.11311212824003 0.89021984082181 0.03740695147393 15.999 > 95 136 O 0.61311212824003 0.89021984082181 0.03740695147393 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8994468 0.0000000 0.0000000 0.0000000 5.1075787 0.0000000 0.0000000 0.0000000 5.2985909 -------------------------- Born effective charges -------------------------- 1 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 -0.0541211 0.0000000 -0.1322577 2.8544312 2 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 0.7676359 0.0000000 0.4512784 2.4961800 3 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 -0.7676359 0.0000000 -0.4512784 2.4961800 4 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 0.0541211 0.0000000 0.1322577 2.8544312 5 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 0.0541211 0.0000000 0.1322577 2.8544312 6 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 -0.7676359 0.0000000 -0.4512784 2.4961800 7 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 -0.0541211 0.0000000 -0.1322577 2.8544312 8 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 0.7676359 0.0000000 0.4512784 2.4961800 9 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 -0.7556201 0.0000000 -0.7681751 5.8475618 10 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 0.7556201 0.0000000 0.7681751 5.8475618 11 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 -0.7556201 0.0000000 -0.7681751 5.8475618 12 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 0.7556201 0.0000000 0.7681751 5.8475618 13 Pt 1.2541602 0.0000000 -0.0000000 -0.0000000 1.9177678 -0.0530364 0.0000000 -0.5710655 1.8318798 14 Pt 1.2541602 0.0000000 -0.0000000 -0.0000000 1.9177678 0.0530364 0.0000000 0.5710655 1.8318798 15 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 0.1929347 0.0000000 0.1156280 -2.9093127 16 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 -0.0781780 0.0000000 -0.1857166 -1.5264238 17 O -2.1652667 -0.3967546 0.0459523 -0.4827210 -2.1116669 -0.2210904 0.0624688 -0.6284885 -2.1086564 18 O -2.1652667 -0.3967546 -0.0459523 -0.4827210 -2.1116669 0.2210904 -0.0624688 0.6284885 -2.1086564 19 O -4.0782092 0.0000000 -2.0740167 -0.0000000 -1.3259432 0.0000000 -1.9543011 0.0000000 -3.4610637 20 O -4.0782092 0.0000000 2.0740167 -0.0000000 -1.3259432 0.0000000 1.9543011 0.0000000 -3.4610637 21 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 -0.0781780 0.0000000 -0.1857166 -1.5264238 22 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 -0.1929347 0.0000000 -0.1156280 -2.9093127 23 O -4.0782092 0.0000000 -2.0740167 -0.0000000 -1.3259432 0.0000000 -1.9543011 0.0000000 -3.4610637 24 O -2.1652667 0.3967546 -0.0459523 0.4827210 -2.1116669 -0.2210904 -0.0624688 -0.6284885 -2.1086564 25 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 0.0781780 0.0000000 0.1857166 -1.5264238 26 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 0.1929347 0.0000000 0.1156280 -2.9093127 27 O -4.0782092 0.0000000 2.0740167 -0.0000000 -1.3259432 0.0000000 1.9543011 0.0000000 -3.4610637 28 O -2.1652667 -0.3967546 -0.0459523 -0.4827210 -2.1116669 0.2210904 -0.0624688 0.6284885 -2.1086564 29 O -2.1652667 -0.3967546 0.0459523 -0.4827210 -2.1116669 -0.2210904 0.0624688 -0.6284885 -2.1086564 30 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 0.0781780 0.0000000 0.1857166 -1.5264238 31 O -2.1652667 0.3967546 0.0459523 0.4827210 -2.1116669 0.2210904 0.0624688 0.6284885 -2.1086564 32 O -2.1652667 0.3967546 -0.0459523 0.4827210 -2.1116669 -0.2210904 -0.0624688 -0.6284885 -2.1086564 33 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 -0.1929347 0.0000000 -0.1156280 -2.9093127 34 O -2.1652667 0.3967546 0.0459523 0.4827210 -2.1116669 0.2210904 0.0624688 0.6284885 -2.1086564 ---------------------------------------------------------------------------- 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[ 3, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 59, 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[ 61, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (zy) 0.00000000 (zy) 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 14:32:20]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 14:32:20]------------------------- Compiled with OpenMP support (max 48 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 1] Primitive matrix: [0.5 0.5 0. ] [-0.5 0.5 0. ] [0. 0. 1.] Spacegroup: Cmce (64) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 2.882531185000000 -6.686338090000000 0.000000000000000 b 2.882531185000000 6.686338090000000 0.000000000000000 c 0.000000000000000 0.000000000000000 13.074578620000000 Atomic positions (fractional): 1 Ba 0.46980441132235 0.53019558867765 0.14077161899115 137.327 2 Ba 0.23463721908068 0.76536278091932 0.89400503019302 137.327 3 Ba 0.73463721908068 0.26536278091932 0.60599496980698 137.327 4 Ba 0.03019558867765 0.96980441132235 0.64077161899115 137.327 5 Ba 0.96980441132235 0.03019558867765 0.35922838100885 137.327 6 Ba 0.26536278091932 0.73463721908068 0.39400503019302 137.327 7 Ba 0.53019558867765 0.46980441132235 0.85922838100885 137.327 8 Ba 0.76536278091932 0.23463721908068 0.10599496980698 137.327 9 Ti 0.13652503673147 0.86347496326853 0.15512307596307 47.867 10 Ti 0.36347496326853 0.63652503673147 0.65512307596307 47.867 11 Ti 0.86347496326853 0.13652503673147 0.84487692403693 47.867 12 Ti 0.63652503673147 0.36347496326853 0.34487692403693 47.867 13 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 14 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 15 O 0.53502145041065 0.46497854958934 0.65142815570329 15.999 16 O 0.72940447390812 0.27059552609188 0.84964257593899 15.999 17 O 0.38355590269813 0.16399558434175 0.46259304852607 15.999 18 O 0.88355590269813 0.66399558434175 0.03740695147393 15.999 19 O 0.62703489203200 0.87296510796800 0.75000000000000 15.999 20 O 0.12703489203200 0.37296510796800 0.75000000000000 15.999 21 O 0.27059552609188 0.72940447390812 0.15035742406101 15.999 22 O 0.03502145041066 0.96497854958935 0.84857184429671 15.999 23 O 0.37296510796800 0.12703489203200 0.25000000000000 15.999 24 O 0.83600441565825 0.61644409730187 0.46259304852607 15.999 25 O 0.77059552609188 0.22940447390812 0.34964257593899 15.999 26 O 0.46497854958934 0.53502145041065 0.34857184429671 15.999 27 O 0.87296510796800 0.62703489203200 0.25000000000000 15.999 28 O 0.11644409730187 0.33600441565825 0.96259304852607 15.999 29 O 0.61644409730187 0.83600441565825 0.53740695147393 15.999 30 O 0.22940447390812 0.77059552609188 0.65035742406101 15.999 31 O 0.66399558434175 0.88355590269813 0.96259304852607 15.999 32 O 0.16399558434175 0.38355590269813 0.53740695147393 15.999 33 O 0.96497854958935 0.03502145041065 0.15142815570329 15.999 34 O 0.33600441565825 0.11644409730187 0.03740695147393 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 11.530124740000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.372676179999999 0.000000000000000 c 0.000000000000000 0.000000000000000 13.074578620000000 Atomic positions (fractional): 1 Ba 0.25000000000000 0.03019558867765 0.14077161899115 137.327 > 1 2 Ba 0.75000000000000 0.03019558867765 0.14077161899115 137.327 > 1 3 Ba 0.25000000000000 0.26536278091932 0.89400503019302 137.327 > 3 4 Ba 0.75000000000000 0.26536278091932 0.89400503019302 137.327 > 3 5 Ba 0.00000000000000 0.26536278091932 0.60599496980698 137.327 > 5 6 Ba 0.50000000000000 0.26536278091932 0.60599496980698 137.327 > 5 7 Ba 0.25000000000000 0.46980441132235 0.64077161899115 137.327 > 7 8 Ba 0.75000000000000 0.46980441132235 0.64077161899115 137.327 > 7 9 Ba 0.00000000000000 0.03019558867765 0.35922838100885 137.327 > 9 10 Ba 0.50000000000000 0.03019558867765 0.35922838100885 137.327 > 9 11 Ba 0.25000000000000 0.23463721908068 0.39400503019302 137.327 > 11 12 Ba 0.75000000000000 0.23463721908068 0.39400503019302 137.327 > 11 13 Ba 0.00000000000000 0.46980441132235 0.85922838100885 137.327 > 13 14 Ba 0.50000000000000 0.46980441132235 0.85922838100885 137.327 > 13 15 Ba 0.00000000000000 0.23463721908068 0.10599496980698 137.327 > 15 16 Ba 0.50000000000000 0.23463721908068 0.10599496980698 137.327 > 15 17 Ba 0.00000000000000 0.53019558867765 0.14077161899115 137.327 > 1 18 Ba 0.50000000000000 0.53019558867765 0.14077161899115 137.327 > 1 19 Ba 0.00000000000000 0.76536278091932 0.89400503019302 137.327 > 3 20 Ba 0.50000000000000 0.76536278091932 0.89400503019302 137.327 > 3 21 Ba 0.25000000000000 0.76536278091932 0.60599496980698 137.327 > 5 22 Ba 0.75000000000000 0.76536278091932 0.60599496980698 137.327 > 5 23 Ba 0.00000000000000 0.96980441132235 0.64077161899115 137.327 > 7 24 Ba 0.50000000000000 0.96980441132235 0.64077161899115 137.327 > 7 25 Ba 0.25000000000000 0.53019558867765 0.35922838100885 137.327 > 9 26 Ba 0.75000000000000 0.53019558867765 0.35922838100885 137.327 > 9 27 Ba 0.00000000000000 0.73463721908068 0.39400503019302 137.327 > 11 28 Ba 0.50000000000000 0.73463721908068 0.39400503019302 137.327 > 11 29 Ba 0.25000000000000 0.96980441132235 0.85922838100885 137.327 > 13 30 Ba 0.75000000000000 0.96980441132235 0.85922838100885 137.327 > 13 31 Ba 0.25000000000000 0.73463721908068 0.10599496980698 137.327 > 15 32 Ba 0.75000000000000 0.73463721908068 0.10599496980698 137.327 > 15 33 Ti 0.25000000000000 0.36347496326853 0.15512307596307 47.867 > 33 34 Ti 0.75000000000000 0.36347496326853 0.15512307596307 47.867 > 33 35 Ti 0.25000000000000 0.13652503673147 0.65512307596307 47.867 > 35 36 Ti 0.75000000000000 0.13652503673147 0.65512307596307 47.867 > 35 37 Ti 0.00000000000000 0.13652503673147 0.84487692403693 47.867 > 37 38 Ti 0.50000000000000 0.13652503673147 0.84487692403693 47.867 > 37 39 Ti 0.00000000000000 0.36347496326853 0.34487692403693 47.867 > 39 40 Ti 0.50000000000000 0.36347496326853 0.34487692403693 47.867 > 39 41 Ti 0.00000000000000 0.86347496326853 0.15512307596307 47.867 > 33 42 Ti 0.50000000000000 0.86347496326853 0.15512307596307 47.867 > 33 43 Ti 0.00000000000000 0.63652503673147 0.65512307596307 47.867 > 35 44 Ti 0.50000000000000 0.63652503673147 0.65512307596307 47.867 > 35 45 Ti 0.25000000000000 0.63652503673147 0.84487692403693 47.867 > 37 46 Ti 0.75000000000000 0.63652503673147 0.84487692403693 47.867 > 37 47 Ti 0.25000000000000 0.86347496326853 0.34487692403693 47.867 > 39 48 Ti 0.75000000000000 0.86347496326853 0.34487692403693 47.867 > 39 49 Pt 0.00000000000000 0.00000000000000 0.00000000000000 195.084 > 49 50 Pt 0.50000000000000 0.00000000000000 0.00000000000000 195.084 > 49 51 Pt 0.25000000000000 0.00000000000000 0.50000000000000 195.084 > 51 52 Pt 0.75000000000000 0.00000000000000 0.50000000000000 195.084 > 51 53 Pt 0.25000000000000 0.50000000000000 0.00000000000000 195.084 > 49 54 Pt 0.75000000000000 0.50000000000000 0.00000000000000 195.084 > 49 55 Pt 0.00000000000000 0.50000000000000 0.50000000000000 195.084 > 51 56 Pt 0.50000000000000 0.50000000000000 0.50000000000000 195.084 > 51 57 O 0.00000000000000 0.46497854958934 0.65142815570329 15.999 > 57 58 O 0.50000000000000 0.46497854958934 0.65142815570329 15.999 > 57 59 O 0.00000000000000 0.27059552609188 0.84964257593899 15.999 > 59 60 O 0.50000000000000 0.27059552609188 0.84964257593899 15.999 > 59 61 O 0.38688787175997 0.39021984082181 0.46259304852607 15.999 > 61 62 O 0.88688787175997 0.39021984082181 0.46259304852607 15.999 > 61 63 O 0.13688787175997 0.39021984082181 0.03740695147393 15.999 > 63 64 O 0.63688787175997 0.39021984082181 0.03740695147393 15.999 > 63 65 O 0.37500000000000 0.12296510796800 0.75000000000000 15.999 > 65 66 O 0.87500000000000 0.12296510796800 0.75000000000000 15.999 > 65 67 O 0.12500000000000 0.12296510796800 0.75000000000000 15.999 > 67 68 O 0.62500000000000 0.12296510796800 0.75000000000000 15.999 > 67 69 O 0.25000000000000 0.22940447390812 0.15035742406101 15.999 > 69 70 O 0.75000000000000 0.22940447390812 0.15035742406101 15.999 > 69 71 O 0.25000000000000 0.46497854958934 0.84857184429671 15.999 > 71 72 O 0.75000000000000 0.46497854958934 0.84857184429671 15.999 > 71 73 O 0.37500000000000 0.37703489203200 0.25000000000000 15.999 > 73 74 O 0.87500000000000 0.37703489203200 0.25000000000000 15.999 > 73 75 O 0.11311212824003 0.39021984082181 0.46259304852607 15.999 > 75 76 O 0.61311212824003 0.39021984082181 0.46259304852607 15.999 > 75 77 O 0.00000000000000 0.22940447390812 0.34964257593899 15.999 > 77 78 O 0.50000000000000 0.22940447390812 0.34964257593899 15.999 > 77 79 O 0.25000000000000 0.03502145041065 0.34857184429671 15.999 > 79 80 O 0.75000000000000 0.03502145041065 0.34857184429671 15.999 > 79 81 O 0.12500000000000 0.37703489203200 0.25000000000000 15.999 > 81 82 O 0.62500000000000 0.37703489203200 0.25000000000000 15.999 > 81 83 O 0.11311212824003 0.10978015917819 0.96259304852607 15.999 > 83 84 O 0.61311212824003 0.10978015917819 0.96259304852607 15.999 > 83 85 O 0.36311212824003 0.10978015917819 0.53740695147393 15.999 > 85 86 O 0.86311212824003 0.10978015917819 0.53740695147393 15.999 > 85 87 O 0.25000000000000 0.27059552609188 0.65035742406101 15.999 > 87 88 O 0.75000000000000 0.27059552609188 0.65035742406101 15.999 > 87 89 O 0.38688787175997 0.10978015917819 0.96259304852607 15.999 > 89 90 O 0.88688787175997 0.10978015917819 0.96259304852607 15.999 > 89 91 O 0.13688787175997 0.10978015917819 0.53740695147393 15.999 > 91 92 O 0.63688787175997 0.10978015917819 0.53740695147393 15.999 > 91 93 O 0.00000000000000 0.03502145041065 0.15142815570329 15.999 > 93 94 O 0.50000000000000 0.03502145041065 0.15142815570329 15.999 > 93 95 O 0.36311212824003 0.39021984082181 0.03740695147393 15.999 > 95 96 O 0.86311212824003 0.39021984082181 0.03740695147393 15.999 > 95 97 O 0.25000000000000 0.96497854958935 0.65142815570329 15.999 > 57 98 O 0.75000000000000 0.96497854958935 0.65142815570329 15.999 > 57 99 O 0.25000000000000 0.77059552609188 0.84964257593899 15.999 > 59 100 O 0.75000000000000 0.77059552609188 0.84964257593899 15.999 > 59 101 O 0.13688787175997 0.89021984082181 0.46259304852607 15.999 > 61 102 O 0.63688787175997 0.89021984082181 0.46259304852607 15.999 > 61 103 O 0.38688787175997 0.89021984082181 0.03740695147393 15.999 > 63 104 O 0.88688787175997 0.89021984082181 0.03740695147393 15.999 > 63 105 O 0.12500000000000 0.62296510796800 0.75000000000000 15.999 > 65 106 O 0.62500000000000 0.62296510796800 0.75000000000000 15.999 > 65 107 O 0.37500000000000 0.62296510796800 0.75000000000000 15.999 > 67 108 O 0.87500000000000 0.62296510796800 0.75000000000000 15.999 > 67 109 O 0.00000000000000 0.72940447390812 0.15035742406101 15.999 > 69 110 O 0.50000000000000 0.72940447390812 0.15035742406101 15.999 > 69 111 O 0.00000000000000 0.96497854958935 0.84857184429671 15.999 > 71 112 O 0.50000000000000 0.96497854958935 0.84857184429671 15.999 > 71 113 O 0.12500000000000 0.87703489203200 0.25000000000000 15.999 > 73 114 O 0.62500000000000 0.87703489203200 0.25000000000000 15.999 > 73 115 O 0.36311212824003 0.89021984082181 0.46259304852607 15.999 > 75 116 O 0.86311212824003 0.89021984082181 0.46259304852607 15.999 > 75 117 O 0.25000000000000 0.72940447390812 0.34964257593899 15.999 > 77 118 O 0.75000000000000 0.72940447390812 0.34964257593899 15.999 > 77 119 O 0.00000000000000 0.53502145041065 0.34857184429671 15.999 > 79 120 O 0.50000000000000 0.53502145041065 0.34857184429671 15.999 > 79 121 O 0.37500000000000 0.87703489203200 0.25000000000000 15.999 > 81 122 O 0.87500000000000 0.87703489203200 0.25000000000000 15.999 > 81 123 O 0.36311212824003 0.60978015917819 0.96259304852607 15.999 > 83 124 O 0.86311212824003 0.60978015917819 0.96259304852607 15.999 > 83 125 O 0.11311212824003 0.60978015917819 0.53740695147393 15.999 > 85 126 O 0.61311212824003 0.60978015917819 0.53740695147393 15.999 > 85 127 O 0.00000000000000 0.77059552609188 0.65035742406101 15.999 > 87 128 O 0.50000000000000 0.77059552609188 0.65035742406101 15.999 > 87 129 O 0.13688787175997 0.60978015917819 0.96259304852607 15.999 > 89 130 O 0.63688787175997 0.60978015917819 0.96259304852607 15.999 > 89 131 O 0.38688787175997 0.60978015917819 0.53740695147393 15.999 > 91 132 O 0.88688787175997 0.60978015917819 0.53740695147393 15.999 > 91 133 O 0.25000000000000 0.53502145041065 0.15142815570329 15.999 > 93 134 O 0.75000000000000 0.53502145041065 0.15142815570329 15.999 > 93 135 O 0.11311212824003 0.89021984082181 0.03740695147393 15.999 > 95 136 O 0.61311212824003 0.89021984082181 0.03740695147393 15.999 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8994468 0.0000000 0.0000000 0.0000000 5.1075787 0.0000000 0.0000000 0.0000000 5.2985909 -------------------------- Born effective charges -------------------------- 1 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 -0.0541211 0.0000000 -0.1322577 2.8544312 2 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 0.7676359 0.0000000 0.4512784 2.4961800 3 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 -0.7676359 0.0000000 -0.4512784 2.4961800 4 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 0.0541211 0.0000000 0.1322577 2.8544312 5 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 0.0541211 0.0000000 0.1322577 2.8544312 6 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 -0.7676359 0.0000000 -0.4512784 2.4961800 7 Ba 3.0517984 0.0000000 -0.0000000 -0.0000000 2.7805190 -0.0541211 0.0000000 -0.1322577 2.8544312 8 Ba 2.7078913 0.0000000 -0.0000000 -0.0000000 3.4581121 0.7676359 0.0000000 0.4512784 2.4961800 9 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 -0.7556201 0.0000000 -0.7681751 5.8475618 10 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 0.7556201 0.0000000 0.7681751 5.8475618 11 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 -0.7556201 0.0000000 -0.7681751 5.8475618 12 Ti 5.2647243 0.0000000 -0.0000000 -0.0000000 4.5487986 0.7556201 0.0000000 0.7681751 5.8475618 13 Pt 1.2541602 0.0000000 -0.0000000 -0.0000000 1.9177678 -0.0530364 0.0000000 -0.5710655 1.8318798 14 Pt 1.2541602 0.0000000 -0.0000000 -0.0000000 1.9177678 0.0530364 0.0000000 0.5710655 1.8318798 15 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 0.1929347 0.0000000 0.1156280 -2.9093127 16 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 -0.0781780 0.0000000 -0.1857166 -1.5264238 17 O -2.1652667 -0.3967546 0.0459523 -0.4827210 -2.1116669 -0.2210904 0.0624688 -0.6284885 -2.1086564 18 O -2.1652667 -0.3967546 -0.0459523 -0.4827210 -2.1116669 0.2210904 -0.0624688 0.6284885 -2.1086564 19 O -4.0782092 0.0000000 -2.0740167 -0.0000000 -1.3259432 0.0000000 -1.9543011 0.0000000 -3.4610637 20 O -4.0782092 0.0000000 2.0740167 -0.0000000 -1.3259432 0.0000000 1.9543011 0.0000000 -3.4610637 21 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 -0.0781780 0.0000000 -0.1857166 -1.5264238 22 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 -0.1929347 0.0000000 -0.1156280 -2.9093127 23 O -4.0782092 0.0000000 -2.0740167 -0.0000000 -1.3259432 0.0000000 -1.9543011 0.0000000 -3.4610637 24 O -2.1652667 0.3967546 -0.0459523 0.4827210 -2.1116669 -0.2210904 -0.0624688 -0.6284885 -2.1086564 25 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 0.0781780 0.0000000 0.1857166 -1.5264238 26 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 0.1929347 0.0000000 0.1156280 -2.9093127 27 O -4.0782092 0.0000000 2.0740167 -0.0000000 -1.3259432 0.0000000 1.9543011 0.0000000 -3.4610637 28 O -2.1652667 -0.3967546 -0.0459523 -0.4827210 -2.1116669 0.2210904 -0.0624688 0.6284885 -2.1086564 29 O -2.1652667 -0.3967546 0.0459523 -0.4827210 -2.1116669 -0.2210904 0.0624688 -0.6284885 -2.1086564 30 O -1.7168169 0.0000000 -0.0000000 -0.0000000 -4.0211396 0.0781780 0.0000000 0.1857166 -1.5264238 31 O -2.1652667 0.3967546 0.0459523 0.4827210 -2.1116669 0.2210904 0.0624688 0.6284885 -2.1086564 32 O -2.1652667 0.3967546 -0.0459523 0.4827210 -2.1116669 -0.2210904 -0.0624688 -0.6284885 -2.1086564 33 O -1.5259347 0.0000000 -0.0000000 -0.0000000 -2.1758969 -0.1929347 0.0000000 -0.1156280 -2.9093127 34 O -2.1652667 0.3967546 0.0459523 0.4827210 -2.1116669 0.2210904 0.0624688 0.6284885 -2.1086564 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yxx) -0.00000001 (yxx) -0.00000001 (yxx) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 9 9 4 ] 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: 0.52, Number of G-points: 293, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/75) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.573 ( 0.000 0.000 0.000) 0.000 1.609 ( 0.000 0.000 0.000) 0.000 1.740 ( 0.000 0.000 0.000) 0.000 1.891 ( 0.000 0.000 0.000) 0.000 1.898 ( 0.000 0.000 0.000) 0.000 1.940 ( 0.000 0.000 0.000) 0.000 2.045 ( 0.000 0.000 0.000) 0.000 2.287 ( 0.000 0.000 0.000) 0.000 2.617 ( 0.000 0.000 0.000) 0.000 2.713 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.782 ( 0.000 0.000 0.000) 0.000 2.789 ( 0.000 0.000 0.000) 0.000 3.040 ( 0.000 0.000 0.000) 0.000 3.055 ( 0.000 0.000 0.000) 0.000 3.182 ( 0.000 0.000 0.000) 0.000 3.223 ( 0.000 0.000 0.000) 0.000 3.229 ( 0.000 0.000 0.000) 0.000 3.361 ( 0.000 0.000 0.000) 0.000 3.423 ( 0.000 0.000 0.000) 0.000 3.480 ( 0.000 0.000 0.000) 0.000 3.515 ( 0.000 0.000 0.000) 0.000 3.537 ( 0.000 0.000 0.000) 0.000 3.572 ( 0.000 0.000 0.000) 0.000 3.729 ( 0.000 0.000 0.000) 0.000 3.785 ( 0.000 0.000 0.000) 0.000 3.787 ( 0.000 0.000 0.000) 0.000 3.849 ( 0.000 0.000 0.000) 0.000 4.065 ( 0.000 0.000 0.000) 0.000 4.412 ( 0.000 0.000 0.000) 0.000 4.441 ( 0.000 0.000 0.000) 0.000 4.541 ( 0.000 0.000 0.000) 0.000 4.561 ( 0.000 0.000 0.000) 0.000 4.835 ( 0.000 0.000 0.000) 0.000 4.877 ( 0.000 0.000 0.000) 0.000 5.557 ( 0.000 0.000 0.000) 0.000 5.771 ( 0.000 0.000 0.000) 0.000 5.937 ( 0.000 0.000 0.000) 0.000 6.053 ( 0.000 0.000 0.000) 0.000 6.159 ( 0.000 0.000 0.000) 0.000 6.160 ( 0.000 0.000 0.000) 0.000 6.561 ( 0.000 0.000 0.000) 0.000 6.855 ( 0.000 0.000 0.000) 0.000 7.019 ( 0.000 0.000 0.000) 0.000 7.162 ( 0.000 0.000 0.000) 0.000 7.432 ( 0.000 0.000 0.000) 0.000 7.439 ( 0.000 0.000 0.000) 0.000 7.511 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 8.314 ( 0.000 0.000 0.000) 0.000 8.357 ( 0.000 0.000 0.000) 0.000 8.429 ( 0.000 0.000 0.000) 0.000 8.552 ( 0.000 0.000 0.000) 0.000 8.877 ( 0.000 0.000 0.000) 0.000 9.184 ( 0.000 0.000 0.000) 0.000 9.294 ( 0.000 0.000 0.000) 0.000 9.358 ( 0.000 0.000 0.000) 0.000 9.408 ( 0.000 0.000 0.000) 0.000 9.654 ( 0.000 0.000 0.000) 0.000 10.019 ( 0.000 0.000 0.000) 0.000 10.263 ( 0.000 0.000 0.000) 0.000 10.570 ( 0.000 0.000 0.000) 0.000 10.671 ( 0.000 0.000 0.000) 0.000 10.908 ( 0.000 0.000 0.000) 0.000 11.029 ( 0.000 0.000 0.000) 0.000 11.131 ( 0.000 0.000 0.000) 0.000 11.501 ( 0.000 0.000 0.000) 0.000 11.526 ( 0.000 0.000 0.000) 0.000 11.656 ( 0.000 0.000 0.000) 0.000 11.845 ( 0.000 0.000 0.000) 0.000 11.858 ( 0.000 0.000 0.000) 0.000 12.056 ( 0.000 0.000 0.000) 0.000 12.333 ( 0.000 0.000 0.000) 0.000 12.440 ( 0.000 0.000 0.000) 0.000 12.618 ( 0.000 0.000 0.000) 0.000 12.805 ( 0.000 0.000 0.000) 0.000 14.002 ( 0.000 0.000 0.000) 0.000 14.834 ( 0.000 0.000 0.000) 0.000 15.088 ( 0.000 0.000 0.000) 0.000 15.591 ( 0.000 0.000 0.000) 0.000 15.844 ( 0.000 0.000 0.000) 0.000 16.233 ( 0.000 0.000 0.000) 0.000 16.487 ( 0.000 0.000 0.000) 0.000 16.870 ( 0.000 0.000 0.000) 0.000 16.874 ( 0.000 0.000 0.000) 0.000 16.927 ( 0.000 0.000 0.000) 0.000 16.946 ( 0.000 0.000 0.000) 0.000 16.970 ( 0.000 0.000 0.000) 0.000 17.083 ( 0.000 0.000 0.000) 0.000 17.151 ( 0.000 0.000 0.000) 0.000 17.445 ( 0.000 0.000 0.000) 0.000 17.828 ( 0.000 0.000 0.000) 0.000 17.874 ( 0.000 0.000 0.000) 0.000 19.773 ( 0.000 0.000 0.000) 0.000 20.176 ( 0.000 0.000 0.000) 0.000 21.299 ( 0.000 0.000 0.000) 0.000 21.463 ( 0.000 0.000 0.000) 0.000 23.084 ( 0.000 0.000 0.000) 0.000 23.907 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/75) ======================= q-point: ( 0.11 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 22.928 -11.549 0.000) 25.673 0.577 ( 23.607 -13.271 0.000) 27.082 1.097 ( 46.876 -14.940 0.000) 49.199 1.580 ( 0.324 -1.244 0.000) 1.285 1.608 ( 0.762 0.690 0.000) 1.028 1.737 ( 0.281 -0.907 0.000) 0.950 1.927 ( 4.017 2.603 0.000) 4.787 1.990 ( 3.981 -1.737 0.000) 4.344 2.069 ( 11.899 3.706 0.000) 12.462 2.152 ( 10.896 -5.836 0.000) 12.360 2.296 ( 0.786 -0.213 0.000) 0.814 2.648 ( 3.031 -0.012 0.000) 3.031 2.698 ( -1.610 -2.039 0.000) 2.598 2.792 ( 2.808 -3.157 0.000) 4.225 2.828 ( 3.687 -0.509 0.000) 3.722 2.889 ( -0.975 4.469 0.000) 4.574 3.027 ( -3.837 0.043 0.000) 3.837 3.034 ( -0.137 0.915 0.000) 0.925 3.162 ( -5.355 0.491 0.000) 5.377 3.195 ( -2.429 1.249 0.000) 2.732 3.251 ( 5.409 -2.712 0.000) 6.051 3.326 ( -3.324 -3.946 0.000) 5.159 3.406 ( -3.658 5.768 0.000) 6.830 3.522 ( -1.291 -4.692 0.000) 4.867 3.574 ( 6.276 7.224 0.000) 9.569 3.616 ( 1.829 -0.778 0.000) 1.987 3.630 ( 1.548 -0.502 0.000) 1.627 3.691 ( 1.188 -0.015 0.000) 1.189 3.779 ( 0.374 2.229 0.000) 2.260 3.871 ( 8.037 -2.284 0.000) 8.355 3.975 ( -4.350 5.379 0.000) 6.918 4.371 ( 3.693 13.188 0.000) 13.695 4.410 ( 3.650 6.143 0.000) 7.145 4.502 ( 4.446 -1.901 0.000) 4.835 4.623 ( -0.887 -8.713 0.000) 8.758 4.843 ( -1.006 5.218 0.000) 5.314 4.978 ( 4.486 -0.916 0.000) 4.579 5.058 ( 12.853 -5.874 0.000) 14.131 5.605 ( 0.089 0.111 0.000) 0.142 5.728 ( -4.203 -0.662 0.000) 4.255 5.965 ( 1.527 -2.316 0.000) 2.774 6.139 ( 8.331 1.150 0.000) 8.410 6.213 ( 4.503 -1.701 0.000) 4.814 6.262 ( 10.221 0.416 0.000) 10.229 6.603 ( 3.174 -2.076 0.000) 3.793 6.833 ( -1.629 0.152 0.000) 1.636 7.011 ( -1.013 -0.312 0.000) 1.060 7.203 ( 3.003 0.238 0.000) 3.012 7.432 ( -1.983 -2.665 0.000) 3.322 7.490 ( 7.565 1.104 0.000) 7.645 7.787 ( 11.410 0.342 0.000) 11.415 8.242 ( -5.068 -1.152 0.000) 5.197 8.406 ( 5.593 3.518 0.000) 6.607 8.457 ( 4.558 20.343 0.000) 20.847 8.552 ( 9.386 -0.413 0.000) 9.396 8.594 ( 4.181 -0.747 0.000) 4.247 8.924 ( 4.545 -0.638 0.000) 4.590 9.021 ( -15.063 -1.601 0.000) 15.147 9.287 ( 0.249 1.134 0.000) 1.161 9.463 ( 7.107 -1.989 0.000) 7.380 9.734 ( 5.709 -0.932 0.000) 5.784 9.955 ( 14.755 19.892 0.000) 24.767 10.291 ( 4.020 2.039 0.000) 4.507 10.537 ( 2.157 -4.010 0.000) 4.553 10.551 ( -12.064 0.829 0.000) 12.092 10.766 ( 4.575 -7.997 0.000) 9.213 10.775 ( -4.969 -0.892 0.000) 5.048 11.070 ( 3.986 1.325 0.000) 4.200 11.118 ( -0.881 0.725 0.000) 1.141 11.236 ( -9.284 1.011 0.000) 9.339 11.642 ( 2.821 2.699 0.000) 3.905 11.687 ( 3.040 0.417 0.000) 3.068 11.879 ( -1.882 -2.043 0.000) 2.778 11.951 ( 0.017 3.160 0.000) 3.160 12.019 ( 4.337 -3.585 0.000) 5.627 12.340 ( -0.262 0.232 0.000) 0.349 12.562 ( 10.004 0.905 0.000) 10.045 12.596 ( -1.548 1.800 0.000) 2.375 12.784 ( -1.968 0.194 0.000) 1.978 13.855 ( -11.534 4.366 0.000) 12.332 14.621 ( -21.138 2.331 0.000) 21.266 14.795 ( -32.713 -13.287 0.000) 35.308 15.613 ( 2.140 -0.000 0.000) 2.140 16.298 ( 5.635 -0.491 0.000) 5.656 16.400 ( -4.255 4.084 0.000) 5.898 16.635 ( 9.229 10.329 0.000) 13.852 16.769 ( -9.974 -0.272 0.000) 9.977 16.810 ( -6.441 2.082 0.000) 6.769 16.893 ( -1.427 -3.216 0.000) 3.519 17.067 ( 5.782 2.692 0.000) 6.378 17.158 ( 3.544 -0.673 0.000) 3.607 17.206 ( 9.541 -2.381 0.000) 9.834 17.818 ( -1.310 -0.742 0.000) 1.506 17.864 ( -1.297 -0.604 0.000) 1.431 17.905 ( 38.411 8.318 0.000) 39.302 19.584 ( 55.220 122.595 0.000) 134.457 19.772 ( -0.471 -0.547 0.000) 0.722 20.142 ( -3.506 0.259 0.000) 3.515 21.502 ( -0.150 -10.034 0.000) 10.035 22.184 ( -36.195 -95.454 0.000) 102.086 23.037 ( -4.809 -0.008 0.000) 4.809 23.773 ( -12.616 0.182 0.000) 12.618 ======================= Grid point 2 (3/75) ======================= q-point: ( 0.22 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.051 ( 18.937 -8.415 0.000) 20.722 1.109 ( 20.829 -10.073 0.000) 23.137 1.572 ( 2.065 2.885 0.000) 3.548 1.619 ( 2.447 -3.225 0.000) 4.049 1.778 ( 2.826 -1.958 0.000) 3.438 2.001 ( 6.340 5.031 0.000) 8.094 2.056 ( 33.053 -13.794 0.000) 35.816 2.091 ( 4.045 -2.282 0.000) 4.645 2.254 ( 11.159 0.257 0.000) 11.162 2.329 ( 2.798 -0.718 0.000) 2.888 2.387 ( 6.285 -2.659 0.000) 6.824 2.677 ( -1.461 -2.142 0.000) 2.592 2.728 ( 3.891 1.192 0.000) 4.069 2.798 ( -3.941 4.921 0.000) 6.304 2.890 ( 1.713 2.448 0.000) 2.988 2.911 ( -6.014 0.548 0.000) 6.039 2.935 ( 5.129 -1.635 0.000) 5.384 3.011 ( -5.172 0.553 0.000) 5.202 3.052 ( -0.984 0.232 0.000) 1.011 3.146 ( -1.381 -1.373 0.000) 1.947 3.284 ( -4.108 -0.420 0.000) 4.129 3.297 ( -5.499 -7.566 0.000) 9.354 3.430 ( 9.270 -2.521 0.000) 9.607 3.437 ( -5.263 9.167 0.000) 10.570 3.508 ( -3.858 -2.602 0.000) 4.653 3.602 ( -3.954 -6.810 0.000) 7.875 3.623 ( -0.652 0.999 0.000) 1.193 3.765 ( -2.183 6.901 0.000) 7.238 3.774 ( 1.207 2.117 0.000) 2.437 3.891 ( 5.586 2.418 0.000) 6.087 4.180 ( 14.420 -2.121 0.000) 14.576 4.448 ( 4.435 5.151 0.000) 6.797 4.469 ( 3.962 -6.277 0.000) 7.423 4.629 ( 6.872 -0.685 0.000) 6.906 4.710 ( 14.590 4.074 0.000) 15.148 4.774 ( 0.134 7.072 0.000) 7.073 5.108 ( 10.445 6.717 0.000) 12.419 5.383 ( 16.149 -1.781 0.000) 16.247 5.641 ( -5.482 -1.605 0.000) 5.712 5.648 ( 7.409 1.815 0.000) 7.628 6.029 ( 3.101 -2.215 0.000) 3.811 6.302 ( 9.365 3.724 0.000) 10.078 6.338 ( 5.651 -3.241 0.000) 6.515 6.510 ( 15.287 1.906 0.000) 15.405 6.694 ( 3.770 -1.804 0.000) 4.180 6.818 ( 0.399 -1.030 0.000) 1.105 6.983 ( -2.495 -0.842 0.000) 2.634 7.239 ( 0.959 -0.478 0.000) 1.071 7.412 ( -1.757 -2.466 0.000) 3.028 7.723 ( 16.870 1.893 0.000) 16.976 7.985 ( 6.957 2.298 0.000) 7.327 8.167 ( -3.659 -1.354 0.000) 3.902 8.368 ( -1.415 4.130 0.000) 4.366 8.505 ( 4.500 -1.057 0.000) 4.623 8.681 ( -17.135 -1.842 0.000) 17.234 8.712 ( 6.708 -1.474 0.000) 6.868 8.748 ( 5.434 -1.693 0.000) 5.692 9.072 ( 9.456 -1.827 0.000) 9.631 9.310 ( 2.576 -0.527 0.000) 2.630 9.619 ( 8.406 2.193 0.000) 8.687 9.831 ( 3.556 0.916 0.000) 3.672 9.960 ( -36.716 3.774 0.000) 36.910 10.148 ( 17.376 9.102 0.000) 19.615 10.414 ( 9.198 1.707 0.000) 9.355 10.690 ( 9.850 -4.078 0.000) 10.660 10.893 ( 6.320 -3.660 0.000) 7.303 10.924 ( 3.634 -8.270 0.000) 9.033 11.077 ( 3.711 6.406 0.000) 7.403 11.101 ( 0.811 1.352 0.000) 1.577 11.237 ( 5.657 -2.755 0.000) 6.292 11.626 ( -0.667 5.634 0.000) 5.674 11.758 ( 4.977 2.019 0.000) 5.371 11.865 ( 1.631 3.708 0.000) 4.051 11.880 ( -3.552 -2.358 0.000) 4.264 12.153 ( 4.428 -0.517 0.000) 4.458 12.335 ( 1.572 3.564 0.000) 3.895 12.526 ( -3.096 4.351 0.000) 5.341 12.701 ( 0.998 1.557 0.000) 1.850 12.756 ( 2.923 0.748 0.000) 3.017 13.569 ( -12.384 5.068 0.000) 13.381 14.041 ( -33.316 -0.156 0.000) 33.316 14.275 ( -30.601 -7.798 0.000) 31.579 15.671 ( 3.768 -0.024 0.000) 3.768 16.271 ( -6.131 2.971 0.000) 6.813 16.425 ( 6.279 -0.277 0.000) 6.285 16.575 ( -6.751 4.697 0.000) 8.224 16.585 ( -8.908 -1.676 0.000) 9.064 16.796 ( 4.553 2.678 0.000) 5.282 16.935 ( 5.667 1.976 0.000) 6.002 17.147 ( 4.558 1.494 0.000) 4.796 17.248 ( 3.291 -3.429 0.000) 4.753 17.406 ( 8.991 1.028 0.000) 9.050 17.791 ( -2.263 -1.465 0.000) 2.696 17.834 ( -2.494 -1.040 0.000) 2.702 18.549 ( 34.347 11.516 0.000) 36.226 19.642 ( 24.091 48.140 0.000) 53.831 19.756 ( -1.819 -0.095 0.000) 1.822 20.037 ( -7.063 -0.051 0.000) 7.063 21.632 ( 3.868 -12.953 0.000) 13.518 22.317 ( -7.845 -38.091 0.000) 38.891 22.902 ( -8.858 0.517 0.000) 8.873 23.484 ( -16.013 -0.676 0.000) 16.027 ======================= Grid point 3 (4/75) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.365 ( 8.111 -2.732 0.000) 8.559 1.462 ( 6.926 0.028 0.000) 6.926 1.652 ( 10.097 -4.239 0.000) 10.951 1.769 ( 9.166 -6.354 0.000) 11.153 1.871 ( 4.038 -3.875 0.000) 5.596 2.051 ( 2.460 4.448 0.000) 5.083 2.180 ( 5.059 1.802 0.000) 5.371 2.397 ( 2.630 0.942 0.000) 2.793 2.432 ( 6.032 -2.722 0.000) 6.617 2.472 ( 7.795 -1.046 0.000) 7.865 2.630 ( 9.920 -1.313 0.000) 10.006 2.650 ( -3.050 -1.549 0.000) 3.421 2.670 ( -3.959 2.118 0.000) 4.490 2.751 ( -1.198 3.310 0.000) 3.520 2.796 ( -6.073 -2.301 0.000) 6.494 2.858 ( 0.633 6.951 0.000) 6.980 2.888 ( -4.543 -1.740 0.000) 4.864 2.985 ( 1.586 -0.231 0.000) 1.603 3.034 ( -1.231 2.979 0.000) 3.223 3.131 ( -2.479 -5.279 0.000) 5.832 3.262 ( -4.375 8.116 0.000) 9.220 3.295 ( -3.227 -9.907 0.000) 10.420 3.308 ( 2.445 -5.147 0.000) 5.698 3.398 ( -6.125 2.622 0.000) 6.663 3.588 ( -5.115 -6.734 0.000) 8.456 3.613 ( 2.008 -1.697 0.000) 2.629 3.654 ( 7.988 -4.090 0.000) 8.974 3.743 ( 6.101 1.884 0.000) 6.386 3.778 ( 0.716 2.065 0.000) 2.186 3.955 ( 1.622 0.376 0.000) 1.665 4.388 ( 5.544 -0.250 0.000) 5.549 4.473 ( 1.449 2.332 0.000) 2.745 4.500 ( 0.636 -1.203 0.000) 1.361 4.682 ( 0.168 4.282 0.000) 4.286 4.823 ( 6.817 -1.095 0.000) 6.904 5.116 ( 22.500 5.031 0.000) 23.056 5.162 ( 0.122 5.916 0.000) 5.917 5.550 ( -4.790 -0.361 0.000) 4.804 5.726 ( 19.263 -1.520 0.000) 19.323 5.947 ( 23.961 2.416 0.000) 24.082 6.120 ( 4.590 -1.746 0.000) 4.911 6.409 ( 6.092 5.827 0.000) 8.430 6.452 ( 2.356 -2.971 0.000) 3.792 6.739 ( 7.620 3.293 0.000) 8.301 6.755 ( 1.272 -0.930 0.000) 1.576 6.924 ( 11.724 -1.712 0.000) 11.849 6.925 ( -4.928 -1.842 0.000) 5.261 7.277 ( 2.872 -1.460 0.000) 3.222 7.446 ( 4.768 -1.696 0.000) 5.061 7.958 ( -6.138 3.045 0.000) 6.852 8.046 ( 14.057 1.255 0.000) 14.113 8.125 ( 0.338 0.104 0.000) 0.354 8.312 ( -20.146 -3.100 0.000) 20.383 8.335 ( -1.631 -1.991 0.000) 2.574 8.584 ( 1.662 -0.964 0.000) 1.922 8.836 ( -2.860 1.365 0.000) 3.169 8.862 ( 6.694 -2.268 0.000) 7.068 9.204 ( -22.535 -0.225 0.000) 22.536 9.330 ( 3.523 -1.425 0.000) 3.801 9.406 ( 5.428 -3.834 0.000) 6.645 9.723 ( 4.248 3.352 0.000) 5.411 9.843 ( 0.452 5.621 0.000) 5.639 10.435 ( 17.001 4.383 0.000) 17.556 10.612 ( 11.445 0.972 0.000) 11.486 10.911 ( -3.720 -2.727 0.000) 4.612 10.933 ( 9.569 -4.550 0.000) 10.596 10.996 ( -2.089 -5.333 0.000) 5.728 11.179 ( 7.532 -2.419 0.000) 7.911 11.247 ( 12.105 5.046 0.000) 13.114 11.379 ( 6.271 -1.210 0.000) 6.387 11.569 ( 1.846 3.323 0.000) 3.801 11.824 ( 5.247 6.496 0.000) 8.350 11.854 ( -2.557 -4.392 0.000) 5.082 11.897 ( 4.398 2.950 0.000) 5.295 12.194 ( -0.209 -0.495 0.000) 0.537 12.348 ( 3.148 5.356 0.000) 6.212 12.407 ( -4.050 5.950 0.000) 7.198 12.642 ( -3.773 0.438 0.000) 3.798 12.807 ( 1.637 1.935 0.000) 2.535 13.330 ( -8.035 3.693 0.000) 8.843 13.447 ( -27.559 -0.857 0.000) 27.573 13.756 ( -27.522 -5.037 0.000) 27.979 15.754 ( 4.659 -0.199 0.000) 4.663 16.120 ( -6.925 2.391 0.000) 7.326 16.412 ( -5.831 -0.721 0.000) 5.875 16.422 ( -5.676 1.761 0.000) 5.943 16.592 ( 6.028 -1.526 0.000) 6.218 16.827 ( -0.440 -0.959 0.000) 1.055 17.074 ( 11.076 5.213 0.000) 12.241 17.223 ( 4.003 0.078 0.000) 4.004 17.324 ( 1.399 -3.137 0.000) 3.435 17.497 ( 1.949 3.410 0.000) 3.928 17.760 ( -2.282 -1.949 0.000) 3.001 17.789 ( -2.840 -0.884 0.000) 2.975 19.008 ( 22.702 9.277 0.000) 24.524 19.686 ( -5.524 1.141 0.000) 5.640 19.702 ( 12.022 21.581 0.000) 24.703 19.896 ( -7.429 -2.022 0.000) 7.700 21.862 ( 9.732 -9.979 0.000) 13.939 22.505 ( 2.867 -18.380 0.000) 18.602 22.695 ( -11.466 1.516 0.000) 11.565 23.201 ( -13.596 -0.199 0.000) 13.598 ======================= Grid point 4 (5/75) ======================= q-point: ( 0.44 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.462 ( 1.752 -1.563 0.000) 2.348 1.490 ( 0.442 2.528 0.000) 2.566 1.890 ( 7.361 -2.607 0.000) 7.809 1.961 ( 1.999 -1.767 0.000) 2.668 1.995 ( 4.104 -6.554 0.000) 7.733 2.052 ( 2.461 2.853 0.000) 3.768 2.246 ( 4.481 3.076 0.000) 5.435 2.344 ( -4.854 1.652 0.000) 5.127 2.565 ( 2.939 -4.062 0.000) 5.014 2.592 ( 0.072 2.836 0.000) 2.837 2.612 ( -0.612 -1.412 0.000) 1.539 2.622 ( 4.155 2.416 0.000) 4.807 2.670 ( -1.255 3.773 0.000) 3.976 2.681 ( -0.917 -0.001 0.000) 0.917 2.719 ( -3.715 -6.262 0.000) 7.281 2.788 ( -1.960 5.815 0.000) 6.137 2.893 ( 2.086 -0.552 0.000) 2.158 2.952 ( -4.207 -1.496 0.000) 4.465 3.022 ( 1.811 -0.328 0.000) 1.841 3.102 ( -4.486 2.495 0.000) 5.133 3.228 ( 1.230 -0.593 0.000) 1.366 3.270 ( -2.934 4.483 0.000) 5.358 3.293 ( -0.577 -5.776 0.000) 5.805 3.346 ( -1.167 0.396 0.000) 1.232 3.626 ( 0.822 -8.947 0.000) 8.985 3.675 ( 1.763 0.495 0.000) 1.832 3.772 ( -0.058 -3.805 0.000) 3.805 3.809 ( 2.186 4.907 0.000) 5.372 3.835 ( 7.901 1.196 0.000) 7.991 3.942 ( -4.572 -3.145 0.000) 5.549 4.468 ( 4.494 1.577 0.000) 4.762 4.484 ( 0.568 -0.723 0.000) 0.920 4.539 ( 3.816 3.095 0.000) 4.913 4.624 ( -4.831 -0.708 0.000) 4.883 4.956 ( 5.229 -2.194 0.000) 5.671 5.069 ( -3.998 4.206 0.000) 5.803 5.365 ( 8.058 2.525 0.000) 8.444 5.462 ( -4.274 0.247 0.000) 4.281 6.127 ( 17.853 -1.051 0.000) 17.884 6.221 ( 3.805 -1.215 0.000) 3.995 6.290 ( 5.164 -1.426 0.000) 5.357 6.428 ( -7.032 -0.058 0.000) 7.032 6.543 ( 17.196 6.519 0.000) 18.390 6.764 ( -2.573 -0.853 0.000) 2.711 6.787 ( 1.942 3.233 0.000) 3.772 6.812 ( -8.438 -4.693 0.000) 9.656 7.239 ( 17.862 1.763 0.000) 17.949 7.369 ( 2.573 -3.479 0.000) 4.327 7.666 ( 16.768 -2.320 0.000) 16.927 7.785 ( -7.150 0.390 0.000) 7.160 7.879 ( -16.307 0.612 0.000) 16.318 8.046 ( -13.439 3.234 0.000) 13.822 8.329 ( -0.029 -1.374 0.000) 1.374 8.361 ( 11.158 0.264 0.000) 11.161 8.465 ( -16.512 0.084 0.000) 16.512 8.551 ( -5.502 0.311 0.000) 5.511 8.985 ( 3.953 -1.234 0.000) 4.141 9.029 ( -1.223 -1.049 0.000) 1.611 9.526 ( 7.204 -3.507 0.000) 8.012 9.555 ( 4.889 -3.927 0.000) 6.271 9.722 ( -1.915 0.148 0.000) 1.920 9.765 ( -1.756 8.559 0.000) 8.737 10.687 ( 10.731 1.392 0.000) 10.821 10.783 ( 3.700 0.529 0.000) 3.738 10.870 ( -0.095 -1.390 0.000) 1.394 10.952 ( -4.871 -1.601 0.000) 5.127 11.117 ( 5.998 -4.864 0.000) 7.723 11.259 ( -3.087 6.728 0.000) 7.403 11.372 ( 6.698 -5.106 0.000) 8.422 11.459 ( 1.258 2.052 0.000) 2.407 11.755 ( 12.863 -3.580 0.000) 13.352 11.851 ( 3.503 7.635 0.000) 8.400 11.851 ( -2.240 -6.577 0.000) 6.948 11.940 ( 0.570 4.044 0.000) 4.084 12.175 ( -1.512 -0.792 0.000) 1.707 12.226 ( -6.144 4.178 0.000) 7.430 12.435 ( 7.277 3.931 0.000) 8.271 12.553 ( -6.123 -1.048 0.000) 6.212 12.832 ( 4.472 1.087 0.000) 4.602 13.023 ( -16.544 -0.670 0.000) 16.558 13.226 ( 0.853 2.466 0.000) 2.609 13.359 ( -15.759 -3.158 0.000) 16.072 15.853 ( 5.299 -0.801 0.000) 5.359 15.974 ( -6.251 1.667 0.000) 6.470 16.336 ( -2.358 -0.814 0.000) 2.495 16.338 ( -1.923 0.703 0.000) 2.047 16.716 ( 5.521 -0.315 0.000) 5.530 16.799 ( -3.269 -0.902 0.000) 3.391 17.257 ( 10.501 1.696 0.000) 10.637 17.297 ( 3.348 -0.171 0.000) 3.353 17.342 ( -1.278 -0.891 0.000) 1.558 17.428 ( -6.209 1.945 0.000) 6.507 17.742 ( -1.002 -1.725 0.000) 1.995 17.752 ( -1.024 0.462 0.000) 1.123 19.303 ( 14.648 4.287 0.000) 15.263 19.523 ( -10.320 -0.144 0.000) 10.321 19.749 ( 6.539 9.744 0.000) 11.735 19.802 ( -5.446 -4.596 0.000) 7.126 22.151 ( 12.859 -5.965 0.000) 14.176 22.440 ( -12.893 3.154 0.000) 13.274 22.725 ( 8.035 -8.725 0.000) 11.861 22.956 ( -10.896 3.011 0.000) 11.304 ======================= Grid point 10 (6/75) ======================= q-point: ( 0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.974 ( 22.558 0.000 0.000) 22.558 1.022 ( 25.143 0.000 0.000) 25.143 1.592 ( 1.892 0.000 0.000) 1.892 1.599 ( 0.998 0.000 0.000) 0.998 1.761 ( 2.358 0.000 0.000) 2.358 1.935 ( 39.013 0.000 0.000) 39.013 2.058 ( 8.098 0.000 0.000) 8.098 2.061 ( 3.326 0.000 0.000) 3.326 2.261 ( 10.450 0.000 0.000) 10.450 2.323 ( 2.433 0.000 0.000) 2.433 2.364 ( 7.105 0.000 0.000) 7.105 2.657 ( -1.530 -0.000 0.000) 1.530 2.740 ( 5.350 0.000 0.000) 5.350 2.843 ( -4.218 -0.000 0.000) 4.218 2.905 ( -6.062 -0.000 0.000) 6.062 2.908 ( 3.444 0.000 0.000) 3.444 2.926 ( 8.487 0.000 0.000) 8.487 3.025 ( -0.643 -0.000 0.000) 0.643 3.042 ( -5.456 -0.000 0.000) 5.456 3.145 ( -3.333 -0.000 0.000) 3.333 3.218 ( -7.235 -0.000 0.000) 7.235 3.289 ( -6.217 -0.000 0.000) 6.217 3.414 ( 8.486 0.000 0.000) 8.486 3.469 ( -3.073 -0.000 0.000) 3.073 3.511 ( -5.042 -0.000 0.000) 5.042 3.553 ( -7.165 -0.000 0.000) 7.165 3.631 ( -0.259 -0.000 0.000) 0.259 3.796 ( 0.314 0.000 0.000) 0.314 3.851 ( -7.108 -0.000 0.000) 7.108 3.920 ( 11.327 0.000 0.000) 11.327 4.142 ( 13.199 0.000 0.000) 13.199 4.397 ( -0.894 -0.000 0.000) 0.894 4.504 ( 2.676 0.000 0.000) 2.676 4.611 ( 7.428 0.000 0.000) 7.428 4.742 ( 20.374 0.000 0.000) 20.374 4.841 ( -1.296 -0.000 0.000) 1.296 5.166 ( 9.131 0.000 0.000) 9.131 5.364 ( 17.122 0.000 0.000) 17.122 5.624 ( -5.341 -0.000 0.000) 5.341 5.665 ( 8.570 0.000 0.000) 8.570 6.011 ( 3.831 0.000 0.000) 3.831 6.308 ( 5.565 0.000 0.000) 5.565 6.334 ( 9.792 0.000 0.000) 9.792 6.527 ( 16.034 0.000 0.000) 16.034 6.678 ( 4.697 0.000 0.000) 4.697 6.812 ( -0.276 -0.000 0.000) 0.276 6.976 ( -2.620 -0.000 0.000) 2.620 7.234 ( 0.699 0.000 0.000) 0.699 7.391 ( -0.708 -0.000 0.000) 0.708 7.740 ( 16.618 0.000 0.000) 16.618 8.005 ( 7.871 0.000 0.000) 7.871 8.155 ( -3.143 -0.000 0.000) 3.143 8.404 ( -7.485 -0.000 0.000) 7.485 8.496 ( 3.735 0.000 0.000) 3.735 8.662 ( -20.376 -0.000 0.000) 20.376 8.703 ( 6.474 0.000 0.000) 6.474 8.737 ( 8.780 0.000 0.000) 8.780 9.055 ( 9.287 0.000 0.000) 9.287 9.316 ( 1.563 0.000 0.000) 1.563 9.640 ( 9.577 0.000 0.000) 9.577 9.839 ( 5.157 0.000 0.000) 5.157 9.992 ( -37.367 -0.000 0.000) 37.367 10.277 ( 15.179 0.000 0.000) 15.179 10.430 ( 9.044 0.000 0.000) 9.044 10.620 ( 6.286 0.000 0.000) 6.286 10.834 ( 6.127 0.000 0.000) 6.127 10.861 ( 5.070 0.000 0.000) 5.070 11.113 ( 0.468 0.000 0.000) 0.468 11.150 ( 2.430 0.000 0.000) 2.430 11.194 ( 7.264 0.000 0.000) 7.264 11.687 ( 0.737 0.000 0.000) 0.737 11.773 ( 5.538 0.000 0.000) 5.538 11.850 ( -6.115 -0.000 0.000) 6.115 11.897 ( 2.239 0.000 0.000) 2.239 12.148 ( 4.818 0.000 0.000) 4.818 12.367 ( 2.224 0.000 0.000) 2.224 12.563 ( -2.759 -0.000 0.000) 2.759 12.713 ( -0.720 -0.000 0.000) 0.720 12.763 ( 4.613 0.000 0.000) 4.613 13.612 ( -13.790 -0.000 0.000) 13.790 14.049 ( -34.839 -0.000 0.000) 34.839 14.194 ( -26.800 -0.000 0.000) 26.800 15.670 ( 3.737 0.000 0.000) 3.737 16.295 ( -6.930 -0.000 0.000) 6.930 16.424 ( 7.233 0.000 0.000) 7.233 16.570 ( -9.846 -0.000 0.000) 9.846 16.621 ( -9.866 -0.000 0.000) 9.866 16.816 ( 1.691 0.000 0.000) 1.691 16.958 ( 9.802 0.000 0.000) 9.802 17.157 ( 3.243 0.000 0.000) 3.243 17.215 ( 2.855 0.000 0.000) 2.855 17.420 ( 10.777 0.000 0.000) 10.777 17.778 ( -2.302 -0.000 0.000) 2.302 17.826 ( -2.327 -0.000 0.000) 2.327 18.654 ( 32.788 0.000 0.000) 32.788 19.756 ( -1.082 -0.000 0.000) 1.082 20.034 ( -7.776 -0.000 0.000) 7.776 20.280 ( -9.317 -0.000 0.000) 9.317 21.433 ( 8.747 0.000 0.000) 8.747 21.866 ( 16.322 0.000 0.000) 16.322 22.906 ( -8.618 -0.000 0.000) 8.618 23.478 ( -16.215 -0.000 0.000) 16.215 ======================= Grid point 11 (7/75) ======================= q-point: ( 0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.333 ( 11.827 -1.114 0.000) 11.880 1.466 ( 18.299 0.444 0.000) 18.304 1.611 ( 2.147 -1.240 0.000) 2.479 1.693 ( 8.981 -2.447 0.000) 9.308 1.823 ( 3.155 -1.592 0.000) 3.534 2.088 ( -0.128 0.630 0.000) 0.643 2.225 ( 9.237 2.310 0.000) 9.521 2.403 ( 5.309 -0.828 0.000) 5.374 2.415 ( 2.642 1.238 0.000) 2.918 2.450 ( 9.503 -1.459 0.000) 9.614 2.588 ( 18.790 -1.464 0.000) 18.847 2.626 ( -2.540 -0.905 0.000) 2.697 2.733 ( -6.147 2.722 0.000) 6.723 2.774 ( -3.966 -0.568 0.000) 4.006 2.793 ( -0.570 1.408 0.000) 1.519 2.865 ( -4.508 -0.717 0.000) 4.565 2.989 ( 2.366 8.160 0.000) 8.496 3.021 ( -0.898 3.340 0.000) 3.459 3.048 ( -6.506 -2.454 0.000) 6.954 3.082 ( 0.807 0.792 0.000) 1.131 3.137 ( -1.252 -7.678 0.000) 7.779 3.189 ( -1.170 -6.654 0.000) 6.756 3.395 ( -5.260 5.015 0.000) 7.268 3.397 ( -4.414 -1.739 0.000) 4.744 3.465 ( -5.465 -5.327 0.000) 7.632 3.603 ( -1.639 0.260 0.000) 1.660 3.615 ( 10.400 -0.926 0.000) 10.441 3.789 ( 3.778 2.193 0.000) 4.369 3.797 ( 0.145 0.310 0.000) 0.343 3.981 ( -1.360 1.619 0.000) 2.115 4.358 ( 8.299 -2.349 0.000) 8.625 4.465 ( 4.291 -1.599 0.000) 4.580 4.509 ( -1.310 1.567 0.000) 2.042 4.737 ( 2.365 1.147 0.000) 2.629 4.817 ( 2.202 0.729 0.000) 2.320 5.181 ( 20.849 2.257 0.000) 20.970 5.233 ( -0.848 2.258 0.000) 2.412 5.543 ( -3.394 -0.328 0.000) 3.410 5.707 ( 19.402 -0.604 0.000) 19.412 5.980 ( 21.583 1.189 0.000) 21.615 6.102 ( 5.147 -0.527 0.000) 5.174 6.406 ( 3.011 -1.923 0.000) 3.572 6.484 ( 7.312 2.501 0.000) 7.728 6.744 ( 1.230 -0.245 0.000) 1.254 6.783 ( 5.318 1.532 0.000) 5.535 6.901 ( 14.745 -0.665 0.000) 14.760 6.907 ( -4.956 -0.536 0.000) 4.985 7.262 ( 2.465 -0.451 0.000) 2.506 7.428 ( 5.178 -0.468 0.000) 5.199 8.003 ( -6.677 1.831 0.000) 6.923 8.068 ( 14.914 1.059 0.000) 14.951 8.125 ( 0.484 -0.123 0.000) 0.499 8.269 ( -19.503 -1.628 0.000) 19.571 8.300 ( -3.293 -1.621 0.000) 3.670 8.574 ( 2.980 -0.292 0.000) 2.994 8.836 ( 6.669 -0.803 0.000) 6.717 8.847 ( -0.196 0.155 0.000) 0.250 9.199 ( -16.508 -0.296 0.000) 16.510 9.320 ( -6.849 -0.039 0.000) 6.849 9.367 ( 3.824 -0.999 0.000) 3.953 9.771 ( 4.017 1.782 0.000) 4.395 9.915 ( 3.194 2.521 0.000) 4.069 10.553 ( 15.692 9.278 0.000) 18.230 10.624 ( 10.824 0.451 0.000) 10.833 10.789 ( 6.237 -11.244 0.000) 12.858 10.860 ( -3.881 -2.130 0.000) 4.427 10.940 ( 3.447 -1.254 0.000) 3.669 11.159 ( 4.616 -0.396 0.000) 4.633 11.320 ( 11.757 3.243 0.000) 12.196 11.359 ( 9.723 -1.520 0.000) 9.841 11.647 ( -1.886 5.492 0.000) 5.807 11.769 ( -4.505 -5.402 0.000) 7.034 11.887 ( 6.489 1.499 0.000) 6.659 11.940 ( 2.882 1.729 0.000) 3.361 12.188 ( -0.246 -0.182 0.000) 0.306 12.419 ( 4.193 2.576 0.000) 4.921 12.479 ( -5.257 2.362 0.000) 5.763 12.646 ( -4.286 0.077 0.000) 4.287 12.833 ( 1.416 0.939 0.000) 1.699 13.370 ( -9.968 1.125 0.000) 10.031 13.442 ( -27.291 0.046 0.000) 27.291 13.683 ( -26.138 -2.870 0.000) 26.296 15.751 ( 4.474 -0.087 0.000) 4.475 16.149 ( -7.549 0.921 0.000) 7.605 16.408 ( -6.353 0.036 0.000) 6.353 16.452 ( -6.661 1.289 0.000) 6.785 16.571 ( 7.224 -0.806 0.000) 7.268 16.813 ( -1.204 -0.535 0.000) 1.318 17.145 ( 9.451 2.811 0.000) 9.861 17.216 ( 3.084 -0.408 0.000) 3.110 17.277 ( 2.680 -2.072 0.000) 3.388 17.543 ( 1.531 1.515 0.000) 2.154 17.736 ( -2.148 -0.791 0.000) 2.289 17.784 ( -1.504 0.126 0.000) 1.510 19.131 ( 19.244 4.389 0.000) 19.738 19.715 ( -3.338 1.769 0.000) 3.778 19.855 ( -10.663 -2.148 0.000) 10.878 20.045 ( -3.804 15.058 0.000) 15.531 21.701 ( 13.648 -7.540 0.000) 15.592 22.239 ( 15.016 -10.270 0.000) 18.193 22.712 ( -11.132 0.473 0.000) 11.142 23.199 ( -12.310 -0.064 0.000) 12.310 ======================= Grid point 12 (8/75) ======================= q-point: ( 0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.452 ( 2.280 0.046 0.000) 2.280 1.552 ( 0.674 4.591 0.000) 4.641 1.848 ( 11.970 -3.556 0.000) 12.487 1.897 ( 1.941 -3.697 0.000) 4.175 1.929 ( 9.265 -1.729 0.000) 9.425 2.067 ( -0.407 -0.159 0.000) 0.437 2.325 ( 2.953 4.953 0.000) 5.766 2.370 ( -4.766 1.192 0.000) 4.913 2.510 ( 2.896 -2.424 0.000) 3.777 2.588 ( -0.772 -1.145 0.000) 1.381 2.604 ( -1.958 -0.397 0.000) 1.998 2.633 ( 0.932 -2.622 0.000) 2.782 2.670 ( 1.384 2.288 0.000) 2.674 2.729 ( -1.908 2.784 0.000) 3.375 2.752 ( -0.295 6.877 0.000) 6.883 2.851 ( 2.235 -0.650 0.000) 2.328 2.907 ( -5.615 -4.161 0.000) 6.989 2.938 ( -1.011 7.976 0.000) 8.039 3.033 ( -0.477 1.922 0.000) 1.980 3.093 ( -1.007 -2.334 0.000) 2.542 3.157 ( -2.759 -5.041 0.000) 5.747 3.272 ( -1.163 -4.003 0.000) 4.168 3.315 ( 1.578 4.297 0.000) 4.578 3.373 ( 2.025 1.319 0.000) 2.417 3.449 ( 0.783 -9.860 0.000) 9.891 3.597 ( 1.272 -5.004 0.000) 5.163 3.766 ( 0.972 1.195 0.000) 1.541 3.853 ( 8.788 -0.616 0.000) 8.810 3.880 ( 4.484 3.260 0.000) 5.544 3.920 ( -3.332 -0.147 0.000) 3.335 4.457 ( -3.065 -1.666 0.000) 3.488 4.488 ( 2.805 1.019 0.000) 2.984 4.554 ( 5.617 -1.103 0.000) 5.724 4.651 ( -6.654 2.958 0.000) 7.282 4.923 ( 5.130 -1.617 0.000) 5.379 5.140 ( -5.281 3.687 0.000) 6.441 5.408 ( 5.946 2.214 0.000) 6.345 5.472 ( -4.537 0.787 0.000) 4.604 6.111 ( 19.031 -0.830 0.000) 19.049 6.204 ( 4.242 -0.698 0.000) 4.299 6.262 ( 4.644 -1.406 0.000) 4.852 6.412 ( -5.254 -1.645 0.000) 5.505 6.660 ( 15.111 6.293 0.000) 16.369 6.733 ( -2.399 -2.111 0.000) 3.196 6.775 ( -10.015 -0.392 0.000) 10.023 6.827 ( 2.139 1.477 0.000) 2.599 7.260 ( 20.270 0.917 0.000) 20.291 7.322 ( 0.782 -2.038 0.000) 2.182 7.630 ( 15.001 -1.819 0.000) 15.111 7.806 ( -9.166 1.754 0.000) 9.333 7.890 ( -14.224 0.556 0.000) 14.235 8.084 ( -9.964 1.464 0.000) 10.071 8.302 ( 2.030 -1.702 0.000) 2.649 8.368 ( 11.653 0.480 0.000) 11.662 8.468 ( -20.851 0.279 0.000) 20.853 8.557 ( -5.179 0.348 0.000) 5.191 8.962 ( 5.079 -1.288 0.000) 5.239 9.012 ( 0.066 -0.932 0.000) 0.934 9.475 ( 7.127 -2.261 0.000) 7.477 9.480 ( 5.393 -3.680 0.000) 6.529 9.755 ( -3.690 2.401 0.000) 4.402 9.899 ( -0.919 6.798 0.000) 6.860 10.722 ( 7.630 3.097 0.000) 8.235 10.780 ( -2.277 -1.245 0.000) 2.595 10.832 ( 5.688 -1.986 0.000) 6.025 10.908 ( -2.554 -3.643 0.000) 4.450 11.049 ( 6.737 -3.354 0.000) 7.526 11.296 ( 6.930 -3.471 0.000) 7.751 11.389 ( -2.021 8.100 0.000) 8.349 11.487 ( 2.981 1.556 0.000) 3.362 11.706 ( 9.053 -3.158 0.000) 9.588 11.734 ( -3.682 -6.204 0.000) 7.214 11.949 ( 1.609 4.078 0.000) 4.384 11.991 ( 2.864 2.053 0.000) 3.524 12.164 ( -1.746 -0.395 0.000) 1.791 12.296 ( -9.761 3.644 0.000) 10.419 12.498 ( 5.701 3.187 0.000) 6.531 12.540 ( -7.654 -0.572 0.000) 7.675 12.851 ( 3.855 1.052 0.000) 3.996 13.018 ( -16.154 0.146 0.000) 16.154 13.251 ( -0.262 0.661 0.000) 0.711 13.298 ( -15.230 -3.641 0.000) 15.659 15.842 ( 4.819 -0.462 0.000) 4.841 15.999 ( -6.863 1.200 0.000) 6.967 16.330 ( -1.630 0.040 0.000) 1.630 16.356 ( -1.945 1.246 0.000) 2.310 16.708 ( 6.234 -0.496 0.000) 6.254 16.783 ( -2.724 -0.921 0.000) 2.875 17.274 ( 5.081 0.246 0.000) 5.087 17.286 ( 3.559 -0.690 0.000) 3.625 17.332 ( 1.898 -0.198 0.000) 1.908 17.453 ( -8.864 0.798 0.000) 8.900 17.722 ( 0.268 -0.744 0.000) 0.791 17.771 ( 0.560 1.546 0.000) 1.644 19.377 ( 11.335 3.922 0.000) 11.994 19.544 ( -11.870 2.651 0.000) 12.162 19.718 ( -7.535 -5.348 0.000) 9.240 19.906 ( -0.844 8.272 0.000) 8.315 22.046 ( 15.501 -5.981 0.000) 16.615 22.478 ( -12.086 1.408 0.000) 12.168 22.592 ( 14.467 -6.411 0.000) 15.824 23.000 ( -7.809 2.049 0.000) 8.074 ======================= Grid point 13 (9/75) ======================= q-point: (-0.56 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.468 ( -0.230 -0.307 0.000) 0.383 1.510 ( -1.265 4.076 0.000) 4.267 1.944 ( -3.458 3.794 0.000) 5.134 1.947 ( -0.945 -5.580 0.000) 5.660 2.007 ( 1.881 0.685 0.000) 2.002 2.083 ( -2.710 3.216 0.000) 4.206 2.237 ( -6.347 1.075 0.000) 6.437 2.326 ( 2.822 -0.050 0.000) 2.823 2.527 ( -2.971 -4.257 0.000) 5.192 2.595 ( -0.748 -2.764 0.000) 2.863 2.596 ( -0.771 -0.449 0.000) 0.893 2.618 ( 0.829 -0.742 0.000) 1.113 2.654 ( -3.047 3.688 0.000) 4.784 2.710 ( 0.767 2.383 0.000) 2.504 2.743 ( 2.488 1.048 0.000) 2.699 2.852 ( 2.617 9.006 0.000) 9.379 2.889 ( 0.090 -1.111 0.000) 1.115 2.957 ( 5.566 -0.655 0.000) 5.604 3.034 ( -3.409 0.656 0.000) 3.471 3.049 ( 2.070 -2.484 0.000) 3.234 3.168 ( 1.034 -6.370 0.000) 6.453 3.246 ( -1.418 1.930 0.000) 2.395 3.339 ( 0.832 -2.168 0.000) 2.322 3.394 ( 3.391 4.242 0.000) 5.431 3.579 ( 2.525 -6.842 0.000) 7.293 3.700 ( 1.855 -3.077 0.000) 3.593 3.739 ( -1.093 0.554 0.000) 1.226 3.824 ( -4.411 1.898 0.000) 4.802 3.893 ( -0.623 6.212 0.000) 6.243 4.015 ( 7.698 3.800 0.000) 8.585 4.433 ( -4.438 -3.714 0.000) 5.787 4.474 ( -7.642 -2.203 0.000) 7.953 4.475 ( -2.828 -1.294 0.000) 3.110 4.659 ( 3.557 2.131 0.000) 4.146 4.995 ( -6.800 2.430 0.000) 7.221 5.013 ( 2.512 -2.396 0.000) 3.471 5.331 ( -11.160 -1.616 0.000) 11.277 5.464 ( 3.014 0.328 0.000) 3.032 6.148 ( -15.419 1.635 0.000) 15.506 6.239 ( -2.859 0.820 0.000) 2.975 6.295 ( -3.988 -0.987 0.000) 4.109 6.413 ( 8.534 -1.804 0.000) 8.722 6.474 ( -20.851 -1.622 0.000) 20.914 6.725 ( -1.720 -3.973 0.000) 4.330 6.792 ( 1.144 2.746 0.000) 2.975 6.894 ( 7.639 4.483 0.000) 8.857 7.203 ( -14.862 -2.382 0.000) 15.052 7.431 ( -3.941 3.682 0.000) 5.394 7.703 ( -17.564 2.030 0.000) 17.681 7.793 ( 4.488 1.004 0.000) 4.599 7.872 ( 18.889 -0.278 0.000) 18.891 7.981 ( 15.020 -4.235 0.000) 15.606 8.348 ( 1.419 0.932 0.000) 1.698 8.362 ( -11.885 0.470 0.000) 11.894 8.463 ( 13.964 -0.228 0.000) 13.966 8.549 ( 6.107 -0.003 0.000) 6.107 8.998 ( -2.617 0.313 0.000) 2.636 9.043 ( 3.405 0.526 0.000) 3.445 9.569 ( 0.097 -1.393 0.000) 1.396 9.578 ( -4.587 1.907 0.000) 4.968 9.642 ( -0.345 -5.026 0.000) 5.038 9.785 ( -4.163 6.380 0.000) 7.619 10.664 ( -10.255 -1.495 0.000) 10.364 10.770 ( -4.556 -0.854 0.000) 4.635 10.860 ( -1.102 -2.301 0.000) 2.551 10.963 ( 5.180 -0.160 0.000) 5.183 11.181 ( 3.877 -2.666 0.000) 4.705 11.218 ( -6.843 7.442 0.000) 10.110 11.421 ( 2.445 -2.221 0.000) 3.303 11.448 ( -5.920 3.726 0.000) 6.996 11.704 ( -5.330 -9.635 0.000) 11.011 11.824 ( -14.583 4.470 0.000) 15.253 11.866 ( 0.881 -4.387 0.000) 4.474 11.938 ( -0.877 3.567 0.000) 3.674 12.172 ( 2.553 -2.175 0.000) 3.354 12.189 ( 0.978 0.882 0.000) 1.317 12.376 ( -9.312 -3.056 0.000) 9.801 12.575 ( 4.084 1.591 0.000) 4.383 12.821 ( -4.768 -0.034 0.000) 4.768 13.037 ( 16.740 0.888 0.000) 16.763 13.169 ( -2.135 -4.113 0.000) 4.634 13.394 ( 16.278 1.113 0.000) 16.316 15.867 ( -5.961 0.806 0.000) 6.015 15.949 ( 5.620 -1.247 0.000) 5.757 16.338 ( 2.463 0.644 0.000) 2.545 16.357 ( 3.041 1.550 0.000) 3.413 16.717 ( -4.576 -0.112 0.000) 4.578 16.809 ( 3.893 0.237 0.000) 3.900 17.226 ( -14.012 -1.817 0.000) 14.129 17.279 ( -4.125 -2.203 0.000) 4.677 17.355 ( 2.817 0.475 0.000) 2.856 17.407 ( 4.447 -0.252 0.000) 4.454 17.756 ( 2.897 0.695 0.000) 2.979 17.775 ( 1.475 2.026 0.000) 2.506 19.252 ( -17.996 -1.574 0.000) 18.064 19.543 ( 8.897 1.877 0.000) 9.093 19.601 ( -10.957 -7.743 0.000) 13.417 19.867 ( 1.511 3.097 0.000) 3.446 22.232 ( -10.952 3.612 0.000) 11.532 22.378 ( 14.419 -3.960 0.000) 14.953 22.856 ( -3.384 6.516 0.000) 7.342 22.908 ( 14.696 -2.477 0.000) 14.903 ======================= Grid point 14 (10/75) ======================= q-point: (-0.44 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -4.560 4.477 0.000) 6.391 1.457 ( -1.405 -0.547 0.000) 1.508 1.765 ( -10.107 9.034 0.000) 13.556 1.886 ( -8.078 7.088 0.000) 10.746 1.942 ( -5.537 4.511 0.000) 7.141 1.949 ( -4.368 -7.057 0.000) 8.300 2.175 ( -0.570 0.797 0.000) 0.980 2.384 ( -0.259 -0.621 0.000) 0.673 2.471 ( -6.043 -2.151 0.000) 6.414 2.493 ( -6.177 4.558 0.000) 7.677 2.574 ( -0.999 -3.166 0.000) 3.320 2.659 ( 2.816 -1.026 0.000) 2.997 2.696 ( 3.051 -3.257 0.000) 4.462 2.711 ( 1.430 2.335 0.000) 2.738 2.770 ( -0.201 -2.761 0.000) 2.769 2.868 ( 3.678 6.378 0.000) 7.363 2.920 ( 4.132 1.706 0.000) 4.471 3.000 ( -0.099 -1.048 0.000) 1.053 3.026 ( -0.072 3.926 0.000) 3.927 3.135 ( 3.896 -5.095 0.000) 6.414 3.201 ( 0.226 3.390 0.000) 3.397 3.282 ( 2.714 -6.764 0.000) 7.288 3.365 ( 0.876 -2.283 0.000) 2.446 3.461 ( 6.813 5.790 0.000) 8.941 3.623 ( -3.152 -2.454 0.000) 3.995 3.630 ( -4.284 2.943 0.000) 5.197 3.714 ( -3.987 2.751 0.000) 4.844 3.753 ( -0.640 0.265 0.000) 0.693 3.796 ( -2.414 6.529 0.000) 6.961 4.011 ( -3.335 7.377 0.000) 8.096 4.352 ( -4.303 -4.798 0.000) 6.445 4.428 ( -3.731 -3.268 0.000) 4.960 4.468 ( 1.095 -4.870 0.000) 4.991 4.639 ( -3.654 -0.622 0.000) 3.707 4.833 ( -9.132 0.038 0.000) 9.132 5.024 ( -21.081 -6.345 0.000) 22.015 5.060 ( -6.126 -5.298 0.000) 8.099 5.553 ( 5.970 -0.016 0.000) 5.970 5.753 ( -21.126 1.777 0.000) 21.201 5.914 ( -25.013 -1.310 0.000) 25.047 6.159 ( -3.157 2.781 0.000) 4.207 6.321 ( -4.708 -3.958 0.000) 6.151 6.490 ( -0.685 1.282 0.000) 1.453 6.686 ( -7.335 -2.954 0.000) 7.908 6.765 ( -1.476 0.451 0.000) 1.543 6.942 ( -9.965 0.173 0.000) 9.967 6.973 ( 4.241 3.756 0.000) 5.665 7.309 ( -3.851 2.241 0.000) 4.455 7.487 ( -3.458 3.178 0.000) 4.696 7.912 ( 4.401 -2.401 0.000) 5.013 8.032 ( -16.041 -0.436 0.000) 16.047 8.124 ( 2.617 -0.073 0.000) 2.618 8.357 ( 22.504 1.971 0.000) 22.591 8.358 ( -0.623 0.779 0.000) 0.998 8.606 ( 0.387 1.603 0.000) 1.649 8.796 ( 6.895 -3.332 0.000) 7.658 8.901 ( -6.057 2.064 0.000) 6.399 9.213 ( 21.473 1.059 0.000) 21.499 9.365 ( -9.754 2.554 0.000) 10.083 9.487 ( -5.213 5.346 0.000) 7.467 9.677 ( -5.358 -1.753 0.000) 5.638 9.747 ( 2.750 -5.475 0.000) 6.127 10.398 ( -17.641 -0.550 0.000) 17.650 10.598 ( -11.596 -0.502 0.000) 11.606 10.901 ( 1.091 -4.661 0.000) 4.787 10.985 ( -6.976 2.076 0.000) 7.278 11.067 ( 0.256 3.763 0.000) 3.771 11.191 ( -7.137 -0.924 0.000) 7.197 11.233 ( -11.146 3.291 0.000) 11.622 11.408 ( -4.668 2.494 0.000) 5.293 11.537 ( -7.026 -0.730 0.000) 7.064 11.680 ( -5.273 -10.337 0.000) 11.605 11.844 ( -4.672 -3.486 0.000) 5.829 11.910 ( 0.325 2.192 0.000) 2.216 12.203 ( -0.161 0.437 0.000) 0.466 12.260 ( -1.364 -4.846 0.000) 5.034 12.301 ( 1.458 -6.180 0.000) 6.350 12.633 ( 2.631 -0.542 0.000) 2.686 12.779 ( -1.907 -1.166 0.000) 2.235 13.248 ( 5.253 -5.926 0.000) 7.919 13.468 ( 28.239 1.455 0.000) 28.277 13.828 ( 29.012 3.195 0.000) 29.187 15.757 ( -5.026 0.198 0.000) 5.030 16.078 ( 6.035 -2.315 0.000) 6.464 16.408 ( 4.981 0.261 0.000) 4.987 16.435 ( 5.934 2.058 0.000) 6.281 16.615 ( -5.036 1.084 0.000) 5.152 16.842 ( -1.139 0.782 0.000) 1.382 16.982 ( -12.518 -5.578 0.000) 13.705 17.196 ( -6.379 -3.242 0.000) 7.155 17.374 ( 0.195 2.683 0.000) 2.690 17.459 ( 0.015 -0.596 0.000) 0.596 17.794 ( 2.175 2.009 0.000) 2.961 17.811 ( 3.572 1.556 0.000) 3.897 18.863 ( -26.580 -7.183 0.000) 27.533 19.399 ( -20.232 -14.441 0.000) 24.857 19.685 ( 6.557 1.018 0.000) 6.636 19.913 ( 4.557 -0.072 0.000) 4.557 22.010 ( -6.863 7.579 0.000) 10.225 22.663 ( 12.429 -2.216 0.000) 12.625 22.774 ( 3.772 12.963 0.000) 13.501 23.205 ( 15.254 0.235 0.000) 15.256 ======================= Grid point 15 (11/75) ======================= q-point: (-0.33 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.216 ( -11.444 10.466 0.000) 15.508 1.325 ( -11.941 13.986 0.000) 18.390 1.527 ( -4.956 -1.085 0.000) 5.074 1.698 ( -4.154 6.089 0.000) 7.371 1.822 ( -3.719 3.141 0.000) 4.868 1.906 ( -5.331 -5.963 0.000) 7.998 2.142 ( -1.734 3.811 0.000) 4.187 2.259 ( -8.601 2.967 0.000) 9.098 2.328 ( -16.205 11.974 0.000) 20.149 2.355 ( -3.987 2.735 0.000) 4.835 2.468 ( -8.635 8.371 0.000) 12.027 2.704 ( 1.047 -4.274 0.000) 4.400 2.705 ( -2.232 -0.793 0.000) 2.369 2.720 ( 2.859 2.002 0.000) 3.490 2.824 ( 0.856 -5.134 0.000) 5.205 2.879 ( 1.966 -2.735 0.000) 3.369 2.979 ( -0.549 3.028 0.000) 3.077 3.004 ( 1.443 -1.666 0.000) 2.204 3.037 ( 4.964 0.087 0.000) 4.964 3.185 ( -0.319 2.644 0.000) 2.663 3.280 ( 5.458 -6.422 0.000) 8.428 3.299 ( -0.648 -0.025 0.000) 0.649 3.458 ( 3.086 10.393 0.000) 10.841 3.478 ( 2.799 -6.297 0.000) 6.891 3.493 ( -5.363 4.500 0.000) 7.001 3.638 ( 0.465 -6.797 0.000) 6.813 3.643 ( -1.399 3.498 0.000) 3.768 3.733 ( 2.073 4.224 0.000) 4.705 3.739 ( -1.627 -1.230 0.000) 2.039 3.877 ( -5.001 2.797 0.000) 5.730 4.194 ( -13.568 -0.494 0.000) 13.577 4.365 ( -6.720 -4.569 0.000) 8.127 4.522 ( -26.996 -2.704 0.000) 27.131 4.596 ( -3.753 -5.675 0.000) 6.803 4.618 ( 5.382 -4.769 0.000) 7.191 4.662 ( -8.242 -4.519 0.000) 9.399 4.953 ( -12.467 -11.601 0.000) 17.030 5.400 ( -15.110 -0.173 0.000) 15.111 5.620 ( -6.258 -1.235 0.000) 6.378 5.668 ( 6.168 1.651 0.000) 6.385 6.084 ( -1.412 4.333 0.000) 4.557 6.234 ( -7.105 -3.219 0.000) 7.800 6.399 ( -5.395 3.648 0.000) 6.513 6.478 ( -13.901 -1.655 0.000) 14.000 6.727 ( -1.970 1.694 0.000) 2.598 6.846 ( -0.731 1.890 0.000) 2.027 7.008 ( 2.233 2.344 0.000) 3.238 7.250 ( -1.703 0.834 0.000) 1.896 7.470 ( 3.587 4.328 0.000) 5.621 7.685 ( -17.712 -2.391 0.000) 17.873 7.935 ( -5.456 -3.419 0.000) 6.439 8.199 ( 5.038 2.428 0.000) 5.593 8.292 ( -7.982 -4.209 0.000) 9.024 8.533 ( -5.899 2.323 0.000) 6.340 8.704 ( 5.339 0.825 0.000) 5.403 8.752 ( -6.488 2.881 0.000) 7.098 8.800 ( 7.544 4.195 0.000) 8.632 9.110 ( -9.890 2.601 0.000) 10.227 9.362 ( -2.004 5.412 0.000) 5.771 9.582 ( -5.876 -1.645 0.000) 6.102 9.808 ( 0.716 -1.800 0.000) 1.937 9.874 ( 33.858 -6.233 0.000) 34.427 10.046 ( -19.220 -3.483 0.000) 19.533 10.384 ( -9.829 -1.487 0.000) 9.941 10.745 ( -11.922 3.007 0.000) 12.295 10.931 ( -13.179 -6.477 0.000) 14.684 10.989 ( 1.498 2.936 0.000) 3.296 11.018 ( -8.738 1.747 0.000) 8.911 11.085 ( 1.145 0.437 0.000) 1.226 11.270 ( -6.233 1.140 0.000) 6.336 11.544 ( 1.419 -3.507 0.000) 3.783 11.689 ( -1.893 -6.998 0.000) 7.249 11.791 ( -2.872 -4.166 0.000) 5.060 11.909 ( 0.916 1.011 0.000) 1.364 12.159 ( -4.237 0.002 0.000) 4.237 12.265 ( -0.638 -4.360 0.000) 4.407 12.427 ( 3.547 -7.151 0.000) 7.983 12.663 ( -3.521 -2.734 0.000) 4.458 12.744 ( -0.637 -0.668 0.000) 0.923 13.451 ( 9.095 -8.738 0.000) 12.612 14.064 ( 33.971 2.376 0.000) 34.054 14.404 ( 34.038 6.725 0.000) 34.696 15.671 ( -3.853 -0.054 0.000) 3.853 16.206 ( 3.811 -4.141 0.000) 5.628 16.439 ( -5.249 1.496 0.000) 5.459 16.499 ( 1.097 -3.806 0.000) 3.961 16.617 ( 7.857 1.968 0.000) 8.100 16.731 ( -6.942 -4.722 0.000) 8.396 16.908 ( -0.938 -1.360 0.000) 1.652 17.096 ( -7.219 -4.547 0.000) 8.532 17.313 ( -3.584 4.049 0.000) 5.407 17.409 ( -4.650 1.686 0.000) 4.946 17.821 ( 2.058 1.842 0.000) 2.762 17.859 ( 2.634 1.696 0.000) 3.132 18.335 ( -36.454 -12.162 0.000) 38.429 19.032 ( -35.863 -25.209 0.000) 43.836 19.767 ( 3.094 1.389 0.000) 3.391 20.027 ( 5.868 -1.337 0.000) 6.019 21.845 ( -1.921 12.325 0.000) 12.473 22.814 ( 15.890 20.850 0.000) 26.215 22.890 ( 9.598 -0.839 0.000) 9.635 23.497 ( 15.445 0.773 0.000) 15.465 ======================= Grid point 16 (12/75) ======================= q-point: (-0.22 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( -13.107 19.714 0.000) 23.673 0.878 ( -17.048 20.617 0.000) 26.753 1.429 ( -14.629 11.249 0.000) 18.453 1.620 ( -0.717 3.391 0.000) 3.466 1.679 ( -13.379 17.494 0.000) 22.023 1.768 ( -1.647 4.638 0.000) 4.922 1.861 ( -3.378 -4.554 0.000) 5.669 2.045 ( -3.546 4.837 0.000) 5.998 2.053 ( -12.124 2.424 0.000) 12.364 2.256 ( -7.601 6.634 0.000) 10.089 2.303 ( -0.696 0.695 0.000) 0.983 2.657 ( -1.936 1.141 0.000) 2.247 2.746 ( 1.998 3.128 0.000) 3.712 2.761 ( -2.565 -8.813 0.000) 9.179 2.833 ( -2.325 -0.723 0.000) 2.435 2.879 ( -0.196 4.296 0.000) 4.301 2.998 ( 1.915 -3.002 0.000) 3.561 3.004 ( -1.315 -2.502 0.000) 2.827 3.156 ( 5.600 -0.076 0.000) 5.600 3.185 ( 1.531 0.120 0.000) 1.536 3.324 ( -4.936 5.468 0.000) 7.366 3.326 ( 1.459 -3.167 0.000) 3.486 3.393 ( 2.648 1.294 0.000) 2.947 3.482 ( 2.204 0.349 0.000) 2.232 3.575 ( 1.527 1.003 0.000) 1.826 3.615 ( -0.247 -1.605 0.000) 1.624 3.628 ( -4.969 -1.112 0.000) 5.092 3.715 ( -2.547 2.660 0.000) 3.683 3.729 ( -0.887 -2.537 0.000) 2.687 3.826 ( -2.304 -8.033 0.000) 8.357 3.924 ( -8.297 1.237 0.000) 8.389 4.224 ( -6.387 -6.513 0.000) 9.123 4.283 ( -5.920 -8.444 0.000) 10.313 4.502 ( -5.296 -1.960 0.000) 5.647 4.608 ( -10.644 -7.469 0.000) 13.003 4.694 ( 0.134 -11.606 0.000) 11.607 4.966 ( 1.943 -2.094 0.000) 2.856 5.155 ( -3.422 1.690 0.000) 3.816 5.591 ( -1.218 -2.076 0.000) 2.407 5.750 ( 3.673 2.033 0.000) 4.198 6.033 ( 0.140 5.361 0.000) 5.363 6.133 ( -2.910 1.462 0.000) 3.257 6.250 ( -9.550 -0.798 0.000) 9.583 6.261 ( -4.784 3.770 0.000) 6.091 6.661 ( -1.976 4.228 0.000) 4.667 6.844 ( 1.699 1.829 0.000) 2.496 7.024 ( 1.035 1.383 0.000) 1.728 7.196 ( -4.048 -0.565 0.000) 4.087 7.457 ( -7.210 -2.685 0.000) 7.694 7.506 ( 3.419 5.379 0.000) 6.374 7.777 ( -10.504 -0.752 0.000) 10.531 8.079 ( -24.703 -13.908 0.000) 28.349 8.279 ( 5.593 3.157 0.000) 6.423 8.389 ( -7.185 -1.842 0.000) 7.418 8.567 ( -8.908 1.329 0.000) 9.006 8.626 ( -3.906 2.543 0.000) 4.661 8.943 ( -4.569 1.651 0.000) 4.858 9.071 ( 14.252 4.244 0.000) 14.870 9.327 ( 2.885 5.316 0.000) 6.048 9.490 ( -3.578 1.510 0.000) 3.883 9.742 ( -16.870 -6.583 0.000) 18.109 9.763 ( -4.275 2.384 0.000) 4.895 10.236 ( -3.207 -4.094 0.000) 5.201 10.520 ( 13.759 -3.211 0.000) 14.128 10.571 ( -2.837 1.167 0.000) 3.068 10.777 ( 3.917 -2.189 0.000) 4.487 10.830 ( -9.978 -0.381 0.000) 9.985 11.033 ( -0.782 -2.300 0.000) 2.430 11.113 ( 1.586 0.296 0.000) 1.613 11.205 ( 1.737 -2.262 0.000) 2.853 11.581 ( -1.479 -3.446 0.000) 3.750 11.677 ( -2.107 -0.827 0.000) 2.264 11.849 ( 3.726 -6.093 0.000) 7.142 11.912 ( -2.612 -1.568 0.000) 3.047 12.062 ( -2.857 1.291 0.000) 3.135 12.306 ( 1.578 -3.631 0.000) 3.959 12.534 ( -9.396 -2.266 0.000) 9.666 12.536 ( 2.058 -5.454 0.000) 5.829 12.777 ( 1.781 -0.665 0.000) 1.901 13.720 ( 9.018 -11.224 0.000) 14.398 14.646 ( 25.923 4.432 0.000) 26.299 15.020 ( 37.995 11.616 0.000) 39.731 15.612 ( -2.152 -0.048 0.000) 2.153 16.240 ( -9.689 -12.248 0.000) 15.617 16.314 ( -5.364 1.420 0.000) 5.549 16.491 ( -2.169 -5.362 0.000) 5.784 16.757 ( 2.614 -4.259 0.000) 4.997 16.776 ( 8.681 0.616 0.000) 8.703 16.919 ( 1.332 -0.193 0.000) 1.346 17.000 ( -6.425 -4.639 0.000) 7.925 17.177 ( -7.303 1.579 0.000) 7.471 17.269 ( -6.221 4.841 0.000) 7.883 17.696 ( -37.862 -13.431 0.000) 40.174 17.841 ( 0.870 1.817 0.000) 2.015 17.883 ( 1.324 1.552 0.000) 2.040 18.391 ( -56.408 -31.722 0.000) 64.716 19.791 ( 1.039 1.783 0.000) 2.063 20.131 ( 3.352 -1.149 0.000) 3.544 21.715 ( -0.047 15.274 0.000) 15.275 23.038 ( 5.195 0.082 0.000) 5.196 23.087 ( 33.265 24.199 0.000) 41.136 23.767 ( 11.546 -0.586 0.000) 11.561 ======================= Grid point 17 (13/75) ======================= q-point: (-0.11 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.424 ( -0.000 25.495 0.000) 25.495 0.474 ( -0.000 27.617 0.000) 27.617 0.828 ( -0.000 48.222 0.000) 48.222 1.592 ( -0.000 2.197 0.000) 2.197 1.599 ( 0.000 -0.638 0.000) 0.638 1.787 ( -0.000 5.404 0.000) 5.404 1.839 ( 0.000 -4.696 0.000) 4.696 1.862 ( 0.000 -3.765 0.000) 3.765 1.969 ( -0.000 3.527 0.000) 3.527 2.140 ( -0.000 7.643 0.000) 7.643 2.293 ( -0.000 0.524 0.000) 0.524 2.626 ( -0.000 1.126 0.000) 1.126 2.745 ( -0.000 3.438 0.000) 3.438 2.748 ( 0.000 -4.938 0.000) 4.938 2.792 ( -0.000 1.014 0.000) 1.014 2.856 ( -0.000 6.321 0.000) 6.321 3.015 ( 0.000 -2.845 0.000) 2.845 3.024 ( 0.000 -3.670 0.000) 3.670 3.213 ( 0.000 -1.414 0.000) 1.414 3.221 ( -0.000 4.324 0.000) 4.324 3.226 ( -0.000 0.311 0.000) 0.311 3.382 ( 0.000 -5.876 0.000) 5.876 3.413 ( 0.000 -1.042 0.000) 1.042 3.488 ( -0.000 3.971 0.000) 3.971 3.533 ( 0.000 -0.498 0.000) 0.498 3.579 ( -0.000 0.793 0.000) 0.793 3.598 ( -0.000 3.678 0.000) 3.678 3.720 ( 0.000 -1.097 0.000) 1.097 3.751 ( 0.000 -3.560 0.000) 3.560 3.793 ( -0.000 0.684 0.000) 0.684 3.906 ( 0.000 -7.716 0.000) 7.716 4.231 ( 0.000 -3.636 0.000) 3.636 4.303 ( 0.000 -9.378 0.000) 9.378 4.464 ( 0.000 -0.637 0.000) 0.637 4.515 ( 0.000 -5.420 0.000) 5.420 4.790 ( 0.000 -9.655 0.000) 9.655 4.862 ( -0.000 3.209 0.000) 3.209 5.391 ( 0.000 -10.146 0.000) 10.146 5.550 ( 0.000 -0.897 0.000) 0.897 5.774 ( -0.000 0.772 0.000) 0.772 5.990 ( -0.000 5.477 0.000) 5.477 6.118 ( -0.000 6.563 0.000) 6.563 6.156 ( 0.000 -0.375 0.000) 0.375 6.183 ( -0.000 2.733 0.000) 2.733 6.601 ( -0.000 4.366 0.000) 4.366 6.861 ( -0.000 0.240 0.000) 0.240 7.025 ( -0.000 0.794 0.000) 0.794 7.151 ( 0.000 -1.206 0.000) 1.206 7.418 ( 0.000 -1.694 0.000) 1.694 7.520 ( -0.000 1.024 0.000) 1.024 7.530 ( -0.000 9.800 0.000) 9.800 7.661 ( -0.000 0.011 0.000) 0.011 8.333 ( 0.000 -2.804 0.000) 2.804 8.339 ( -0.000 2.902 0.000) 2.902 8.434 ( -0.000 0.788 0.000) 0.788 8.569 ( -0.000 1.862 0.000) 1.862 8.887 ( -0.000 1.114 0.000) 1.114 9.205 ( -0.000 2.490 0.000) 2.490 9.400 ( -0.000 5.030 0.000) 5.030 9.413 ( -0.000 0.551 0.000) 0.551 9.520 ( 0.000 -1.457 0.000) 1.457 9.676 ( -0.000 2.558 0.000) 2.558 10.235 ( 0.000 -3.038 0.000) 3.038 10.559 ( 0.000 -1.291 0.000) 1.291 10.621 ( 0.000 -1.343 0.000) 1.343 10.666 ( 0.000 -0.530 0.000) 0.530 10.934 ( -0.000 2.457 0.000) 2.457 11.022 ( 0.000 -0.805 0.000) 0.805 11.130 ( 0.000 -0.049 0.000) 0.049 11.388 ( 0.000 -12.311 0.000) 12.311 11.530 ( -0.000 0.395 0.000) 0.395 11.656 ( 0.000 -0.012 0.000) 0.012 11.843 ( 0.000 -0.254 0.000) 0.254 11.974 ( 0.000 -6.233 0.000) 6.233 12.066 ( -0.000 0.506 0.000) 0.506 12.384 ( 0.000 -5.092 0.000) 5.092 12.430 ( 0.000 -1.054 0.000) 1.054 12.593 ( 0.000 -3.310 0.000) 3.310 12.801 ( 0.000 -0.523 0.000) 0.523 13.915 ( 0.000 -10.050 0.000) 10.050 14.882 ( -0.000 5.664 0.000) 5.664 15.591 ( 0.000 -0.022 0.000) 0.022 15.678 ( -0.000 0.396 0.000) 0.396 15.855 ( -0.000 1.287 0.000) 1.287 16.243 ( -0.000 1.183 0.000) 1.183 16.485 ( 0.000 -0.264 0.000) 0.264 16.839 ( 0.000 -4.120 0.000) 4.120 16.875 ( -0.000 0.146 0.000) 0.146 16.922 ( 0.000 -4.207 0.000) 4.207 16.924 ( 0.000 -0.361 0.000) 0.361 17.144 ( -0.000 5.788 0.000) 5.788 17.150 ( 0.000 -0.106 0.000) 0.106 17.285 ( 0.000 -12.124 0.000) 12.124 17.662 ( -0.000 1.571 0.000) 1.571 17.841 ( -0.000 1.568 0.000) 1.568 17.884 ( -0.000 1.173 0.000) 1.173 19.786 ( -0.000 1.488 0.000) 1.488 20.171 ( 0.000 -0.684 0.000) 0.684 21.590 ( -0.000 13.785 0.000) 13.785 23.086 ( -0.000 0.275 0.000) 0.275 23.557 ( 0.000 -1.801 0.000) 1.801 23.897 ( 0.000 -1.140 0.000) 1.140 ======================= Grid point 20 (14/75) ======================= q-point: ( 0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.454 ( 2.520 0.000 0.000) 2.520 1.606 ( -0.142 -0.000 0.000) 0.142 1.795 ( 10.820 0.000 0.000) 10.820 1.877 ( 4.815 0.000 0.000) 4.815 1.913 ( 12.462 0.000 0.000) 12.462 2.064 ( -2.035 -0.000 0.000) 2.035 2.371 ( 2.168 0.000 0.000) 2.168 2.380 ( -4.556 -0.000 0.000) 4.556 2.488 ( 2.563 0.000 0.000) 2.563 2.579 ( -0.047 -0.000 0.000) 0.047 2.603 ( 1.866 0.000 0.000) 1.866 2.606 ( -5.490 -0.000 0.000) 5.490 2.703 ( 4.639 0.000 0.000) 4.639 2.753 ( -2.285 -0.000 0.000) 2.285 2.839 ( 2.736 0.000 0.000) 2.736 2.843 ( -7.437 -0.000 0.000) 7.437 2.844 ( 1.164 0.000 0.000) 1.164 3.019 ( -4.001 -0.000 0.000) 4.001 3.058 ( -1.735 -0.000 0.000) 1.735 3.102 ( -1.590 -0.000 0.000) 1.590 3.115 ( 0.666 0.000 0.000) 0.666 3.178 ( 4.777 0.000 0.000) 4.777 3.323 ( -5.674 -0.000 0.000) 5.674 3.380 ( 3.660 0.000 0.000) 3.660 3.391 ( 5.114 0.000 0.000) 5.114 3.557 ( -2.071 -0.000 0.000) 2.071 3.797 ( 0.363 0.000 0.000) 0.363 3.822 ( 10.774 0.000 0.000) 10.774 3.908 ( 5.749 0.000 0.000) 5.749 3.920 ( -3.732 -0.000 0.000) 3.732 4.443 ( -5.057 -0.000 0.000) 5.057 4.505 ( -0.273 -0.000 0.000) 0.273 4.531 ( 9.437 0.000 0.000) 9.437 4.682 ( -7.229 -0.000 0.000) 7.229 4.909 ( 5.355 0.000 0.000) 5.355 5.174 ( -5.545 -0.000 0.000) 5.545 5.428 ( 5.074 0.000 0.000) 5.074 5.481 ( -4.440 -0.000 0.000) 4.440 6.103 ( 19.224 0.000 0.000) 19.224 6.199 ( 4.667 0.000 0.000) 4.667 6.250 ( 3.980 0.000 0.000) 3.980 6.392 ( -4.614 -0.000 0.000) 4.614 6.718 ( -3.251 -0.000 0.000) 3.251 6.718 ( 15.427 0.000 0.000) 15.427 6.772 ( -9.643 -0.000 0.000) 9.643 6.838 ( 1.766 0.000 0.000) 1.766 7.269 ( 20.804 0.000 0.000) 20.804 7.305 ( -0.117 -0.000 0.000) 0.117 7.613 ( 14.268 0.000 0.000) 14.268 7.825 ( -10.201 -0.000 0.000) 10.201 7.895 ( -13.353 -0.000 0.000) 13.353 8.096 ( -8.307 -0.000 0.000) 8.307 8.285 ( 3.301 0.000 0.000) 3.301 8.373 ( 12.027 0.000 0.000) 12.027 8.471 ( -22.840 -0.000 0.000) 22.840 8.561 ( -5.104 -0.000 0.000) 5.104 8.950 ( 5.415 0.000 0.000) 5.415 9.003 ( 0.431 0.000 0.000) 0.431 9.449 ( 5.077 0.000 0.000) 5.077 9.456 ( 7.075 0.000 0.000) 7.075 9.777 ( -4.024 -0.000 0.000) 4.024 9.961 ( -0.477 -0.000 0.000) 0.477 10.760 ( -5.281 -0.000 0.000) 5.281 10.770 ( 0.857 0.000 0.000) 0.857 10.818 ( 8.742 0.000 0.000) 8.742 10.854 ( 4.753 0.000 0.000) 4.753 11.018 ( 6.639 0.000 0.000) 6.639 11.267 ( 6.576 0.000 0.000) 6.576 11.467 ( 5.033 0.000 0.000) 5.033 11.526 ( -1.323 -0.000 0.000) 1.323 11.627 ( -6.096 -0.000 0.000) 6.096 11.702 ( 7.459 0.000 0.000) 7.459 11.983 ( 0.609 0.000 0.000) 0.609 12.008 ( 4.016 0.000 0.000) 4.016 12.161 ( -1.798 -0.000 0.000) 1.798 12.329 ( -11.178 -0.000 0.000) 11.178 12.527 ( 5.153 0.000 0.000) 5.153 12.535 ( -8.186 -0.000 0.000) 8.186 12.861 ( 3.534 0.000 0.000) 3.534 13.022 ( -15.884 -0.000 0.000) 15.884 13.255 ( -0.703 -0.000 0.000) 0.703 13.262 ( -15.050 -0.000 0.000) 15.050 15.838 ( 4.654 0.000 0.000) 4.654 16.010 ( -7.088 -0.000 0.000) 7.088 16.332 ( -1.294 -0.000 0.000) 1.294 16.368 ( -2.104 -0.000 0.000) 2.104 16.704 ( 6.480 0.000 0.000) 6.480 16.774 ( -2.500 -0.000 0.000) 2.500 17.274 ( 2.151 0.000 0.000) 2.151 17.280 ( 3.842 0.000 0.000) 3.842 17.332 ( 3.852 0.000 0.000) 3.852 17.458 ( -9.855 -0.000 0.000) 9.855 17.716 ( 0.938 0.000 0.000) 0.938 17.787 ( 0.840 0.000 0.000) 0.840 19.412 ( 9.895 0.000 0.000) 9.895 19.589 ( -15.103 -0.000 0.000) 15.103 19.650 ( -5.506 -0.000 0.000) 5.506 19.983 ( -5.359 -0.000 0.000) 5.359 21.988 ( 17.419 0.000 0.000) 17.419 22.489 ( -11.826 -0.000 0.000) 11.826 22.535 ( 17.678 0.000 0.000) 17.678 23.018 ( -6.688 -0.000 0.000) 6.688 ======================= Grid point 21 (15/75) ======================= q-point: ( 0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.469 ( -0.371 0.201 0.000) 0.421 1.582 ( -0.885 3.514 0.000) 3.624 1.851 ( -2.188 -4.296 0.000) 4.821 2.007 ( -1.712 3.178 0.000) 3.610 2.028 ( 5.823 0.904 0.000) 5.892 2.093 ( 2.523 -1.315 0.000) 2.845 2.255 ( -6.935 0.744 0.000) 6.975 2.344 ( -0.479 1.418 0.000) 1.497 2.467 ( -4.990 -2.445 0.000) 5.557 2.558 ( 0.201 -1.210 0.000) 1.227 2.594 ( -0.596 -1.011 0.000) 1.174 2.600 ( -0.031 0.449 0.000) 0.450 2.721 ( -2.307 3.800 0.000) 4.445 2.741 ( 0.479 1.050 0.000) 1.154 2.772 ( -2.074 -0.694 0.000) 2.188 2.884 ( 5.240 2.168 0.000) 5.671 2.942 ( 3.641 0.511 0.000) 3.677 2.961 ( 2.214 0.439 0.000) 2.257 3.033 ( -2.138 -1.200 0.000) 2.452 3.066 ( 2.921 5.211 0.000) 5.974 3.084 ( -1.369 -2.942 0.000) 3.245 3.261 ( 1.942 -1.166 0.000) 2.265 3.263 ( -2.608 -4.506 0.000) 5.206 3.441 ( 2.216 2.988 0.000) 3.720 3.518 ( 4.562 -1.039 0.000) 4.679 3.587 ( 2.638 -7.166 0.000) 7.636 3.806 ( 2.025 4.421 0.000) 4.862 3.861 ( -1.849 1.822 0.000) 2.596 3.968 ( 0.969 2.360 0.000) 2.551 4.024 ( 8.738 -1.950 0.000) 8.953 4.362 ( -3.676 -2.704 0.000) 4.564 4.456 ( -4.371 -0.662 0.000) 4.420 4.487 ( -11.744 1.564 0.000) 11.847 4.674 ( 3.775 0.040 0.000) 3.775 4.989 ( 2.222 -0.677 0.000) 2.323 5.031 ( -8.343 1.503 0.000) 8.477 5.311 ( -14.508 -0.666 0.000) 14.523 5.469 ( 1.688 0.166 0.000) 1.696 6.183 ( -14.126 2.249 0.000) 14.304 6.248 ( -1.756 0.347 0.000) 1.790 6.264 ( -2.643 -2.205 0.000) 3.442 6.381 ( 8.822 -1.440 0.000) 8.939 6.472 ( -21.467 0.601 0.000) 21.476 6.669 ( -2.121 -2.206 0.000) 3.060 6.840 ( -0.661 2.104 0.000) 2.205 6.947 ( 7.944 1.641 0.000) 8.112 7.170 ( -13.216 -1.174 0.000) 13.268 7.480 ( -4.472 1.798 0.000) 4.820 7.728 ( -17.765 0.859 0.000) 17.786 7.808 ( 2.920 0.621 0.000) 2.986 7.869 ( 21.057 -0.044 0.000) 21.057 7.922 ( 14.100 -2.221 0.000) 14.274 8.359 ( 1.994 0.358 0.000) 2.026 8.372 ( -13.603 0.437 0.000) 13.610 8.457 ( 14.391 -0.305 0.000) 14.394 8.550 ( 6.625 0.084 0.000) 6.626 8.998 ( -1.811 -0.072 0.000) 1.812 9.047 ( 5.291 0.063 0.000) 5.291 9.546 ( 2.030 -0.818 0.000) 2.188 9.554 ( 4.837 -1.896 0.000) 5.195 9.634 ( -9.734 1.015 0.000) 9.787 9.875 ( -6.953 3.320 0.000) 7.705 10.641 ( -8.534 -0.943 0.000) 8.586 10.761 ( -2.534 -0.237 0.000) 2.545 10.819 ( -5.680 -1.723 0.000) 5.936 10.955 ( 5.114 -0.443 0.000) 5.133 11.157 ( 5.076 -0.633 0.000) 5.116 11.356 ( -7.809 8.510 0.000) 11.550 11.393 ( 5.275 -0.962 0.000) 5.362 11.491 ( -5.615 1.278 0.000) 5.759 11.543 ( -6.094 -9.089 0.000) 10.943 11.810 ( 0.554 -1.908 0.000) 1.986 11.889 ( -15.803 2.768 0.000) 16.044 11.966 ( -2.341 0.203 0.000) 2.350 12.151 ( 0.997 -0.532 0.000) 1.130 12.201 ( 0.453 0.399 0.000) 0.603 12.339 ( -10.761 -1.193 0.000) 10.827 12.599 ( 2.580 0.929 0.000) 2.742 12.829 ( -4.626 0.637 0.000) 4.669 13.048 ( 16.768 0.396 0.000) 16.772 13.107 ( -3.045 -2.535 0.000) 3.962 13.402 ( 16.541 0.072 0.000) 16.542 15.877 ( -6.458 0.346 0.000) 6.467 15.935 ( 5.282 -0.439 0.000) 5.300 16.351 ( 3.186 0.630 0.000) 3.248 16.379 ( 3.450 0.829 0.000) 3.548 16.715 ( -3.887 -0.145 0.000) 3.890 16.809 ( 4.230 -0.105 0.000) 4.231 17.204 ( -16.009 -0.724 0.000) 16.025 17.244 ( -5.020 -1.363 0.000) 5.201 17.358 ( 3.897 0.068 0.000) 3.897 17.411 ( 4.176 0.284 0.000) 4.185 17.766 ( 3.746 0.414 0.000) 3.769 17.802 ( 1.176 0.903 0.000) 1.482 19.246 ( -20.507 0.305 0.000) 20.509 19.504 ( -11.998 -3.406 0.000) 12.472 19.571 ( 8.011 1.092 0.000) 8.085 19.903 ( -1.989 1.141 0.000) 2.293 22.271 ( -9.834 1.156 0.000) 9.901 22.325 ( 16.071 -1.918 0.000) 16.185 22.879 ( 17.228 -0.933 0.000) 17.254 22.931 ( -1.451 2.308 0.000) 2.726 ======================= Grid point 22 (16/75) ======================= q-point: (-0.56 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( -1.521 -0.356 0.000) 1.562 1.511 ( -2.567 5.555 0.000) 6.119 1.833 ( -4.122 -6.551 0.000) 7.740 1.918 ( -3.794 7.684 0.000) 8.569 1.990 ( -6.479 4.891 0.000) 8.117 2.021 ( -6.364 5.210 0.000) 8.224 2.194 ( 1.653 1.211 0.000) 2.049 2.371 ( 1.545 -2.250 0.000) 2.729 2.393 ( -5.089 -4.602 0.000) 6.861 2.560 ( -3.115 0.407 0.000) 3.141 2.570 ( -3.028 3.844 0.000) 4.893 2.621 ( 1.406 -2.891 0.000) 3.215 2.654 ( 1.342 -0.729 0.000) 1.527 2.731 ( 0.147 0.522 0.000) 0.542 2.759 ( 0.065 0.012 0.000) 0.066 2.938 ( 1.841 0.621 0.000) 1.943 2.950 ( 2.054 2.053 0.000) 2.904 3.003 ( 1.077 1.477 0.000) 1.828 3.072 ( 4.126 -0.062 0.000) 4.127 3.136 ( 7.789 5.964 0.000) 9.810 3.167 ( 3.744 -6.234 0.000) 7.272 3.271 ( 0.334 5.244 0.000) 5.255 3.278 ( -1.296 -7.024 0.000) 7.142 3.456 ( 0.860 -2.110 0.000) 2.279 3.561 ( -1.282 -3.127 0.000) 3.380 3.700 ( 1.856 -5.358 0.000) 5.670 3.774 ( 0.180 9.692 0.000) 9.694 3.797 ( -1.920 5.887 0.000) 6.192 3.909 ( -3.216 5.425 0.000) 6.306 4.146 ( -0.336 5.985 0.000) 5.994 4.241 ( -8.219 -6.437 0.000) 10.439 4.373 ( -0.143 -5.415 0.000) 5.417 4.374 ( -5.122 -2.821 0.000) 5.848 4.632 ( -7.932 -0.954 0.000) 7.989 4.835 ( -11.051 0.473 0.000) 11.061 4.919 ( -24.454 -5.424 0.000) 25.048 4.992 ( -8.070 -3.034 0.000) 8.621 5.551 ( 6.843 -0.111 0.000) 6.844 5.791 ( -25.637 2.901 0.000) 25.800 5.895 ( -23.039 -1.427 0.000) 23.083 6.206 ( -1.206 2.530 0.000) 2.803 6.290 ( -2.949 0.039 0.000) 2.949 6.487 ( 1.144 -1.422 0.000) 1.825 6.641 ( -5.275 -2.412 0.000) 5.801 6.785 ( -2.466 1.856 0.000) 3.087 6.930 ( -9.689 -1.258 0.000) 9.770 7.031 ( 3.454 2.643 0.000) 4.349 7.345 ( -5.146 1.837 0.000) 5.464 7.541 ( -1.703 2.879 0.000) 3.345 7.881 ( 2.309 -1.340 0.000) 2.670 8.031 ( -18.582 0.222 0.000) 18.583 8.121 ( 6.217 -0.359 0.000) 6.228 8.364 ( -2.666 0.092 0.000) 2.667 8.375 ( 26.003 0.339 0.000) 26.005 8.632 ( 2.236 1.380 0.000) 2.628 8.740 ( 7.750 -2.884 0.000) 8.270 8.925 ( -5.326 0.825 0.000) 5.390 9.237 ( 18.307 1.505 0.000) 18.369 9.404 ( -11.471 1.800 0.000) 11.612 9.557 ( -0.365 2.613 0.000) 2.638 9.672 ( 4.847 -3.218 0.000) 5.818 9.673 ( -10.111 0.957 0.000) 10.156 10.402 ( -16.908 0.636 0.000) 16.920 10.603 ( -11.052 1.330 0.000) 11.132 10.789 ( -2.731 -7.191 0.000) 7.692 10.996 ( -3.522 -0.359 0.000) 3.541 11.155 ( -4.077 6.941 0.000) 8.050 11.194 ( -2.034 0.412 0.000) 2.075 11.274 ( -13.978 1.585 0.000) 14.067 11.456 ( -0.476 2.596 0.000) 2.639 11.499 ( -6.009 -10.872 0.000) 12.422 11.539 ( -13.240 0.811 0.000) 13.265 11.786 ( -3.865 -3.057 0.000) 4.927 11.926 ( -1.382 -0.016 0.000) 1.382 12.196 ( 0.329 -2.527 0.000) 2.549 12.207 ( -0.992 0.091 0.000) 0.996 12.218 ( -1.562 -3.603 0.000) 3.927 12.629 ( 1.453 0.118 0.000) 1.458 12.772 ( -2.382 0.224 0.000) 2.393 13.149 ( 3.162 -5.382 0.000) 6.242 13.490 ( 28.899 1.039 0.000) 28.917 13.860 ( 29.906 0.924 0.000) 29.920 15.760 ( -5.425 0.119 0.000) 5.426 16.049 ( 5.632 -1.187 0.000) 5.755 16.428 ( 5.314 1.801 0.000) 5.611 16.473 ( 6.861 2.196 0.000) 7.203 16.626 ( -4.894 0.270 0.000) 4.902 16.851 ( -4.813 0.246 0.000) 4.819 16.899 ( -11.557 -3.968 0.000) 12.219 17.134 ( -7.823 -3.383 0.000) 8.523 17.409 ( 1.523 1.515 0.000) 2.148 17.469 ( 1.906 1.102 0.000) 2.202 17.821 ( 1.729 1.112 0.000) 2.056 17.834 ( 3.614 1.011 0.000) 3.752 18.781 ( -29.008 -2.832 0.000) 29.146 19.221 ( -22.485 -7.182 0.000) 23.604 19.713 ( 7.538 1.984 0.000) 7.795 19.898 ( 1.706 -1.351 0.000) 2.176 22.107 ( -4.734 3.937 0.000) 6.157 22.628 ( 13.723 -1.698 0.000) 13.828 22.930 ( 5.244 5.975 0.000) 7.950 23.208 ( 16.446 0.130 0.000) 16.446 ======================= Grid point 23 (17/75) ======================= q-point: (-0.44 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -5.223 9.101 0.000) 10.493 1.425 ( -1.508 -0.811 0.000) 1.712 1.669 ( -10.770 16.555 0.000) 19.750 1.797 ( -5.203 0.017 0.000) 5.203 1.820 ( -4.192 0.807 0.000) 4.269 1.878 ( -4.195 3.339 0.000) 5.362 2.214 ( 1.597 4.599 0.000) 4.869 2.312 ( -4.803 3.122 0.000) 5.729 2.414 ( -0.700 -2.393 0.000) 2.493 2.426 ( -5.059 5.763 0.000) 7.669 2.485 ( -5.776 -2.847 0.000) 6.440 2.685 ( 1.524 -2.253 0.000) 2.720 2.714 ( 1.300 -3.923 0.000) 4.133 2.766 ( 2.587 -0.250 0.000) 2.599 2.769 ( 1.317 0.400 0.000) 1.376 2.917 ( -5.697 13.412 0.000) 14.571 2.958 ( -0.440 -2.860 0.000) 2.894 3.033 ( -2.196 4.627 0.000) 5.122 3.064 ( 5.890 2.316 0.000) 6.329 3.210 ( -0.452 1.261 0.000) 1.340 3.253 ( 6.574 2.536 0.000) 7.046 3.257 ( 0.021 -4.694 0.000) 4.694 3.346 ( 2.033 -8.405 0.000) 8.647 3.513 ( 0.468 -7.262 0.000) 7.277 3.539 ( -2.606 -0.435 0.000) 2.642 3.643 ( -1.067 11.345 0.000) 11.395 3.698 ( -2.576 5.193 0.000) 5.797 3.744 ( -1.391 -1.364 0.000) 1.948 3.786 ( -3.848 5.451 0.000) 6.672 3.981 ( -4.857 6.969 0.000) 8.495 4.154 ( -11.325 -4.755 0.000) 12.282 4.296 ( -7.528 -3.630 0.000) 8.357 4.382 ( -21.025 -10.491 0.000) 23.497 4.473 ( -8.714 -8.059 0.000) 11.869 4.571 ( -2.284 -3.470 0.000) 4.154 4.614 ( -11.685 -1.845 0.000) 11.830 4.747 ( -17.705 -11.687 0.000) 21.215 5.391 ( -12.762 -0.166 0.000) 12.763 5.598 ( -9.688 -1.778 0.000) 9.850 5.696 ( 7.814 1.656 0.000) 7.988 6.164 ( 0.175 4.951 0.000) 4.955 6.219 ( -3.352 1.219 0.000) 3.567 6.448 ( -4.437 1.921 0.000) 4.835 6.457 ( -12.863 -0.852 0.000) 12.891 6.744 ( -0.785 0.557 0.000) 0.963 6.866 ( 0.678 0.372 0.000) 0.773 7.056 ( 1.864 2.981 0.000) 3.516 7.264 ( -2.705 0.814 0.000) 2.825 7.548 ( 4.465 4.750 0.000) 6.519 7.650 ( -18.959 -1.627 0.000) 19.029 7.881 ( -4.464 -2.839 0.000) 5.290 8.235 ( -11.598 -2.682 0.000) 11.904 8.242 ( 6.857 2.538 0.000) 7.311 8.575 ( -7.373 2.487 0.000) 7.781 8.715 ( -0.468 0.548 0.000) 0.721 8.795 ( -6.432 1.990 0.000) 6.733 8.866 ( 17.099 3.181 0.000) 17.393 9.151 ( -10.444 2.115 0.000) 10.655 9.444 ( -4.821 2.727 0.000) 5.539 9.592 ( 1.039 3.619 0.000) 3.766 9.755 ( 23.774 -5.301 0.000) 24.358 9.788 ( 9.115 -2.607 0.000) 9.480 10.016 ( -20.986 -0.388 0.000) 20.989 10.374 ( -10.517 0.447 0.000) 10.527 10.780 ( -7.427 -9.314 0.000) 11.913 10.791 ( -12.946 2.279 0.000) 13.145 11.007 ( -12.894 -1.695 0.000) 13.005 11.072 ( -4.693 4.776 0.000) 6.696 11.113 ( 1.281 2.539 0.000) 2.844 11.277 ( -7.638 -0.051 0.000) 7.638 11.518 ( 1.958 0.173 0.000) 1.966 11.533 ( 0.054 -10.781 0.000) 10.781 11.737 ( -3.378 -2.558 0.000) 4.237 11.914 ( -0.336 -0.348 0.000) 0.484 12.149 ( -5.293 -1.202 0.000) 5.428 12.202 ( 0.012 -3.008 0.000) 3.008 12.309 ( 3.322 -6.463 0.000) 7.267 12.624 ( -4.652 -1.645 0.000) 4.934 12.733 ( -0.228 -0.580 0.000) 0.623 13.300 ( 6.089 -8.721 0.000) 10.636 14.108 ( 35.576 2.533 0.000) 35.666 14.484 ( 35.426 2.945 0.000) 35.548 15.669 ( -3.954 -0.116 0.000) 3.956 16.155 ( 3.072 -1.803 0.000) 3.562 16.459 ( -5.530 -0.923 0.000) 5.606 16.472 ( -5.440 2.306 0.000) 5.909 16.646 ( 7.941 1.340 0.000) 8.053 16.652 ( -4.498 -4.641 0.000) 6.463 16.888 ( -0.051 -0.945 0.000) 0.947 17.015 ( -7.765 -4.660 0.000) 9.056 17.374 ( -3.549 3.165 0.000) 4.755 17.454 ( -1.727 3.112 0.000) 3.559 17.844 ( 0.879 0.698 0.000) 1.122 17.884 ( 2.545 1.233 0.000) 2.828 18.182 ( -36.076 -6.100 0.000) 36.589 18.746 ( -34.310 -10.810 0.000) 35.972 19.803 ( 3.997 2.982 0.000) 4.987 19.991 ( 5.085 -3.047 0.000) 5.928 22.021 ( 0.541 8.304 0.000) 8.322 22.876 ( 10.636 -0.783 0.000) 10.664 23.046 ( 13.254 8.465 0.000) 15.727 23.507 ( 14.736 0.450 0.000) 14.743 ======================= Grid point 24 (18/75) ======================= q-point: (-0.33 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.153 ( -6.404 17.167 0.000) 18.323 1.233 ( -13.410 21.475 0.000) 25.318 1.445 ( -1.811 -2.141 0.000) 2.804 1.688 ( -1.851 4.462 0.000) 4.831 1.792 ( -1.676 3.191 0.000) 3.604 1.792 ( -2.118 -3.511 0.000) 4.100 2.131 ( -11.226 9.045 0.000) 14.417 2.150 ( -2.376 7.635 0.000) 7.996 2.201 ( -9.902 23.949 0.000) 25.916 2.330 ( -1.001 3.023 0.000) 3.184 2.383 ( -4.713 8.421 0.000) 9.650 2.623 ( -5.360 -2.173 0.000) 5.784 2.687 ( -0.321 2.346 0.000) 2.367 2.771 ( 0.690 -3.685 0.000) 3.749 2.793 ( 0.559 -0.953 0.000) 1.105 2.867 ( 0.829 -5.786 0.000) 5.845 2.962 ( -1.317 -2.052 0.000) 2.438 2.998 ( 0.803 3.234 0.000) 3.332 3.164 ( 5.505 1.081 0.000) 5.610 3.190 ( 0.282 0.272 0.000) 0.392 3.284 ( 0.132 -2.810 0.000) 2.813 3.384 ( 4.986 -0.332 0.000) 4.997 3.402 ( -3.343 0.779 0.000) 3.432 3.511 ( 1.831 -3.261 0.000) 3.740 3.558 ( 0.404 4.418 0.000) 4.436 3.584 ( -2.990 -3.756 0.000) 4.801 3.632 ( -1.733 2.070 0.000) 2.700 3.675 ( -3.238 -5.061 0.000) 6.008 3.711 ( -0.712 0.615 0.000) 0.941 3.802 ( -11.023 3.422 0.000) 11.542 3.943 ( -9.666 0.836 0.000) 9.702 4.121 ( -3.866 -5.955 0.000) 7.100 4.147 ( -9.719 -7.572 0.000) 12.320 4.440 ( -12.483 -11.618 0.000) 17.053 4.449 ( -6.924 -3.878 0.000) 7.936 4.484 ( -1.394 -13.092 0.000) 13.166 4.873 ( 9.096 -10.332 0.000) 13.765 5.154 ( -10.780 1.257 0.000) 10.853 5.533 ( -2.825 -4.696 0.000) 5.480 5.798 ( 4.690 3.688 0.000) 5.967 6.130 ( 1.019 6.090 0.000) 6.175 6.178 ( 1.711 2.961 0.000) 3.420 6.242 ( -8.319 -0.122 0.000) 8.320 6.325 ( -4.798 3.597 0.000) 5.996 6.722 ( -0.503 2.677 0.000) 2.724 6.891 ( 2.899 3.497 0.000) 4.542 7.059 ( 0.996 2.722 0.000) 2.899 7.187 ( -5.677 -0.515 0.000) 5.700 7.408 ( -6.829 -2.919 0.000) 7.427 7.588 ( 2.257 4.251 0.000) 4.813 7.763 ( -8.287 -0.862 0.000) 8.332 7.975 ( -16.798 -1.267 0.000) 16.846 8.341 ( 6.263 4.162 0.000) 7.520 8.359 ( -11.187 -1.660 0.000) 11.310 8.593 ( -7.519 1.689 0.000) 7.707 8.669 ( -4.234 2.363 0.000) 4.849 8.974 ( -5.117 1.872 0.000) 5.449 9.160 ( 14.026 6.375 0.000) 15.407 9.400 ( 1.166 1.763 0.000) 2.113 9.558 ( -1.103 7.539 0.000) 7.620 9.680 ( -12.643 -1.346 0.000) 12.714 9.807 ( -1.426 2.688 0.000) 3.042 10.168 ( -1.679 -3.876 0.000) 4.224 10.430 ( 18.166 -8.225 0.000) 19.941 10.587 ( -4.976 0.822 0.000) 5.043 10.671 ( -4.953 -9.026 0.000) 10.296 10.794 ( -11.199 -2.942 0.000) 11.579 11.022 ( -0.786 0.554 0.000) 0.961 11.126 ( 1.332 1.299 0.000) 1.861 11.185 ( -1.473 0.387 0.000) 1.523 11.548 ( 0.430 -0.577 0.000) 0.719 11.642 ( 1.688 -5.571 0.000) 5.821 11.717 ( -0.837 -6.705 0.000) 6.757 11.895 ( -3.138 -0.611 0.000) 3.197 12.055 ( -3.986 -2.156 0.000) 4.532 12.241 ( 1.094 -3.612 0.000) 3.774 12.425 ( 2.315 -7.360 0.000) 7.715 12.494 ( -8.582 -2.315 0.000) 8.889 12.763 ( 1.471 -1.003 0.000) 1.781 13.512 ( 5.948 -12.763 0.000) 14.081 14.740 ( 30.451 6.283 0.000) 31.092 15.158 ( 37.595 4.991 0.000) 37.925 15.611 ( -2.138 -0.117 0.000) 2.141 16.099 ( -11.924 -4.014 0.000) 12.582 16.343 ( -5.244 1.908 0.000) 5.581 16.404 ( 1.547 -5.937 0.000) 6.135 16.681 ( -1.204 -4.256 0.000) 4.423 16.788 ( 6.651 0.831 0.000) 6.703 16.901 ( 0.265 -1.608 0.000) 1.630 16.927 ( -4.534 -3.984 0.000) 6.036 17.208 ( -11.319 2.060 0.000) 11.505 17.359 ( -3.824 5.612 0.000) 6.791 17.511 ( -34.509 -8.815 0.000) 35.617 17.874 ( 0.442 2.054 0.000) 2.101 17.910 ( 1.283 1.473 0.000) 1.953 18.124 ( -34.399 -6.369 0.000) 34.983 19.831 ( 1.630 2.963 0.000) 3.382 20.102 ( 3.428 -2.350 0.000) 4.156 21.961 ( 1.747 13.137 0.000) 13.253 23.040 ( 5.841 0.185 0.000) 5.844 23.295 ( 17.608 5.282 0.000) 18.383 23.755 ( 10.044 -0.860 0.000) 10.080 ======================= Grid point 25 (19/75) ======================= q-point: (-0.22 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.846 ( -0.000 25.182 0.000) 25.182 0.903 ( -0.000 23.564 0.000) 23.564 1.413 ( -0.000 9.063 0.000) 9.063 1.641 ( -0.000 3.491 0.000) 3.491 1.725 ( -0.000 17.060 0.000) 17.060 1.798 ( 0.000 -3.429 0.000) 3.429 1.844 ( -0.000 16.424 0.000) 16.424 1.907 ( -0.000 8.438 0.000) 8.438 2.056 ( -0.000 6.881 0.000) 6.881 2.272 ( -0.000 9.094 0.000) 9.094 2.307 ( -0.000 1.507 0.000) 1.507 2.627 ( 0.000 -9.400 0.000) 9.400 2.658 ( -0.000 2.891 0.000) 2.891 2.796 ( -0.000 1.565 0.000) 1.565 2.799 ( 0.000 -1.251 0.000) 1.251 2.937 ( 0.000 -6.733 0.000) 6.733 2.961 ( 0.000 -2.631 0.000) 2.631 2.971 ( -0.000 6.323 0.000) 6.323 3.198 ( 0.000 -0.177 0.000) 0.177 3.232 ( -0.000 0.405 0.000) 0.405 3.293 ( -0.000 0.549 0.000) 0.549 3.326 ( -0.000 2.125 0.000) 2.125 3.393 ( 0.000 -1.265 0.000) 1.265 3.522 ( 0.000 -0.786 0.000) 0.786 3.567 ( -0.000 4.707 0.000) 4.707 3.582 ( 0.000 -5.527 0.000) 5.527 3.598 ( -0.000 1.556 0.000) 1.556 3.682 ( 0.000 -4.269 0.000) 4.269 3.711 ( 0.000 -0.366 0.000) 0.366 3.772 ( 0.000 -6.345 0.000) 6.345 3.807 ( -0.000 0.908 0.000) 0.908 4.127 ( 0.000 -11.171 0.000) 11.171 4.158 ( 0.000 -4.835 0.000) 4.835 4.389 ( 0.000 -9.296 0.000) 9.296 4.418 ( 0.000 -4.381 0.000) 4.381 4.589 ( 0.000 -13.595 0.000) 13.595 4.940 ( -0.000 6.099 0.000) 6.099 5.165 ( 0.000 -16.395 0.000) 16.395 5.522 ( 0.000 -2.711 0.000) 2.711 5.810 ( -0.000 3.748 0.000) 3.748 6.093 ( -0.000 6.402 0.000) 6.402 6.149 ( 0.000 -0.436 0.000) 0.436 6.219 ( -0.000 4.428 0.000) 4.428 6.240 ( -0.000 3.821 0.000) 3.821 6.683 ( -0.000 4.728 0.000) 4.728 6.893 ( -0.000 3.916 0.000) 3.916 7.049 ( -0.000 2.128 0.000) 2.128 7.126 ( 0.000 -1.743 0.000) 1.743 7.381 ( 0.000 -2.567 0.000) 2.567 7.543 ( -0.000 1.661 0.000) 1.661 7.664 ( -0.000 0.445 0.000) 0.445 7.715 ( -0.000 11.059 0.000) 11.059 8.271 ( 0.000 -4.381 0.000) 4.381 8.402 ( -0.000 4.322 0.000) 4.322 8.460 ( -0.000 2.415 0.000) 2.415 8.606 ( -0.000 2.394 0.000) 2.394 8.910 ( -0.000 1.592 0.000) 1.592 9.265 ( -0.000 4.898 0.000) 4.898 9.425 ( -0.000 0.944 0.000) 0.944 9.477 ( 0.000 -1.187 0.000) 1.187 9.536 ( -0.000 8.786 0.000) 8.786 9.735 ( -0.000 4.394 0.000) 4.394 10.176 ( 0.000 -3.669 0.000) 3.669 10.528 ( 0.000 -2.414 0.000) 2.414 10.591 ( 0.000 -2.181 0.000) 2.181 10.655 ( 0.000 -0.837 0.000) 0.837 10.909 ( 0.000 -10.850 0.000) 10.850 11.004 ( 0.000 -1.238 0.000) 1.238 11.133 ( -0.000 0.524 0.000) 0.524 11.193 ( 0.000 -5.140 0.000) 5.140 11.538 ( -0.000 0.578 0.000) 0.578 11.656 ( 0.000 -0.025 0.000) 0.025 11.822 ( 0.000 -11.645 0.000) 11.645 11.837 ( 0.000 -0.374 0.000) 0.374 12.055 ( 0.000 -2.153 0.000) 2.153 12.294 ( 0.000 -5.057 0.000) 5.057 12.407 ( 0.000 -1.604 0.000) 1.604 12.507 ( 0.000 -6.682 0.000) 6.682 12.787 ( 0.000 -1.060 0.000) 1.060 13.698 ( 0.000 -14.904 0.000) 14.904 15.011 ( -0.000 9.391 0.000) 9.391 15.591 ( 0.000 -0.073 0.000) 0.073 15.684 ( -0.000 0.269 0.000) 0.269 15.884 ( -0.000 2.035 0.000) 2.035 16.270 ( -0.000 1.881 0.000) 1.881 16.478 ( 0.000 -0.458 0.000) 0.458 16.705 ( 0.000 -12.879 0.000) 12.879 16.857 ( 0.000 -3.246 0.000) 3.246 16.878 ( -0.000 0.229 0.000) 0.229 16.915 ( 0.000 -0.627 0.000) 0.627 17.068 ( 0.000 -10.609 0.000) 10.609 17.148 ( 0.000 -0.179 0.000) 0.179 17.254 ( -0.000 7.107 0.000) 7.107 17.724 ( -0.000 5.190 0.000) 5.190 17.874 ( -0.000 2.178 0.000) 2.178 17.909 ( -0.000 1.637 0.000) 1.637 19.822 ( -0.000 2.780 0.000) 2.780 20.151 ( 0.000 -1.652 0.000) 1.652 21.855 ( -0.000 16.207 0.000) 16.207 23.093 ( -0.000 0.543 0.000) 0.543 23.517 ( 0.000 -2.786 0.000) 2.786 23.872 ( 0.000 -1.814 0.000) 1.814 ======================= Grid point 30 (20/75) ======================= q-point: (-0.67 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.446 ( -1.945 -0.000 0.000) 1.945 1.574 ( -1.716 -0.000 0.000) 1.716 1.763 ( -4.127 -0.000 0.000) 4.127 1.980 ( -2.338 -0.000 0.000) 2.338 2.033 ( -5.876 -0.000 0.000) 5.876 2.090 ( -1.393 -0.000 0.000) 1.393 2.206 ( 2.741 0.000 0.000) 2.741 2.307 ( -9.466 -0.000 0.000) 9.466 2.378 ( 2.097 0.000 0.000) 2.097 2.565 ( -2.872 -0.000 0.000) 2.872 2.593 ( 0.814 0.000 0.000) 0.814 2.598 ( 3.386 0.000 0.000) 3.386 2.665 ( -5.331 -0.000 0.000) 5.331 2.735 ( -1.442 -0.000 0.000) 1.442 2.752 ( 0.889 0.000 0.000) 0.889 2.945 ( -1.138 -0.000 0.000) 1.138 2.962 ( 1.785 0.000 0.000) 1.785 3.036 ( 2.480 0.000 0.000) 2.480 3.063 ( 5.737 0.000 0.000) 5.737 3.096 ( 4.912 0.000 0.000) 4.912 3.204 ( -1.540 -0.000 0.000) 1.540 3.219 ( 7.683 0.000 0.000) 7.683 3.306 ( 2.724 0.000 0.000) 2.724 3.479 ( -0.705 -0.000 0.000) 0.705 3.535 ( -1.237 -0.000 0.000) 1.237 3.599 ( 3.167 0.000 0.000) 3.167 3.857 ( -0.710 -0.000 0.000) 0.710 3.891 ( 3.007 0.000 0.000) 3.007 3.954 ( -3.310 -0.000 0.000) 3.310 4.111 ( -0.607 -0.000 0.000) 0.607 4.259 ( -10.175 -0.000 0.000) 10.175 4.314 ( -0.158 -0.000 0.000) 0.158 4.348 ( -5.755 -0.000 0.000) 5.755 4.618 ( -9.977 -0.000 0.000) 9.977 4.842 ( -11.772 -0.000 0.000) 11.772 4.868 ( -29.386 -0.000 0.000) 29.386 4.965 ( -6.372 -0.000 0.000) 6.372 5.550 ( 7.274 0.000 0.000) 7.274 5.833 ( -32.603 -0.000 0.000) 32.603 5.868 ( -17.185 -0.000 0.000) 17.185 6.230 ( -0.192 -0.000 0.000) 0.192 6.297 ( -2.032 -0.000 0.000) 2.032 6.468 ( 1.758 0.000 0.000) 1.758 6.617 ( -3.864 -0.000 0.000) 3.864 6.806 ( -3.114 -0.000 0.000) 3.114 6.916 ( -10.044 -0.000 0.000) 10.044 7.053 ( 3.220 0.000 0.000) 3.220 7.362 ( -5.847 -0.000 0.000) 5.847 7.567 ( -0.763 -0.000 0.000) 0.763 7.869 ( 1.282 0.000 0.000) 1.282 8.034 ( -20.229 -0.000 0.000) 20.229 8.116 ( 8.635 0.000 0.000) 8.635 8.364 ( -3.518 -0.000 0.000) 3.518 8.376 ( 27.675 0.000 0.000) 27.675 8.645 ( 2.975 0.000 0.000) 2.975 8.714 ( 7.038 0.000 0.000) 7.038 8.931 ( -5.045 -0.000 0.000) 5.045 9.251 ( 17.468 0.000 0.000) 17.468 9.419 ( -11.865 -0.000 0.000) 11.865 9.577 ( 2.575 0.000 0.000) 2.575 9.645 ( 5.464 0.000 0.000) 5.464 9.686 ( -12.963 -0.000 0.000) 12.963 10.409 ( -16.212 -0.000 0.000) 16.212 10.629 ( -11.388 -0.000 0.000) 11.388 10.711 ( -3.196 -0.000 0.000) 3.196 10.990 ( -2.761 -0.000 0.000) 2.761 11.197 ( -0.790 -0.000 0.000) 0.790 11.261 ( -5.638 -0.000 0.000) 5.638 11.284 ( -14.249 -0.000 0.000) 14.249 11.363 ( -7.054 -0.000 0.000) 7.054 11.478 ( 3.066 0.000 0.000) 3.066 11.551 ( -17.078 -0.000 0.000) 17.078 11.758 ( -3.370 -0.000 0.000) 3.370 11.922 ( -1.966 -0.000 0.000) 1.966 12.178 ( 1.881 0.000 0.000) 1.881 12.185 ( -3.773 -0.000 0.000) 3.773 12.207 ( -1.484 -0.000 0.000) 1.484 12.632 ( 1.046 0.000 0.000) 1.046 12.777 ( -2.865 -0.000 0.000) 2.865 13.098 ( 2.568 0.000 0.000) 2.568 13.499 ( 29.163 0.000 0.000) 29.163 13.867 ( 30.178 0.000 0.000) 30.178 15.761 ( -5.601 -0.000 0.000) 5.601 16.039 ( 5.566 0.000 0.000) 5.566 16.447 ( 6.060 0.000 0.000) 6.060 16.494 ( 7.716 0.000 0.000) 7.716 16.627 ( -5.280 -0.000 0.000) 5.280 16.848 ( -16.231 -0.000 0.000) 16.231 16.868 ( -1.644 -0.000 0.000) 1.644 17.104 ( -8.141 -0.000 0.000) 8.141 17.422 ( 2.059 0.000 0.000) 2.059 17.480 ( 2.520 0.000 0.000) 2.520 17.830 ( 1.448 0.000 0.000) 1.448 17.842 ( 3.531 0.000 0.000) 3.531 18.760 ( -29.895 -0.000 0.000) 29.895 19.160 ( -22.698 -0.000 0.000) 22.698 19.734 ( 8.544 0.000 0.000) 8.544 19.883 ( -0.110 -0.000 0.000) 0.110 22.140 ( -3.976 -0.000 0.000) 3.976 22.613 ( 14.347 0.000 0.000) 14.347 22.978 ( 5.332 0.000 0.000) 5.332 23.209 ( 16.860 0.000 0.000) 16.860 ======================= Grid point 32 (21/75) ======================= q-point: (-0.56 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.407 ( -1.985 -0.695 0.000) 2.103 1.509 ( -2.509 5.553 0.000) 6.093 1.717 ( -2.517 -4.280 0.000) 4.965 1.895 ( -5.996 2.969 0.000) 6.691 1.918 ( -2.815 2.375 0.000) 3.682 1.957 ( -7.561 15.969 0.000) 17.669 2.217 ( -3.832 -13.760 0.000) 14.284 2.283 ( 5.110 3.016 0.000) 5.933 2.382 ( -1.894 1.507 0.000) 2.420 2.512 ( -2.287 2.248 0.000) 3.207 2.528 ( -5.073 5.300 0.000) 7.336 2.616 ( -0.536 -3.489 0.000) 3.530 2.667 ( 1.451 -2.786 0.000) 3.141 2.715 ( -0.925 -2.887 0.000) 3.032 2.781 ( 1.996 0.575 0.000) 2.077 2.924 ( -0.397 -1.056 0.000) 1.128 3.027 ( 5.199 1.694 0.000) 5.468 3.101 ( 5.146 1.896 0.000) 5.484 3.134 ( 0.444 1.729 0.000) 1.785 3.186 ( 0.783 -2.235 0.000) 2.368 3.221 ( 2.002 -5.811 0.000) 6.146 3.302 ( 0.276 5.291 0.000) 5.298 3.337 ( 3.423 6.668 0.000) 7.495 3.425 ( -1.763 -0.315 0.000) 1.791 3.518 ( -0.148 -0.943 0.000) 0.955 3.682 ( 0.567 -5.117 0.000) 5.148 3.801 ( -3.100 5.066 0.000) 5.939 3.841 ( -4.270 11.039 0.000) 11.836 3.857 ( -5.203 2.111 0.000) 5.614 4.022 ( -6.693 -8.208 0.000) 10.591 4.092 ( -12.309 5.159 0.000) 13.346 4.221 ( -16.949 -8.862 0.000) 19.127 4.253 ( -5.571 -1.227 0.000) 5.705 4.352 ( -16.308 -5.228 0.000) 17.126 4.490 ( -0.425 -4.224 0.000) 4.245 4.596 ( -13.028 -0.404 0.000) 13.035 4.623 ( -28.156 -3.045 0.000) 28.320 5.401 ( -9.926 0.899 0.000) 9.967 5.565 ( -13.836 -1.608 0.000) 13.929 5.718 ( 9.267 0.794 0.000) 9.301 6.232 ( 1.205 2.548 0.000) 2.819 6.250 ( -1.939 1.548 0.000) 2.481 6.448 ( -12.322 -0.273 0.000) 12.325 6.460 ( -2.824 -0.070 0.000) 2.825 6.752 ( -1.425 0.390 0.000) 1.477 6.862 ( 2.743 -0.469 0.000) 2.783 7.094 ( 1.813 1.292 0.000) 2.226 7.274 ( -3.507 0.279 0.000) 3.518 7.612 ( 4.558 2.353 0.000) 5.130 7.633 ( -19.936 -0.505 0.000) 19.942 7.846 ( -3.888 -1.229 0.000) 4.078 8.203 ( -12.626 -1.081 0.000) 12.672 8.275 ( 8.306 1.142 0.000) 8.384 8.607 ( -8.402 1.082 0.000) 8.471 8.723 ( -3.291 0.340 0.000) 3.309 8.816 ( -6.225 0.620 0.000) 6.256 8.898 ( 24.785 0.765 0.000) 24.796 9.176 ( -10.942 0.792 0.000) 10.970 9.458 ( -7.887 0.027 0.000) 7.887 9.662 ( 6.774 2.864 0.000) 7.354 9.685 ( 22.702 -2.345 0.000) 22.823 9.761 ( 5.883 -0.891 0.000) 5.950 10.021 ( -22.193 0.522 0.000) 22.199 10.395 ( -11.289 1.399 0.000) 11.375 10.654 ( -5.577 -4.782 0.000) 7.347 10.815 ( -13.055 0.657 0.000) 13.072 10.981 ( -14.996 -1.019 0.000) 15.031 11.127 ( -5.245 1.658 0.000) 5.501 11.178 ( 0.142 4.876 0.000) 4.878 11.277 ( -8.726 0.065 0.000) 8.727 11.363 ( 0.651 -8.447 0.000) 8.472 11.533 ( 2.141 0.934 0.000) 2.336 11.706 ( -2.528 -1.091 0.000) 2.754 11.903 ( -0.446 -0.686 0.000) 0.818 12.129 ( -6.797 -0.856 0.000) 6.850 12.168 ( 0.554 -0.961 0.000) 1.109 12.230 ( 2.544 -2.581 0.000) 3.624 12.610 ( -5.340 -0.214 0.000) 5.344 12.726 ( -0.539 -0.234 0.000) 0.588 13.189 ( 4.850 -3.791 0.000) 6.156 14.139 ( 36.765 1.058 0.000) 36.780 14.510 ( 35.656 0.562 0.000) 35.660 15.667 ( -4.021 -0.060 0.000) 4.021 16.140 ( 4.286 -0.294 0.000) 4.296 16.466 ( -15.331 1.309 0.000) 15.387 16.505 ( -6.473 1.239 0.000) 6.591 16.583 ( 2.476 -3.095 0.000) 3.963 16.660 ( 8.908 0.414 0.000) 8.918 16.877 ( -0.219 -0.344 0.000) 0.408 16.957 ( -7.359 -1.910 0.000) 7.603 17.412 ( -3.341 1.229 0.000) 3.560 17.495 ( -0.436 1.489 0.000) 1.551 17.846 ( -1.772 -0.177 0.000) 1.781 17.897 ( 2.360 0.367 0.000) 2.388 18.123 ( -34.020 -1.416 0.000) 34.049 18.636 ( -31.841 -3.016 0.000) 31.984 19.862 ( 4.425 3.984 0.000) 5.954 19.930 ( 4.746 -4.026 0.000) 6.224 22.114 ( 1.876 2.821 0.000) 3.388 22.866 ( 11.409 -0.321 0.000) 11.414 23.129 ( 10.888 2.197 0.000) 11.108 23.512 ( 14.254 0.125 0.000) 14.254 ======================= Grid point 33 (22/75) ======================= q-point: (-0.44 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -2.543 11.083 0.000) 11.371 1.391 ( -0.632 -1.569 0.000) 1.692 1.605 ( -11.852 20.506 0.000) 23.685 1.716 ( -1.366 -2.719 0.000) 3.043 1.782 ( -2.339 3.261 0.000) 4.013 1.847 ( -1.723 3.088 0.000) 3.536 2.215 ( -13.215 -5.343 0.000) 14.255 2.292 ( -0.016 9.204 0.000) 9.204 2.328 ( 2.961 -1.141 0.000) 3.173 2.407 ( -1.496 5.842 0.000) 6.030 2.417 ( -2.756 5.499 0.000) 6.151 2.649 ( -0.672 -8.832 0.000) 8.857 2.701 ( -0.030 -2.356 0.000) 2.356 2.749 ( -0.785 -7.433 0.000) 7.475 2.804 ( 1.265 2.271 0.000) 2.600 2.946 ( 1.218 -0.165 0.000) 1.229 2.973 ( -5.143 28.945 0.000) 29.398 3.064 ( 1.033 5.328 0.000) 5.427 3.185 ( 4.353 1.096 0.000) 4.489 3.190 ( -0.185 -0.348 0.000) 0.394 3.220 ( 0.376 -4.012 0.000) 4.030 3.307 ( 0.875 -7.455 0.000) 7.506 3.392 ( 2.935 1.257 0.000) 3.193 3.464 ( 0.604 -7.017 0.000) 7.043 3.539 ( 1.369 2.165 0.000) 2.561 3.628 ( -9.028 -0.186 0.000) 9.030 3.645 ( -5.460 1.750 0.000) 5.734 3.683 ( -3.029 4.916 0.000) 5.774 3.745 ( -3.258 2.461 0.000) 4.083 3.838 ( -8.706 0.949 0.000) 8.757 3.953 ( -10.850 0.265 0.000) 10.853 4.025 ( -1.926 -5.764 0.000) 6.077 4.038 ( -13.667 -5.541 0.000) 14.748 4.250 ( -12.264 -10.642 0.000) 16.237 4.281 ( -2.233 -10.365 0.000) 10.603 4.390 ( -8.675 -2.862 0.000) 9.135 4.666 ( 6.693 -11.682 0.000) 13.463 5.218 ( -8.182 5.775 0.000) 10.015 5.440 ( -3.424 -6.334 0.000) 7.201 5.859 ( 6.295 3.037 0.000) 6.989 6.215 ( -2.548 1.458 0.000) 2.936 6.226 ( 1.237 4.927 0.000) 5.080 6.243 ( -4.970 -0.066 0.000) 4.970 6.373 ( -4.458 1.941 0.000) 4.862 6.745 ( 0.336 0.323 0.000) 0.466 6.947 ( 5.664 2.741 0.000) 6.293 7.105 ( 0.991 2.433 0.000) 2.627 7.180 ( -7.114 -0.261 0.000) 7.119 7.366 ( -6.743 -2.009 0.000) 7.036 7.644 ( -0.852 2.325 0.000) 2.476 7.752 ( -6.017 -0.400 0.000) 6.030 7.975 ( -9.055 0.434 0.000) 9.065 8.337 ( -15.202 -0.916 0.000) 15.229 8.406 ( 6.783 3.177 0.000) 7.490 8.617 ( -5.923 1.088 0.000) 6.022 8.700 ( -4.394 1.328 0.000) 4.591 9.001 ( -5.755 1.215 0.000) 5.882 9.277 ( 16.225 7.138 0.000) 17.726 9.404 ( 0.497 -0.333 0.000) 0.598 9.628 ( -16.156 0.085 0.000) 16.156 9.748 ( 5.606 8.053 0.000) 9.812 9.844 ( 2.008 1.575 0.000) 2.552 10.094 ( 6.993 -6.087 0.000) 9.271 10.267 ( 4.581 -8.246 0.000) 9.433 10.552 ( -8.082 -4.672 0.000) 9.335 10.596 ( -7.189 0.233 0.000) 7.193 10.749 ( -10.363 -2.161 0.000) 10.586 11.027 ( -4.062 -0.113 0.000) 4.064 11.163 ( 1.192 3.358 0.000) 3.564 11.216 ( 2.630 2.606 0.000) 3.703 11.476 ( 2.187 -11.006 0.000) 11.221 11.553 ( 0.669 0.852 0.000) 1.084 11.673 ( -1.751 -0.865 0.000) 1.954 11.892 ( -2.511 0.277 0.000) 2.526 11.998 ( -6.328 -4.142 0.000) 7.563 12.197 ( 0.979 -1.638 0.000) 1.908 12.312 ( 2.108 -5.507 0.000) 5.897 12.464 ( -8.249 -1.179 0.000) 8.333 12.747 ( 1.200 -0.766 0.000) 1.424 13.331 ( 4.173 -8.148 0.000) 9.155 14.836 ( 34.908 4.761 0.000) 35.232 15.198 ( 35.343 0.375 0.000) 35.345 15.609 ( -2.097 -0.101 0.000) 2.099 16.094 ( -10.958 2.609 0.000) 11.264 16.294 ( 0.108 -6.916 0.000) 6.916 16.372 ( -5.429 1.419 0.000) 5.611 16.627 ( -3.609 -2.170 0.000) 4.211 16.805 ( 5.003 1.183 0.000) 5.141 16.871 ( -2.305 -2.720 0.000) 3.566 16.876 ( -0.286 -1.148 0.000) 1.183 17.245 ( -13.089 2.258 0.000) 13.283 17.397 ( -32.496 -5.034 0.000) 32.883 17.442 ( -2.337 3.976 0.000) 4.612 17.904 ( 0.322 1.424 0.000) 1.460 17.928 ( 1.187 0.612 0.000) 1.336 18.079 ( -23.808 -0.638 0.000) 23.817 19.885 ( 1.706 3.278 0.000) 3.696 20.056 ( 3.965 -2.910 0.000) 4.918 22.130 ( 3.006 6.925 0.000) 7.550 23.043 ( 6.469 0.169 0.000) 6.471 23.337 ( 10.930 0.835 0.000) 10.962 23.741 ( 8.829 -0.660 0.000) 8.854 ======================= Grid point 34 (23/75) ======================= q-point: (-0.33 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.242 ( -0.000 16.812 0.000) 16.812 1.257 ( -0.000 24.081 0.000) 24.081 1.412 ( 0.000 -2.627 0.000) 2.627 1.697 ( -0.000 2.440 0.000) 2.440 1.758 ( 0.000 -0.981 0.000) 0.981 1.810 ( -0.000 3.151 0.000) 3.151 2.032 ( -0.000 4.601 0.000) 4.601 2.195 ( -0.000 9.663 0.000) 9.663 2.285 ( -0.000 13.115 0.000) 13.115 2.356 ( -0.000 4.621 0.000) 4.621 2.459 ( 0.000 -9.092 0.000) 9.092 2.598 ( -0.000 35.660 0.000) 35.660 2.708 ( -0.000 1.106 0.000) 1.106 2.721 ( 0.000 -7.825 0.000) 7.825 2.796 ( -0.000 0.588 0.000) 0.588 2.808 ( 0.000 -8.518 0.000) 8.518 2.952 ( -0.000 1.030 0.000) 1.030 3.052 ( -0.000 3.789 0.000) 3.789 3.205 ( -0.000 0.634 0.000) 0.634 3.240 ( -0.000 0.521 0.000) 0.521 3.250 ( 0.000 -4.020 0.000) 4.020 3.363 ( 0.000 -3.354 0.000) 3.354 3.374 ( 0.000 -0.918 0.000) 0.918 3.510 ( 0.000 -0.636 0.000) 0.636 3.513 ( -0.000 1.665 0.000) 1.665 3.541 ( 0.000 -7.292 0.000) 7.292 3.631 ( -0.000 2.403 0.000) 2.403 3.647 ( 0.000 -0.608 0.000) 0.608 3.721 ( -0.000 1.161 0.000) 1.161 3.735 ( -0.000 2.147 0.000) 2.147 3.821 ( -0.000 0.678 0.000) 0.678 3.949 ( 0.000 -9.826 0.000) 9.826 4.071 ( 0.000 -6.021 0.000) 6.021 4.226 ( 0.000 -9.869 0.000) 9.869 4.336 ( 0.000 -4.886 0.000) 4.886 4.363 ( 0.000 -12.927 0.000) 12.927 4.874 ( 0.000 -17.347 0.000) 17.347 5.059 ( -0.000 7.946 0.000) 7.946 5.457 ( 0.000 -5.116 0.000) 5.116 5.888 ( -0.000 4.953 0.000) 4.953 6.143 ( 0.000 -0.285 0.000) 0.285 6.195 ( -0.000 5.765 0.000) 5.765 6.254 ( -0.000 0.196 0.000) 0.196 6.300 ( -0.000 3.044 0.000) 3.044 6.740 ( -0.000 1.946 0.000) 1.946 6.980 ( -0.000 5.698 0.000) 5.698 7.092 ( -0.000 2.859 0.000) 2.859 7.098 ( 0.000 -1.426 0.000) 1.426 7.338 ( 0.000 -2.386 0.000) 2.386 7.572 ( -0.000 1.765 0.000) 1.765 7.675 ( -0.000 0.751 0.000) 0.751 7.867 ( -0.000 6.801 0.000) 6.801 8.197 ( 0.000 -4.228 0.000) 4.228 8.471 ( -0.000 3.688 0.000) 3.688 8.509 ( -0.000 3.120 0.000) 3.120 8.642 ( -0.000 1.803 0.000) 1.803 8.935 ( -0.000 1.298 0.000) 1.298 9.375 ( -0.000 8.415 0.000) 8.415 9.442 ( -0.000 0.939 0.000) 0.939 9.442 ( 0.000 -2.039 0.000) 2.039 9.720 ( -0.000 11.610 0.000) 11.610 9.812 ( -0.000 4.564 0.000) 4.564 10.123 ( 0.000 -2.552 0.000) 2.552 10.483 ( 0.000 -2.788 0.000) 2.788 10.553 ( 0.000 -2.204 0.000) 2.204 10.582 ( 0.000 -23.681 0.000) 23.681 10.641 ( 0.000 -0.765 0.000) 0.765 10.984 ( 0.000 -1.101 0.000) 1.101 11.153 ( -0.000 2.126 0.000) 2.126 11.232 ( -0.000 5.867 0.000) 5.867 11.548 ( -0.000 0.484 0.000) 0.484 11.608 ( 0.000 -13.285 0.000) 13.285 11.655 ( 0.000 -0.028 0.000) 0.028 11.831 ( 0.000 -0.311 0.000) 0.311 11.994 ( 0.000 -4.824 0.000) 4.824 12.227 ( 0.000 -2.908 0.000) 2.908 12.381 ( 0.000 -1.399 0.000) 1.399 12.388 ( 0.000 -7.048 0.000) 7.048 12.768 ( 0.000 -1.130 0.000) 1.130 13.462 ( 0.000 -12.263 0.000) 12.263 15.179 ( -0.000 10.273 0.000) 10.273 15.589 ( 0.000 -0.087 0.000) 0.087 15.681 ( 0.000 -0.928 0.000) 0.928 15.918 ( -0.000 1.867 0.000) 1.867 16.301 ( -0.000 1.737 0.000) 1.737 16.450 ( 0.000 -15.314 0.000) 15.314 16.470 ( 0.000 -0.470 0.000) 0.470 16.818 ( 0.000 -1.446 0.000) 1.446 16.882 ( -0.000 0.207 0.000) 0.207 16.904 ( 0.000 -0.638 0.000) 0.638 16.959 ( 0.000 -3.506 0.000) 3.506 17.145 ( 0.000 -0.176 0.000) 0.176 17.368 ( -0.000 6.185 0.000) 6.185 17.813 ( -0.000 4.957 0.000) 4.957 17.907 ( -0.000 1.582 0.000) 1.582 17.932 ( -0.000 1.008 0.000) 1.008 19.874 ( -0.000 3.368 0.000) 3.368 20.117 ( 0.000 -2.428 0.000) 2.428 22.087 ( -0.000 11.020 0.000) 11.020 23.103 ( -0.000 0.595 0.000) 0.595 23.472 ( 0.000 -2.481 0.000) 2.481 23.842 ( 0.000 -1.670 0.000) 1.670 ======================= Grid point 41 (24/75) ======================= q-point: (-0.56 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( -0.772 -0.000 0.000) 0.772 1.496 ( -1.550 -0.000 0.000) 1.550 1.676 ( -0.113 -0.000 0.000) 0.113 1.817 ( -3.198 -0.000 0.000) 3.198 1.845 ( -5.449 -0.000 0.000) 5.449 1.919 ( -7.047 -0.000 0.000) 7.047 2.015 ( -9.128 -0.000 0.000) 9.128 2.368 ( 0.998 0.000 0.000) 0.998 2.417 ( 6.018 0.000 0.000) 6.018 2.470 ( -3.014 -0.000 0.000) 3.014 2.476 ( -3.060 -0.000 0.000) 3.060 2.535 ( -4.537 -0.000 0.000) 4.537 2.654 ( -1.322 -0.000 0.000) 1.322 2.667 ( -1.793 -0.000 0.000) 1.793 2.838 ( 3.022 0.000 0.000) 3.022 2.944 ( 2.342 0.000 0.000) 2.342 3.123 ( -0.285 -0.000 0.000) 0.285 3.148 ( 4.113 0.000 0.000) 4.113 3.174 ( -0.001 -0.000 0.000) 0.001 3.204 ( 4.137 0.000 0.000) 4.137 3.233 ( 0.870 0.000 0.000) 0.870 3.343 ( 1.428 0.000 0.000) 1.428 3.345 ( -4.047 -0.000 0.000) 4.047 3.433 ( 2.059 0.000 0.000) 2.059 3.554 ( 3.642 0.000 0.000) 3.642 3.624 ( -3.982 -0.000 0.000) 3.982 3.651 ( -14.297 -0.000 0.000) 14.297 3.755 ( -4.206 -0.000 0.000) 4.206 3.763 ( -4.258 -0.000 0.000) 4.258 3.841 ( -6.625 -0.000 0.000) 6.625 3.907 ( -10.554 -0.000 0.000) 10.554 3.978 ( -16.002 -0.000 0.000) 16.002 4.008 ( 0.228 0.000 0.000) 0.228 4.129 ( -16.597 -0.000 0.000) 16.597 4.185 ( -2.123 -0.000 0.000) 2.123 4.364 ( -9.533 -0.000 0.000) 9.533 4.562 ( 5.531 0.000 0.000) 5.531 5.322 ( -9.198 -0.000 0.000) 9.198 5.333 ( -1.038 -0.000 0.000) 1.038 5.886 ( 6.939 0.000 0.000) 6.939 6.230 ( -8.880 -0.000 0.000) 8.880 6.239 ( 0.077 0.000 0.000) 0.077 6.272 ( 1.358 0.000 0.000) 1.358 6.388 ( -4.091 -0.000 0.000) 4.091 6.745 ( 0.344 0.000 0.000) 0.344 6.971 ( 7.192 0.000 0.000) 7.192 7.128 ( 1.113 0.000 0.000) 1.113 7.178 ( -7.624 -0.000 0.000) 7.624 7.348 ( -6.910 -0.000 0.000) 6.910 7.663 ( -2.471 -0.000 0.000) 2.471 7.749 ( -4.956 -0.000 0.000) 4.956 7.979 ( -6.281 -0.000 0.000) 6.281 8.329 ( -16.898 -0.000 0.000) 16.898 8.434 ( 6.962 0.000 0.000) 6.962 8.627 ( -5.260 -0.000 0.000) 5.260 8.711 ( -4.431 -0.000 0.000) 4.431 9.011 ( -6.017 -0.000 0.000) 6.017 9.351 ( 19.325 0.000 0.000) 19.325 9.401 ( 0.511 0.000 0.000) 0.511 9.626 ( -16.489 -0.000 0.000) 16.489 9.826 ( 6.919 0.000 0.000) 6.919 9.857 ( 3.604 0.000 0.000) 3.604 10.011 ( 11.954 0.000 0.000) 11.954 10.209 ( -7.672 -0.000 0.000) 7.672 10.513 ( -6.480 -0.000 0.000) 6.480 10.597 ( -8.239 -0.000 0.000) 8.239 10.730 ( -9.732 -0.000 0.000) 9.732 11.025 ( -5.171 -0.000 0.000) 5.171 11.215 ( 1.007 0.000 0.000) 1.007 11.242 ( 4.671 0.000 0.000) 4.671 11.354 ( 1.637 0.000 0.000) 1.637 11.563 ( 0.400 0.000 0.000) 0.400 11.667 ( -1.217 -0.000 0.000) 1.217 11.900 ( 0.262 0.000 0.000) 0.262 11.951 ( -9.942 -0.000 0.000) 9.942 12.185 ( 1.068 0.000 0.000) 1.068 12.262 ( 1.837 0.000 0.000) 1.837 12.455 ( -8.301 -0.000 0.000) 8.301 12.740 ( 1.102 0.000 0.000) 1.102 13.260 ( 3.750 0.000 0.000) 3.750 14.880 ( 37.327 0.000 0.000) 37.327 15.196 ( 33.719 0.000 0.000) 33.719 15.608 ( -2.074 -0.000 0.000) 2.074 16.145 ( -14.495 -0.000 0.000) 14.495 16.208 ( 2.517 0.000 0.000) 2.517 16.385 ( -5.581 -0.000 0.000) 5.581 16.609 ( -3.995 -0.000 0.000) 3.995 16.823 ( 6.840 0.000 0.000) 6.840 16.840 ( -3.817 -0.000 0.000) 3.817 16.866 ( -0.419 -0.000 0.000) 0.419 17.271 ( -11.051 -0.000 0.000) 11.051 17.349 ( -34.144 -0.000 0.000) 34.144 17.477 ( -1.815 -0.000 0.000) 1.815 17.917 ( 0.403 0.000 0.000) 0.403 17.932 ( 1.128 0.000 0.000) 1.128 18.076 ( -20.886 -0.000 0.000) 20.886 19.921 ( 1.114 0.000 0.000) 1.114 20.024 ( 4.806 0.000 0.000) 4.806 22.188 ( 3.434 0.000 0.000) 3.434 23.045 ( 6.734 0.000 0.000) 6.734 23.342 ( 9.101 0.000 0.000) 9.101 23.735 ( 8.371 0.000 0.000) 8.371 ======================= Grid point 43 (25/75) ======================= q-point: (-0.44 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 75 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.000 -1.224 0.000) 1.224 1.448 ( -0.000 7.357 0.000) 7.357 1.635 ( -0.000 20.761 0.000) 20.761 1.688 ( 0.000 -2.020 0.000) 2.020 1.779 ( -0.000 1.751 0.000) 1.751 1.855 ( -0.000 1.679 0.000) 1.679 1.960 ( 0.000 -13.211 0.000) 13.211 2.369 ( -0.000 10.923 0.000) 10.923 2.402 ( -0.000 3.297 0.000) 3.297 2.411 ( -0.000 2.584 0.000) 2.584 2.452 ( -0.000 5.752 0.000) 5.752 2.563 ( 0.000 -10.533 0.000) 10.533 2.653 ( 0.000 -5.086 0.000) 5.086 2.673 ( 0.000 -6.360 0.000) 6.360 2.857 ( -0.000 3.966 0.000) 3.966 2.970 ( -0.000 0.764 0.000) 0.764 3.112 ( -0.000 4.760 0.000) 4.760 3.158 ( -0.000 15.195 0.000) 15.195 3.185 ( 0.000 -2.626 0.000) 2.626 3.215 ( -0.000 7.825 0.000) 7.825 3.247 ( -0.000 0.312 0.000) 0.312 3.262 ( 0.000 -5.135 0.000) 5.135 3.364 ( 0.000 -0.328 0.000) 0.328 3.449 ( 0.000 -1.307 0.000) 1.307 3.502 ( 0.000 -0.232 0.000) 0.232 3.594 ( -0.000 4.509 0.000) 4.509 3.610 ( 0.000 -2.323 0.000) 2.323 3.677 ( -0.000 2.701 0.000) 2.701 3.734 ( -0.000 0.051 0.000) 0.051 3.765 ( 0.000 -3.291 0.000) 3.291 3.816 ( 0.000 -5.480 0.000) 5.480 3.829 ( -0.000 0.242 0.000) 0.242 3.967 ( 0.000 -2.915 0.000) 2.915 4.064 ( 0.000 -8.951 0.000) 8.951 4.193 ( 0.000 -6.191 0.000) 6.191 4.274 ( 0.000 -2.119 0.000) 2.119 4.654 ( 0.000 -7.211 0.000) 7.211 5.191 ( -0.000 7.150 0.000) 7.150 5.358 ( 0.000 -6.067 0.000) 6.067 5.951 ( -0.000 2.125 0.000) 2.125 6.140 ( 0.000 -0.098 0.000) 0.098 6.247 ( 0.000 -0.496 0.000) 0.496 6.273 ( -0.000 2.990 0.000) 2.990 6.335 ( -0.000 1.129 0.000) 1.129 6.751 ( 0.000 -0.097 0.000) 0.097 7.054 ( -0.000 2.570 0.000) 2.570 7.082 ( 0.000 -0.535 0.000) 0.535 7.132 ( -0.000 1.554 0.000) 1.554 7.306 ( 0.000 -1.203 0.000) 1.203 7.596 ( -0.000 0.866 0.000) 0.866 7.685 ( -0.000 0.361 0.000) 0.361 7.939 ( -0.000 2.037 0.000) 2.037 8.143 ( 0.000 -1.840 0.000) 1.840 8.515 ( -0.000 1.429 0.000) 1.429 8.550 ( -0.000 1.450 0.000) 1.450 8.663 ( -0.000 0.647 0.000) 0.647 8.951 ( -0.000 0.490 0.000) 0.490 9.417 ( 0.000 -0.809 0.000) 0.809 9.454 ( -0.000 0.402 0.000) 0.402 9.528 ( -0.000 7.996 0.000) 7.996 9.872 ( -0.000 2.092 0.000) 2.092 9.876 ( -0.000 5.714 0.000) 5.714 10.101 ( -0.000 0.753 0.000) 0.753 10.226 ( 0.000 -16.306 0.000) 16.306 10.445 ( 0.000 -1.382 0.000) 1.382 10.524 ( 0.000 -1.089 0.000) 1.089 10.631 ( 0.000 -0.310 0.000) 0.310 10.971 ( 0.000 -0.440 0.000) 0.440 11.206 ( -0.000 3.841 0.000) 3.841 11.322 ( -0.000 3.639 0.000) 3.639 11.413 ( 0.000 -8.777 0.000) 8.777 11.553 ( -0.000 0.185 0.000) 0.185 11.655 ( 0.000 -0.012 0.000) 0.012 11.828 ( 0.000 -0.117 0.000) 0.117 11.918 ( 0.000 -3.241 0.000) 3.241 12.199 ( 0.000 -0.590 0.000) 0.590 12.296 ( 0.000 -3.340 0.000) 3.340 12.364 ( 0.000 -0.550 0.000) 0.550 12.754 ( 0.000 -0.479 0.000) 0.479 13.318 ( 0.000 -4.549 0.000) 4.549 15.325 ( -0.000 5.929 0.000) 5.929 15.588 ( 0.000 -0.038 0.000) 0.038 15.653 ( 0.000 -1.875 0.000) 1.875 15.941 ( -0.000 0.761 0.000) 0.761 16.260 ( 0.000 -6.348 0.000) 6.348 16.323 ( -0.000 0.712 0.000) 0.712 16.464 ( 0.000 -0.207 0.000) 0.207 16.805 ( 0.000 -0.318 0.000) 0.318 16.885 ( -0.000 0.083 0.000) 0.083 16.896 ( 0.000 -0.279 0.000) 0.279 16.926 ( 0.000 -0.897 0.000) 0.897 17.143 ( 0.000 -0.074 0.000) 0.074 17.444 ( -0.000 2.549 0.000) 2.549 17.876 ( -0.000 2.239 0.000) 2.239 17.923 ( -0.000 0.300 0.000) 0.300 17.942 ( -0.000 0.213 0.000) 0.213 19.923 ( -0.000 2.034 0.000) 2.034 20.079 ( 0.000 -1.668 0.000) 1.668 22.210 ( -0.000 3.736 0.000) 3.736 23.110 ( -0.000 0.266 0.000) 0.266 23.442 ( 0.000 -0.989 0.000) 0.989 23.821 ( 0.000 -0.682 0.000) 0.682 ======================= Grid point 85 (26/75) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.489 ( 0.000 0.000 25.308) 25.308 0.546 ( 0.000 0.000 28.150) 28.150 0.827 ( 0.000 0.000 41.420) 41.420 1.409 ( 0.000 0.000 -22.214) 22.214 1.537 ( 0.000 0.000 -22.474) 22.474 1.690 ( 0.000 0.000 8.109) 8.109 1.824 ( 0.000 0.000 -7.601) 7.601 2.085 ( 0.000 0.000 2.925) 2.925 2.223 ( 0.000 0.000 17.193) 17.193 2.230 ( 0.000 0.000 -6.616) 6.616 2.280 ( 0.000 0.000 13.405) 13.405 2.406 ( 0.000 0.000 -20.820) 20.820 2.649 ( 0.000 0.000 -6.660) 6.660 2.709 ( 0.000 0.000 -6.956) 6.956 2.815 ( 0.000 0.000 2.070) 2.070 2.953 ( 0.000 0.000 -4.736) 4.736 3.040 ( 0.000 0.000 3.497) 3.497 3.138 ( 0.000 0.000 4.288) 4.288 3.194 ( 0.000 0.000 -1.247) 1.247 3.222 ( 0.000 0.000 -0.209) 0.209 3.272 ( 0.000 0.000 4.152) 4.152 3.379 ( 0.000 0.000 0.043) 0.043 3.423 ( 0.000 0.000 0.058) 0.058 3.480 ( 0.000 0.000 -0.221) 0.221 3.480 ( 0.000 0.000 -3.344) 3.344 3.507 ( 0.000 0.000 0.890) 0.890 3.626 ( 0.000 0.000 3.307) 3.307 3.721 ( 0.000 0.000 -0.938) 0.938 3.754 ( 0.000 0.000 -3.018) 3.018 3.798 ( 0.000 0.000 -6.864) 6.864 4.107 ( 0.000 0.000 6.283) 6.283 4.322 ( 0.000 0.000 -2.434) 2.434 4.406 ( 0.000 0.000 -0.514) 0.514 4.418 ( 0.000 0.000 -1.600) 1.600 4.530 ( 0.000 0.000 -0.627) 0.627 4.548 ( 0.000 0.000 -1.176) 1.176 4.958 ( 0.000 0.000 11.445) 11.445 5.014 ( 0.000 0.000 11.877) 11.877 5.457 ( 0.000 0.000 -9.854) 9.854 5.552 ( 0.000 0.000 -15.225) 15.225 6.043 ( 0.000 0.000 10.270) 10.270 6.161 ( 0.000 0.000 0.156) 0.156 6.161 ( 0.000 0.000 0.134) 0.134 6.277 ( 0.000 0.000 13.953) 13.953 6.516 ( 0.000 0.000 -3.922) 3.922 6.799 ( 0.000 0.000 -6.116) 6.116 7.029 ( 0.000 0.000 1.343) 1.343 7.232 ( 0.000 0.000 6.781) 6.781 7.269 ( 0.000 0.000 -11.844) 11.844 7.573 ( 0.000 0.000 -8.118) 8.118 7.614 ( 0.000 0.000 10.429) 10.429 7.903 ( 0.000 0.000 11.134) 11.134 8.170 ( 0.000 0.000 -12.793) 12.793 8.320 ( 0.000 0.000 -9.688) 9.688 8.437 ( 0.000 0.000 5.692) 5.692 8.550 ( 0.000 0.000 -0.365) 0.365 8.909 ( 0.000 0.000 3.719) 3.719 9.244 ( 0.000 0.000 -11.747) 11.747 9.366 ( 0.000 0.000 5.643) 5.643 9.396 ( 0.000 0.000 3.244) 3.244 9.830 ( 0.000 0.000 13.216) 13.216 10.002 ( 0.000 0.000 -1.177) 1.177 10.105 ( 0.000 0.000 -5.257) 5.257 10.367 ( 0.000 0.000 -13.579) 13.579 10.820 ( 0.000 0.000 8.165) 8.165 10.970 ( 0.000 0.000 5.634) 5.634 11.011 ( 0.000 0.000 -2.026) 2.026 11.078 ( 0.000 0.000 1.756) 1.756 11.167 ( 0.000 0.000 3.401) 3.401 11.408 ( 0.000 0.000 -7.662) 7.662 11.596 ( 0.000 0.000 5.180) 5.180 11.658 ( 0.000 0.000 0.160) 0.160 11.895 ( 0.000 0.000 6.341) 6.341 11.925 ( 0.000 0.000 4.491) 4.491 12.026 ( 0.000 0.000 -2.847) 2.847 12.340 ( 0.000 0.000 -9.865) 9.865 12.348 ( 0.000 0.000 2.453) 2.453 12.571 ( 0.000 0.000 -4.920) 4.920 13.980 ( 0.000 0.000 -2.300) 2.300 13.984 ( 0.000 0.000 -1.632) 1.632 14.912 ( 0.000 0.000 6.756) 6.756 15.084 ( 0.000 0.000 -0.907) 0.907 15.893 ( 0.000 0.000 4.881) 4.881 16.155 ( 0.000 0.000 -6.708) 6.708 16.552 ( 0.000 0.000 5.472) 5.472 16.783 ( 0.000 0.000 -5.984) 5.984 16.877 ( 0.000 0.000 0.917) 0.917 16.945 ( 0.000 0.000 -0.200) 0.200 16.965 ( 0.000 0.000 -0.232) 0.232 17.005 ( 0.000 0.000 4.655) 4.655 17.022 ( 0.000 0.000 -4.963) 4.963 17.134 ( 0.000 0.000 -1.804) 1.804 17.494 ( 0.000 0.000 4.013) 4.013 17.604 ( 0.000 0.000 -1.195) 1.195 17.835 ( 0.000 0.000 0.731) 0.731 17.868 ( 0.000 0.000 -0.611) 0.611 20.171 ( 0.000 0.000 -0.314) 0.314 20.184 ( 0.000 0.000 -0.749) 0.749 21.329 ( 0.000 0.000 2.833) 2.833 21.444 ( 0.000 0.000 -1.970) 1.970 23.916 ( 0.000 0.000 0.816) 0.816 23.955 ( 0.000 0.000 -0.787) 0.787 ======================= Grid point 86 (27/75) ======================= q-point: ( 0.11 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.741 ( 17.604 -3.429 18.440) 25.723 0.796 ( 16.801 -8.954 17.672) 25.976 1.324 ( 34.377 -10.824 20.288) 41.359 1.530 ( 6.984 -1.565 -17.474) 18.883 1.551 ( 3.795 0.499 -16.001) 16.452 1.694 ( 1.958 -0.457 8.733) 8.961 1.870 ( 4.838 1.478 -5.654) 7.587 1.931 ( -5.335 1.182 9.173) 10.678 2.225 ( -0.022 0.124 -5.309) 5.310 2.288 ( 5.002 1.456 11.400) 12.534 2.351 ( 7.524 -4.552 11.521) 14.493 2.485 ( 6.233 -4.403 -17.127) 18.750 2.681 ( 2.774 -1.631 -6.368) 7.135 2.715 ( -0.887 -0.285 -1.088) 1.433 2.804 ( 1.456 -0.676 -0.357) 1.644 2.935 ( -2.279 4.293 2.433) 5.436 2.954 ( -0.878 1.389 -2.416) 2.921 3.077 ( -6.274 0.282 0.538) 6.304 3.179 ( -4.810 -0.556 1.235) 4.997 3.223 ( 1.895 0.346 -1.269) 2.307 3.251 ( -0.580 1.003 3.941) 4.108 3.349 ( -1.832 -2.189 1.100) 3.059 3.411 ( -4.235 3.615 0.930) 5.645 3.483 ( 0.294 -1.219 -3.611) 3.823 3.509 ( -0.374 -1.464 -1.516) 2.141 3.572 ( 1.384 -1.977 -3.424) 4.189 3.623 ( 2.613 -0.535 -2.204) 3.460 3.651 ( 5.549 -0.131 -2.644) 6.148 3.867 ( 5.898 3.935 3.532) 7.921 3.911 ( 5.841 -1.055 1.557) 6.137 4.027 ( -4.550 3.979 6.941) 9.204 4.301 ( 3.566 8.512 -5.892) 10.949 4.437 ( 5.292 7.499 1.732) 9.340 4.480 ( 5.023 0.002 -1.530) 5.251 4.602 ( 0.722 -5.489 -0.965) 5.620 4.760 ( 14.625 1.080 -11.190) 18.446 4.952 ( -2.288 -2.155 7.686) 8.304 5.178 ( 14.211 -1.152 11.861) 18.546 5.420 ( -4.329 -1.171 -13.631) 14.349 5.666 ( 8.863 0.011 -8.543) 12.310 6.049 ( 1.010 -0.903 8.434) 8.543 6.210 ( 3.904 -1.179 0.868) 4.169 6.263 ( 8.978 0.837 1.471) 9.136 6.293 ( 2.723 -1.017 9.180) 9.629 6.559 ( 3.702 -1.743 -3.757) 5.556 6.777 ( -1.584 0.497 -5.946) 6.174 7.023 ( -0.853 -0.659 1.462) 1.816 7.204 ( -2.746 -1.130 -4.880) 5.712 7.359 ( 8.945 0.167 3.572) 9.633 7.659 ( 3.236 0.686 9.633) 10.185 7.697 ( 10.316 -0.222 -7.459) 12.732 8.096 ( 10.477 2.053 -6.287) 12.390 8.228 ( 3.470 0.533 -15.196) 15.596 8.238 ( -2.598 -3.071 -3.459) 5.305 8.572 ( 8.246 -1.041 0.926) 8.363 8.595 ( 4.016 -1.274 0.040) 4.214 8.967 ( 5.288 -0.674 4.581) 7.029 9.230 ( -5.319 -0.341 -1.868) 5.648 9.370 ( 3.404 3.480 7.422) 8.876 9.460 ( 3.956 -2.789 2.519) 5.457 9.911 ( 7.677 -0.170 10.950) 13.374 9.965 ( 3.770 14.177 0.853) 14.695 10.180 ( 5.052 -1.774 -7.052) 8.854 10.399 ( 0.640 0.272 -11.157) 11.178 10.684 ( -18.317 5.902 8.636) 21.094 10.803 ( -14.307 -1.579 2.476) 14.605 10.883 ( 1.354 -3.386 6.638) 7.574 11.042 ( 2.060 0.586 -2.209) 3.077 11.171 ( 1.357 1.394 3.776) 4.247 11.250 ( -5.109 1.362 0.439) 5.306 11.638 ( 1.897 1.170 0.795) 2.366 11.682 ( 2.410 0.014 -0.491) 2.460 11.907 ( -0.003 0.567 3.524) 3.569 11.968 ( -3.136 1.888 0.161) 3.664 12.046 ( 7.338 -1.313 2.867) 7.987 12.349 ( 0.828 2.115 1.430) 2.684 12.414 ( 3.561 -0.543 -10.770) 11.356 12.592 ( 3.531 2.033 -3.803) 5.573 13.267 ( -28.233 9.252 29.280) 41.713 13.802 ( -14.176 5.081 -5.429) 16.008 14.651 ( -21.666 -0.653 3.302) 21.926 14.771 ( -30.024 -8.546 -1.685) 31.262 15.752 ( -2.696 -0.201 11.171) 11.494 16.164 ( 0.460 0.104 -9.575) 9.587 16.505 ( -0.847 2.182 6.444) 6.856 16.644 ( 1.969 5.056 -0.257) 5.432 16.780 ( -7.142 4.875 1.137) 8.722 16.811 ( -5.435 2.401 -0.063) 5.942 16.918 ( -0.112 -2.803 2.622) 3.840 17.059 ( 6.130 4.514 -1.579) 7.774 17.133 ( 5.493 -3.492 -1.916) 6.786 17.173 ( 6.093 -2.111 -2.243) 6.827 17.825 ( -1.317 -0.802 0.683) 1.687 17.857 ( -0.985 -0.660 -0.652) 1.353 18.005 ( 41.462 9.793 9.820) 43.720 18.815 ( 61.267 37.696 -39.315) 81.978 20.075 ( 1.792 20.323 7.359) 21.688 20.145 ( -2.778 1.560 0.227) 3.194 21.494 ( 0.425 -13.306 -0.433) 13.320 21.679 ( 2.248 -49.192 -18.094) 52.462 23.522 ( -27.213 -0.526 18.577) 32.954 23.766 ( -14.497 -0.537 -1.064) 14.545 ======================= Grid point 87 (28/75) ======================= q-point: ( 0.22 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 16.524 -6.918 9.841) 20.439 1.199 ( 18.012 -7.572 8.920) 21.479 1.618 ( 1.330 0.328 0.038) 1.371 1.643 ( 6.621 0.155 -2.353) 7.029 1.684 ( 4.965 -2.463 -6.206) 8.321 1.912 ( 4.554 2.128 -0.397) 5.042 1.963 ( 5.272 -1.146 -8.702) 10.239 2.162 ( 23.890 -9.168 5.874) 26.254 2.232 ( 5.494 -1.642 -2.604) 6.298 2.404 ( 7.533 0.721 8.535) 11.406 2.505 ( 3.727 -2.634 6.979) 8.339 2.668 ( 4.840 -0.552 -5.656) 7.465 2.697 ( -0.224 -1.658 1.394) 2.178 2.816 ( 7.692 0.814 -6.361) 10.015 2.827 ( -1.699 1.827 -0.106) 2.497 2.854 ( -0.245 0.028 -2.440) 2.453 2.915 ( -5.839 0.119 -0.381) 5.853 2.950 ( -1.441 -0.987 -7.370) 7.574 3.057 ( -7.834 -0.605 2.044) 8.119 3.150 ( -6.785 0.729 -0.811) 6.872 3.286 ( -0.490 1.281 -1.063) 1.735 3.306 ( -0.105 -1.572 -0.153) 1.583 3.366 ( 0.720 0.469 0.995) 1.314 3.438 ( -2.158 -1.033 -0.156) 2.398 3.496 ( -3.732 -3.264 -1.074) 5.073 3.592 ( -1.780 -5.883 -2.851) 6.776 3.685 ( 3.181 -0.201 4.566) 5.569 3.801 ( 3.924 5.741 1.851) 7.196 3.844 ( -0.357 3.874 4.788) 6.170 3.915 ( 2.877 1.283 1.917) 3.687 4.162 ( 10.797 -0.145 0.033) 10.798 4.348 ( 2.432 0.579 -6.658) 7.112 4.521 ( 6.667 2.755 3.128) 7.863 4.606 ( 8.015 0.798 -1.989) 8.297 4.739 ( 17.718 4.417 4.216) 18.741 4.869 ( -2.254 2.380 7.269) 7.974 5.032 ( 12.727 5.172 -6.759) 15.310 5.341 ( -1.043 -0.427 -15.665) 15.706 5.494 ( 14.928 -1.209 9.420) 17.693 5.807 ( 6.531 1.486 1.584) 6.883 6.104 ( 3.055 -2.499 6.955) 7.997 6.291 ( 4.295 1.557 -0.410) 4.587 6.380 ( 6.824 -1.390 4.530) 8.308 6.508 ( 14.712 1.465 -0.202) 14.786 6.670 ( 5.879 -1.249 -2.805) 6.633 6.752 ( -0.034 0.444 -5.997) 6.013 7.008 ( -1.696 -1.819 2.335) 3.411 7.176 ( -1.745 -2.469 -5.730) 6.479 7.470 ( 1.635 -0.042 6.521) 6.722 7.815 ( 14.782 1.032 8.723) 17.194 7.850 ( 2.645 1.493 -10.575) 11.003 8.170 ( 2.017 -1.434 -1.348) 2.818 8.243 ( -1.458 -4.905 -4.716) 6.959 8.337 ( 6.171 -0.687 -13.716) 15.056 8.713 ( 6.566 -2.181 0.382) 6.929 8.727 ( 6.101 -0.737 -0.249) 6.151 8.982 ( -17.101 0.929 15.372) 23.013 9.078 ( 3.545 -1.092 1.911) 4.173 9.460 ( 6.953 0.966 11.129) 13.158 9.541 ( 2.090 -1.018 -2.769) 3.615 9.863 ( -15.694 6.158 -4.158) 17.364 10.056 ( -5.506 6.524 13.860) 16.278 10.114 ( 11.891 7.197 -5.164) 14.828 10.399 ( 10.145 -0.214 -0.110) 10.148 10.616 ( 7.367 -4.953 -6.021) 10.727 10.733 ( 4.190 -1.761 -12.936) 13.711 10.942 ( 0.572 -2.401 3.085) 3.951 11.069 ( 1.298 -0.034 -2.367) 2.700 11.199 ( 6.093 2.626 8.156) 10.514 11.304 ( 7.069 -1.695 4.594) 8.600 11.648 ( 0.891 2.428 1.615) 3.049 11.744 ( 4.107 1.018 -1.594) 4.521 11.873 ( -3.099 2.759 1.031) 4.275 11.895 ( -0.660 1.872 1.538) 2.511 12.164 ( 3.727 -0.178 0.335) 3.746 12.334 ( 0.220 4.228 -0.111) 4.235 12.429 ( -1.188 1.162 -7.051) 7.244 12.638 ( 1.136 2.929 -6.665) 7.369 12.926 ( -6.935 2.446 15.223) 16.906 13.461 ( -15.104 4.780 -9.842) 18.650 14.128 ( -29.077 -0.835 6.929) 29.902 14.275 ( -28.071 -6.146 -0.377) 28.738 15.759 ( 2.077 -0.046 8.316) 8.572 16.148 ( -1.901 1.461 -9.625) 9.919 16.487 ( -1.998 -0.088 3.175) 3.753 16.551 ( -8.012 0.331 -1.592) 8.176 16.624 ( -3.521 2.930 3.895) 6.012 16.781 ( 2.493 2.278 -2.001) 3.925 16.985 ( 7.072 3.602 4.781) 9.265 17.139 ( 5.237 2.996 -1.140) 6.140 17.245 ( 3.542 -3.999 -0.094) 5.343 17.346 ( 8.109 -0.816 -5.231) 9.684 17.798 ( -2.337 -1.492 0.656) 2.849 17.828 ( -2.495 -1.161 -0.607) 2.818 18.659 ( 34.036 13.909 10.896) 38.349 19.311 ( 25.489 27.086 -20.776) 42.602 19.957 ( -0.258 12.216 8.312) 14.778 20.045 ( -6.328 0.961 0.634) 6.432 21.664 ( 5.018 -14.856 3.665) 16.104 22.058 ( 3.124 -30.103 -17.641) 35.031 23.115 ( -17.433 -2.168 14.127) 22.543 23.450 ( -17.262 -1.118 -3.756) 17.702 ======================= Grid point 88 (29/75) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.413 ( 7.320 -1.859 4.966) 9.038 1.523 ( 6.059 -0.245 5.269) 8.033 1.692 ( 9.369 -4.104 2.535) 10.538 1.798 ( 6.032 -3.621 -1.000) 7.106 1.826 ( 8.204 -6.066 -0.166) 10.205 1.973 ( 2.763 2.704 -5.606) 6.810 2.096 ( 8.162 0.072 -6.207) 10.254 2.277 ( 4.724 -1.409 -9.338) 10.560 2.489 ( 1.508 0.888 3.671) 4.067 2.524 ( 4.282 0.865 3.252) 5.446 2.633 ( 1.465 0.308 0.628) 1.623 2.665 ( 0.008 -1.403 0.849) 1.640 2.704 ( -2.401 1.767 0.877) 3.107 2.739 ( -1.491 2.696 0.743) 3.169 2.786 ( -5.665 -1.157 -2.002) 6.119 2.827 ( -0.279 4.796 -2.452) 5.394 2.901 ( -3.634 -1.725 0.926) 4.128 2.927 ( -3.670 0.347 -2.636) 4.531 3.006 ( 3.232 -0.886 -1.559) 3.696 3.090 ( 1.403 -3.621 -5.105) 6.414 3.257 ( 1.598 5.053 1.545) 5.520 3.299 ( -2.873 -6.503 2.458) 7.522 3.377 ( -4.066 -3.057 0.963) 5.177 3.431 ( -1.630 -0.150 3.091) 3.498 3.513 ( 5.408 -1.016 -4.573) 7.155 3.597 ( 0.112 -7.709 -0.633) 7.735 3.715 ( -0.223 -2.435 6.796) 7.222 3.795 ( -0.595 1.428 1.099) 1.898 3.878 ( 6.951 1.752 6.588) 9.736 3.991 ( 2.412 0.085 3.870) 4.561 4.284 ( 2.819 1.634 -5.947) 6.781 4.375 ( 3.439 3.642 -7.378) 8.918 4.595 ( 1.839 -0.901 5.714) 6.070 4.738 ( 4.480 2.346 0.828) 5.124 4.800 ( -0.934 -0.131 1.491) 1.764 5.071 ( -1.207 5.560 -7.677) 9.556 5.164 ( 21.373 3.473 4.403) 22.096 5.466 ( 8.982 -1.108 -8.382) 12.336 5.789 ( 15.263 0.459 6.006) 16.409 5.955 ( 12.198 3.228 0.532) 12.629 6.204 ( 5.448 -2.697 6.796) 9.118 6.352 ( 4.742 4.313 -3.878) 7.492 6.530 ( 6.697 -1.518 7.020) 9.821 6.723 ( 4.408 2.545 -1.100) 5.207 6.779 ( 4.994 0.002 0.307) 5.004 6.831 ( 10.901 1.097 -5.526) 12.271 6.996 ( -0.553 -3.584 3.603) 5.112 7.189 ( 1.320 -3.525 -7.018) 7.963 7.501 ( 3.518 0.019 4.804) 5.954 7.798 ( -4.803 0.992 -10.342) 11.446 8.116 ( 9.379 -0.838 4.399) 10.393 8.172 ( -1.044 -1.983 0.811) 2.384 8.218 ( -4.615 -4.840 -0.478) 6.705 8.478 ( 4.222 -0.104 -7.233) 8.376 8.581 ( -14.069 1.518 13.986) 19.896 8.843 ( 0.003 -0.508 -0.061) 0.511 8.875 ( 4.570 -1.863 1.455) 5.145 9.094 ( -7.096 -1.210 -9.061) 11.573 9.292 ( -14.749 0.198 2.199) 14.914 9.529 ( -1.016 2.275 -8.565) 8.920 9.699 ( 8.670 -1.188 16.189) 18.403 10.062 ( 4.806 8.262 15.704) 18.384 10.327 ( 13.304 3.600 -10.337) 17.228 10.656 ( 14.068 -0.327 3.113) 14.412 10.767 ( -1.255 -0.007 -13.555) 13.613 10.865 ( 10.195 -4.603 -5.813) 12.606 11.008 ( 2.853 -4.853 1.121) 5.740 11.112 ( 4.186 0.717 -2.315) 4.837 11.357 ( 9.133 -0.734 7.397) 11.776 11.466 ( 7.631 -0.270 7.173) 10.476 11.645 ( 1.498 1.786 5.640) 6.103 11.775 ( 0.724 3.638 -3.545) 5.131 11.854 ( 2.389 -1.277 -2.015) 3.376 11.868 ( 1.461 5.559 -1.651) 5.981 12.204 ( 0.516 0.196 0.002) 0.552 12.292 ( -0.115 4.503 -4.282) 6.214 12.363 ( -3.352 3.591 -2.721) 5.616 12.567 ( -5.658 1.153 -8.397) 10.191 12.841 ( -2.296 1.175 5.613) 6.177 13.161 ( -13.305 1.979 -9.608) 16.530 13.649 ( -19.400 0.246 11.653) 22.632 13.805 ( -23.456 -3.363 3.159) 23.905 15.812 ( 3.196 -0.046 5.682) 6.519 16.069 ( -4.389 1.843 -5.051) 6.941 16.394 ( -5.461 -0.125 -0.968) 5.548 16.408 ( -6.131 -0.204 -1.264) 6.264 16.640 ( 3.947 -0.344 4.301) 5.848 16.802 ( 0.090 -0.525 -2.642) 2.695 17.113 ( 9.758 5.394 3.557) 11.703 17.215 ( 4.578 1.187 -0.885) 4.812 17.328 ( 1.516 -3.271 0.641) 3.662 17.449 ( 2.454 1.862 -4.434) 5.399 17.764 ( -2.464 -1.826 0.392) 3.092 17.784 ( -2.843 -1.093 -0.456) 3.079 19.078 ( 20.955 10.665 6.972) 24.525 19.477 ( 10.054 12.936 -11.986) 20.300 19.847 ( -2.768 7.526 5.584) 9.772 19.908 ( -6.855 -0.721 0.931) 6.955 21.921 ( 9.968 -10.889 6.085) 15.968 22.326 ( 5.559 -14.352 -12.848) 20.049 22.843 ( -12.773 -1.758 9.970) 16.298 23.153 ( -14.071 -0.479 -4.876) 14.899 ======================= Grid point 89 (30/75) ======================= q-point: ( 0.44 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.505 ( 2.535 -0.317 4.137) 4.862 1.540 ( -0.544 1.227 4.379) 4.580 1.865 ( 4.465 -0.523 -3.686) 5.813 1.911 ( -0.554 -3.244 -3.991) 5.173 2.028 ( 6.289 0.132 1.171) 6.399 2.044 ( 5.884 -4.358 2.345) 7.689 2.236 ( 6.634 1.748 -0.809) 6.908 2.344 ( -2.399 0.662 -0.912) 2.651 2.477 ( 2.332 -2.410 -5.694) 6.609 2.572 ( -1.570 -0.214 -3.619) 3.950 2.606 ( -0.196 2.118 -0.528) 2.192 2.618 ( -2.049 0.663 -3.282) 3.926 2.664 ( -1.435 1.722 -0.521) 2.301 2.675 ( -0.704 3.145 3.068) 4.450 2.705 ( -3.297 -4.765 -1.407) 5.963 2.762 ( -2.600 4.808 -1.959) 5.807 2.856 ( -0.139 -0.259 -1.594) 1.621 2.871 ( -1.397 -0.150 -3.158) 3.456 3.074 ( 1.964 -0.450 0.906) 2.209 3.110 ( -1.187 0.276 -1.093) 1.637 3.244 ( -1.717 -2.972 2.165) 4.058 3.277 ( -3.052 2.217 0.237) 3.780 3.365 ( 2.811 -2.115 6.339) 7.250 3.417 ( -0.678 1.345 4.620) 4.860 3.609 ( 3.011 -4.008 0.786) 5.074 3.670 ( -0.638 0.197 0.220) 0.703 3.773 ( 4.768 -1.331 -0.023) 4.950 3.814 ( -0.414 -5.357 0.432) 5.390 3.960 ( 3.371 2.719 6.379) 7.710 3.999 ( -1.429 -0.227 8.169) 8.296 4.328 ( 2.986 -0.518 -8.697) 9.210 4.383 ( -0.149 3.408 -9.417) 10.015 4.629 ( 1.758 -1.686 6.189) 6.651 4.698 ( -2.970 2.079 4.855) 6.059 4.870 ( 3.268 -2.421 -6.868) 7.983 4.960 ( -3.319 5.183 -8.812) 10.748 5.446 ( 9.101 0.386 6.761) 11.344 5.542 ( -1.230 -0.110 4.855) 5.010 6.040 ( 9.323 0.579 -3.977) 10.152 6.114 ( 2.293 0.627 -7.852) 8.204 6.365 ( 7.387 -2.040 4.290) 8.782 6.424 ( 4.295 2.396 -4.147) 6.433 6.647 ( 6.115 2.178 10.264) 12.144 6.732 ( -1.768 0.900 1.460) 2.463 6.834 ( 1.720 -0.829 3.559) 4.039 6.890 ( -2.733 -0.090 3.090) 4.126 7.190 ( 14.570 0.864 -3.961) 15.124 7.291 ( 3.088 -3.994 -7.380) 8.942 7.659 ( 13.889 0.278 -0.289) 13.895 7.715 ( -0.357 -1.039 -3.695) 3.855 7.918 ( -17.922 -1.857 1.584) 18.088 8.014 ( -16.767 0.981 -3.329) 17.122 8.369 ( 1.129 -0.822 4.432) 4.647 8.422 ( 0.207 1.084 3.667) 3.829 8.489 ( 1.207 0.302 5.585) 5.721 8.638 ( -8.930 0.069 4.607) 10.049 8.983 ( 3.461 -1.262 -0.181) 3.689 9.020 ( -0.581 -0.679 -1.474) 1.724 9.312 ( 5.463 -3.113 -9.086) 11.049 9.446 ( -4.601 3.748 -12.040) 13.423 9.889 ( 7.321 -4.528 17.392) 19.405 10.029 ( -1.892 6.724 17.162) 18.530 10.538 ( 9.642 0.292 -12.219) 15.567 10.685 ( -5.019 1.723 -11.903) 13.032 10.907 ( 9.624 -0.330 4.287) 10.541 11.010 ( -1.367 -3.484 -1.462) 4.018 11.095 ( 3.741 -5.025 1.324) 6.403 11.176 ( 2.043 5.039 -2.245) 5.883 11.493 ( 1.830 -6.824 7.521) 10.319 11.548 ( 2.460 5.146 8.109) 9.914 11.734 ( 7.048 2.225 -1.215) 7.490 11.779 ( -1.205 -4.071 -6.240) 7.548 11.860 ( 4.746 4.040 0.029) 6.233 11.922 ( 1.885 1.552 -2.401) 3.424 12.175 ( -1.752 0.255 0.087) 1.773 12.226 ( -5.393 2.586 0.358) 5.992 12.323 ( 4.896 3.489 -8.971) 10.800 12.432 ( -7.848 -1.617 -10.678) 13.351 12.814 ( 1.346 0.406 0.588) 1.524 12.921 ( -9.818 0.147 -4.851) 10.952 13.416 ( -3.776 1.211 11.684) 12.338 13.480 ( -11.351 -1.605 8.139) 14.060 15.881 ( 3.701 -0.522 2.571) 4.537 15.967 ( -4.506 1.274 -0.916) 4.771 16.323 ( -1.859 -0.276 -0.889) 2.079 16.328 ( -2.248 -0.059 -0.906) 2.424 16.726 ( 4.053 -0.317 1.084) 4.208 16.787 ( -2.237 -0.672 -1.266) 2.657 17.266 ( 9.152 2.186 0.849) 9.447 17.293 ( 3.923 0.340 -0.365) 3.954 17.345 ( -1.720 -1.169 0.412) 2.120 17.407 ( -4.974 1.239 -1.985) 5.497 17.742 ( -1.072 -1.420 -0.027) 1.779 17.748 ( -1.118 0.054 -0.288) 1.156 19.329 ( 12.368 4.552 2.655) 13.444 19.481 ( -3.513 2.297 -3.885) 5.719 19.766 ( 1.328 5.137 1.552) 5.528 19.806 ( -5.110 -2.402 0.090) 5.647 22.207 ( 11.829 -6.002 5.465) 14.346 22.430 ( -5.368 0.052 -2.177) 5.792 22.725 ( 1.710 -5.327 1.209) 5.724 22.908 ( -10.713 2.539 -4.751) 11.991 ======================= Grid point 95 (31/75) ======================= q-point: ( 0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.086 ( 18.088 0.000 11.135) 21.241 1.136 ( 21.385 0.000 11.122) 24.105 1.614 ( 2.831 0.000 -2.455) 3.747 1.646 ( 5.378 0.000 -11.710) 12.886 1.672 ( 2.070 0.000 5.478) 5.856 1.936 ( 5.953 0.000 -1.942) 6.262 1.957 ( 3.235 0.000 -7.811) 8.454 2.064 ( 34.807 0.000 12.558) 37.003 2.230 ( 0.524 0.000 -7.403) 7.422 2.416 ( 7.443 0.000 9.761) 12.275 2.481 ( 4.562 0.000 7.269) 8.582 2.659 ( 10.634 0.000 -10.051) 14.633 2.679 ( -2.204 -0.000 2.406) 3.263 2.802 ( 10.439 0.000 -8.360) 13.374 2.845 ( 1.925 0.000 -4.186) 4.607 2.871 ( -4.189 -0.000 1.573) 4.474 2.912 ( -7.330 -0.000 0.033) 7.330 2.943 ( -3.025 -0.000 -7.258) 7.863 3.053 ( -6.986 -0.000 1.569) 7.160 3.174 ( -7.795 -0.000 -3.541) 8.562 3.232 ( -1.115 -0.000 7.285) 7.370 3.322 ( -4.244 -0.000 2.924) 5.154 3.381 ( 3.815 0.000 -1.173) 3.991 3.439 ( -2.323 -0.000 -3.214) 3.966 3.476 ( -4.285 -0.000 -4.233) 6.024 3.525 ( -2.655 -0.000 -2.223) 3.463 3.683 ( 3.092 0.000 4.762) 5.678 3.862 ( 8.239 0.000 -0.116) 8.240 3.897 ( 0.842 0.000 1.968) 2.141 3.915 ( -4.786 -0.000 4.776) 6.761 4.156 ( 11.335 0.000 2.036) 11.517 4.341 ( 1.974 0.000 -4.967) 5.345 4.553 ( 3.010 0.000 3.428) 4.562 4.605 ( 7.568 0.000 -0.132) 7.569 4.774 ( 19.294 0.000 4.025) 19.710 4.893 ( -2.575 -0.000 5.287) 5.880 5.076 ( 13.427 0.000 -8.047) 15.654 5.334 ( -1.690 -0.000 -16.795) 16.880 5.484 ( 16.313 0.000 11.013) 19.682 5.820 ( 7.128 0.000 1.818) 7.356 6.083 ( 3.165 0.000 6.980) 7.665 6.297 ( 5.473 0.000 -1.520) 5.680 6.375 ( 6.525 0.000 5.344) 8.434 6.521 ( 15.400 0.000 -0.720) 15.417 6.659 ( 6.831 0.000 -2.097) 7.146 6.760 ( -0.131 -0.000 -5.098) 5.099 6.993 ( -2.017 -0.000 1.718) 2.650 7.154 ( -1.817 -0.000 -6.302) 6.559 7.472 ( 1.882 0.000 7.279) 7.519 7.825 ( 14.710 0.000 8.107) 16.796 7.864 ( 3.109 0.000 -10.936) 11.369 8.176 ( -2.322 -0.000 -8.119) 8.445 8.178 ( 1.518 0.000 -1.081) 1.864 8.332 ( 5.318 0.000 -13.590) 14.593 8.693 ( 6.275 0.000 0.387) 6.286 8.721 ( 7.597 0.000 -1.301) 7.708 8.987 ( -18.262 -0.000 15.631) 24.038 9.069 ( 4.211 0.000 2.347) 4.821 9.475 ( 5.258 0.000 11.145) 12.323 9.530 ( 3.434 0.000 -4.352) 5.543 9.926 ( -24.466 -0.000 -3.940) 24.781 10.073 ( 7.350 0.000 14.487) 16.245 10.312 ( 8.720 0.000 -9.323) 12.766 10.339 ( 7.149 0.000 4.636) 8.521 10.544 ( 3.491 0.000 -5.535) 6.544 10.704 ( 6.293 0.000 -10.056) 11.863 10.920 ( 0.706 0.000 4.079) 4.139 11.069 ( 0.834 0.000 -2.888) 3.006 11.247 ( 5.353 0.000 7.118) 8.906 11.268 ( 7.039 0.000 5.004) 8.636 11.672 ( 0.984 0.000 -0.487) 1.098 11.750 ( 4.606 0.000 -2.233) 5.119 11.883 ( -5.196 -0.000 2.732) 5.870 11.924 ( 1.126 0.000 2.257) 2.522 12.162 ( 4.031 0.000 0.292) 4.042 12.379 ( 0.626 0.000 3.167) 3.228 12.430 ( -0.921 -0.000 -11.793) 11.829 12.664 ( 0.591 0.000 -6.256) 6.284 12.948 ( -8.771 -0.000 16.555) 18.735 13.503 ( -17.076 -0.000 -9.936) 19.756 14.126 ( -29.626 -0.000 5.875) 30.203 14.211 ( -24.912 -0.000 1.271) 24.944 15.759 ( 2.148 0.000 8.356) 8.628 16.161 ( -1.583 -0.000 -10.234) 10.356 16.487 ( -2.073 -0.000 2.947) 3.603 16.548 ( -9.045 -0.000 -1.634) 9.192 16.659 ( -5.811 -0.000 3.757) 6.919 16.799 ( 0.478 0.000 -1.917) 1.976 17.023 ( 9.665 0.000 5.979) 11.365 17.166 ( 3.282 0.000 1.073) 3.453 17.201 ( 3.208 0.000 -1.482) 3.534 17.342 ( 10.399 0.000 -7.017) 12.545 17.785 ( -2.339 -0.000 0.658) 2.430 17.818 ( -2.372 -0.000 -0.732) 2.483 18.791 ( 32.176 0.000 13.404) 34.856 19.547 ( 11.693 0.000 -19.848) 23.037 20.051 ( -6.967 -0.000 1.836) 7.205 20.200 ( -4.876 -0.000 -5.775) 7.559 21.471 ( 9.452 0.000 3.799) 10.187 21.727 ( 16.515 0.000 -9.701) 19.153 23.097 ( -16.728 -0.000 13.917) 21.760 23.439 ( -17.284 -0.000 -4.070) 17.756 ======================= Grid point 96 (32/75) ======================= q-point: ( 0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.393 ( 11.095 -0.626 5.980) 12.620 1.524 ( 15.801 0.288 5.464) 16.722 1.651 ( 2.671 -1.148 3.241) 4.354 1.750 ( 5.203 -1.697 -1.435) 5.658 1.754 ( 6.883 -2.322 -0.111) 7.265 2.002 ( 1.890 0.704 -7.356) 7.628 2.112 ( 11.291 1.135 -7.034) 13.351 2.264 ( 3.514 -0.219 -9.090) 9.748 2.507 ( 0.412 1.002 4.502) 4.630 2.529 ( 4.907 -0.215 4.563) 6.704 2.626 ( 12.582 -0.510 2.999) 12.944 2.641 ( -1.176 -0.805 1.773) 2.275 2.723 ( -5.049 0.039 -1.555) 5.284 2.772 ( -3.050 0.970 -2.415) 4.009 2.791 ( -3.142 0.851 1.577) 3.617 2.866 ( 1.400 0.377 -0.487) 1.530 2.913 ( -0.789 1.558 -3.592) 3.994 2.942 ( -3.036 2.044 -2.159) 4.250 3.012 ( 4.647 -0.612 -5.154) 6.966 3.036 ( -1.019 -1.123 -4.246) 4.508 3.220 ( -4.287 -1.088 5.655) 7.179 3.261 ( 0.102 -4.952 4.868) 6.945 3.364 ( -5.174 1.696 -1.939) 5.780 3.414 ( 0.344 -0.737 1.409) 1.627 3.466 ( -5.352 -5.156 -1.174) 7.523 3.508 ( 9.275 -0.521 -5.777) 10.940 3.693 ( -2.400 -0.386 7.487) 7.871 3.833 ( -2.789 1.949 1.949) 3.921 3.912 ( 5.610 1.680 7.179) 9.265 3.988 ( 2.368 -0.628 1.087) 2.681 4.315 ( 5.797 1.716 -2.541) 6.558 4.406 ( 2.661 -0.100 -5.125) 5.775 4.581 ( -0.029 -0.306 5.603) 5.611 4.749 ( 6.776 -0.206 -1.119) 6.871 4.814 ( -3.837 1.031 2.820) 4.872 5.139 ( -2.028 2.341 -8.387) 8.941 5.206 ( 19.821 1.298 2.386) 20.006 5.449 ( 7.789 -0.750 -8.771) 11.755 5.793 ( 15.981 0.138 7.963) 17.855 5.997 ( 11.812 1.499 0.958) 11.946 6.173 ( 5.949 -0.967 6.541) 8.894 6.394 ( 4.347 0.591 -4.420) 6.228 6.522 ( 9.085 0.356 7.569) 11.830 6.759 ( 2.158 1.727 -1.614) 3.201 6.784 ( 4.941 0.012 1.364) 5.126 6.843 ( 15.087 0.489 -4.305) 15.697 6.950 ( -1.903 -1.626 2.761) 3.727 7.145 ( 1.010 -1.524 -8.364) 8.562 7.509 ( 3.908 0.524 5.547) 6.805 7.822 ( -4.773 1.376 -11.782) 12.787 8.072 ( -5.812 -3.024 -3.345) 7.356 8.155 ( 13.133 -0.107 4.987) 14.049 8.173 ( -3.037 -1.021 -0.798) 3.302 8.475 ( 6.879 -0.151 -7.915) 10.488 8.596 ( -16.254 0.350 16.098) 22.879 8.835 ( 3.313 0.046 -0.552) 3.359 8.849 ( 4.112 -1.327 0.804) 4.395 9.081 ( -7.180 -0.381 -7.663) 10.508 9.298 ( -16.886 0.304 2.253) 17.038 9.563 ( 0.156 1.333 -11.174) 11.254 9.685 ( 5.345 -0.443 20.629) 21.315 10.173 ( 4.339 3.816 16.647) 17.622 10.428 ( 10.111 7.947 -12.031) 17.611 10.622 ( 12.417 -4.505 -0.333) 13.213 10.720 ( 7.558 -3.657 -5.982) 10.309 10.819 ( 4.823 -0.733 -6.474) 8.107 10.943 ( 2.639 -2.315 2.914) 4.563 11.107 ( 3.531 -0.594 -3.858) 5.264 11.387 ( 8.652 3.410 5.722) 10.919 11.441 ( 8.835 -2.610 5.880) 10.929 11.673 ( 0.178 1.351 2.146) 2.542 11.786 ( -4.830 -0.926 2.987) 5.754 11.853 ( 6.143 0.649 -3.622) 7.161 11.942 ( 1.692 2.479 -0.265) 3.013 12.206 ( 0.561 0.078 0.354) 0.668 12.361 ( -0.606 3.248 -4.482) 5.568 12.395 ( -2.676 0.067 -6.636) 7.156 12.585 ( -7.345 0.740 -7.352) 10.419 12.856 ( -2.951 0.462 5.400) 6.171 13.183 ( -15.404 0.657 -9.920) 18.334 13.651 ( -18.701 0.055 11.002) 21.697 13.756 ( -21.896 -1.898 5.010) 22.542 15.812 ( 3.084 -0.013 5.942) 6.695 16.093 ( -4.756 0.799 -5.655) 7.432 16.393 ( -6.134 0.027 -1.075) 6.227 16.410 ( -5.011 0.106 -2.420) 5.566 16.639 ( 3.007 0.089 5.147) 5.962 16.794 ( -0.758 -0.273 -2.066) 2.217 17.184 ( 7.188 2.524 3.211) 8.268 17.225 ( 3.779 1.097 0.957) 4.049 17.274 ( 3.055 -3.074 0.339) 4.347 17.479 ( 3.005 1.184 -6.026) 6.837 17.741 ( -2.216 -0.752 0.548) 2.404 17.774 ( -1.892 -0.189 -0.891) 2.100 19.227 ( 16.932 5.581 9.169) 20.048 19.633 ( 1.932 4.864 -8.055) 9.606 19.882 ( -10.387 -1.392 2.702) 10.823 20.020 ( -6.035 9.261 -2.670) 11.372 21.753 ( 14.513 -7.315 5.365) 17.115 22.106 ( 15.849 -8.747 -10.878) 21.120 22.828 ( -12.071 -0.327 9.473) 15.348 23.148 ( -12.711 -0.178 -5.195) 13.732 ======================= Grid point 97 (33/75) ======================= q-point: ( 0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.508 ( 2.388 0.566 5.266) 5.810 1.592 ( 0.686 4.531 3.536) 5.789 1.832 ( 2.339 -5.522 -3.620) 7.005 1.853 ( 6.495 -0.806 -2.275) 6.929 1.971 ( 9.657 -3.063 3.457) 10.705 2.042 ( 4.388 0.413 -1.274) 4.588 2.290 ( 7.178 3.833 -3.180) 8.737 2.348 ( 1.660 -0.110 -3.952) 4.288 2.448 ( -1.850 -0.822 -2.581) 3.280 2.543 ( -1.373 -1.910 -2.348) 3.324 2.599 ( -3.721 -0.786 -0.990) 3.930 2.627 ( -4.989 -2.339 -1.828) 5.805 2.684 ( -3.487 2.184 -2.464) 4.796 2.705 ( -0.454 2.614 -2.771) 3.837 2.752 ( 2.200 4.986 5.034) 7.419 2.846 ( -2.727 2.658 -1.869) 4.242 2.859 ( -0.097 1.578 0.753) 1.751 2.895 ( 0.027 4.462 -3.374) 5.594 3.068 ( 0.702 -1.647 -2.078) 2.743 3.102 ( 0.365 -1.425 -1.204) 1.901 3.164 ( -2.077 -3.432 4.577) 6.086 3.276 ( -2.722 -1.945 -0.677) 3.413 3.355 ( 2.982 -0.810 4.396) 5.374 3.412 ( -1.134 -3.145 1.734) 3.766 3.512 ( 5.164 -4.486 5.788) 8.960 3.652 ( -0.149 -2.888 2.669) 3.936 3.711 ( 4.893 -0.832 -0.565) 4.995 3.792 ( 2.063 -0.776 -2.323) 3.202 3.996 ( 1.110 1.673 5.499) 5.854 4.020 ( 3.269 1.194 8.210) 8.917 4.336 ( -1.184 1.864 -7.335) 7.660 4.425 ( -0.461 1.240 -8.827) 8.926 4.585 ( -0.277 -2.530 5.340) 5.915 4.733 ( -2.761 1.186 4.099) 5.082 4.853 ( 3.669 0.217 -4.707) 5.972 5.046 ( -3.876 4.518 -7.836) 9.841 5.449 ( 6.559 0.316 3.616) 7.496 5.529 ( -0.286 -1.465 2.555) 2.959 6.048 ( 8.490 0.427 -1.653) 8.660 6.124 ( 0.416 0.532 -6.032) 6.069 6.338 ( 9.342 -1.085 6.429) 11.392 6.452 ( 1.268 0.507 -2.517) 2.864 6.698 ( 6.049 3.627 6.484) 9.580 6.743 ( -1.991 0.569 1.387) 2.492 6.818 ( -0.133 -0.634 4.545) 4.590 6.889 ( -1.389 -0.522 3.388) 3.699 7.208 ( 17.393 1.067 -5.016) 18.134 7.236 ( 5.333 -2.508 -7.340) 9.413 7.663 ( 13.261 0.128 1.919) 13.400 7.715 ( -2.341 1.213 -4.942) 5.601 7.874 ( -14.310 -3.185 -1.310) 14.719 8.028 ( -14.350 0.572 -5.881) 15.519 8.358 ( 0.800 -0.444 5.305) 5.383 8.445 ( 1.202 1.586 4.917) 5.305 8.488 ( -1.155 -0.507 4.841) 5.003 8.640 ( -9.222 0.174 4.035) 10.067 8.960 ( 4.443 -1.220 -0.052) 4.607 9.007 ( 0.598 -0.750 -1.231) 1.561 9.273 ( 4.625 -1.485 -6.258) 7.922 9.505 ( -4.230 2.947 -13.857) 14.785 9.809 ( 4.069 -3.820 19.305) 20.095 10.160 ( -1.042 7.238 16.730) 18.258 10.551 ( 6.201 1.317 -13.784) 15.172 10.690 ( -5.331 -1.054 -8.827) 10.365 10.896 ( 9.930 -0.785 3.533) 10.569 10.967 ( 3.147 -1.575 2.065) 4.081 11.024 ( 3.727 -3.238 -0.242) 4.943 11.213 ( 4.977 -1.487 -5.668) 7.688 11.437 ( -1.652 1.769 4.480) 5.092 11.587 ( 4.025 -1.389 5.551) 6.996 11.711 ( -4.849 -2.290 0.240) 5.368 11.743 ( 7.591 -0.405 3.751) 8.477 11.940 ( 1.523 4.031 -1.531) 4.573 11.955 ( 3.246 1.876 -3.813) 5.348 12.176 ( -2.787 0.110 1.171) 3.025 12.274 ( -6.719 2.629 -2.209) 7.546 12.374 ( 1.690 2.468 -10.227) 10.656 12.412 ( -7.859 -0.752 -10.589) 13.208 12.819 ( 0.829 0.212 0.206) 0.880 12.922 ( -10.406 0.012 -4.786) 11.454 13.426 ( -4.404 0.114 10.847) 11.708 13.447 ( -10.843 -1.936 9.775) 14.727 15.874 ( 3.264 -0.292 2.992) 4.438 15.986 ( -5.072 0.936 -1.497) 5.370 16.320 ( -1.469 0.006 -0.789) 1.668 16.339 ( -1.549 0.817 -1.531) 2.326 16.721 ( 4.475 -0.319 1.219) 4.649 16.775 ( -1.757 -0.626 -0.854) 2.052 17.274 ( 2.871 -1.070 0.315) 3.081 17.302 ( 5.032 1.146 0.532) 5.188 17.328 ( 0.289 -0.805 0.491) 0.986 17.427 ( -6.611 0.825 -2.489) 7.112 17.726 ( 0.273 -0.532 0.416) 0.729 17.759 ( 0.540 1.009 -1.056) 1.557 19.418 ( 8.788 5.292 3.804) 10.941 19.539 ( -8.146 4.549 -0.955) 9.379 19.729 ( -7.522 -5.303 1.568) 9.336 19.869 ( -2.700 5.150 -3.633) 6.857 22.102 ( 15.110 -5.811 5.631) 17.140 22.397 ( 4.377 -3.126 -6.957) 8.794 22.667 ( -0.835 -1.653 6.467) 6.726 22.945 ( -7.871 1.795 -5.434) 9.732 ======================= Grid point 98 (34/75) ======================= q-point: (-0.56 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.512 ( -1.244 0.573 4.284) 4.497 1.562 ( 0.086 3.538 4.574) 5.783 1.856 ( -2.406 -2.321 -5.542) 6.473 1.922 ( 1.118 -0.880 -4.403) 4.627 2.046 ( -2.802 2.880 3.517) 5.340 2.117 ( -0.467 3.200 2.359) 4.002 2.238 ( -7.431 1.396 0.685) 7.592 2.337 ( 2.205 0.260 0.862) 2.382 2.492 ( -3.283 -1.826 -3.784) 5.333 2.554 ( 3.015 -1.246 -2.607) 4.176 2.564 ( -1.666 -1.168 -4.962) 5.363 2.596 ( 0.857 -2.709 -4.295) 5.150 2.641 ( -0.342 -0.457 0.725) 0.923 2.674 ( 0.817 1.591 -0.028) 1.789 2.753 ( 2.308 3.629 0.338) 4.314 2.795 ( 1.493 4.599 -2.479) 5.434 2.872 ( 1.464 2.572 -2.407) 3.815 2.879 ( 2.254 1.175 -3.257) 4.131 3.083 ( -1.482 0.183 2.079) 2.560 3.096 ( 1.283 -1.726 -0.250) 2.165 3.200 ( 1.929 -4.870 4.527) 6.923 3.270 ( 0.149 0.057 1.406) 1.415 3.381 ( -0.971 -3.634 3.458) 5.109 3.405 ( -0.317 0.981 1.165) 1.556 3.625 ( 1.453 -1.498 4.707) 5.149 3.648 ( -0.951 -0.234 -2.519) 2.703 3.768 ( 0.749 -2.117 3.010) 3.755 3.876 ( 2.145 0.045 -1.466) 2.599 3.957 ( -2.311 4.480 6.945) 8.581 4.052 ( 2.156 4.217 5.194) 7.029 4.310 ( -2.030 -4.346 -8.769) 9.995 4.346 ( -5.621 0.818 -7.782) 9.635 4.594 ( -1.876 -4.069 5.703) 7.253 4.719 ( 1.722 2.581 4.376) 5.365 4.891 ( 0.169 -1.365 -9.044) 9.148 4.929 ( -3.856 3.198 -5.788) 7.655 5.430 ( -10.671 -1.326 8.032) 13.422 5.534 ( 1.432 -1.013 4.548) 4.875 6.028 ( -9.871 -0.799 -5.762) 11.458 6.105 ( -3.375 -0.429 -8.830) 9.463 6.397 ( -7.294 -0.219 -2.175) 7.615 6.400 ( -6.014 1.656 2.994) 6.919 6.617 ( -3.335 -1.680 11.124) 11.734 6.716 ( -2.071 -1.058 2.619) 3.503 6.833 ( -1.726 -0.096 2.362) 2.927 6.904 ( 1.458 0.868 -0.611) 1.803 7.184 ( -9.867 0.293 -0.822) 9.905 7.362 ( -1.735 4.304 -6.948) 8.356 7.656 ( -12.432 -0.144 -1.947) 12.585 7.732 ( -0.693 0.443 -4.178) 4.258 7.934 ( 20.423 0.328 3.355) 20.700 8.001 ( 17.340 -0.596 0.678) 17.364 8.384 ( -1.776 0.809 3.483) 3.992 8.410 ( 2.011 -0.383 1.605) 2.601 8.482 ( -4.528 -0.318 6.806) 8.181 8.639 ( 8.950 0.188 5.027) 10.267 8.997 ( -2.270 0.460 -0.121) 2.319 9.027 ( 2.255 0.123 -1.860) 2.926 9.368 ( -6.392 3.326 -11.596) 13.652 9.393 ( 5.327 -2.415 -9.938) 11.531 9.863 ( -4.010 -5.445 15.724) 17.117 10.040 ( -4.215 5.703 17.385) 18.775 10.538 ( -10.108 0.291 -11.307) 15.169 10.641 ( 1.463 -3.278 -12.650) 13.149 10.910 ( -6.522 0.202 4.584) 7.974 11.066 ( 5.373 1.660 3.891) 6.839 11.091 ( -1.200 -2.871 -4.150) 5.187 11.189 ( -4.922 5.939 -0.948) 7.771 11.434 ( -0.848 -7.435 3.883) 8.431 11.611 ( -2.790 5.564 8.356) 10.419 11.639 ( -4.909 -7.676 -3.511) 9.764 11.812 ( -1.837 -0.164 -3.942) 4.353 11.847 ( -11.046 1.702 0.975) 11.219 11.927 ( -0.992 1.958 -1.861) 2.878 12.159 ( 0.562 -1.415 -0.929) 1.784 12.206 ( 3.257 -0.011 1.580) 3.620 12.266 ( -6.221 -3.038 -8.121) 10.672 12.463 ( 6.093 2.012 -10.581) 12.374 12.807 ( -1.821 -0.355 0.618) 1.956 12.916 ( 8.733 -0.439 -5.083) 10.114 13.386 ( 3.637 -2.137 12.713) 13.395 13.494 ( 11.546 0.172 6.680) 13.340 15.890 ( -4.278 0.519 2.063) 4.777 15.948 ( 3.962 -0.956 -0.314) 4.088 16.329 ( 2.492 0.704 -0.639) 2.667 16.344 ( 3.019 1.335 -1.139) 3.492 16.730 ( -3.296 0.105 1.246) 3.526 16.795 ( 2.859 0.269 -1.394) 3.192 17.225 ( -12.274 -2.428 0.077) 12.512 17.262 ( -5.267 -2.880 -1.460) 6.178 17.364 ( 2.721 0.925 0.834) 2.993 17.400 ( 3.904 0.315 -0.738) 3.986 17.756 ( 2.738 0.838 0.114) 2.866 17.770 ( 1.736 1.765 -0.476) 2.521 19.282 ( -16.399 -1.075 3.009) 16.707 19.462 ( -4.157 -0.220 -5.380) 6.803 19.679 ( -0.108 -4.497 5.118) 6.814 19.841 ( 2.100 1.377 -2.587) 3.605 22.287 ( -9.089 3.461 5.167) 11.013 22.400 ( 10.924 -2.786 1.541) 11.378 22.820 ( -0.887 5.272 -2.832) 6.050 22.869 ( 13.922 -1.882 -3.694) 14.526 ======================= Grid point 99 (35/75) ======================= q-point: (-0.44 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.453 ( -3.785 2.618 3.863) 6.009 1.534 ( -1.601 1.380 5.716) 6.094 1.779 ( -6.169 4.740 -1.793) 7.984 1.857 ( -9.783 2.912 0.135) 10.208 1.924 ( -4.227 2.233 -5.336) 7.164 1.955 ( -6.315 5.386 5.168) 9.777 2.116 ( -4.621 2.311 -5.221) 7.345 2.306 ( -5.000 1.659 -7.625) 9.268 2.477 ( 0.406 -2.389 1.046) 2.639 2.502 ( -5.299 -0.265 1.184) 5.436 2.599 ( 0.947 -2.760 1.864) 3.462 2.668 ( 2.525 -1.039 -2.329) 3.588 2.681 ( 3.174 -2.275 1.088) 4.054 2.711 ( 1.992 -0.427 0.015) 2.037 2.766 ( 0.250 -0.457 0.079) 0.527 2.831 ( 4.674 3.078 -2.553) 6.151 2.919 ( 3.291 -0.593 -3.689) 4.979 2.945 ( 6.519 3.663 -0.591) 7.501 3.043 ( -2.369 2.769 0.354) 3.661 3.131 ( 1.130 0.265 -3.168) 3.374 3.201 ( -3.448 0.024 5.106) 6.162 3.334 ( 2.002 -4.138 2.424) 5.197 3.368 ( -0.097 -2.139 0.554) 2.212 3.442 ( 3.350 -1.242 -3.047) 4.696 3.558 ( -2.894 5.648 0.656) 6.380 3.670 ( -0.527 -0.849 -1.032) 1.436 3.735 ( -1.554 3.006 2.384) 4.139 3.833 ( -5.942 1.532 9.330) 11.167 3.878 ( -1.596 3.591 -0.098) 3.931 4.015 ( -2.662 4.080 3.044) 5.744 4.260 ( -2.544 -1.419 -5.809) 6.498 4.304 ( -3.817 -4.786 -7.329) 9.549 4.592 ( -2.535 -2.349 6.449) 7.317 4.686 ( -4.251 -2.105 2.498) 5.361 4.804 ( -4.952 -0.065 -1.545) 5.188 4.964 ( -0.180 -6.762 -8.032) 10.500 5.106 ( -23.968 -3.253 7.627) 25.362 5.482 ( -9.644 0.872 -7.835) 12.456 5.778 ( -14.610 -0.676 2.822) 14.896 5.897 ( -13.262 -3.556 -1.155) 13.779 6.257 ( -3.462 3.038 6.682) 8.115 6.289 ( -4.494 -1.751 -0.275) 4.831 6.560 ( -4.693 1.608 5.613) 7.491 6.680 ( -5.509 -2.487 -0.033) 6.044 6.776 ( -4.280 -0.901 -0.305) 4.385 6.815 ( -8.136 -0.392 -7.595) 11.137 7.059 ( -0.025 3.699 4.196) 5.594 7.255 ( -2.082 4.128 -5.720) 7.354 7.515 ( -2.383 1.577 3.997) 4.913 7.790 ( 3.813 -0.243 -8.526) 9.343 8.116 ( -15.585 -0.295 7.016) 17.094 8.204 ( 5.238 1.806 4.443) 7.102 8.309 ( 8.206 5.108 -0.881) 9.705 8.477 ( 0.679 -0.230 -5.825) 5.869 8.549 ( 10.073 -2.166 10.037) 14.384 8.839 ( 4.418 -1.014 1.583) 4.802 8.909 ( -5.284 1.990 1.030) 5.739 9.117 ( 7.101 1.411 -10.347) 12.629 9.298 ( 9.936 0.995 1.224) 10.060 9.500 ( 3.899 -1.025 -7.322) 8.359 9.720 ( -10.528 1.093 11.529) 15.651 9.941 ( -7.352 -5.500 14.328) 17.017 10.298 ( -13.618 -0.115 -8.824) 16.227 10.631 ( -9.700 -3.799 -5.533) 11.796 10.750 ( -5.677 -1.047 -4.392) 7.253 10.939 ( -10.894 3.893 -7.111) 13.580 11.073 ( -3.793 1.576 -1.628) 4.418 11.110 ( -0.148 2.878 2.767) 3.995 11.399 ( -11.186 2.293 7.424) 13.620 11.448 ( -5.754 -1.799 4.987) 7.824 11.605 ( -3.148 -4.253 2.948) 6.057 11.685 ( -4.230 -4.651 1.765) 6.530 11.782 ( -2.743 -4.411 -5.187) 7.340 11.884 ( -0.817 1.781 -2.357) 3.065 12.194 ( -0.334 -1.125 -1.450) 1.866 12.221 ( -0.576 -3.981 -3.107) 5.082 12.296 ( 3.095 -3.801 1.148) 5.034 12.553 ( 3.394 -0.432 -8.735) 9.382 12.820 ( 1.344 -1.294 5.406) 5.719 13.117 ( 9.740 -3.260 -8.635) 13.418 13.641 ( 21.147 -0.618 11.726) 24.189 13.851 ( 25.164 1.906 1.086) 25.259 15.813 ( -3.437 0.019 5.352) 6.360 16.038 ( 3.990 -1.703 -4.063) 5.944 16.400 ( 5.385 0.804 -0.360) 5.456 16.425 ( 6.343 1.707 -1.080) 6.657 16.650 ( -4.296 0.715 3.475) 5.572 16.811 ( -1.545 0.566 -3.124) 3.531 17.017 ( -11.377 -5.856 3.322) 13.220 17.167 ( -7.220 -4.352 -2.923) 8.922 17.380 ( 0.111 2.847 0.688) 2.931 17.438 ( -0.079 0.681 -1.878) 1.999 17.796 ( 2.452 1.861 0.173) 3.083 17.808 ( 3.408 1.560 -0.310) 3.761 18.919 ( -25.367 -7.579 5.689) 27.079 19.269 ( -19.551 -10.625 -10.370) 24.549 19.773 ( 4.838 -2.146 6.184) 8.140 19.907 ( 4.743 -0.855 -0.802) 4.886 22.083 ( -6.435 8.182 7.342) 12.738 22.504 ( 1.989 6.389 -11.568) 13.364 22.895 ( 12.697 4.385 8.013) 15.641 23.162 ( 15.749 0.516 -4.380) 16.355 ======================= Grid point 100 (36/75) ======================= q-point: (-0.33 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.285 ( -10.585 8.440 7.155) 15.313 1.373 ( -11.452 11.884 4.721) 17.166 1.597 ( -4.715 0.250 5.966) 7.608 1.686 ( -6.627 4.201 -5.120) 9.369 1.743 ( -5.787 4.474 -6.898) 10.054 1.882 ( -3.470 -1.195 2.933) 4.698 2.005 ( -5.230 4.002 -10.217) 12.155 2.204 ( -3.269 0.308 -8.267) 8.895 2.376 ( -9.196 6.870 6.360) 13.123 2.420 ( -8.326 4.204 6.148) 11.171 2.574 ( -4.304 5.787 5.548) 9.099 2.667 ( -0.554 -0.628 -2.405) 2.547 2.707 ( -1.802 -1.123 0.022) 2.124 2.772 ( 2.176 -0.397 3.394) 4.051 2.780 ( -0.018 -4.132 -1.466) 4.384 2.896 ( -0.527 0.497 -0.253) 0.768 2.905 ( 0.947 2.418 -4.006) 4.774 2.965 ( -0.461 0.081 -4.865) 4.887 3.078 ( 7.430 1.743 2.954) 8.183 3.156 ( 4.239 1.152 -2.081) 4.861 3.224 ( 3.113 -4.229 -2.917) 6.007 3.285 ( -3.784 -0.700 -3.654) 5.306 3.430 ( -2.521 2.794 0.761) 3.839 3.501 ( 5.522 -3.668 1.001) 6.704 3.515 ( 2.712 7.155 2.774) 8.139 3.659 ( 0.110 1.557 -2.022) 2.554 3.682 ( -4.914 -0.778 4.167) 6.489 3.742 ( -3.295 -3.665 4.185) 6.466 3.808 ( 0.158 4.022 0.005) 4.025 3.898 ( -7.047 0.198 2.511) 7.483 4.153 ( -9.790 -1.207 -2.029) 10.070 4.306 ( -2.333 -3.697 -6.003) 7.426 4.474 ( -14.025 -3.031 1.116) 14.392 4.553 ( -11.936 -6.652 -2.631) 13.915 4.648 ( -14.171 -4.824 3.329) 15.335 4.805 ( -7.925 -6.414 4.157) 11.010 4.922 ( -4.956 -7.056 0.790) 8.659 5.336 ( -1.015 -1.214 -12.679) 12.777 5.520 ( -11.851 1.560 5.425) 13.127 5.773 ( -5.343 -2.540 0.398) 5.929 6.157 ( -3.782 3.430 6.130) 7.978 6.265 ( 0.294 -0.071 4.011) 4.022 6.419 ( -7.086 2.754 2.071) 7.879 6.483 ( -13.366 -1.277 0.674) 13.443 6.691 ( -4.058 0.854 -4.353) 6.012 6.758 ( 0.671 1.218 -6.785) 6.926 7.051 ( 1.265 3.098 3.314) 4.710 7.226 ( 1.368 3.144 -4.201) 5.423 7.484 ( -1.337 1.790 4.759) 5.257 7.794 ( -14.197 -1.392 9.529) 17.155 7.824 ( -3.338 -1.436 -8.600) 9.336 8.212 ( -2.076 3.187 2.168) 4.378 8.313 ( -2.434 2.520 -3.842) 5.199 8.359 ( -6.540 2.160 -11.527) 13.428 8.740 ( -3.096 0.948 1.879) 3.744 8.758 ( -6.117 2.788 0.435) 6.736 8.955 ( 13.767 -1.731 12.292) 18.537 9.102 ( -2.903 1.645 0.535) 3.380 9.472 ( -8.221 2.669 9.088) 12.542 9.565 ( 1.028 2.110 -0.343) 2.372 9.769 ( 4.729 -4.450 -5.114) 8.265 9.880 ( 12.474 -10.424 -0.947) 16.284 10.080 ( -7.702 -1.328 5.090) 9.327 10.391 ( -11.635 -0.650 0.035) 11.653 10.683 ( -10.056 3.279 -5.775) 12.051 10.700 ( -5.335 -5.491 -13.319) 15.362 10.993 ( -1.746 3.539 1.177) 4.118 11.074 ( -2.035 0.955 -1.246) 2.570 11.181 ( -7.205 0.071 8.586) 11.209 11.314 ( -8.071 -0.483 3.422) 8.780 11.604 ( -0.486 -2.847 3.576) 4.596 11.705 ( -1.254 -4.035 0.721) 4.287 11.781 ( -0.182 -6.156 0.468) 6.177 11.887 ( 1.530 -0.141 -1.741) 2.322 12.163 ( -3.485 -0.396 0.217) 3.514 12.260 ( 0.177 -4.348 -0.478) 4.378 12.381 ( 1.914 -4.438 -3.079) 5.731 12.581 ( -2.767 -3.441 -7.697) 8.874 12.877 ( 3.806 -3.063 12.243) 13.181 13.354 ( 10.652 -7.669 -9.084) 15.963 14.154 ( 30.775 1.987 7.631) 31.769 14.377 ( 31.352 5.413 -2.742) 31.934 15.759 ( -1.954 -0.036 8.276) 8.503 16.117 ( 2.266 -2.033 -7.841) 8.411 16.490 ( -0.734 0.204 3.435) 3.518 16.511 ( 1.733 -3.217 1.212) 3.850 16.612 ( 4.900 1.032 0.395) 5.023 16.727 ( -5.948 -3.962 -1.335) 7.270 16.927 ( -2.651 -3.170 2.287) 4.723 17.066 ( -7.291 -5.359 -3.008) 9.536 17.315 ( -3.669 4.254 0.401) 5.632 17.378 ( -4.430 2.944 -2.613) 5.926 17.828 ( 2.282 1.855 0.637) 3.009 17.854 ( 2.606 1.711 -0.491) 3.156 18.414 ( -36.241 -13.388 7.876) 39.429 18.879 ( -35.238 -20.685 -13.128) 42.918 19.864 ( 2.774 -1.735 7.472) 8.157 20.023 ( 5.366 -1.773 -0.793) 5.707 21.910 ( -2.233 13.761 6.909) 15.559 22.458 ( 4.078 16.481 -20.303) 26.466 23.166 ( 18.118 3.652 13.154) 22.686 23.470 ( 16.906 1.170 -3.128) 17.233 ======================= Grid point 101 (37/75) ======================= q-point: (-0.22 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.915 ( -13.722 15.872 9.655) 23.096 1.011 ( -14.185 16.135 12.075) 24.645 1.469 ( -9.960 1.346 -0.622) 10.070 1.563 ( -6.227 4.460 -7.110) 10.451 1.612 ( -4.701 5.681 -13.907) 15.741 1.777 ( -9.392 6.718 2.593) 11.835 1.889 ( -3.756 0.426 -0.417) 3.803 1.921 ( -6.379 11.540 12.424) 18.117 2.206 ( 0.781 -1.712 -3.812) 4.251 2.308 ( -2.868 3.318 10.394) 11.281 2.436 ( -5.936 5.682 10.270) 13.153 2.589 ( -4.161 6.411 -9.651) 12.311 2.710 ( -0.205 -1.531 -4.914) 5.151 2.719 ( -1.132 1.687 -2.200) 2.995 2.819 ( -3.202 -2.531 -1.302) 4.285 2.858 ( 1.373 0.795 2.942) 3.342 2.910 ( -1.542 -3.623 -4.970) 6.341 3.052 ( 4.460 -2.752 1.059) 5.347 3.183 ( 3.359 -0.513 0.386) 3.420 3.217 ( -2.949 -0.707 -5.136) 5.964 3.234 ( 2.156 -0.257 3.235) 3.896 3.348 ( 6.891 -1.225 -0.043) 6.999 3.411 ( 1.884 1.681 3.446) 4.272 3.500 ( 0.211 3.644 1.482) 3.939 3.566 ( -0.634 3.297 -1.051) 3.518 3.594 ( -0.426 -0.377 -1.772) 1.861 3.620 ( -6.983 -0.954 -1.773) 7.267 3.671 ( -0.530 1.309 -3.243) 3.537 3.797 ( -5.045 -2.624 2.873) 6.372 3.865 ( -0.949 -7.226 0.020) 7.288 3.962 ( -5.951 -1.563 6.313) 8.816 4.159 ( -10.440 -7.875 -3.689) 13.588 4.309 ( -6.384 -8.019 2.356) 10.517 4.454 ( -5.185 -3.346 -4.504) 7.640 4.570 ( -6.547 -7.146 -1.685) 9.837 4.675 ( -3.739 -9.007 -4.974) 10.947 4.999 ( 4.291 1.054 5.860) 7.339 5.215 ( -9.761 2.005 7.832) 12.674 5.445 ( 2.805 1.061 -11.527) 11.911 5.665 ( -6.719 -0.170 -8.790) 11.065 6.077 ( -1.512 2.750 7.938) 8.536 6.243 ( -4.054 2.285 1.277) 4.826 6.258 ( -7.866 0.686 0.612) 7.919 6.319 ( 0.268 2.588 9.310) 9.667 6.608 ( -2.521 3.591 -4.957) 6.620 6.779 ( 2.179 1.326 -6.195) 6.699 7.048 ( 0.723 2.333 2.364) 3.399 7.235 ( 1.481 2.153 -2.227) 3.434 7.358 ( -8.931 0.181 1.424) 9.046 7.649 ( -3.247 -0.149 8.058) 8.689 7.695 ( -8.861 -0.492 -6.215) 10.834 8.077 ( -10.960 0.060 3.655) 11.553 8.205 ( -6.138 -1.814 -14.581) 15.924 8.301 ( 2.949 3.683 -2.548) 5.362 8.602 ( -7.675 2.348 1.516) 8.168 8.630 ( -4.527 2.666 0.067) 5.254 8.987 ( -5.083 1.678 4.418) 6.940 9.211 ( 6.802 -3.129 5.666) 9.389 9.333 ( -4.539 0.779 1.005) 4.714 9.513 ( -3.543 2.770 1.371) 4.701 9.742 ( -2.083 -8.325 6.338) 10.668 9.917 ( -6.035 0.440 9.292) 11.089 10.171 ( -3.242 -2.117 -5.798) 6.972 10.387 ( 0.997 -1.283 -10.357) 10.483 10.615 ( 9.107 -2.356 4.377) 10.375 10.776 ( 12.036 -6.079 -0.776) 13.506 10.910 ( -4.494 -0.220 4.720) 6.522 11.026 ( -2.098 -0.954 -1.143) 2.573 11.144 ( 0.332 -0.966 3.214) 3.373 11.216 ( -1.131 -2.212 0.821) 2.617 11.614 ( -0.766 -1.398 3.006) 3.402 11.678 ( -2.051 -0.485 -0.236) 2.121 11.866 ( 2.058 -5.411 2.294) 6.227 11.926 ( 0.663 -2.160 1.059) 2.495 12.063 ( -5.777 0.154 0.929) 5.853 12.299 ( 0.462 -3.469 -0.939) 3.623 12.410 ( -3.041 -1.410 -7.823) 8.511 12.529 ( -3.781 -5.241 -3.932) 7.564 13.070 ( 11.468 -11.466 22.929) 28.084 13.652 ( 10.638 -12.046 -7.082) 17.562 14.703 ( 26.143 4.977 5.408) 27.157 14.939 ( 32.241 9.619 -6.097) 34.194 15.758 ( 3.094 0.330 11.523) 11.935 16.154 ( 0.141 -1.602 -8.060) 8.219 16.386 ( -10.978 -10.472 7.410) 16.884 16.540 ( -0.990 -4.684 2.915) 5.605 16.733 ( 2.498 -3.466 -2.066) 4.745 16.753 ( 5.420 -1.879 -2.207) 6.146 16.935 ( 1.616 -0.697 1.241) 2.154 16.984 ( -5.061 -4.432 -1.471) 6.886 17.177 ( -7.494 2.252 0.128) 7.826 17.236 ( -6.408 4.533 -2.655) 8.286 17.774 ( -39.502 -13.855 7.329) 42.498 17.848 ( 1.221 1.710 0.805) 2.250 17.877 ( 0.992 1.524 -0.644) 1.929 18.225 ( -51.292 -23.063 -13.820) 57.912 19.914 ( 0.846 -2.577 9.516) 9.895 20.120 ( 2.938 -1.679 -1.363) 3.648 21.756 ( -0.353 17.751 4.814) 18.395 22.378 ( 5.370 27.450 -31.657) 42.244 23.533 ( 21.320 0.438 15.013) 26.079 23.774 ( 14.034 0.070 -0.332) 14.038 ======================= Grid point 102 (38/75) ======================= q-point: (-0.11 0.11 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.622 ( -0.000 14.778 18.093) 23.361 0.648 ( -0.000 16.783 19.127) 25.446 1.153 ( -0.000 26.997 24.650) 36.558 1.467 ( -0.000 6.677 -21.079) 22.112 1.483 ( 0.000 -3.137 -19.195) 19.450 1.687 ( -0.000 1.180 7.899) 7.987 1.799 ( 0.000 -1.505 -4.033) 4.305 1.985 ( 0.000 -7.706 9.495) 12.229 2.235 ( 0.000 -0.460 -4.086) 4.112 2.250 ( -0.000 3.126 16.869) 17.156 2.327 ( -0.000 4.991 9.864) 11.054 2.480 ( -0.000 7.813 -16.750) 18.483 2.704 ( -0.000 4.856 -8.416) 9.716 2.718 ( -0.000 0.518 -5.896) 5.919 2.780 ( 0.000 -3.819 1.457) 4.087 2.894 ( 0.000 -6.867 9.960) 12.098 2.922 ( 0.000 -3.718 -5.028) 6.253 3.112 ( 0.000 -3.027 4.511) 5.433 3.194 ( 0.000 -0.194 -4.758) 4.762 3.220 ( 0.000 -0.439 -0.809) 0.921 3.262 ( 0.000 -0.911 4.126) 4.226 3.418 ( 0.000 -0.469 0.484) 0.674 3.423 ( 0.000 -0.391 4.638) 4.654 3.482 ( -0.000 0.230 -3.151) 3.159 3.498 ( -0.000 6.684 0.731) 6.724 3.577 ( -0.000 4.197 -1.871) 4.595 3.629 ( -0.000 0.299 3.274) 3.288 3.700 ( 0.000 -2.735 -1.098) 2.947 3.756 ( 0.000 -4.850 -4.630) 6.705 3.760 ( -0.000 0.608 -3.093) 3.152 4.019 ( 0.000 -9.764 7.452) 12.283 4.123 ( 0.000 -8.389 -3.782) 9.202 4.315 ( 0.000 -7.969 1.388) 8.089 4.425 ( 0.000 -1.753 -3.350) 3.780 4.513 ( 0.000 -4.325 0.456) 4.349 4.728 ( 0.000 -0.188 -10.176) 10.178 4.977 ( -0.000 2.286 10.810) 11.049 5.106 ( -0.000 10.427 3.112) 10.882 5.454 ( 0.000 -0.406 -9.474) 9.482 5.580 ( -0.000 2.856 -14.921) 15.192 6.049 ( -0.000 1.299 9.728) 9.814 6.161 ( -0.000 0.042 0.507) 0.508 6.181 ( -0.000 2.243 -0.259) 2.257 6.309 ( -0.000 3.992 12.885) 13.489 6.549 ( -0.000 3.706 -4.605) 5.911 6.798 ( -0.000 0.538 -6.123) 6.147 7.039 ( -0.000 1.401 1.750) 2.241 7.223 ( 0.000 -0.947 7.011) 7.075 7.277 ( -0.000 1.317 -10.257) 10.341 7.570 ( 0.000 -0.262 -7.134) 7.139 7.621 ( -0.000 0.708 8.878) 8.906 7.906 ( -0.000 0.965 15.214) 15.245 8.153 ( 0.000 -2.008 -12.903) 13.058 8.353 ( -0.000 2.911 -9.316) 9.761 8.457 ( -0.000 2.306 5.997) 6.425 8.567 ( -0.000 1.841 -0.367) 1.877 8.921 ( -0.000 1.340 3.919) 4.142 9.257 ( -0.000 1.529 -11.426) 11.528 9.306 ( 0.000 -4.164 7.174) 8.295 9.451 ( -0.000 3.418 1.388) 3.689 9.816 ( 0.000 -12.687 11.843) 17.355 9.842 ( -0.000 1.367 12.704) 12.777 10.137 ( -0.000 0.121 -7.319) 7.320 10.363 ( 0.000 -0.489 -13.241) 13.250 10.812 ( 0.000 -0.969 8.123) 8.180 10.873 ( 0.000 -12.383 11.571) 16.948 10.999 ( 0.000 -0.903 5.028) 5.108 11.003 ( 0.000 -0.853 -2.061) 2.230 11.158 ( 0.000 -0.990 2.653) 2.831 11.325 ( 0.000 -9.465 -5.944) 11.177 11.597 ( -0.000 0.086 4.992) 4.993 11.658 ( 0.000 -0.031 0.143) 0.146 11.893 ( 0.000 -0.287 6.275) 6.281 11.930 ( 0.000 -2.030 0.745) 2.162 12.028 ( 0.000 -0.068 -3.265) 3.266 12.332 ( 0.000 -0.949 -9.768) 9.814 12.343 ( 0.000 -1.105 1.235) 1.657 12.540 ( 0.000 -3.552 -4.804) 5.975 13.482 ( 0.000 -36.156 28.453) 46.009 13.880 ( 0.000 -11.794 -3.608) 12.334 14.956 ( -0.000 5.538 7.055) 8.969 15.245 ( -0.000 11.418 -9.695) 14.979 15.904 ( -0.000 1.245 4.846) 5.003 16.165 ( -0.000 1.093 -6.718) 6.806 16.374 ( 0.000 -35.610 29.812) 46.441 16.551 ( 0.000 -0.135 5.516) 5.518 16.783 ( 0.000 -0.060 -6.011) 6.011 16.816 ( 0.000 -8.646 -2.717) 9.062 16.922 ( 0.000 -2.801 0.594) 2.863 17.004 ( 0.000 -0.154 4.683) 4.685 17.066 ( -0.000 0.831 -5.635) 5.696 17.133 ( 0.000 -0.109 -1.807) 1.811 17.355 ( 0.000 -7.695 5.309) 9.348 17.582 ( 0.000 -0.159 -6.318) 6.320 17.848 ( -0.000 1.511 0.732) 1.679 17.882 ( -0.000 1.391 -0.490) 1.475 19.955 ( 0.000 -6.960 11.427) 13.380 20.161 ( 0.000 -1.408 -1.217) 1.861 21.604 ( -0.000 16.893 2.007) 17.011 22.145 ( -0.000 45.278 -40.214) 60.557 23.832 ( 0.000 -6.686 6.102) 9.051 23.952 ( 0.000 -1.426 1.528) 2.090 ======================= Grid point 105 (39/75) ======================= q-point: ( 0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.515 ( 2.403 0.000 5.774) 6.254 1.653 ( 0.242 0.000 4.661) 4.667 1.762 ( 4.392 0.000 -4.200) 6.077 1.847 ( 6.693 0.000 -2.844) 7.272 1.945 ( 11.526 0.000 3.215) 11.966 2.046 ( 3.450 0.000 -1.199) 3.653 2.329 ( 8.042 0.000 -4.144) 9.047 2.345 ( 3.276 0.000 -5.095) 6.057 2.443 ( -3.833 -0.000 -1.066) 3.978 2.526 ( -1.861 -0.000 -2.189) 2.873 2.598 ( -6.196 -0.000 -0.972) 6.272 2.600 ( -3.270 -0.000 -1.467) 3.584 2.697 ( -4.450 -0.000 -2.532) 5.120 2.728 ( -0.929 -0.000 -5.482) 5.561 2.810 ( 6.378 0.000 7.707) 10.004 2.859 ( -2.814 -0.000 0.737) 2.909 2.895 ( -1.099 -0.000 1.083) 1.543 2.964 ( 0.263 0.000 -4.459) 4.467 3.010 ( -2.348 -0.000 -2.614) 3.514 3.078 ( 1.342 0.000 -3.004) 3.290 3.169 ( -0.104 -0.000 3.486) 3.487 3.245 ( -2.757 -0.000 3.675) 4.594 3.344 ( -3.764 -0.000 1.741) 4.147 3.347 ( 6.112 0.000 0.143) 6.114 3.490 ( 6.910 0.000 5.975) 9.135 3.619 ( -3.236 -0.000 5.657) 6.518 3.728 ( 11.577 0.000 -5.427) 12.786 3.774 ( -3.088 -0.000 -0.611) 3.148 4.009 ( 0.364 0.000 6.526) 6.536 4.030 ( 4.838 0.000 7.031) 8.535 4.368 ( -5.192 -0.000 -5.442) 7.521 4.422 ( 2.132 0.000 -8.040) 8.318 4.564 ( -1.147 -0.000 4.586) 4.727 4.742 ( -2.797 -0.000 1.719) 3.283 4.858 ( 4.270 0.000 -1.865) 4.659 5.088 ( -3.867 -0.000 -7.263) 8.229 5.456 ( 6.061 0.000 1.889) 6.349 5.509 ( -0.518 -0.000 0.726) 0.892 6.052 ( 8.240 0.000 -0.477) 8.254 6.129 ( -0.779 -0.000 -5.180) 5.238 6.329 ( 10.082 0.000 7.388) 12.499 6.451 ( 0.768 0.000 -0.876) 1.165 6.741 ( 7.928 0.000 6.806) 10.448 6.747 ( -5.964 -0.000 -0.294) 5.971 6.812 ( 1.189 0.000 4.416) 4.573 6.880 ( -1.036 -0.000 2.613) 2.811 7.212 ( 5.143 0.000 -7.450) 9.053 7.220 ( 19.399 0.000 -4.904) 20.010 7.664 ( 12.600 0.000 3.202) 13.000 7.735 ( -3.540 -0.000 -5.706) 6.715 7.837 ( -12.412 -0.000 -2.748) 12.712 8.033 ( -13.007 -0.000 -6.836) 14.694 8.355 ( 0.498 0.000 5.621) 5.643 8.467 ( 7.862 0.000 8.651) 11.689 8.475 ( -8.128 -0.000 1.240) 8.222 8.642 ( -9.447 -0.000 3.773) 10.173 8.949 ( 4.767 0.000 0.032) 4.767 9.000 ( 1.008 0.000 -1.168) 1.543 9.261 ( 4.284 0.000 -4.980) 6.569 9.532 ( -4.181 -0.000 -14.878) 15.454 9.776 ( 3.202 0.000 20.180) 20.433 10.228 ( -1.122 -0.000 16.834) 16.872 10.569 ( 2.551 0.000 -15.571) 15.779 10.671 ( -3.147 -0.000 -6.046) 6.816 10.889 ( 8.368 0.000 2.654) 8.779 10.953 ( 4.978 0.000 5.913) 7.729 10.996 ( 6.325 0.000 -1.990) 6.631 11.185 ( 4.200 0.000 -6.130) 7.431 11.514 ( -2.929 -0.000 -0.732) 3.019 11.517 ( 1.913 0.000 1.532) 2.451 11.700 ( -2.495 -0.000 8.355) 8.719 11.739 ( 6.924 0.000 4.147) 8.071 11.971 ( 4.376 0.000 -3.844) 5.824 11.975 ( 0.241 0.000 -1.340) 1.361 12.178 ( -2.972 -0.000 1.518) 3.338 12.298 ( -7.295 -0.000 -3.541) 8.109 12.398 ( -10.943 -0.000 -10.878) 15.430 12.404 ( 3.412 0.000 -10.311) 10.861 12.821 ( 0.607 0.000 -0.002) 0.607 12.922 ( -10.592 -0.000 -4.885) 11.664 13.427 ( -4.485 -0.000 10.476) 11.396 13.428 ( -10.825 -0.000 10.628) 15.170 15.871 ( 3.102 0.000 3.157) 4.426 15.995 ( -5.314 -0.000 -1.727) 5.588 16.321 ( -1.149 -0.000 -0.811) 1.406 16.347 ( -1.418 -0.000 -1.883) 2.358 16.718 ( 4.555 0.000 1.357) 4.753 16.770 ( -1.580 -0.000 -0.613) 1.695 17.262 ( 1.824 0.000 0.117) 1.828 17.315 ( 2.879 0.000 -1.601) 3.294 17.318 ( 2.290 0.000 2.690) 3.533 17.433 ( -7.259 -0.000 -2.415) 7.650 17.722 ( 0.953 0.000 0.614) 1.134 17.770 ( 1.031 0.000 -1.516) 1.833 19.469 ( 7.102 0.000 5.025) 8.700 19.628 ( -4.446 -0.000 -2.307) 5.009 19.632 ( -13.497 -0.000 4.634) 14.271 19.918 ( -5.890 -0.000 -6.468) 8.748 22.047 ( 17.135 0.000 5.872) 18.113 22.365 ( 9.224 0.000 -8.325) 12.426 22.656 ( -2.271 -0.000 7.998) 8.315 22.961 ( -6.813 -0.000 -5.667) 8.862 ======================= Grid point 106 (40/75) ======================= q-point: ( 0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.523 ( -0.822 0.472 5.096) 5.184 1.635 ( -0.197 4.164 4.910) 6.441 1.791 ( -1.804 -4.095 -5.142) 6.816 1.919 ( 0.973 0.208 -5.355) 5.446 2.096 ( 2.868 2.527 3.040) 4.883 2.136 ( 3.714 -0.595 3.076) 4.859 2.261 ( -7.680 0.979 1.542) 7.894 2.352 ( -1.283 0.915 0.718) 1.732 2.452 ( -3.292 -1.678 -1.402) 3.952 2.537 ( 0.927 -0.229 -2.925) 3.077 2.549 ( 0.938 -1.633 -2.334) 2.999 2.568 ( 1.274 0.010 -6.223) 6.352 2.642 ( -0.459 -0.074 -2.409) 2.453 2.704 ( -0.472 1.264 -3.181) 3.455 2.810 ( -1.492 1.792 1.941) 3.034 2.869 ( 1.086 4.140 -1.274) 4.465 2.892 ( 2.076 3.050 -0.816) 3.779 2.955 ( 2.771 3.435 -4.075) 6.007 3.018 ( 1.588 -6.174 0.843) 6.430 3.084 ( 0.212 -0.166 2.625) 2.639 3.174 ( 0.250 1.153 2.812) 3.049 3.226 ( -0.235 -4.343 0.900) 4.442 3.318 ( -0.935 -2.217 2.557) 3.511 3.420 ( 0.538 1.250 -1.609) 2.107 3.597 ( 0.359 -3.630 2.171) 4.245 3.617 ( 2.544 -1.385 6.929) 7.510 3.751 ( 2.597 1.084 0.286) 2.829 3.914 ( 5.041 3.870 -2.646) 6.884 4.002 ( 0.404 -0.513 4.644) 4.690 4.080 ( 0.758 -0.517 4.645) 4.734 4.267 ( -4.080 -0.059 -5.778) 7.073 4.356 ( -7.644 0.016 -9.036) 11.836 4.538 ( -2.364 -2.065 5.425) 6.268 4.745 ( 1.898 0.651 2.372) 3.107 4.893 ( -0.551 0.780 -6.041) 6.116 4.978 ( -6.700 1.835 -4.161) 8.097 5.411 ( -11.376 -0.724 7.768) 13.794 5.517 ( 1.342 -0.724 2.835) 3.219 6.016 ( -9.841 -0.539 -7.025) 12.103 6.101 ( -4.197 -0.064 -8.498) 9.478 6.403 ( -8.275 0.523 -1.775) 8.479 6.417 ( -3.851 0.326 4.225) 5.726 6.596 ( -3.102 -0.694 10.748) 11.208 6.696 ( -4.821 -1.063 4.762) 6.859 6.849 ( -2.144 1.524 0.200) 2.638 6.904 ( 0.225 -0.700 -3.942) 4.010 7.196 ( -6.468 0.703 2.543) 6.985 7.420 ( -1.009 2.150 -6.120) 6.564 7.654 ( -11.095 -0.011 -3.520) 11.640 7.726 ( 1.314 -0.741 -5.284) 5.496 7.940 ( 18.887 0.410 4.224) 19.358 7.993 ( 17.194 -0.341 3.379) 17.527 8.392 ( -3.454 0.202 3.458) 4.891 8.407 ( 5.270 -0.060 -0.954) 5.356 8.480 ( -6.939 -0.013 8.147) 10.701 8.642 ( 9.158 0.139 5.199) 10.531 9.000 ( -1.499 0.009 0.033) 1.499 9.026 ( 3.556 -0.099 -2.118) 4.140 9.368 ( 5.984 -0.650 -8.302) 10.254 9.410 ( -7.043 1.434 -12.908) 14.774 9.794 ( -2.345 -2.239 15.849) 16.177 10.120 ( -8.332 2.959 16.100) 18.368 10.550 ( -7.941 1.225 -9.938) 12.780 10.587 ( -2.549 -2.849 -12.922) 13.475 10.915 ( -5.646 0.356 6.705) 8.773 11.022 ( 3.415 -2.114 3.650) 5.427 11.136 ( 5.320 3.551 -2.068) 6.722 11.249 ( 0.149 -1.449 -6.212) 6.381 11.363 ( -6.663 2.159 0.476) 7.020 11.500 ( -6.801 -7.556 -4.088) 10.957 11.679 ( -0.685 1.977 11.881) 12.063 11.801 ( -2.550 -0.562 -0.134) 2.615 11.884 ( -13.534 1.881 -0.974) 13.699 11.953 ( -1.899 0.729 -1.697) 2.649 12.142 ( -0.071 -0.488 -0.857) 0.989 12.206 ( -0.295 -0.232 -1.181) 1.239 12.232 ( -5.234 -0.810 -5.611) 7.716 12.491 ( 5.094 1.015 -10.847) 12.026 12.803 ( -2.042 -0.090 0.184) 2.052 12.909 ( 7.568 -0.341 -4.993) 9.073 13.356 ( 3.906 -1.123 13.437) 14.038 13.492 ( 11.582 -0.237 5.868) 12.986 15.896 ( -4.716 0.219 1.697) 5.017 15.937 ( 3.660 -0.348 0.017) 3.676 16.342 ( 3.260 0.593 -0.639) 3.374 16.363 ( 3.461 0.724 -1.391) 3.800 16.730 ( -2.672 -0.001 1.516) 3.072 16.797 ( 3.273 -0.019 -1.252) 3.504 17.195 ( -14.130 -1.020 -0.644) 14.181 17.221 ( -6.217 -1.511 -1.856) 6.661 17.373 ( 3.498 0.233 1.196) 3.704 17.408 ( 3.704 0.362 -0.378) 3.740 17.768 ( 3.420 0.451 0.264) 3.460 17.793 ( 1.618 0.792 -0.778) 1.962 19.283 ( -19.515 0.593 3.677) 19.867 19.459 ( -12.273 -0.293 -3.789) 12.847 19.629 ( 5.559 -1.443 4.996) 7.612 19.854 ( -0.419 0.293 -4.731) 4.759 22.323 ( -7.271 0.996 4.601) 8.662 22.360 ( 13.564 -1.551 2.992) 13.977 22.847 ( 15.818 -0.629 -2.767) 16.070 22.884 ( 0.166 1.984 -4.231) 4.676 ======================= Grid point 107 (41/75) ======================= q-point: (-0.56 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.484 ( -2.556 0.983 3.996) 4.844 1.583 ( -1.328 4.475 5.600) 7.291 1.776 ( -3.230 -3.969 -4.381) 6.736 1.896 ( -2.848 2.068 -2.326) 4.219 2.019 ( -5.026 8.332 1.921) 9.919 2.063 ( -7.658 5.458 4.591) 10.465 2.164 ( -1.325 3.025 -3.180) 4.584 2.321 ( -3.574 0.039 -5.280) 6.376 2.395 ( -2.601 -5.941 1.382) 6.631 2.513 ( -3.095 -0.426 -4.133) 5.181 2.575 ( 1.201 0.590 1.011) 1.677 2.631 ( 1.980 -1.963 1.039) 2.975 2.663 ( 2.389 0.067 -1.417) 2.779 2.709 ( 1.868 -0.350 -0.236) 1.915 2.781 ( 0.056 1.208 1.966) 2.308 2.877 ( 2.390 1.862 -3.485) 4.618 2.919 ( 3.141 1.457 -2.735) 4.412 3.022 ( 6.188 4.183 -3.030) 8.061 3.076 ( 1.001 1.268 1.017) 1.908 3.116 ( 2.050 -1.684 0.559) 2.712 3.196 ( 1.057 -2.359 3.055) 4.002 3.284 ( 2.500 -3.591 1.412) 4.598 3.305 ( -2.541 -1.064 1.502) 3.137 3.400 ( -1.066 -1.384 -3.828) 4.208 3.613 ( -1.722 -0.793 2.719) 3.315 3.648 ( 1.379 -1.747 -3.046) 3.773 3.798 ( 1.111 2.987 4.045) 5.150 3.849 ( -4.311 4.609 2.697) 6.863 3.959 ( -3.592 4.174 0.676) 5.548 4.106 ( -1.396 4.633 -1.372) 5.030 4.191 ( -5.167 -6.436 -4.330) 9.321 4.254 ( -1.798 -1.029 -3.226) 3.834 4.515 ( -3.398 -5.157 6.758) 9.155 4.687 ( -8.519 0.985 4.510) 9.689 4.805 ( -8.798 0.371 -2.327) 9.108 4.874 ( -3.876 -3.506 -9.223) 10.601 5.054 ( -25.167 -2.960 10.785) 27.540 5.495 ( -8.571 0.602 -7.251) 11.243 5.773 ( -15.101 0.290 -0.798) 15.125 5.840 ( -14.103 -3.268 -3.662) 14.933 6.275 ( -1.079 1.250 1.708) 2.376 6.323 ( -3.665 2.879 7.679) 8.982 6.570 ( -3.524 -0.547 5.989) 6.970 6.641 ( -4.299 -2.260 0.408) 4.874 6.768 ( -4.940 0.489 -3.000) 5.800 6.807 ( -7.024 -0.779 -7.123) 10.034 7.112 ( -0.200 2.478 4.751) 5.362 7.318 ( -3.308 3.100 -4.466) 6.364 7.545 ( -0.760 1.769 2.777) 3.379 7.785 ( 2.615 -0.375 -7.068) 7.546 8.111 ( -16.572 -0.323 6.969) 17.981 8.227 ( 7.217 0.876 7.706) 10.594 8.374 ( 9.009 2.726 0.649) 9.435 8.474 ( 5.109 0.073 -3.852) 6.399 8.513 ( 7.034 -2.060 5.689) 9.278 8.819 ( 5.084 -1.079 2.732) 5.871 8.935 ( -4.603 1.032 1.034) 4.829 9.136 ( 6.618 0.823 -11.155) 12.996 9.320 ( 5.965 1.331 -0.160) 6.114 9.495 ( 6.988 0.282 -6.517) 9.560 9.725 ( -6.414 -0.503 8.089) 10.335 9.889 ( -13.414 -1.099 13.542) 19.093 10.317 ( -13.690 2.165 -7.423) 15.723 10.542 ( -6.860 -5.807 -15.001) 17.488 10.741 ( -11.284 -0.203 6.127) 12.841 10.980 ( -9.486 0.962 -4.907) 10.723 11.123 ( -2.197 5.489 -1.209) 6.034 11.176 ( -0.206 4.321 1.673) 4.638 11.353 ( -1.678 -5.800 5.401) 8.101 11.415 ( -8.643 -6.149 -3.423) 11.146 11.541 ( -12.688 0.156 2.573) 12.948 11.659 ( -3.536 0.124 9.140) 9.801 11.722 ( -4.311 -2.675 -5.229) 7.286 11.906 ( -1.825 0.890 -2.154) 2.960 12.164 ( -1.229 -2.598 -2.927) 4.102 12.170 ( 1.006 -1.414 -2.162) 2.773 12.251 ( 0.826 -1.653 3.398) 3.868 12.554 ( 1.731 0.442 -8.684) 8.866 12.802 ( 0.497 -0.749 4.592) 4.679 13.061 ( 6.340 -3.083 -6.768) 9.773 13.631 ( 23.157 -0.495 10.924) 25.609 13.868 ( 26.280 0.299 -0.263) 26.283 15.813 ( -3.747 -0.036 5.052) 6.290 16.016 ( 3.833 -0.911 -3.385) 5.194 16.423 ( 5.765 1.727 -0.169) 6.020 16.458 ( 6.909 1.902 -1.440) 7.309 16.660 ( -4.381 0.483 3.373) 5.550 16.819 ( -3.447 0.399 -3.206) 4.725 16.929 ( -11.935 -4.253 3.022) 13.025 17.093 ( -8.516 -3.794 -3.897) 10.105 17.418 ( 1.335 1.635 0.830) 2.268 17.459 ( 1.612 1.320 -0.944) 2.288 17.821 ( 2.091 1.042 0.016) 2.336 17.830 ( 3.403 0.977 -0.334) 3.556 18.834 ( -28.161 -2.849 5.399) 28.816 19.138 ( -23.478 -5.207 -7.597) 25.220 19.759 ( 6.733 0.123 4.013) 7.839 19.885 ( 2.931 -1.541 -1.504) 3.637 22.185 ( -4.142 4.065 7.732) 9.668 22.557 ( 6.485 1.020 -7.343) 9.850 22.967 ( 11.294 3.518 3.984) 12.482 23.169 ( 16.823 0.257 -3.964) 17.286 ======================= Grid point 108 (42/75) ======================= q-point: (-0.44 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.397 ( -5.117 4.116 3.575) 7.476 1.504 ( -3.620 4.440 4.766) 7.452 1.714 ( -8.460 9.832 4.165) 13.624 1.733 ( -3.163 3.573 -3.926) 6.179 1.841 ( -6.679 6.433 -4.150) 10.159 1.888 ( -4.713 3.060 6.465) 8.565 2.091 ( -2.604 6.095 -9.550) 11.625 2.228 ( -4.340 2.505 -8.334) 9.724 2.427 ( -1.280 -0.608 2.856) 3.188 2.436 ( -2.676 -3.576 1.100) 4.600 2.587 ( -0.817 -0.494 5.529) 5.611 2.673 ( 0.102 -2.068 -0.967) 2.285 2.699 ( -0.157 -0.928 -0.690) 1.167 2.754 ( 1.467 0.761 -1.689) 2.363 2.799 ( 2.216 1.383 2.746) 3.790 2.906 ( 0.361 2.669 -2.162) 3.454 2.945 ( 0.017 1.257 -0.115) 1.262 3.012 ( -4.288 7.906 -1.535) 9.124 3.105 ( 4.210 1.556 2.468) 5.122 3.154 ( 3.296 -1.087 -3.424) 4.876 3.216 ( 2.137 2.082 -1.384) 3.289 3.260 ( -2.182 -2.813 -0.183) 3.565 3.384 ( 2.410 -5.447 0.685) 5.996 3.429 ( 1.554 -4.848 -2.503) 5.673 3.609 ( 0.369 -1.550 1.235) 2.016 3.657 ( -0.699 3.607 -1.036) 3.817 3.711 ( -5.275 1.721 4.877) 7.388 3.728 ( -3.430 4.825 2.045) 6.263 3.874 ( -2.625 2.417 0.548) 3.610 3.959 ( -7.074 6.188 -1.308) 9.489 4.120 ( -7.993 -3.028 -1.567) 8.690 4.254 ( -2.556 -1.990 -3.085) 4.473 4.377 ( -22.207 -10.443 1.080) 24.564 4.444 ( -11.971 -2.676 1.439) 12.351 4.601 ( -12.295 -1.362 -0.061) 12.370 4.660 ( -20.817 -9.221 -3.688) 23.064 4.805 ( -0.252 -7.646 11.278) 13.628 5.305 ( -3.301 -2.146 -11.147) 11.822 5.541 ( -10.981 1.120 1.963) 11.211 5.727 ( -3.752 -2.782 -1.637) 4.949 6.220 ( -2.339 4.531 5.622) 7.590 6.300 ( 3.784 3.380 7.169) 8.783 6.455 ( -8.356 1.002 0.912) 8.465 6.471 ( -10.846 -0.051 1.124) 10.905 6.699 ( -1.946 0.408 -5.093) 5.468 6.777 ( 2.078 0.491 -6.701) 7.033 7.103 ( 1.044 2.935 3.661) 4.807 7.272 ( 0.279 2.236 -2.153) 3.116 7.526 ( -1.700 2.909 2.480) 4.184 7.773 ( -11.830 -0.984 7.374) 13.974 7.803 ( -5.553 -1.116 -3.575) 6.698 8.263 ( -3.759 2.600 4.775) 6.610 8.329 ( -4.922 0.175 -3.701) 6.161 8.391 ( -6.539 1.179 -7.492) 10.014 8.759 ( 0.088 1.439 2.451) 2.843 8.797 ( -5.885 1.601 0.338) 6.108 8.944 ( 13.407 0.399 6.882) 15.076 9.127 ( -2.752 1.299 -1.345) 3.327 9.522 ( -11.174 2.176 5.235) 12.530 9.621 ( 6.785 4.547 2.288) 8.482 9.706 ( -8.199 -4.312 -4.622) 10.353 9.739 ( 25.979 -5.062 -3.126) 26.652 10.058 ( -9.602 -1.081 3.570) 10.301 10.380 ( -11.068 -0.818 -4.239) 11.880 10.581 ( -7.500 -7.067 -7.042) 12.481 10.738 ( -11.527 2.771 -4.827) 12.801 11.049 ( -1.835 3.393 -0.679) 3.917 11.116 ( -5.645 3.842 -0.230) 6.833 11.182 ( -7.977 -0.189 8.518) 11.671 11.288 ( -8.096 -2.582 2.036) 8.738 11.525 ( 2.083 -7.475 0.777) 7.799 11.636 ( -0.074 -2.268 6.900) 7.264 11.702 ( -1.570 -3.703 -2.148) 4.560 11.883 ( -0.113 -0.303 -2.868) 2.886 12.152 ( -3.525 -0.643 0.359) 3.601 12.196 ( 0.372 -3.130 -0.154) 3.156 12.295 ( 1.390 -5.427 -0.419) 5.618 12.536 ( -4.522 -1.817 -8.423) 9.732 12.832 ( 1.825 -2.268 9.348) 9.791 13.224 ( 6.583 -7.338 -7.399) 12.326 14.186 ( 33.093 1.712 7.103) 33.890 14.442 ( 33.119 2.377 -4.177) 33.466 15.757 ( -2.003 -0.253 8.180) 8.425 16.089 ( 2.529 -1.156 -6.337) 6.921 16.474 ( -7.264 -0.452 2.213) 7.608 16.505 ( -1.046 1.155 2.041) 2.567 16.631 ( 5.522 0.727 -0.628) 5.605 16.662 ( -4.750 -3.473 -0.020) 5.884 16.884 ( -0.544 -1.954 -0.034) 2.028 16.977 ( -6.925 -4.892 -3.444) 9.151 17.379 ( -3.638 3.232 0.572) 4.900 17.432 ( -2.562 3.181 -1.842) 4.480 17.852 ( 1.775 0.944 0.751) 2.146 17.879 ( 2.539 1.229 -0.492) 2.864 18.249 ( -35.959 -6.484 6.767) 37.160 18.637 ( -34.483 -9.247 -10.005) 37.077 19.861 ( 4.189 1.055 4.906) 6.536 19.985 ( 5.004 -2.645 -0.797) 5.716 22.098 ( 0.217 8.617 8.088) 11.820 22.633 ( 5.252 5.858 -16.789) 18.541 23.223 ( 16.773 2.845 10.479) 19.981 23.484 ( 16.081 0.494 -2.736) 16.319 ======================= Grid point 109 (43/75) ======================= q-point: (-0.33 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.189 ( -7.491 14.748 4.599) 17.169 1.302 ( -9.858 17.414 6.193) 20.947 1.486 ( -6.342 2.534 2.687) 7.339 1.646 ( -2.905 6.503 -5.041) 8.726 1.696 ( -2.006 4.021 -8.531) 9.642 1.831 ( -1.292 -0.164 5.458) 5.611 1.900 ( -10.295 6.768 -11.035) 16.540 2.177 ( 0.560 -0.340 -7.278) 7.308 2.303 ( -7.504 21.053 7.754) 23.657 2.383 ( -0.782 5.576 9.819) 11.319 2.535 ( -4.147 2.822 8.346) 9.738 2.615 ( -3.429 -2.990 -1.628) 4.832 2.677 ( -0.165 3.926 -1.873) 4.353 2.728 ( -1.970 -2.370 -2.024) 3.687 2.789 ( -0.947 1.406 1.661) 2.373 2.858 ( -2.586 -1.979 -3.326) 4.655 2.933 ( 0.833 5.424 -2.842) 6.180 2.993 ( 1.951 -3.921 2.302) 4.948 3.163 ( 2.423 -1.496 -1.987) 3.472 3.206 ( -1.409 -1.034 -3.955) 4.324 3.242 ( 2.244 0.946 0.507) 2.487 3.326 ( 6.579 -2.332 -0.550) 7.001 3.432 ( 1.428 0.313 1.578) 2.152 3.527 ( 1.253 -5.851 0.631) 6.017 3.566 ( -4.407 2.427 -0.445) 5.051 3.601 ( -5.736 -1.448 -0.759) 5.965 3.619 ( 0.575 2.415 1.254) 2.781 3.670 ( -1.125 0.526 0.723) 1.437 3.764 ( -3.693 -2.131 1.423) 4.495 3.831 ( -6.812 4.782 0.314) 8.329 3.942 ( -8.379 -1.765 -0.172) 8.565 4.033 ( -9.781 -6.808 -1.976) 12.080 4.178 ( -9.957 -7.393 2.338) 12.620 4.370 ( -4.390 -6.795 -6.434) 10.337 4.421 ( -10.304 -9.799 -1.316) 14.280 4.509 ( -1.820 -9.336 -0.197) 9.514 4.956 ( 6.460 -6.853 8.626) 12.771 5.223 ( -8.954 0.069 6.043) 10.802 5.434 ( -0.270 -2.436 -8.663) 9.003 5.661 ( -3.777 -0.473 -10.940) 11.583 6.152 ( -0.008 6.274 7.517) 9.792 6.252 ( -8.355 -0.005 1.226) 8.444 6.306 ( -4.527 3.272 -0.304) 5.594 6.381 ( 4.860 4.429 9.447) 11.510 6.663 ( -0.772 2.755 -5.432) 6.139 6.822 ( 3.582 3.441 -6.067) 7.841 7.096 ( 0.739 3.198 3.241) 4.613 7.263 ( -1.340 1.053 2.951) 3.408 7.365 ( -8.491 0.510 -0.811) 8.545 7.659 ( -2.131 1.370 7.174) 7.608 7.685 ( -7.732 -0.632 -6.554) 10.156 8.078 ( -11.228 -0.596 8.779) 14.265 8.177 ( -8.756 -1.413 -14.298) 16.826 8.358 ( 3.161 3.250 -1.531) 4.785 8.643 ( -7.323 2.402 2.575) 8.126 8.675 ( -4.566 2.435 0.281) 5.182 9.018 ( -5.039 1.980 4.424) 6.992 9.181 ( 8.526 0.582 3.781) 9.344 9.371 ( -3.765 2.808 -3.200) 5.684 9.516 ( -8.057 -2.020 -5.174) 9.786 9.731 ( 4.888 5.472 8.575) 11.286 9.925 ( -2.583 0.547 6.841) 7.332 10.129 ( -1.261 -2.793 -3.174) 4.412 10.353 ( 4.969 -2.887 -8.090) 9.923 10.592 ( 6.157 -5.932 -0.669) 8.576 10.600 ( 2.176 -7.972 -0.432) 8.275 10.901 ( -9.305 -0.860 5.530) 10.858 11.016 ( -2.608 -0.339 -0.986) 2.809 11.146 ( 0.204 0.899 2.079) 2.274 11.191 ( -2.041 -0.418 0.522) 2.147 11.595 ( 0.855 -1.043 3.516) 3.766 11.664 ( -0.552 -1.477 0.621) 1.694 11.736 ( 1.090 -8.763 3.555) 9.520 11.900 ( 0.261 -1.415 -0.225) 1.456 12.046 ( -6.834 -1.986 0.665) 7.148 12.241 ( 1.234 -3.315 -0.245) 3.546 12.365 ( -0.526 -4.057 -5.583) 6.922 12.435 ( -6.165 -5.226 -5.452) 9.748 12.922 ( 3.930 -6.319 14.699) 16.475 13.437 ( 6.432 -12.624 -7.715) 16.133 14.795 ( 30.063 5.608 5.280) 31.034 15.062 ( 32.671 4.978 -7.446) 33.877 15.758 ( 3.006 -0.453 11.837) 12.221 16.108 ( -3.832 -2.718 -1.924) 5.077 16.278 ( -9.584 -2.865 -0.453) 10.013 16.453 ( -3.290 -5.944 0.242) 6.798 16.673 ( -1.278 -2.364 -0.178) 2.693 16.753 ( 4.916 0.650 -2.885) 5.737 16.908 ( 1.616 -2.149 0.205) 2.697 16.914 ( -3.552 -3.827 -0.888) 5.296 17.212 ( -11.493 2.029 0.633) 11.688 17.301 ( -9.201 2.662 -3.883) 10.335 17.611 ( -29.926 -5.480 8.232) 31.517 17.877 ( -0.332 1.645 0.081) 1.680 17.903 ( 0.191 1.519 -0.670) 1.671 18.018 ( -31.011 -4.925 -9.428) 32.784 19.909 ( 1.819 1.127 6.701) 7.034 20.089 ( 3.189 -2.057 -1.555) 4.101 22.026 ( 1.305 13.718 7.243) 15.567 22.665 ( 4.404 10.025 -24.482) 26.820 23.533 ( 15.422 -0.345 12.456) 19.827 23.764 ( 11.928 -1.097 -0.121) 11.979 ======================= Grid point 110 (44/75) ======================= q-point: (-0.22 0.22 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 0.949 ( -0.000 20.999 6.336) 21.934 0.978 ( -0.000 21.667 12.571) 25.050 1.400 ( -0.000 3.464 -3.609) 5.002 1.554 ( -0.000 7.585 -7.193) 10.453 1.618 ( -0.000 11.080 -18.199) 21.307 1.716 ( -0.000 0.234 -3.600) 3.607 1.867 ( 0.000 -2.632 8.085) 8.503 1.991 ( -0.000 25.110 14.459) 28.975 2.209 ( 0.000 -2.095 -4.738) 5.181 2.324 ( -0.000 5.597 15.916) 16.872 2.432 ( -0.000 7.658 7.305) 10.583 2.615 ( -0.000 7.170 -7.146) 10.123 2.646 ( 0.000 -8.867 1.768) 9.042 2.752 ( -0.000 1.601 -2.930) 3.339 2.753 ( 0.000 -1.077 -4.256) 4.390 2.843 ( 0.000 -4.380 -6.327) 7.695 2.903 ( -0.000 5.485 -0.628) 5.521 3.044 ( 0.000 -4.920 4.928) 6.963 3.193 ( -0.000 0.240 -7.573) 7.577 3.204 ( 0.000 -1.444 -2.685) 3.049 3.255 ( -0.000 0.387 3.696) 3.716 3.413 ( -0.000 0.029 1.743) 1.743 3.431 ( -0.000 0.171 9.358) 9.360 3.489 ( -0.000 0.635 -2.307) 2.393 3.578 ( 0.000 -1.269 -0.416) 1.335 3.625 ( -0.000 1.886 1.586) 2.464 3.631 ( 0.000 -4.518 -5.316) 6.977 3.636 ( -0.000 0.636 2.955) 3.023 3.664 ( 0.000 -2.263 -1.152) 2.539 3.772 ( -0.000 0.736 -3.318) 3.398 3.881 ( 0.000 -5.495 5.396) 7.701 4.007 ( 0.000 -6.466 -9.186) 11.234 4.160 ( 0.000 -10.054 3.454) 10.630 4.364 ( 0.000 -5.093 -5.033) 7.161 4.398 ( 0.000 -9.072 1.992) 9.288 4.603 ( 0.000 -10.938 -2.632) 11.250 5.033 ( -0.000 4.414 8.923) 9.955 5.154 ( 0.000 -5.932 4.146) 7.238 5.439 ( 0.000 -1.550 -8.149) 8.295 5.625 ( -0.000 1.777 -15.451) 15.553 6.106 ( -0.000 5.633 8.179) 9.931 6.163 ( -0.000 0.114 1.366) 1.370 6.228 ( -0.000 3.125 -1.270) 3.373 6.402 ( -0.000 6.526 9.972) 11.918 6.622 ( -0.000 4.522 -5.202) 6.892 6.832 ( -0.000 3.692 -5.710) 6.799 7.077 ( -0.000 2.997 2.798) 4.100 7.203 ( 0.000 -1.440 7.528) 7.665 7.309 ( -0.000 2.117 -7.783) 8.066 7.568 ( -0.000 0.169 -6.879) 6.881 7.634 ( -0.000 0.790 7.003) 7.047 7.937 ( -0.000 2.263 15.914) 16.074 8.107 ( 0.000 -3.373 -12.607) 13.050 8.398 ( -0.000 2.444 -7.790) 8.164 8.509 ( -0.000 3.692 6.222) 7.235 8.605 ( -0.000 2.592 -0.183) 2.598 8.949 ( -0.000 1.972 4.467) 4.883 9.263 ( 0.000 -0.239 4.759) 4.765 9.291 ( -0.000 2.374 -10.574) 10.837 9.467 ( 0.000 -1.722 -1.676) 2.403 9.738 ( -0.000 3.412 13.326) 13.756 9.875 ( -0.000 2.495 11.238) 11.512 10.118 ( 0.000 -1.838 -5.765) 6.051 10.351 ( 0.000 -0.953 -12.267) 12.304 10.716 ( 0.000 -6.901 9.348) 11.620 10.790 ( 0.000 -1.656 7.982) 8.152 10.906 ( 0.000 -13.623 -0.725) 13.642 10.984 ( 0.000 -1.367 -2.198) 2.588 11.147 ( -0.000 0.069 1.435) 1.436 11.193 ( 0.000 -2.798 -0.184) 2.804 11.599 ( -0.000 0.154 4.545) 4.547 11.657 ( 0.000 -0.051 0.101) 0.114 11.834 ( 0.000 -8.922 2.133) 9.174 11.886 ( 0.000 -0.428 6.107) 6.122 12.007 ( 0.000 -2.695 -4.432) 5.187 12.301 ( 0.000 -3.747 1.350) 3.983 12.311 ( 0.000 -1.439 -9.519) 9.627 12.459 ( 0.000 -6.037 -4.423) 7.483 13.068 ( 0.000 -15.173 22.263) 26.942 13.636 ( 0.000 -16.049 -6.560) 17.338 15.077 ( -0.000 8.485 6.521) 10.702 15.391 ( -0.000 6.371 -9.401) 11.356 15.932 ( -0.000 1.967 4.753) 5.143 16.005 ( 0.000 -12.645 20.053) 23.707 16.189 ( -0.000 1.705 -6.743) 6.955 16.548 ( 0.000 -0.222 5.628) 5.632 16.609 ( 0.000 -15.595 -9.411) 18.215 16.781 ( 0.000 -0.138 -6.072) 6.073 16.874 ( 0.000 -3.047 1.423) 3.363 16.999 ( 0.000 -6.107 -5.088) 7.949 17.000 ( 0.000 -0.254 4.750) 4.757 17.130 ( 0.000 -0.185 -1.816) 1.826 17.332 ( -0.000 4.147 6.385) 7.613 17.632 ( -0.000 5.119 -8.058) 9.547 17.879 ( -0.000 2.054 0.640) 2.151 17.910 ( -0.000 1.742 -0.327) 1.773 19.918 ( -0.000 0.442 8.196) 8.208 20.135 ( 0.000 -1.648 -1.958) 2.560 21.908 ( -0.000 17.515 6.215) 18.585 22.608 ( -0.000 15.653 -31.378) 35.065 23.735 ( 0.000 -4.844 10.371) 11.447 23.914 ( 0.000 -2.852 1.893) 3.423 ======================= Grid point 115 (45/75) ======================= q-point: (-0.67 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.491 ( -2.649 -0.000 4.534) 5.251 1.648 ( -0.665 -0.000 6.984) 7.015 1.715 ( -3.571 -0.000 -4.754) 5.946 1.914 ( -1.367 -0.000 -4.440) 4.646 2.111 ( -6.935 -0.000 4.923) 8.504 2.116 ( -1.338 -0.000 2.442) 2.785 2.193 ( 2.044 0.000 -1.017) 2.283 2.317 ( -3.061 -0.000 -5.540) 6.330 2.328 ( -7.567 -0.000 1.821) 7.783 2.500 ( -2.629 -0.000 -4.791) 5.465 2.589 ( 1.638 0.000 -1.258) 2.066 2.614 ( 3.127 0.000 2.156) 3.798 2.673 ( 2.471 0.000 -3.941) 4.651 2.699 ( -0.825 -0.000 2.008) 2.171 2.792 ( -0.495 -0.000 2.631) 2.678 2.890 ( 0.689 0.000 -3.389) 3.458 2.953 ( 2.015 0.000 -0.717) 2.139 3.034 ( 5.891 0.000 -1.288) 6.030 3.093 ( 0.685 0.000 4.034) 4.092 3.097 ( 5.046 0.000 -2.904) 5.822 3.174 ( -0.047 -0.000 -1.564) 1.564 3.230 ( 2.942 0.000 1.638) 3.367 3.314 ( 0.832 0.000 0.659) 1.061 3.411 ( -2.283 -0.000 -5.598) 6.046 3.599 ( -2.664 -0.000 4.220) 4.990 3.600 ( 2.212 0.000 0.820) 2.359 3.832 ( 3.146 0.000 2.665) 4.123 3.939 ( -2.642 -0.000 -0.287) 2.658 3.988 ( -7.388 -0.000 -0.017) 7.388 4.069 ( 2.350 0.000 -4.126) 4.748 4.192 ( -7.198 -0.000 -2.594) 7.651 4.233 ( -0.474 -0.000 -1.681) 1.747 4.466 ( -5.009 -0.000 6.964) 8.579 4.698 ( -9.130 -0.000 5.708) 10.768 4.810 ( -10.937 -0.000 -1.048) 10.987 4.846 ( -5.295 -0.000 -10.604) 11.852 5.025 ( -26.334 -0.000 12.502) 29.151 5.500 ( -7.585 -0.000 -6.968) 10.300 5.787 ( -18.230 -0.000 -3.056) 18.485 5.800 ( -11.754 -0.000 -4.436) 12.563 6.293 ( -0.361 -0.000 2.108) 2.139 6.349 ( -2.668 -0.000 8.315) 8.732 6.560 ( -3.225 -0.000 6.451) 7.213 6.617 ( -3.512 -0.000 0.449) 3.541 6.783 ( -4.371 -0.000 -2.666) 5.120 6.792 ( -7.927 -0.000 -8.392) 11.544 7.134 ( -0.398 -0.000 5.122) 5.137 7.346 ( -4.063 -0.000 -3.730) 5.515 7.562 ( 0.183 0.000 1.995) 2.004 7.781 ( 2.160 0.000 -6.602) 6.947 8.108 ( -16.686 -0.000 6.696) 17.979 8.234 ( 8.242 0.000 8.897) 12.128 8.398 ( 9.427 0.000 1.710) 9.580 8.482 ( -0.099 -0.000 -10.752) 10.753 8.487 ( 12.410 0.000 11.534) 16.942 8.809 ( 4.562 0.000 3.026) 5.474 8.943 ( -4.197 -0.000 1.168) 4.357 9.143 ( 6.281 0.000 -11.518) 13.120 9.333 ( 4.759 0.000 -0.650) 4.803 9.500 ( 8.227 0.000 -6.158) 10.276 9.717 ( -3.710 -0.000 7.388) 8.267 9.884 ( -16.568 -0.000 12.592) 20.810 10.346 ( -14.135 -0.000 -4.872) 14.951 10.480 ( -6.403 -0.000 -18.934) 19.987 10.740 ( -12.163 -0.000 8.669) 14.936 10.985 ( -7.830 -0.000 -3.008) 8.388 11.219 ( -0.781 -0.000 -0.632) 1.005 11.248 ( -4.043 -0.000 1.919) 4.476 11.249 ( 1.442 0.000 -0.920) 1.711 11.319 ( -6.462 -0.000 -2.132) 6.805 11.555 ( -17.438 -0.000 1.812) 17.532 11.663 ( -2.674 -0.000 11.175) 11.490 11.699 ( -5.503 -0.000 -5.271) 7.620 11.913 ( -2.187 -0.000 -1.555) 2.683 12.141 ( -1.118 -0.000 -2.916) 3.123 12.157 ( 1.488 0.000 -1.901) 2.414 12.237 ( -0.582 -0.000 3.513) 3.561 12.559 ( 1.172 0.000 -8.775) 8.853 12.796 ( 0.121 0.000 4.014) 4.016 13.032 ( 4.991 0.000 -5.598) 7.500 13.627 ( 24.031 0.000 10.395) 26.183 13.869 ( 26.657 0.000 -0.697) 26.666 15.812 ( -3.896 -0.000 4.917) 6.274 16.009 ( 3.813 0.000 -3.186) 4.969 16.441 ( 6.300 0.000 -0.287) 6.307 16.476 ( 7.443 0.000 -1.611) 7.615 16.665 ( -4.473 -0.000 3.538) 5.703 16.822 ( -5.392 -0.000 -3.045) 6.192 16.891 ( -11.256 -0.000 2.837) 11.608 17.059 ( -8.868 -0.000 -4.193) 9.809 17.432 ( 1.825 0.000 0.896) 2.033 17.471 ( 2.167 0.000 -0.837) 2.323 17.830 ( 1.860 0.000 -0.028) 1.860 17.838 ( 3.307 0.000 -0.361) 3.326 18.813 ( -29.184 -0.000 5.361) 29.672 19.095 ( -24.336 -0.000 -6.349) 25.151 19.763 ( 7.745 0.000 2.792) 8.233 19.869 ( 1.882 0.000 -1.523) 2.421 22.219 ( -3.354 -0.000 7.738) 8.434 22.563 ( 7.982 0.000 -5.715) 9.817 22.998 ( 10.647 0.000 2.551) 10.948 23.171 ( 17.154 0.000 -3.815) 17.573 ======================= Grid point 117 (46/75) ======================= q-point: (-0.56 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.425 ( -3.941 0.288 3.095) 5.020 1.591 ( -2.099 5.752 4.121) 7.381 1.681 ( -2.485 -4.552 -0.883) 5.261 1.869 ( -2.201 2.158 -2.801) 4.165 1.964 ( -6.276 4.845 4.081) 8.917 2.010 ( -5.561 13.623 4.986) 15.537 2.195 ( -0.722 4.839 -7.080) 8.606 2.253 ( -2.782 -5.474 -0.761) 6.187 2.269 ( -2.389 -6.154 -4.250) 7.851 2.427 ( -5.005 -1.954 -5.430) 7.639 2.617 ( 1.049 3.232 3.768) 5.074 2.652 ( 0.863 0.400 2.099) 2.304 2.688 ( 0.705 -0.940 1.881) 2.218 2.723 ( 0.968 -3.408 0.346) 3.560 2.806 ( 1.980 0.386 2.861) 3.501 2.904 ( 0.931 -0.558 -1.954) 2.235 3.011 ( 4.041 3.157 -1.171) 5.260 3.115 ( 2.414 1.655 0.699) 3.009 3.134 ( 2.585 -1.122 -3.530) 4.517 3.143 ( 0.290 1.854 -2.400) 3.047 3.186 ( 0.046 -2.816 0.097) 2.818 3.288 ( -2.997 4.988 -2.900) 6.502 3.319 ( 4.616 -1.458 -0.876) 4.919 3.371 ( -0.018 -2.037 -3.530) 4.076 3.561 ( -1.648 -2.143 2.968) 4.015 3.650 ( 0.411 -2.552 -1.926) 3.224 3.796 ( -6.262 5.569 -0.665) 8.406 3.824 ( -2.868 4.352 2.886) 5.958 3.902 ( -2.775 0.405 -1.698) 3.279 4.046 ( -6.601 1.230 3.032) 7.367 4.059 ( -6.818 -0.745 -2.848) 7.426 4.218 ( -19.920 -7.021 1.612) 21.183 4.240 ( -2.981 -0.094 -0.321) 3.000 4.428 ( -16.643 0.339 5.760) 17.614 4.547 ( -25.623 -3.459 -6.222) 26.594 4.594 ( -13.670 -0.009 0.404) 13.676 4.679 ( -3.537 -5.919 14.437) 15.999 5.276 ( -4.829 -1.092 -12.306) 13.264 5.559 ( -12.198 0.803 0.841) 12.253 5.689 ( -1.692 -1.491 -3.510) 4.172 6.301 ( 0.843 4.460 6.826) 8.197 6.339 ( 3.321 0.361 7.861) 8.542 6.456 ( -11.359 -0.131 0.976) 11.402 6.472 ( -6.148 -0.248 0.718) 6.195 6.711 ( -1.740 0.892 -4.433) 4.845 6.771 ( 4.000 -0.820 -7.577) 8.607 7.139 ( 0.997 1.215 3.750) 4.066 7.297 ( -0.961 0.721 -0.623) 1.353 7.566 ( -2.996 1.482 0.958) 3.477 7.768 ( -8.363 0.433 3.040) 8.909 7.784 ( -7.696 -1.201 1.993) 8.040 8.287 ( -10.890 0.365 7.821) 13.412 8.334 ( -0.011 0.373 -2.332) 2.362 8.400 ( -6.157 0.135 -8.713) 10.670 8.786 ( -0.645 1.661 1.185) 2.140 8.806 ( -3.987 -0.488 0.640) 4.068 8.957 ( 16.042 0.701 4.872) 16.780 9.142 ( -2.235 0.454 -2.489) 3.376 9.528 ( -13.248 -0.850 3.673) 13.774 9.657 ( -0.246 -0.407 -6.740) 6.757 9.685 ( 10.223 1.722 2.021) 10.562 9.699 ( 17.218 -0.730 0.730) 17.248 10.049 ( -13.318 -0.099 1.822) 13.443 10.361 ( -6.291 -1.103 -15.940) 17.171 10.499 ( -11.613 -2.331 5.661) 13.128 10.770 ( -11.862 0.980 -4.405) 12.691 11.118 ( -3.972 4.701 -0.940) 6.226 11.160 ( -15.652 0.325 6.957) 17.132 11.195 ( -0.781 2.254 2.367) 3.360 11.230 ( -5.446 -4.191 0.046) 6.872 11.403 ( 3.146 -5.219 2.103) 6.446 11.626 ( -0.864 0.524 5.529) 5.620 11.651 ( -0.942 -2.316 -2.558) 3.577 11.878 ( -1.312 -0.205 -2.651) 2.965 12.151 ( -0.786 0.116 0.288) 0.845 12.164 ( -2.739 -0.106 1.568) 3.158 12.213 ( 0.643 -3.898 -0.374) 3.968 12.519 ( -5.612 -0.319 -8.833) 10.470 12.806 ( 1.014 -0.828 7.700) 7.811 13.133 ( 4.652 -3.095 -5.810) 8.061 14.206 ( 34.611 0.671 6.344) 35.194 14.463 ( 33.758 0.455 -4.638) 34.078 15.753 ( -2.169 -0.163 8.005) 8.295 16.078 ( 3.080 -0.294 -6.042) 6.788 16.488 ( -14.166 1.448 2.200) 14.409 16.526 ( -4.629 0.903 1.454) 4.935 16.598 ( 1.112 -2.594 1.442) 3.169 16.649 ( 7.097 0.306 -1.079) 7.185 16.863 ( -0.213 -0.525 -1.162) 1.292 16.916 ( -6.259 -2.129 -3.625) 7.540 17.417 ( -3.544 1.228 0.594) 3.798 17.472 ( -1.975 1.337 -1.971) 3.094 17.860 ( 0.687 0.119 1.132) 1.329 17.892 ( 2.437 0.366 -0.502) 2.515 18.186 ( -34.743 -1.587 6.390) 35.361 18.544 ( -32.623 -2.507 -8.688) 33.853 19.892 ( 5.016 2.439 2.468) 6.099 19.938 ( 4.833 -2.950 0.448) 5.680 22.193 ( 1.447 2.830 8.165) 8.762 22.688 ( 6.008 1.367 -14.038) 15.331 23.254 ( 15.168 0.953 8.752) 17.538 23.488 ( 15.396 0.064 -2.674) 15.627 ======================= Grid point 118 (47/75) ======================= q-point: (-0.44 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.342 ( -3.171 3.165 1.089) 4.611 1.490 ( -2.231 7.604 1.806) 8.128 1.654 ( -5.501 8.377 4.532) 10.999 1.712 ( -5.772 7.818 1.042) 9.773 1.801 ( -2.966 6.800 -3.625) 8.257 1.841 ( -2.084 2.878 5.694) 6.711 2.053 ( -10.700 8.809 -10.456) 17.361 2.180 ( -1.310 0.640 -9.742) 9.851 2.338 ( 0.574 -10.455 2.469) 10.757 2.442 ( 3.149 -1.485 1.302) 3.717 2.568 ( -2.952 5.996 6.649) 9.427 2.622 ( -2.747 -1.481 1.279) 3.373 2.700 ( -1.374 -0.424 -0.435) 1.502 2.772 ( 1.588 0.264 -1.077) 1.937 2.827 ( -0.434 0.305 3.657) 3.695 2.925 ( -0.501 5.624 -1.736) 5.907 2.972 ( -2.262 9.841 -0.971) 10.144 3.027 ( -0.395 7.126 -0.484) 7.154 3.143 ( 1.075 -0.961 -4.063) 4.311 3.181 ( -0.057 -1.533 -2.287) 2.754 3.232 ( 0.766 -3.248 1.021) 3.490 3.257 ( 2.611 -4.406 -3.140) 6.007 3.417 ( 3.225 -1.974 0.277) 3.791 3.440 ( 3.204 -3.497 0.024) 4.743 3.557 ( -1.366 -1.602 0.365) 2.136 3.605 ( -6.866 0.350 -1.860) 7.122 3.654 ( -4.014 1.921 1.072) 4.577 3.708 ( -2.137 4.025 3.388) 5.678 3.785 ( -6.307 1.525 2.397) 6.918 3.862 ( -15.162 -4.030 -3.494) 16.073 3.915 ( -1.164 2.671 -2.101) 3.592 3.973 ( -5.931 -1.178 3.179) 6.832 4.082 ( -14.796 -3.232 0.611) 15.157 4.234 ( -8.196 -8.574 1.060) 11.909 4.280 ( -4.379 -5.930 -4.560) 8.668 4.402 ( -5.775 -3.778 2.339) 7.287 4.787 ( 4.437 -11.369 12.149) 17.220 5.245 ( -4.477 2.279 0.895) 5.102 5.380 ( -3.520 -3.494 -4.929) 6.992 5.644 ( -3.366 -1.370 -14.814) 15.253 6.250 ( -7.803 0.502 2.256) 8.138 6.272 ( 0.798 6.671 7.287) 9.912 6.348 ( -4.772 1.638 -1.209) 5.188 6.444 ( 6.427 2.423 11.133) 13.082 6.695 ( 0.300 1.078 -4.697) 4.829 6.877 ( 6.345 2.727 -6.330) 9.368 7.144 ( 0.861 2.318 3.438) 4.235 7.271 ( -3.891 0.050 5.827) 7.006 7.369 ( -8.387 -0.040 0.445) 8.399 7.677 ( -6.197 -0.242 -6.121) 8.713 7.688 ( -2.355 1.604 4.809) 5.590 8.059 ( -10.002 -1.168 8.590) 13.236 8.157 ( -11.573 -1.013 -13.694) 17.958 8.405 ( 3.009 2.142 -2.612) 4.524 8.677 ( -6.713 1.532 3.349) 7.657 8.706 ( -4.301 1.320 0.465) 4.523 9.047 ( -5.350 1.280 5.037) 7.458 9.227 ( 10.569 4.189 -2.401) 11.619 9.400 ( -0.737 -0.203 -1.532) 1.712 9.493 ( -10.674 0.132 -9.853) 14.526 9.845 ( 7.417 6.580 7.177) 12.241 9.937 ( 1.270 1.138 4.868) 5.158 10.063 ( 5.679 -5.718 -1.407) 8.181 10.301 ( 3.831 -2.506 -1.488) 4.813 10.400 ( -3.867 -8.419 -3.006) 9.740 10.597 ( -2.508 0.311 -1.154) 2.778 10.882 ( -11.649 -1.210 6.994) 13.641 11.013 ( -4.957 -0.043 -1.417) 5.155 11.165 ( -0.466 1.655 0.551) 1.805 11.206 ( 1.666 1.354 -1.095) 2.409 11.536 ( 4.067 -6.850 4.648) 9.224 11.618 ( -0.604 -1.198 6.341) 6.481 11.660 ( -0.418 -1.445 -1.213) 1.932 11.874 ( 0.035 -1.638 -3.076) 3.485 12.012 ( -8.854 -1.645 3.307) 9.594 12.195 ( 1.259 -2.006 -0.023) 2.368 12.281 ( 1.582 -5.002 -2.819) 5.956 12.379 ( -8.285 -1.734 -8.247) 11.818 12.850 ( 1.816 -2.676 9.967) 10.479 13.263 ( 3.992 -7.618 -6.976) 11.074 14.877 ( 33.863 3.903 4.004) 34.322 15.109 ( 32.146 1.100 -6.963) 32.910 15.745 ( 1.703 -0.875 11.376) 11.536 16.100 ( -4.098 1.631 -1.705) 4.729 16.232 ( -7.152 -3.586 -2.002) 8.247 16.378 ( -8.334 -2.319 -1.969) 8.872 16.650 ( -1.796 -0.686 2.458) 3.121 16.769 ( 3.578 1.217 -2.925) 4.779 16.857 ( -2.036 -2.900 -0.933) 3.664 16.877 ( 1.189 -1.474 -0.538) 1.969 17.244 ( -13.704 1.849 0.168) 13.829 17.313 ( -17.228 -0.850 -3.951) 17.696 17.578 ( -17.460 0.443 9.262) 19.770 17.903 ( -0.782 1.460 -0.402) 1.705 17.922 ( 0.192 0.696 -0.551) 0.908 17.984 ( -20.834 -0.438 -8.394) 22.465 19.938 ( 2.170 2.049 4.567) 5.456 20.053 ( 3.746 -2.209 -0.620) 4.393 22.198 ( 2.376 6.849 7.384) 10.347 22.769 ( 4.178 3.485 -19.545) 20.289 23.525 ( 11.960 -0.521 11.419) 16.544 23.745 ( 10.148 -1.062 -0.422) 10.212 ======================= Grid point 119 (48/75) ======================= q-point: (-0.33 0.33 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.243 ( -0.000 12.384 2.086) 12.559 1.344 ( -0.000 21.921 8.538) 23.525 1.440 ( -0.000 3.207 -0.019) 3.207 1.683 ( -0.000 7.483 -2.354) 7.845 1.719 ( -0.000 0.918 -6.219) 6.286 1.813 ( -0.000 11.335 -14.080) 18.076 1.824 ( 0.000 -0.725 6.689) 6.728 2.181 ( 0.000 -1.064 -7.552) 7.627 2.407 ( 0.000 -0.507 12.148) 12.159 2.433 ( -0.000 17.205 5.504) 18.065 2.491 ( 0.000 -4.648 3.890) 6.061 2.612 ( -0.000 13.998 -1.985) 14.139 2.652 ( 0.000 -9.180 -4.580) 10.259 2.717 ( -0.000 7.698 1.848) 7.917 2.805 ( -0.000 6.579 1.932) 6.857 2.819 ( 0.000 -1.171 -2.595) 2.847 2.967 ( 0.000 -3.236 3.064) 4.456 2.995 ( -0.000 5.041 -2.608) 5.675 3.173 ( 0.000 -2.127 -5.463) 5.863 3.189 ( 0.000 -0.886 -3.537) 3.647 3.260 ( 0.000 -1.313 0.262) 1.339 3.363 ( 0.000 -7.968 0.188) 7.971 3.421 ( -0.000 0.782 3.403) 3.492 3.500 ( 0.000 -3.992 0.775) 4.066 3.503 ( -0.000 0.927 -0.688) 1.154 3.565 ( 0.000 -0.858 -1.158) 1.441 3.651 ( -0.000 1.214 1.910) 2.263 3.661 ( 0.000 -0.139 1.604) 1.610 3.692 ( -0.000 1.930 3.377) 3.890 3.781 ( -0.000 0.323 -3.651) 3.666 3.835 ( 0.000 -0.175 1.305) 1.317 3.923 ( 0.000 -2.492 -8.716) 9.065 3.999 ( 0.000 -8.813 5.091) 10.178 4.233 ( 0.000 -10.114 2.845) 10.506 4.273 ( 0.000 -5.345 -6.145) 8.145 4.428 ( 0.000 -8.982 1.028) 9.040 4.965 ( 0.000 -14.562 10.622) 18.025 5.120 ( -0.000 5.793 5.934) 8.293 5.399 ( 0.000 -3.313 -5.691) 6.585 5.625 ( 0.000 -1.709 -19.727) 19.801 6.165 ( -0.000 0.174 2.233) 2.239 6.224 ( -0.000 7.994 8.170) 11.430 6.276 ( -0.000 2.501 -2.306) 3.402 6.499 ( -0.000 4.471 11.401) 12.246 6.685 ( -0.000 2.676 -4.385) 5.137 6.914 ( -0.000 5.632 -5.588) 7.934 7.130 ( -0.000 3.106 3.404) 4.608 7.179 ( 0.000 -1.275 7.981) 8.082 7.333 ( -0.000 0.544 -3.684) 3.724 7.576 ( -0.000 0.664 -7.883) 7.911 7.646 ( -0.000 0.563 5.791) 5.819 7.967 ( -0.000 1.212 11.090) 11.156 8.049 ( 0.000 -3.330 -11.686) 12.152 8.433 ( -0.000 1.711 -8.350) 8.524 8.570 ( -0.000 3.326 6.102) 6.950 8.646 ( -0.000 2.113 0.256) 2.129 8.981 ( -0.000 1.649 5.155) 5.412 9.303 ( -0.000 4.741 -1.398) 4.943 9.330 ( -0.000 2.099 -9.546) 9.774 9.431 ( 0.000 -1.847 -1.904) 2.653 9.858 ( -0.000 9.204 8.669) 12.644 9.920 ( -0.000 2.783 9.213) 9.624 10.089 ( 0.000 -1.451 -3.497) 3.786 10.332 ( 0.000 -1.190 -10.859) 10.924 10.561 ( 0.000 -17.259 4.355) 17.800 10.666 ( 0.000 -7.118 3.674) 8.010 10.761 ( 0.000 -1.647 7.740) 7.913 10.961 ( 0.000 -1.271 -2.442) 2.753 11.152 ( -0.000 1.121 0.225) 1.143 11.217 ( -0.000 3.176 -1.700) 3.603 11.602 ( -0.000 0.157 4.087) 4.090 11.656 ( 0.000 -0.051 0.060) 0.078 11.666 ( 0.000 -10.194 5.785) 11.721 11.879 ( 0.000 -0.363 5.913) 5.924 11.941 ( 0.000 -4.955 -5.312) 7.264 12.236 ( 0.000 -3.514 1.102) 3.682 12.288 ( 0.000 -1.251 -9.230) 9.315 12.350 ( 0.000 -6.535 -3.513) 7.419 12.907 ( 0.000 -5.731 13.042) 14.246 13.392 ( 0.000 -12.227 -7.391) 14.287 15.223 ( -0.000 8.632 4.485) 9.728 15.466 ( -0.000 2.727 -7.009) 7.521 15.867 ( 0.000 -5.332 12.891) 13.950 15.964 ( -0.000 1.801 4.637) 4.975 16.217 ( -0.000 1.526 -6.765) 6.935 16.353 ( 0.000 -13.613 -9.476) 16.586 16.544 ( 0.000 -0.206 5.748) 5.752 16.778 ( 0.000 -0.182 -6.122) 6.125 16.829 ( 0.000 -2.080 1.147) 2.376 16.926 ( 0.000 -2.801 -3.007) 4.109 16.996 ( 0.000 -0.239 4.817) 4.823 17.127 ( 0.000 -0.182 -1.827) 1.836 17.422 ( -0.000 5.582 5.355) 7.735 17.723 ( -0.000 5.186 -8.042) 9.569 17.909 ( -0.000 1.416 0.419) 1.477 17.933 ( -0.000 1.016 -0.295) 1.058 19.941 ( -0.000 2.020 5.921) 6.257 20.106 ( 0.000 -1.846 -1.392) 2.311 22.149 ( -0.000 10.987 6.984) 13.019 22.774 ( -0.000 5.916 -23.285) 24.025 23.670 ( 0.000 -3.001 11.582) 11.964 23.866 ( 0.000 -2.593 1.167) 2.843 ======================= Grid point 126 (49/75) ======================= q-point: (-0.56 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.357 ( -2.653 -0.000 1.123) 2.881 1.596 ( -1.132 -0.000 -7.301) 7.388 1.621 ( -0.367 -0.000 9.422) 9.430 1.843 ( -1.264 -0.000 -1.852) 2.242 1.897 ( -2.870 -0.000 6.384) 6.999 1.945 ( -11.821 -0.000 4.332) 12.590 2.035 ( -10.448 -0.000 1.258) 10.523 2.185 ( -1.157 -0.000 -11.434) 11.492 2.306 ( -1.867 -0.000 -6.466) 6.730 2.347 ( 4.977 0.000 -5.832) 7.667 2.632 ( -2.513 -0.000 -1.083) 2.736 2.657 ( -0.863 -0.000 7.762) 7.810 2.674 ( -1.150 -0.000 7.436) 7.524 2.717 ( 0.526 0.000 3.641) 3.679 2.858 ( 2.697 0.000 2.491) 3.671 2.929 ( 2.015 0.000 -1.351) 2.426 3.097 ( -2.495 -0.000 -2.357) 3.432 3.102 ( 2.784 0.000 -4.028) 4.896 3.160 ( 0.207 0.000 -3.662) 3.668 3.162 ( -1.046 -0.000 -8.786) 8.848 3.175 ( -0.020 -0.000 -0.049) 0.053 3.259 ( -2.276 -0.000 -5.436) 5.893 3.372 ( 4.403 0.000 2.409) 5.019 3.414 ( 3.943 0.000 0.708) 4.006 3.544 ( 1.154 0.000 -0.553) 1.279 3.602 ( -3.586 -0.000 -2.093) 4.152 3.677 ( -11.799 -0.000 2.394) 12.039 3.737 ( -4.154 -0.000 1.251) 4.338 3.792 ( -6.486 -0.000 3.326) 7.289 3.837 ( -11.365 -0.000 -4.278) 12.144 3.939 ( -4.938 -0.000 5.894) 7.689 3.969 ( -1.036 -0.000 -3.473) 3.624 4.063 ( -15.907 -0.000 -3.383) 16.262 4.159 ( -11.991 -0.000 11.113) 16.349 4.224 ( -1.386 -0.000 -3.852) 4.094 4.369 ( -8.083 -0.000 3.548) 8.828 4.673 ( 3.201 0.000 12.315) 12.724 5.273 ( 2.588 0.000 -7.240) 7.689 5.342 ( -9.323 -0.000 2.092) 9.555 5.630 ( -3.806 -0.000 -16.921) 17.344 6.251 ( -8.226 -0.000 2.191) 8.513 6.352 ( 1.250 0.000 7.695) 7.796 6.355 ( -3.979 -0.000 -1.149) 4.141 6.458 ( 6.427 0.000 12.114) 13.714 6.702 ( 0.296 0.000 -4.162) 4.173 6.901 ( 8.179 0.000 -6.727) 10.590 7.165 ( 0.952 0.000 3.368) 3.500 7.270 ( -4.619 -0.000 6.365) 7.864 7.368 ( -8.723 -0.000 1.717) 8.891 7.675 ( -6.342 -0.000 -6.999) 9.445 7.703 ( -2.065 -0.000 4.903) 5.320 8.049 ( -9.132 -0.000 8.653) 12.581 8.147 ( -12.772 -0.000 -14.346) 19.208 8.423 ( 2.709 0.000 -3.428) 4.370 8.690 ( -6.388 -0.000 3.645) 7.354 8.717 ( -4.111 -0.000 0.533) 4.146 9.058 ( -5.463 -0.000 5.315) 7.621 9.277 ( 12.224 0.000 -4.922) 13.177 9.382 ( -0.588 -0.000 -2.561) 2.627 9.504 ( -10.491 -0.000 -10.173) 14.613 9.916 ( 4.790 0.000 9.538) 10.673 9.960 ( 7.602 0.000 3.800) 8.499 9.974 ( 8.320 0.000 -2.158) 8.595 10.291 ( -7.471 -0.000 9.141) 11.806 10.324 ( 0.541 0.000 -11.771) 11.783 10.601 ( -4.118 -0.000 -1.595) 4.416 10.870 ( -12.229 -0.000 7.675) 14.438 11.013 ( -6.442 -0.000 -1.380) 6.588 11.197 ( 1.921 0.000 -2.054) 2.812 11.207 ( 0.559 0.000 -0.748) 0.933 11.465 ( 4.449 0.000 7.772) 8.955 11.614 ( -0.824 -0.000 5.258) 5.322 11.646 ( 0.854 0.000 -2.155) 2.318 11.857 ( -0.658 -0.000 -4.426) 4.474 11.999 ( -9.802 -0.000 5.361) 11.172 12.179 ( 1.256 0.000 -0.274) 1.285 12.233 ( 1.715 0.000 -2.549) 3.072 12.366 ( -8.349 -0.000 -8.727) 12.078 12.828 ( 1.394 0.000 8.591) 8.704 13.198 ( 3.358 0.000 -6.429) 7.253 14.912 ( 35.876 0.000 3.223) 36.021 15.115 ( 31.469 0.000 -6.413) 32.115 15.736 ( 0.970 0.000 10.983) 11.026 16.133 ( 2.734 0.000 -7.070) 7.580 16.181 ( -14.272 -0.000 3.643) 14.729 16.363 ( -9.172 -0.000 -2.895) 9.618 16.645 ( -1.892 -0.000 3.325) 3.825 16.785 ( 3.758 0.000 -3.191) 4.930 16.827 ( -2.376 -0.000 -0.746) 2.491 16.864 ( 1.382 0.000 -0.868) 1.632 17.266 ( -12.099 -0.000 -0.358) 12.104 17.297 ( -22.502 -0.000 -2.922) 22.691 17.587 ( -12.847 -0.000 8.931) 15.647 17.917 ( 0.556 0.000 0.071) 0.560 17.928 ( 0.228 0.000 -0.502) 0.551 17.982 ( -19.405 -0.000 -8.752) 21.287 19.961 ( 1.840 0.000 3.423) 3.886 20.028 ( 4.431 0.000 0.210) 4.436 22.255 ( 2.731 0.000 7.236) 7.734 22.797 ( 4.208 0.000 -18.020) 18.505 23.520 ( 10.857 0.000 11.152) 15.564 23.735 ( 9.520 0.000 -0.625) 9.541 ======================= Grid point 128 (50/75) ======================= q-point: (-0.44 0.44 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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| 1.331 ( -0.000 0.815 0.225) 0.846 1.548 ( -0.000 7.765 0.406) 7.775 1.658 ( 0.000 -4.893 0.924) 4.980 1.686 ( -0.000 18.133 4.931) 18.792 1.821 ( -0.000 3.007 -2.697) 4.040 1.851 ( -0.000 3.849 7.052) 8.034 1.917 ( 0.000 -2.738 -4.523) 5.287 2.173 ( 0.000 -0.094 -11.817) 11.817 2.304 ( 0.000 -1.770 -0.603) 1.870 2.453 ( 0.000 -8.250 -5.158) 9.729 2.576 ( -0.000 3.902 0.726) 3.969 2.599 ( -0.000 5.393 9.569) 10.984 2.671 ( 0.000 -1.038 3.319) 3.478 2.752 ( 0.000 -5.728 4.782) 7.462 2.866 ( -0.000 5.285 1.843) 5.597 2.954 ( -0.000 0.577 -1.170) 1.304 3.028 ( -0.000 10.102 -8.719) 13.345 3.100 ( -0.000 8.195 -2.282) 8.507 3.142 ( 0.000 -1.238 -8.135) 8.229 3.162 ( 0.000 -3.483 -3.019) 4.610 3.196 ( 0.000 -4.517 -0.724) 4.574 3.256 ( 0.000 -1.930 -2.835) 3.430 3.433 ( -0.000 0.539 4.603) 4.635 3.459 ( 0.000 -1.159 2.748) 2.982 3.516 ( -0.000 0.488 0.909) 1.032 3.576 ( -0.000 0.567 -2.108) 2.183 3.637 ( 0.000 -0.908 1.723) 1.948 3.673 ( 0.000 -3.318 0.400) 3.342 3.675 ( -0.000 1.349 0.094) 1.352 3.779 ( 0.000 -0.563 -3.554) 3.599 3.864 ( -0.000 2.180 -0.718) 2.295 3.889 ( 0.000 -3.676 6.208) 7.215 3.944 ( -0.000 4.040 -1.290) 4.241 4.084 ( 0.000 -6.840 7.674) 10.280 4.205 ( 0.000 -2.314 -6.767) 7.152 4.319 ( 0.000 -4.099 5.591) 6.933 4.750 ( 0.000 -8.440 12.171) 14.811 5.216 ( -0.000 5.205 2.426) 5.743 5.333 ( 0.000 -4.239 -2.479) 4.911 5.588 ( 0.000 -1.720 -24.758) 24.817 6.168 ( -0.000 0.091 2.776) 2.778 6.306 ( -0.000 0.935 -2.908) 3.055 6.343 ( -0.000 5.004 7.978) 9.418 6.541 ( -0.000 0.776 15.452) 15.472 6.708 ( -0.000 0.342 -3.755) 3.771 6.994 ( -0.000 3.079 -5.663) 6.447 7.164 ( 0.000 -0.509 8.183) 8.199 7.170 ( -0.000 1.353 3.349) 3.612 7.331 ( 0.000 -0.456 -0.504) 0.680 7.586 ( -0.000 0.431 -9.293) 9.303 7.652 ( -0.000 0.198 5.473) 5.476 7.978 ( -0.000 0.229 6.746) 6.750 8.007 ( 0.000 -1.452 -10.810) 10.907 8.452 ( -0.000 0.574 -9.846) 9.863 8.610 ( -0.000 1.335 5.967) 6.115 8.671 ( -0.000 0.794 0.637) 1.018 9.000 ( -0.000 0.627 5.634) 5.669 9.355 ( -0.000 0.828 -8.849) 8.887 9.383 ( -0.000 2.636 -4.346) 5.083 9.418 ( -0.000 0.895 -4.844) 4.926 9.957 ( -0.000 1.334 7.609) 7.725 10.002 ( -0.000 7.247 3.042) 7.859 10.070 ( 0.000 -1.130 -1.539) 1.909 10.281 ( 0.000 -12.246 11.505) 16.802 10.316 ( 0.000 -0.635 -9.657) 9.678 10.606 ( 0.000 -1.658 3.361) 3.748 10.740 ( 0.000 -0.704 7.511) 7.544 10.946 ( 0.000 -0.522 -2.656) 2.706 11.192 ( -0.000 3.359 -1.190) 3.564 11.244 ( 0.000 -0.866 -4.230) 4.318 11.538 ( 0.000 -4.060 9.150) 10.010 11.604 ( -0.000 0.068 3.816) 3.817 11.656 ( 0.000 -0.022 0.035) 0.042 11.865 ( 0.000 -3.169 -5.453) 6.307 11.875 ( 0.000 -0.139 5.783) 5.784 12.197 ( 0.000 -1.064 0.060) 1.066 12.264 ( 0.000 -3.118 -2.794) 4.187 12.273 ( 0.000 -0.490 -9.039) 9.052 12.850 ( 0.000 -1.560 9.359) 9.488 13.252 ( 0.000 -4.336 -6.930) 8.175 15.344 ( -0.000 4.932 1.955) 5.306 15.485 ( 0.000 -0.177 -5.480) 5.483 15.807 ( 0.000 -1.947 10.507) 10.685 15.986 ( -0.000 0.733 4.555) 4.614 16.191 ( 0.000 -5.155 -6.907) 8.618 16.235 ( -0.000 0.608 -6.768) 6.795 16.542 ( 0.000 -0.082 5.815) 5.816 16.776 ( 0.000 -0.092 -6.140) 6.140 16.808 ( 0.000 -0.572 0.638) 0.857 16.897 ( 0.000 -0.844 -2.712) 2.840 16.993 ( 0.000 -0.098 4.852) 4.853 17.125 ( 0.000 -0.077 -1.834) 1.836 17.493 ( -0.000 2.411 4.986) 5.538 17.788 ( -0.000 2.202 -7.834) 8.138 17.924 ( -0.000 0.385 0.250) 0.459 17.943 ( -0.000 0.198 -0.319) 0.375 19.974 ( -0.000 1.407 4.357) 4.578 20.078 ( 0.000 -1.223 -0.379) 1.280 22.270 ( -0.000 3.612 6.687) 7.601 22.833 ( -0.000 1.608 -19.899) 19.963 23.636 ( 0.000 -1.058 11.859) 11.906 23.835 ( 0.000 -1.038 0.546) 1.173 ======================= Grid point 170 (51/75) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.963 ( 0.000 0.000 -24.220) 24.220 0.963 ( 0.000 0.000 24.220) 24.220 1.068 ( 0.000 0.000 -26.196) 26.196 1.068 ( 0.000 0.000 26.196) 26.196 1.518 ( 0.000 0.000 -27.578) 27.578 1.518 ( 0.000 0.000 27.578) 27.578 1.922 ( 0.000 0.000 -17.470) 17.470 1.922 ( 0.000 0.000 17.470) 17.470 2.168 ( 0.000 0.000 -5.796) 5.796 2.168 ( 0.000 0.000 5.796) 5.796 2.500 ( 0.000 0.000 -9.479) 9.479 2.500 ( 0.000 0.000 9.479) 9.479 2.517 ( 0.000 0.000 -13.003) 13.003 2.517 ( 0.000 0.000 13.003) 13.003 2.871 ( 0.000 0.000 -3.718) 3.718 2.871 ( 0.000 0.000 3.718) 3.718 3.126 ( 0.000 0.000 -4.915) 4.915 3.126 ( 0.000 0.000 4.915) 4.915 3.203 ( 0.000 0.000 -2.194) 2.194 3.203 ( 0.000 0.000 2.194) 2.194 3.351 ( 0.000 0.000 -2.911) 2.911 3.351 ( 0.000 0.000 2.911) 2.911 3.433 ( 0.000 0.000 -1.369) 1.369 3.433 ( 0.000 0.000 1.369) 1.369 3.502 ( 0.000 0.000 -2.345) 2.345 3.502 ( 0.000 0.000 2.345) 2.345 3.690 ( 0.000 0.000 -3.417) 3.417 3.690 ( 0.000 0.000 3.417) 3.417 3.705 ( 0.000 0.000 -0.629) 0.629 3.705 ( 0.000 0.000 0.629) 0.629 4.241 ( 0.000 0.000 -6.120) 6.120 4.241 ( 0.000 0.000 6.120) 6.120 4.400 ( 0.000 0.000 -0.187) 0.187 4.400 ( 0.000 0.000 0.187) 0.187 4.528 ( 0.000 0.000 -0.564) 0.564 4.528 ( 0.000 0.000 0.564) 0.564 5.216 ( 0.000 0.000 -14.242) 14.242 5.216 ( 0.000 0.000 14.242) 14.242 5.269 ( 0.000 0.000 -14.245) 14.245 5.269 ( 0.000 0.000 14.245) 14.245 6.163 ( 0.000 0.000 -0.006) 0.006 6.163 ( 0.000 0.000 0.006) 0.006 6.274 ( 0.000 0.000 -11.597) 11.597 6.274 ( 0.000 0.000 11.597) 11.597 6.620 ( 0.000 0.000 -11.897) 11.897 6.620 ( 0.000 0.000 11.897) 11.897 7.092 ( 0.000 0.000 -5.950) 5.950 7.092 ( 0.000 0.000 5.950) 5.950 7.395 ( 0.000 0.000 -9.635) 9.635 7.395 ( 0.000 0.000 9.635) 9.635 7.879 ( 0.000 0.000 -16.036) 16.036 7.879 ( 0.000 0.000 16.036) 16.036 8.115 ( 0.000 0.000 -11.048) 11.048 8.115 ( 0.000 0.000 11.048) 11.048 8.524 ( 0.000 0.000 -2.817) 2.817 8.524 ( 0.000 0.000 2.817) 2.817 9.034 ( 0.000 0.000 -9.344) 9.344 9.034 ( 0.000 0.000 9.344) 9.344 9.435 ( 0.000 0.000 -0.457) 0.457 9.435 ( 0.000 0.000 0.457) 0.457 10.013 ( 0.000 0.000 -3.076) 3.076 10.013 ( 0.000 0.000 3.076) 3.076 10.097 ( 0.000 0.000 -14.316) 14.316 10.097 ( 0.000 0.000 14.316) 14.316 10.946 ( 0.000 0.000 -4.907) 4.907 10.946 ( 0.000 0.000 4.907) 4.907 11.071 ( 0.000 0.000 -3.432) 3.432 11.071 ( 0.000 0.000 3.432) 3.432 11.263 ( 0.000 0.000 -6.711) 6.711 11.263 ( 0.000 0.000 6.711) 6.711 11.654 ( 0.000 0.000 -0.982) 0.982 11.654 ( 0.000 0.000 0.982) 0.982 11.980 ( 0.000 0.000 -1.876) 1.876 11.980 ( 0.000 0.000 1.876) 1.876 12.101 ( 0.000 0.000 -13.614) 13.614 12.101 ( 0.000 0.000 13.614) 13.614 12.446 ( 0.000 0.000 -7.124) 7.124 12.446 ( 0.000 0.000 7.124) 7.124 13.959 ( 0.000 0.000 -0.402) 0.402 13.959 ( 0.000 0.000 0.402) 0.402 15.032 ( 0.000 0.000 -4.813) 4.813 15.032 ( 0.000 0.000 4.813) 4.813 16.015 ( 0.000 0.000 -7.363) 7.363 16.015 ( 0.000 0.000 7.363) 7.363 16.666 ( 0.000 0.000 -6.179) 6.179 16.666 ( 0.000 0.000 6.179) 6.179 16.915 ( 0.000 0.000 -2.958) 2.958 16.915 ( 0.000 0.000 2.958) 2.958 16.964 ( 0.000 0.000 -0.426) 0.426 16.964 ( 0.000 0.000 0.426) 0.426 17.083 ( 0.000 0.000 -3.440) 3.440 17.083 ( 0.000 0.000 3.440) 3.440 17.565 ( 0.000 0.000 -2.960) 2.960 17.565 ( 0.000 0.000 2.960) 2.960 17.852 ( 0.000 0.000 -0.979) 0.979 17.852 ( 0.000 0.000 0.979) 0.979 20.171 ( 0.000 0.000 -0.412) 0.412 20.171 ( 0.000 0.000 0.412) 0.412 21.392 ( 0.000 0.000 -3.318) 3.318 21.392 ( 0.000 0.000 3.318) 3.318 23.935 ( 0.000 0.000 -1.134) 1.134 23.935 ( 0.000 0.000 1.134) 1.134 ======================= Grid point 172 (52/75) ======================= q-point: ( 0.11 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.139 ( 10.639 -0.901 -15.119) 18.509 1.139 ( 10.639 -0.901 15.119) 18.509 1.178 ( 11.637 -3.173 -14.094) 18.551 1.178 ( 11.637 -3.173 14.094) 18.551 1.686 ( 11.696 0.715 -13.562) 17.923 1.686 ( 11.696 0.715 13.562) 17.923 1.985 ( 7.253 -5.653 -19.713) 21.753 1.985 ( 7.253 -5.653 19.713) 21.753 2.125 ( -1.746 -0.691 -10.131) 10.303 2.125 ( -1.746 -0.691 10.131) 10.303 2.505 ( 1.460 -1.662 -5.072) 5.533 2.505 ( 1.460 -1.662 5.072) 5.533 2.608 ( 5.982 -1.595 -5.865) 8.528 2.608 ( 5.982 -1.595 5.865) 8.528 2.861 ( -0.773 1.415 -4.502) 4.782 2.861 ( -0.773 1.415 4.502) 4.782 3.033 ( -6.725 2.302 -4.507) 8.416 3.033 ( -6.725 2.302 4.507) 8.416 3.199 ( -0.989 0.232 -0.791) 1.287 3.199 ( -0.989 0.232 0.791) 1.287 3.338 ( -1.816 1.747 -2.779) 3.751 3.338 ( -1.816 1.747 2.779) 3.751 3.445 ( -3.229 -2.773 -3.426) 5.464 3.445 ( -3.229 -2.773 3.426) 5.464 3.499 ( -1.463 -2.168 -1.638) 3.086 3.499 ( -1.463 -2.168 1.638) 3.086 3.602 ( 7.157 0.395 -1.546) 7.333 3.602 ( 7.157 0.395 1.546) 7.333 3.915 ( 7.401 2.302 -1.576) 7.910 3.915 ( 7.401 2.302 1.576) 7.910 4.172 ( -0.579 3.443 -7.353) 8.140 4.172 ( -0.579 3.443 7.353) 8.140 4.462 ( 6.215 3.817 -0.790) 7.336 4.462 ( 6.215 3.817 0.790) 7.336 4.621 ( 8.345 -0.280 -3.634) 9.106 4.621 ( 8.345 -0.280 3.634) 9.106 5.157 ( -4.480 -1.193 -12.738) 13.556 5.157 ( -4.480 -1.193 12.738) 13.556 5.440 ( 13.250 -0.481 -13.792) 19.131 5.440 ( 13.250 -0.481 13.792) 19.131 6.198 ( 2.122 -1.204 -3.455) 4.230 6.198 ( 2.122 -1.204 3.455) 4.230 6.319 ( 5.455 -0.032 -6.176) 8.240 6.319 ( 5.455 -0.032 6.176) 8.240 6.617 ( 0.021 -0.099 -9.630) 9.630 6.617 ( 0.021 -0.099 9.630) 9.630 7.082 ( -1.244 -1.239 -5.158) 5.448 7.082 ( -1.244 -1.239 5.158) 5.448 7.512 ( 10.063 0.243 -9.879) 14.104 7.512 ( 10.063 0.243 9.879) 14.104 7.914 ( 2.493 0.442 -15.835) 16.036 7.914 ( 2.493 0.442 15.835) 16.036 8.136 ( 2.022 -2.218 -5.924) 6.641 8.136 ( 2.022 -2.218 5.924) 6.641 8.590 ( 5.182 -1.191 -0.678) 5.360 8.590 ( 5.182 -1.191 0.678) 5.360 9.097 ( 4.348 -0.656 -8.414) 9.493 9.097 ( 4.348 -0.656 8.414) 9.493 9.479 ( 5.346 0.375 -2.584) 5.949 9.479 ( 5.346 0.375 2.584) 5.949 9.997 ( -0.618 2.986 -3.309) 4.500 9.997 ( -0.618 2.986 3.309) 4.500 10.187 ( 8.166 0.054 -9.720) 12.695 10.187 ( 8.166 0.054 9.720) 12.695 10.803 ( -21.258 3.112 -3.308) 21.737 10.803 ( -21.258 3.112 3.308) 21.737 10.983 ( 1.625 -0.208 -4.016) 4.337 10.983 ( 1.625 -0.208 4.016) 4.337 11.232 ( 1.393 0.981 -2.280) 2.846 11.232 ( 1.393 0.981 2.280) 2.846 11.666 ( 1.128 0.095 -1.301) 1.725 11.666 ( 1.128 0.095 1.301) 1.725 11.963 ( -1.334 1.314 -0.931) 2.092 11.963 ( -1.334 1.314 0.931) 2.092 12.165 ( 4.105 0.115 -10.928) 11.674 12.165 ( 4.105 0.115 10.928) 11.674 12.468 ( 2.536 1.550 -7.701) 8.254 12.468 ( 2.536 1.550 7.701) 8.254 13.641 ( -22.039 7.430 -12.108) 26.220 13.641 ( -22.039 7.430 12.108) 26.220 14.725 ( -26.040 -3.851 -3.519) 26.557 14.725 ( -26.040 -3.851 3.519) 26.557 15.967 ( -2.349 -0.209 -10.899) 11.152 15.967 ( -2.349 -0.209 10.899) 11.152 16.605 ( -1.234 1.330 -3.798) 4.209 16.605 ( -1.234 1.330 3.798) 4.209 16.801 ( -5.884 4.891 -0.939) 7.708 16.801 ( -5.884 4.891 0.939) 7.708 16.989 ( 4.568 0.994 -4.487) 6.480 16.989 ( 4.568 0.994 4.487) 6.480 17.135 ( 4.721 -2.528 -1.627) 5.597 17.135 ( 4.721 -2.528 1.627) 5.597 17.841 ( -1.240 -0.757 -0.926) 1.723 17.841 ( -1.240 -0.757 0.926) 1.723 18.276 ( 51.585 15.400 -19.316) 57.195 18.276 ( 51.585 15.400 19.316) 57.195 20.138 ( -1.272 4.931 -1.200) 5.232 20.138 ( -1.272 4.931 1.200) 5.232 21.513 ( 2.992 -20.165 -3.222) 20.639 21.513 ( 2.992 -20.165 3.222) 20.639 23.715 ( -19.274 -0.234 -4.860) 19.879 23.715 ( -19.274 -0.234 4.860) 19.879 ======================= Grid point 174 (53/75) ======================= q-point: ( 0.22 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.382 ( 10.994 -2.937 -6.113) 12.918 1.382 ( 10.994 -2.937 6.113) 12.918 1.444 ( 12.512 -4.780 -4.244) 14.051 1.444 ( 12.512 -4.780 4.244) 14.051 1.795 ( 3.700 1.000 -8.677) 9.486 1.795 ( 3.700 1.000 8.677) 9.486 2.041 ( 0.236 1.281 -9.578) 9.666 2.041 ( 0.236 1.281 9.578) 9.666 2.419 ( 17.234 -4.661 -11.213) 21.082 2.419 ( 17.234 -4.661 11.213) 21.082 2.573 ( 4.179 -2.630 -1.432) 5.141 2.573 ( 4.179 -2.630 1.432) 5.141 2.735 ( 4.800 -1.759 -2.736) 5.798 2.735 ( 4.800 -1.759 2.736) 5.798 2.815 ( -2.846 -0.780 -4.028) 4.993 2.815 ( -2.846 -0.780 4.028) 4.993 2.892 ( -4.726 1.592 -1.998) 5.372 2.892 ( -4.726 1.592 1.998) 5.372 3.107 ( -8.327 -0.834 -2.993) 8.888 3.107 ( -8.327 -0.834 2.993) 8.888 3.280 ( 1.161 5.603 -0.934) 5.798 3.280 ( 1.161 5.603 0.934) 5.798 3.464 ( -3.273 -4.694 -2.122) 6.104 3.464 ( -3.273 -4.694 2.122) 6.104 3.475 ( -0.563 -4.775 -7.540) 8.942 3.475 ( -0.563 -4.775 7.540) 8.942 3.777 ( 7.775 1.165 -3.881) 8.768 3.777 ( 7.775 1.165 3.881) 8.768 3.914 ( 0.394 4.090 -2.180) 4.652 3.914 ( 0.394 4.090 2.180) 4.652 4.227 ( 4.428 1.078 -5.762) 7.346 4.227 ( 4.428 1.078 5.762) 7.346 4.571 ( 7.727 2.939 -1.897) 8.482 4.571 ( 7.727 2.939 1.897) 8.482 4.862 ( 18.972 5.309 -7.831) 21.200 4.862 ( 18.972 5.309 7.831) 21.200 5.067 ( -5.154 -1.532 -11.669) 12.848 5.067 ( -5.154 -1.532 11.669) 12.848 5.704 ( 13.174 1.069 -10.342) 16.783 5.704 ( 13.174 1.069 10.342) 16.783 6.245 ( 1.649 -1.677 -5.775) 6.236 6.245 ( 1.649 -1.677 5.775) 6.236 6.482 ( 10.765 0.484 -3.848) 11.443 6.482 ( 10.765 0.484 3.848) 11.443 6.643 ( 3.414 0.708 -2.961) 4.574 6.643 ( 3.414 0.708 2.961) 4.574 7.071 ( -1.555 -2.701 -4.464) 5.444 7.071 ( -1.555 -2.701 4.464) 5.444 7.641 ( 1.393 0.613 -10.601) 10.710 7.641 ( 1.393 0.613 10.601) 10.710 8.035 ( 12.032 -0.347 -13.667) 18.212 8.035 ( 12.032 -0.347 13.667) 18.212 8.192 ( -0.374 -4.332 -3.097) 5.339 8.192 ( -0.374 -4.332 3.097) 5.339 8.720 ( 6.542 -2.005 -0.353) 6.851 8.720 ( 6.542 -2.005 0.353) 6.851 9.117 ( -4.051 0.364 -1.212) 4.244 9.117 ( -4.051 0.364 1.212) 4.244 9.559 ( -4.895 -1.844 -3.466) 6.275 9.559 ( -4.895 -1.844 3.466) 6.275 9.912 ( 2.003 9.267 -11.025) 14.541 9.912 ( 2.003 9.267 11.025) 14.541 10.346 ( 7.577 4.101 -10.916) 13.906 10.346 ( 7.577 4.101 10.916) 13.906 10.544 ( 1.529 -3.515 -2.424) 4.535 10.544 ( 1.529 -3.515 2.424) 4.535 11.011 ( 0.681 -0.914 -3.648) 3.822 11.011 ( 0.681 -0.914 3.648) 3.822 11.324 ( 8.234 0.294 -3.538) 8.967 11.324 ( 8.234 0.294 3.538) 8.967 11.693 ( 1.987 0.671 -3.203) 3.829 11.693 ( 1.987 0.671 3.203) 3.829 11.906 ( -2.461 3.418 -1.356) 4.425 11.906 ( -2.461 3.418 1.356) 4.425 12.210 ( 0.977 0.389 -6.698) 6.780 12.210 ( 0.977 0.389 6.698) 6.780 12.483 ( -0.076 2.758 -8.184) 8.637 12.483 ( -0.076 2.758 8.184) 8.637 13.225 ( -14.469 4.304 -14.568) 20.978 13.225 ( -14.469 4.304 14.568) 20.978 14.239 ( -26.260 -3.084 -3.871) 26.722 14.239 ( -26.260 -3.084 3.871) 26.722 15.949 ( -0.022 0.345 -10.720) 10.725 15.949 ( -0.022 0.345 10.720) 10.725 16.524 ( -7.298 -0.243 -1.301) 7.417 16.524 ( -7.298 -0.243 1.301) 7.417 16.715 ( 0.562 2.782 -4.676) 5.470 16.715 ( 0.562 2.782 4.676) 5.470 17.086 ( 7.399 5.278 -4.668) 10.217 17.086 ( 7.399 5.278 4.668) 10.217 17.262 ( 4.969 -4.215 -2.536) 6.992 17.262 ( 4.969 -4.215 2.536) 6.992 17.813 ( -2.450 -1.379 -0.867) 2.943 17.813 ( -2.450 -1.379 0.867) 2.943 18.937 ( 32.076 19.557 -17.573) 41.475 18.937 ( 32.076 19.557 17.573) 41.475 20.043 ( -4.111 4.971 -1.460) 6.614 20.043 ( -4.111 4.971 1.460) 6.614 21.790 ( 6.763 -20.837 -9.997) 24.080 21.790 ( 6.763 -20.837 9.997) 24.080 23.333 ( -19.238 -1.674 -8.594) 21.136 23.333 ( -19.238 -1.674 8.594) 21.136 ======================= Grid point 176 (54/75) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.537 ( 4.318 -0.246 -6.273) 7.619 1.537 ( 4.318 -0.246 6.273) 7.619 1.728 ( 9.632 -4.211 -5.714) 11.964 1.728 ( 9.632 -4.211 5.714) 11.964 1.888 ( 6.518 -2.481 -6.052) 9.234 1.888 ( 6.518 -2.481 6.052) 9.234 2.095 ( 6.087 -0.883 -7.832) 9.959 2.095 ( 6.087 -0.883 7.832) 9.959 2.543 ( -0.461 1.726 -1.501) 2.333 2.543 ( -0.461 1.726 1.501) 2.333 2.659 ( 0.262 1.824 -2.007) 2.725 2.659 ( 0.262 1.824 2.007) 2.725 2.719 ( -4.037 -1.895 -3.467) 5.648 2.719 ( -4.037 -1.895 3.467) 5.648 2.786 ( -0.968 4.007 -2.194) 4.669 2.786 ( -0.968 4.007 2.194) 4.669 2.913 ( -3.592 0.630 -0.741) 3.721 2.913 ( -3.592 0.630 0.741) 3.721 3.006 ( 3.086 -4.294 -2.399) 5.807 3.006 ( 3.086 -4.294 2.399) 5.807 3.309 ( 2.728 -0.452 -2.237) 3.556 3.309 ( 2.728 -0.452 2.237) 3.556 3.396 ( -2.582 -1.103 -2.173) 3.551 3.396 ( -2.582 -1.103 2.173) 3.551 3.556 ( 2.514 -6.711 -4.185) 8.299 3.556 ( 2.514 -6.711 4.185) 8.299 3.791 ( -0.597 2.020 -1.534) 2.606 3.791 ( -0.597 2.020 1.534) 2.606 4.000 ( 5.815 -1.028 -5.198) 7.867 4.000 ( 5.815 -1.028 5.198) 7.867 4.256 ( 1.226 4.129 -3.747) 5.709 4.256 ( 1.226 4.129 3.747) 5.709 4.684 ( 4.767 0.144 -3.827) 6.115 4.684 ( 4.767 0.144 3.827) 6.115 4.914 ( -4.988 3.602 -7.882) 9.999 4.914 ( -4.988 3.602 7.882) 9.999 5.289 ( 19.778 0.026 -8.585) 21.561 5.289 ( 19.778 0.026 8.585) 21.561 5.912 ( 10.070 3.204 -5.440) 11.885 5.912 ( 10.070 3.204 5.440) 11.885 6.301 ( 3.671 -0.226 -2.594) 4.501 6.301 ( 3.671 -0.226 2.594) 4.501 6.674 ( 7.713 0.234 -6.738) 10.244 6.674 ( 7.713 0.234 6.738) 10.244 6.756 ( 9.969 1.898 -1.913) 10.327 6.756 ( 9.969 1.898 1.913) 10.327 7.072 ( -0.724 -4.086 -4.741) 6.301 7.072 ( -0.724 -4.086 4.741) 6.301 7.621 ( -0.969 -0.008 -7.869) 7.929 7.621 ( -0.969 -0.008 7.869) 7.929 8.157 ( -6.484 -4.855 -2.326) 8.427 8.157 ( -6.484 -4.855 2.326) 8.427 8.319 ( 12.869 -0.788 -8.623) 15.511 8.319 ( 12.869 -0.788 8.623) 15.511 8.802 ( -7.317 0.875 -6.200) 9.630 8.802 ( -7.317 0.875 6.200) 9.630 8.937 ( -4.777 -1.011 -6.248) 7.930 8.937 ( -4.777 -1.011 6.248) 7.930 9.369 ( -7.836 0.692 -6.334) 10.100 9.369 ( -7.836 0.692 6.334) 10.100 10.040 ( 12.181 3.767 -17.159) 21.377 10.040 ( 12.181 3.767 17.159) 21.377 10.418 ( 3.749 5.158 -18.964) 20.008 10.418 ( 3.749 5.158 18.964) 20.008 10.756 ( 11.687 -3.959 -5.315) 13.436 10.756 ( 11.687 -3.959 5.315) 13.436 11.056 ( 3.200 -2.315 -3.427) 5.229 11.056 ( 3.200 -2.315 3.427) 5.229 11.504 ( 8.525 -1.874 -5.852) 10.508 11.504 ( 8.525 -1.874 5.852) 10.508 11.724 ( 2.745 4.428 -5.299) 7.431 11.724 ( 2.745 4.428 5.299) 7.431 11.831 ( -1.370 2.622 -3.130) 4.308 11.831 ( -1.370 2.622 3.130) 4.308 12.208 ( -0.195 1.243 -2.842) 3.109 12.208 ( -0.195 1.243 2.842) 3.109 12.407 ( -5.475 2.074 -6.647) 8.858 12.407 ( -5.475 2.074 6.647) 8.858 12.989 ( -8.723 1.503 -8.680) 12.397 12.989 ( -8.723 1.503 8.680) 12.397 13.806 ( -19.265 -1.068 -4.026) 19.710 13.806 ( -19.265 -1.068 4.026) 19.710 15.944 ( -0.151 0.675 -7.392) 7.424 15.944 ( -0.151 0.675 7.392) 7.424 16.389 ( -6.045 -0.532 -0.468) 6.086 16.389 ( -6.045 -0.532 0.468) 6.086 16.730 ( 1.498 0.079 -4.593) 4.831 16.730 ( 1.498 0.079 4.593) 4.831 17.181 ( 6.863 4.217 -2.891) 8.558 17.181 ( 6.863 4.217 2.891) 8.558 17.364 ( 2.259 -1.810 -3.469) 4.518 17.364 ( 2.259 -1.810 3.469) 4.518 17.774 ( -2.729 -1.497 -0.579) 3.166 17.774 ( -2.729 -1.497 0.579) 3.166 19.254 ( 16.477 12.763 -10.889) 23.515 19.254 ( 16.477 12.763 10.889) 23.515 19.910 ( -5.956 2.632 -1.254) 6.631 19.910 ( -5.956 2.632 1.254) 6.631 22.089 ( 9.276 -12.813 -11.156) 19.356 22.089 ( 9.276 -12.813 11.156) 19.356 23.023 ( -14.385 -1.132 -8.459) 16.726 23.023 ( -14.385 -1.132 8.459) 16.726 ======================= Grid point 178 (55/75) ======================= q-point: ( 0.44 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.583 ( 1.093 0.444 -1.982) 2.307 1.583 ( 1.093 0.444 1.982) 2.307 1.827 ( 1.019 -0.800 -2.408) 2.734 1.827 ( 1.019 -0.800 2.408) 2.734 2.070 ( 6.160 -2.671 -1.643) 6.913 2.070 ( 6.160 -2.671 1.643) 6.913 2.262 ( 8.180 -1.584 -4.932) 9.683 2.262 ( 8.180 -1.584 4.932) 9.683 2.470 ( -5.044 0.663 -4.396) 6.724 2.470 ( -5.044 0.663 4.396) 6.724 2.600 ( -2.977 2.011 -0.241) 3.600 2.600 ( -2.977 2.011 0.241) 3.600 2.674 ( -1.200 -2.109 -1.372) 2.788 2.674 ( -1.200 -2.109 1.372) 2.788 2.725 ( -2.128 3.933 -2.132) 4.954 2.725 ( -2.128 3.933 2.132) 4.954 2.843 ( -0.713 0.492 -0.147) 0.879 2.843 ( -0.713 0.492 0.147) 0.879 3.085 ( 1.449 -0.938 -0.911) 1.951 3.085 ( 1.449 -0.938 0.911) 1.951 3.273 ( -3.096 -1.015 -0.654) 3.323 3.273 ( -3.096 -1.015 0.654) 3.323 3.448 ( 2.587 0.154 -1.536) 3.013 3.448 ( 2.587 0.154 1.536) 3.013 3.668 ( 3.163 -3.102 -2.911) 5.301 3.668 ( 3.163 -3.102 2.911) 5.301 3.783 ( 0.169 -0.244 -2.201) 2.221 3.783 ( 0.169 -0.244 2.201) 2.221 4.096 ( 2.917 -1.674 -4.597) 5.696 4.096 ( 2.917 -1.674 4.597) 5.696 4.223 ( -1.046 2.957 -3.724) 4.869 4.223 ( -1.046 2.957 3.724) 4.869 4.741 ( -0.195 -3.163 -5.459) 6.312 4.741 ( -0.195 -3.163 5.459) 6.312 4.806 ( -1.116 5.119 -6.210) 8.125 4.806 ( -1.116 5.119 6.210) 8.125 5.558 ( 6.459 -1.469 -3.558) 7.519 5.558 ( 6.459 -1.469 3.558) 7.519 6.019 ( 3.354 2.408 -1.925) 4.556 6.019 ( 3.354 2.408 1.925) 4.556 6.379 ( 3.439 0.731 -0.258) 3.525 6.379 ( 3.439 0.731 0.258) 3.525 6.793 ( 4.761 -0.793 -2.858) 5.609 6.793 ( 4.761 -0.793 2.858) 5.609 6.877 ( 1.559 2.314 -3.644) 4.590 6.877 ( 1.559 2.314 3.644) 4.590 7.165 ( 6.354 -2.774 -3.299) 7.678 7.165 ( 6.354 -2.774 3.299) 7.678 7.668 ( 7.901 0.027 -1.379) 8.020 7.668 ( 7.901 0.027 1.379) 8.020 7.951 ( -17.803 -2.363 -2.522) 18.135 7.951 ( -17.803 -2.363 2.522) 18.135 8.443 ( -1.587 0.708 -1.769) 2.480 8.443 ( -1.587 0.708 1.769) 2.480 8.630 ( 0.313 -0.293 -6.032) 6.047 8.630 ( 0.313 -0.293 6.032) 6.047 8.985 ( 2.020 -0.873 -0.907) 2.380 8.985 ( 2.020 -0.873 0.907) 2.380 9.268 ( -2.470 0.831 -4.787) 5.451 9.268 ( -2.470 0.831 4.787) 5.451 10.240 ( 8.922 -1.013 -17.912) 20.037 10.240 ( 8.922 -1.013 17.912) 20.037 10.384 ( -3.254 3.965 -18.359) 19.062 10.384 ( -3.254 3.965 18.359) 19.062 10.954 ( 5.136 -1.189 -2.043) 5.654 10.954 ( 5.136 -1.189 2.043) 5.654 11.153 ( 3.233 -2.228 -2.753) 4.795 11.153 ( 3.233 -2.228 2.753) 4.795 11.629 ( 0.664 -3.797 -7.221) 8.185 11.629 ( 0.664 -3.797 7.221) 8.185 11.706 ( 2.292 6.700 -5.899) 9.216 11.706 ( 2.292 6.700 5.899) 9.216 11.861 ( 3.632 -0.099 -2.490) 4.405 11.861 ( 3.632 -0.099 2.490) 4.405 12.196 ( 0.827 1.717 -3.222) 3.744 12.196 ( 0.827 1.717 3.222) 3.744 12.268 ( -6.696 -0.153 -4.943) 8.325 12.268 ( -6.696 -0.153 4.943) 8.325 12.853 ( -4.010 0.273 -2.845) 4.925 12.853 ( -4.010 0.273 2.845) 4.925 13.554 ( -6.787 -0.003 -1.652) 6.986 13.554 ( -6.787 -0.003 1.652) 6.986 15.934 ( -0.305 0.316 -2.531) 2.568 15.934 ( -0.305 0.316 2.531) 2.568 16.315 ( -1.981 -0.278 -0.195) 2.010 16.315 ( -1.981 -0.278 0.195) 2.010 16.756 ( 0.687 -0.377 -1.817) 1.979 16.756 ( 0.687 -0.377 1.817) 1.979 17.283 ( 6.055 1.822 -0.714) 6.363 17.283 ( 6.055 1.822 0.714) 6.363 17.366 ( -2.866 -0.519 -1.884) 3.469 17.366 ( -2.866 -0.519 1.884) 3.469 17.743 ( -1.178 -0.728 -0.191) 1.397 17.743 ( -1.178 -0.728 0.191) 1.397 19.398 ( 5.994 4.373 -4.311) 8.581 19.398 ( 5.994 4.373 4.311) 8.581 19.796 ( -3.627 0.561 -1.206) 3.864 19.796 ( -3.627 0.561 1.206) 3.864 22.335 ( 7.144 -4.909 -6.960) 11.116 22.335 ( 7.144 -4.909 6.960) 11.116 22.798 ( -8.240 0.435 -5.792) 10.082 22.798 ( -8.240 0.435 5.792) 10.082 ======================= Grid point 190 (56/75) ======================= q-point: ( 0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.354 ( 10.985 0.000 -11.890) 16.188 1.354 ( 10.985 0.000 11.890) 16.188 1.409 ( 14.051 0.000 -10.718) 17.672 1.409 ( 14.051 0.000 10.718) 17.672 1.807 ( 1.849 0.000 -7.866) 8.080 1.807 ( 1.849 0.000 7.866) 8.080 2.057 ( -0.384 -0.000 -9.887) 9.894 2.057 ( -0.384 -0.000 9.887) 9.894 2.366 ( 24.589 0.000 -17.580) 30.227 2.366 ( 24.589 0.000 17.580) 30.227 2.552 ( 3.221 0.000 -2.467) 4.057 2.552 ( 3.221 0.000 2.467) 4.057 2.719 ( 5.009 0.000 -0.608) 5.046 2.719 ( 5.009 0.000 0.608) 5.046 2.811 ( -4.161 -0.000 -4.135) 5.866 2.811 ( -4.161 -0.000 4.135) 5.866 2.905 ( -5.217 -0.000 -1.169) 5.346 2.905 ( -5.217 -0.000 1.169) 5.346 3.104 ( -7.435 -0.000 -3.526) 8.229 3.104 ( -7.435 -0.000 3.526) 8.229 3.359 ( -1.792 -0.000 -2.194) 2.833 3.359 ( -1.792 -0.000 2.194) 2.833 3.384 ( 1.036 0.000 -1.428) 1.765 3.384 ( 1.036 0.000 1.428) 1.765 3.439 ( -3.607 -0.000 -2.487) 4.381 3.439 ( -3.607 -0.000 2.487) 4.381 3.784 ( 8.498 0.000 -5.252) 9.990 3.784 ( 8.498 0.000 5.252) 9.990 3.957 ( -2.336 -0.000 -1.016) 2.547 3.957 ( -2.336 -0.000 1.016) 2.547 4.233 ( 5.915 0.000 -5.599) 8.145 4.233 ( 5.915 0.000 5.599) 8.145 4.599 ( 6.138 0.000 -1.086) 6.234 4.599 ( 6.138 0.000 1.086) 6.234 4.906 ( 19.422 0.000 -8.937) 21.379 4.906 ( 19.422 0.000 8.937) 21.379 5.051 ( -5.612 -0.000 -11.732) 13.005 5.051 ( -5.612 -0.000 11.732) 13.005 5.713 ( 13.703 0.000 -10.943) 17.537 5.713 ( 13.703 0.000 10.943) 17.537 6.229 ( 2.372 0.000 -6.517) 6.935 6.229 ( 2.372 0.000 6.517) 6.935 6.487 ( 10.650 0.000 -3.881) 11.335 6.487 ( 10.650 0.000 3.881) 11.335 6.654 ( 4.151 0.000 -3.733) 5.583 6.654 ( 4.151 0.000 3.733) 5.583 7.047 ( -1.847 -0.000 -4.220) 4.607 7.047 ( -1.847 -0.000 4.220) 4.607 7.649 ( 1.392 0.000 -10.824) 10.914 7.649 ( 1.392 0.000 10.824) 10.914 8.031 ( 12.052 0.000 -12.737) 17.536 8.031 ( 12.052 0.000 12.737) 17.536 8.153 ( -0.858 -0.000 -3.653) 3.753 8.153 ( -0.858 -0.000 3.653) 3.753 8.702 ( 6.854 0.000 -0.629) 6.883 8.702 ( 6.854 0.000 0.629) 6.883 9.119 ( -3.491 -0.000 -0.817) 3.585 9.119 ( -3.491 -0.000 0.817) 3.585 9.544 ( -4.488 -0.000 -3.601) 5.754 9.544 ( -4.488 -0.000 3.601) 5.754 9.999 ( 1.142 0.000 -11.709) 11.765 9.999 ( 1.142 0.000 11.709) 11.765 10.398 ( 13.074 0.000 -2.943) 13.401 10.398 ( 13.074 0.000 2.943) 13.401 10.495 ( -5.300 -0.000 -7.000) 8.780 10.495 ( -5.300 -0.000 7.000) 8.780 11.003 ( 0.326 0.000 -4.150) 4.163 11.003 ( 0.326 0.000 4.150) 4.163 11.327 ( 7.633 0.000 -0.102) 7.634 11.327 ( 7.633 0.000 0.102) 7.634 11.697 ( 2.095 0.000 -2.790) 3.489 11.697 ( 2.095 0.000 2.790) 3.489 11.937 ( -2.054 -0.000 -1.974) 2.849 11.937 ( -2.054 -0.000 1.974) 2.849 12.213 ( 1.111 0.000 -7.985) 8.062 12.213 ( 1.111 0.000 7.985) 8.062 12.507 ( -0.352 -0.000 -8.892) 8.899 12.507 ( -0.352 -0.000 8.892) 8.899 13.264 ( -17.038 -0.000 -14.922) 22.648 13.264 ( -17.038 -0.000 14.922) 22.648 14.210 ( -24.940 -0.000 -2.156) 25.033 14.210 ( -24.940 -0.000 2.156) 25.033 15.952 ( 0.216 0.000 -11.079) 11.081 15.952 ( 0.216 0.000 11.079) 11.081 16.521 ( -7.501 -0.000 -1.241) 7.603 16.521 ( -7.501 -0.000 1.241) 7.603 16.741 ( -1.407 -0.000 -4.092) 4.327 16.741 ( -1.407 -0.000 4.092) 4.327 17.146 ( 7.285 0.000 -5.292) 9.004 17.146 ( 7.285 0.000 5.292) 9.004 17.211 ( 5.896 0.000 -4.658) 7.514 17.211 ( 5.896 0.000 4.658) 7.514 17.801 ( -2.393 -0.000 -0.969) 2.582 17.801 ( -2.393 -0.000 0.969) 2.582 19.129 ( 27.631 0.000 -21.152) 34.798 19.129 ( 27.631 0.000 21.152) 34.798 20.106 ( -5.164 -0.000 -3.896) 6.469 20.106 ( -5.164 -0.000 3.896) 6.469 21.571 ( 12.136 0.000 -6.594) 13.811 21.571 ( 12.136 0.000 6.594) 13.811 23.318 ( -19.198 -0.000 -8.806) 21.121 23.318 ( -19.198 -0.000 8.806) 21.121 ======================= Grid point 192 (57/75) ======================= q-point: ( 0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 7.456 0.511 -8.263) 11.141 1.543 ( 7.456 0.511 8.263) 11.141 1.669 ( 10.266 -2.169 -3.887) 11.189 1.669 ( 10.266 -2.169 3.887) 11.189 1.862 ( 5.223 -0.731 -6.669) 8.502 1.862 ( 5.223 -0.731 6.669) 8.502 2.097 ( 5.656 0.515 -6.377) 8.539 2.097 ( 5.656 0.515 6.377) 8.539 2.565 ( -2.233 0.773 -0.992) 2.562 2.565 ( -2.232 0.773 0.992) 2.562 2.681 ( -0.316 -0.039 -1.478) 1.512 2.681 ( -0.316 -0.039 1.478) 1.512 2.695 ( -0.142 0.197 -3.290) 3.299 2.695 ( -0.142 0.197 3.290) 3.299 2.845 ( 1.625 2.529 -2.628) 3.993 2.845 ( 1.625 2.529 2.628) 3.993 2.901 ( 6.225 -2.901 -2.960) 7.479 2.901 ( 6.225 -2.901 2.960) 7.479 2.967 ( -3.796 0.617 -3.215) 5.012 2.967 ( -3.796 0.617 3.215) 5.012 3.304 ( -2.965 0.034 -2.791) 4.072 3.304 ( -2.965 0.034 2.791) 4.072 3.370 ( -1.207 -1.985 -5.004) 5.518 3.370 ( -1.207 -1.985 5.004) 5.518 3.459 ( 3.904 -3.214 -2.494) 5.638 3.459 ( 3.904 -3.214 2.494) 5.638 3.816 ( -3.088 0.700 -4.005) 5.105 3.816 ( -3.088 0.700 4.005) 5.105 3.997 ( 5.929 0.307 -1.695) 6.175 3.997 ( 5.929 0.307 1.695) 6.175 4.315 ( 2.250 2.207 -3.060) 4.393 4.315 ( 2.250 2.207 3.060) 4.393 4.684 ( 2.121 -0.162 -4.701) 5.160 4.684 ( 2.121 -0.162 4.701) 5.160 4.951 ( -3.420 1.079 -9.979) 10.603 4.951 ( -3.420 1.079 9.979) 10.603 5.288 ( 17.071 -0.116 -6.541) 18.282 5.288 ( 17.071 -0.116 6.541) 18.282 5.949 ( 10.955 1.171 -6.507) 12.796 5.949 ( 10.955 1.171 6.507) 12.796 6.300 ( 4.966 -0.048 -5.644) 7.518 6.300 ( 4.966 -0.048 5.644) 7.518 6.682 ( 8.440 0.481 -7.449) 11.267 6.682 ( 8.440 0.481 7.449) 11.267 6.785 ( 10.239 1.243 -0.169) 10.315 6.785 ( 10.239 1.243 0.169) 10.315 7.016 ( -1.622 -2.129 -4.649) 5.365 7.016 ( -1.622 -2.129 4.649) 5.365 7.630 ( -0.719 0.632 -7.867) 7.925 7.630 ( -0.719 0.632 7.867) 7.925 8.091 ( -6.528 -2.425 -4.725) 8.415 8.091 ( -6.528 -2.425 4.725) 8.415 8.310 ( 13.833 -0.319 -9.079) 16.550 8.310 ( 13.833 -0.319 9.079) 16.550 8.807 ( -2.849 -0.059 -3.646) 4.627 8.807 ( -2.849 -0.059 3.646) 4.627 8.926 ( -9.079 -0.293 -8.510) 12.447 8.926 ( -9.079 -0.293 8.510) 12.447 9.381 ( -6.629 0.486 -7.008) 9.659 9.381 ( -6.629 0.486 7.008) 9.659 10.092 ( 7.514 1.914 -20.102) 21.546 10.092 ( 7.514 1.914 20.102) 21.546 10.497 ( 3.224 3.564 -13.740) 14.556 10.497 ( 3.224 3.564 13.740) 14.556 10.694 ( 14.029 -2.977 -4.410) 15.004 10.694 ( 14.029 -2.977 4.410) 15.004 11.025 ( 2.175 -1.160 -4.718) 5.323 11.025 ( 2.175 -1.160 4.718) 5.323 11.481 ( 6.596 -0.724 -2.602) 7.127 11.481 ( 6.596 -0.724 2.602) 7.127 11.753 ( 4.115 0.276 -6.190) 7.438 11.753 ( 4.115 0.276 6.190) 7.438 11.888 ( -1.668 2.505 -5.814) 6.547 11.888 ( -1.668 2.505 5.814) 6.547 12.220 ( -0.178 0.240 -4.819) 4.829 12.220 ( -0.178 0.240 4.819) 4.829 12.435 ( -6.363 1.051 -6.935) 9.471 12.435 ( -6.363 1.051 6.935) 9.471 13.005 ( -10.213 0.514 -8.924) 13.572 13.005 ( -10.213 0.514 8.924) 13.572 13.789 ( -18.267 -0.724 -2.682) 18.477 13.789 ( -18.267 -0.724 2.682) 18.477 15.954 ( -0.211 0.329 -8.121) 8.131 15.954 ( -0.211 0.329 8.121) 8.131 16.384 ( -5.820 -0.154 -0.327) 5.832 16.384 ( -5.820 -0.154 0.327) 5.832 16.733 ( 0.476 0.149 -4.287) 4.316 16.733 ( 0.476 0.149 4.287) 4.316 17.225 ( 3.600 1.069 -1.193) 3.940 17.225 ( 3.600 1.069 1.193) 3.940 17.347 ( 5.016 -0.284 -6.734) 8.401 17.347 ( 5.016 -0.284 6.734) 8.401 17.756 ( -2.234 -0.561 -0.922) 2.481 17.756 ( -2.234 -0.561 0.922) 2.481 19.437 ( 10.683 6.982 -11.616) 17.257 19.437 ( 10.683 6.982 11.616) 17.257 19.951 ( -8.922 1.791 -4.118) 9.988 19.951 ( -8.922 1.791 4.118) 9.988 21.900 ( 16.018 -7.489 -9.731) 20.183 21.900 ( 16.018 -7.489 9.731) 20.183 23.010 ( -13.106 -0.381 -8.836) 15.811 23.010 ( -13.106 -0.381 8.836) 15.811 ======================= Grid point 194 (58/75) ======================= q-point: ( 0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 1.849 2.689 -3.673) 4.913 1.612 ( 1.849 2.689 3.673) 4.913 1.795 ( 1.727 -2.750 -2.428) 4.054 1.795 ( 1.727 -2.750 2.428) 4.054 2.031 ( 8.745 -1.766 -1.647) 9.072 2.031 ( 8.745 -1.766 1.647) 9.072 2.258 ( 9.810 0.771 -1.876) 10.018 2.258 ( 9.810 0.771 1.876) 10.018 2.476 ( -5.206 0.130 -3.999) 6.566 2.476 ( -5.206 0.130 3.999) 6.566 2.592 ( -6.311 -1.557 -1.137) 6.598 2.592 ( -6.311 -1.557 1.137) 6.598 2.673 ( -1.628 0.710 -0.672) 1.899 2.673 ( -1.628 0.710 0.672) 1.899 2.820 ( -0.505 6.728 -1.797) 6.982 2.820 ( -0.505 6.728 1.797) 6.982 2.867 ( -0.978 2.387 -0.227) 2.589 2.867 ( -0.978 2.387 0.227) 2.589 3.056 ( 2.487 -3.233 -1.692) 4.416 3.056 ( 2.487 -3.233 1.692) 4.416 3.243 ( -2.385 -1.518 -2.838) 4.006 3.243 ( -2.385 -1.518 2.838) 4.006 3.419 ( 0.527 -3.947 -1.246) 4.173 3.419 ( 0.527 -3.947 1.246) 4.173 3.611 ( 7.694 -1.840 -4.437) 9.070 3.611 ( 7.694 -1.840 4.437) 9.070 3.770 ( -0.945 -1.869 -2.299) 3.110 3.770 ( -0.945 -1.869 2.299) 3.110 4.086 ( 3.127 0.739 -2.771) 4.243 4.086 ( 3.127 0.739 2.771) 4.243 4.281 ( -2.609 3.137 -4.176) 5.839 4.281 ( -2.609 3.137 4.176) 5.839 4.691 ( -1.462 -2.468 -5.691) 6.373 4.691 ( -1.462 -2.468 5.691) 6.373 4.896 ( -0.607 4.688 -7.035) 8.476 4.896 ( -0.607 4.688 7.035) 8.476 5.517 ( 5.744 -2.843 -3.022) 7.086 5.517 ( 5.744 -2.843 3.022) 7.086 6.060 ( 1.272 2.089 -1.881) 3.086 6.060 ( 1.272 2.089 1.881) 3.086 6.401 ( 3.964 1.246 -1.657) 4.473 6.401 ( 3.964 1.246 1.657) 4.473 6.783 ( 2.973 0.146 -3.039) 4.254 6.783 ( 2.973 0.146 3.039) 4.254 6.900 ( -0.895 0.118 -3.421) 3.538 6.900 ( -0.895 0.118 3.421) 3.538 7.135 ( 12.269 -0.872 -0.516) 12.310 7.135 ( 12.269 -0.872 0.516) 12.310 7.673 ( 7.377 0.592 -0.333) 7.408 7.673 ( 7.377 0.592 0.333) 7.408 7.910 ( -14.491 -2.368 -5.128) 15.552 7.910 ( -14.491 -2.368 5.128) 15.552 8.453 ( -1.839 0.386 -3.199) 3.710 8.453 ( -1.839 0.386 3.199) 3.710 8.627 ( -0.461 -0.146 -5.801) 5.821 8.627 ( -0.461 -0.146 5.801) 5.821 8.969 ( 3.091 -0.888 -1.390) 3.504 8.969 ( 3.091 -0.888 1.390) 3.504 9.288 ( -2.886 1.219 -7.367) 8.005 9.288 ( -2.886 1.219 7.367) 8.005 10.210 ( 4.043 -1.681 -20.878) 21.333 10.210 ( 4.043 -1.681 20.878) 21.333 10.468 ( -2.556 4.909 -14.499) 15.520 10.468 ( -2.556 4.909 14.499) 15.520 10.938 ( 8.058 -0.571 -2.284) 8.395 10.938 ( 8.058 -0.571 2.284) 8.395 11.105 ( 3.717 -3.289 -5.862) 7.681 11.105 ( 3.717 -3.289 5.862) 7.681 11.547 ( -1.936 -3.844 -6.107) 7.472 11.547 ( -1.936 -3.844 6.107) 7.472 11.830 ( 2.457 5.381 -5.465) 8.053 11.830 ( 2.457 5.381 5.465) 8.053 11.863 ( 2.993 0.702 -4.012) 5.054 11.863 ( 2.993 0.702 4.012) 5.054 12.208 ( -1.116 -0.075 -2.861) 3.072 12.208 ( -1.116 -0.075 2.861) 3.072 12.279 ( -6.864 1.139 -1.893) 7.210 12.279 ( -6.864 1.139 1.893) 7.210 12.855 ( -4.596 0.027 -2.766) 5.364 12.855 ( -4.596 0.027 2.766) 5.364 13.546 ( -7.071 -0.711 -0.614) 7.134 13.546 ( -7.071 -0.711 0.614) 7.134 15.939 ( -0.748 0.275 -3.326) 3.420 15.939 ( -0.748 0.275 3.326) 3.420 16.315 ( -1.291 0.191 -0.554) 1.418 16.315 ( -1.291 0.191 0.554) 1.418 16.750 ( 0.990 -0.245 -1.661) 1.949 16.750 ( 0.990 -0.245 1.661) 1.949 17.288 ( 2.589 -0.633 -1.121) 2.891 17.288 ( 2.589 -0.633 1.121) 2.891 17.370 ( -1.835 0.643 -3.072) 3.636 17.370 ( -1.835 0.643 3.072) 3.636 17.739 ( 0.373 0.088 -0.945) 1.019 17.739 ( 0.373 0.088 0.945) 1.019 19.495 ( 1.188 6.473 -3.590) 7.496 19.495 ( 1.188 6.473 3.590) 7.496 19.787 ( -6.296 -1.538 -4.253) 7.752 19.787 ( -6.296 -1.538 4.253) 7.752 22.243 ( 12.706 -5.187 -8.459) 16.122 22.243 ( 12.706 -5.187 8.459) 16.122 22.811 ( -6.969 0.858 -7.969) 10.621 22.811 ( -6.969 0.858 7.969) 10.621 ======================= Grid point 196 (59/75) ======================= q-point: (-0.56 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.599 ( -0.698 2.127 -2.888) 3.654 1.599 ( -0.698 2.127 2.888) 3.654 1.822 ( -0.408 -1.245 -3.747) 3.970 1.822 ( -0.408 -1.245 3.747) 3.970 2.116 ( -1.644 2.615 -2.814) 4.178 2.116 ( -1.644 2.615 2.814) 4.178 2.302 ( -6.080 2.624 -5.308) 8.487 2.302 ( -6.080 2.624 5.308) 8.487 2.455 ( 3.709 -0.967 -3.001) 4.868 2.455 ( 3.709 -0.967 3.001) 4.868 2.548 ( 0.859 -3.213 -1.113) 3.507 2.548 ( 0.859 -3.213 1.113) 3.507 2.666 ( 1.086 -1.375 -1.291) 2.177 2.666 ( 1.086 -1.375 1.291) 2.177 2.762 ( 1.375 5.778 -0.954) 6.016 2.762 ( 1.375 5.778 0.954) 6.016 2.848 ( 0.601 1.209 -0.430) 1.418 2.848 ( 0.601 1.209 0.430) 1.418 3.092 ( 0.146 -0.355 -0.309) 0.493 3.092 ( 0.146 -0.355 0.309) 0.493 3.264 ( 2.707 -1.922 -1.985) 3.868 3.264 ( 2.707 -1.922 1.985) 3.868 3.424 ( -2.917 -2.920 -0.731) 4.192 3.424 ( -2.917 -2.920 0.731) 4.192 3.666 ( -1.740 -0.948 -2.586) 3.258 3.666 ( -1.740 -0.948 2.586) 3.258 3.816 ( 2.182 1.942 -2.369) 3.761 3.816 ( 2.182 1.942 2.369) 3.761 4.098 ( -2.011 -1.343 -6.143) 6.602 4.098 ( -2.011 -1.343 6.143) 6.602 4.215 ( -1.165 1.545 -4.062) 4.500 4.215 ( -1.165 1.545 4.062) 4.500 4.708 ( 0.750 -4.328 -6.553) 7.889 4.708 ( 0.750 -4.328 6.553) 7.889 4.827 ( -2.282 4.940 -4.362) 6.974 4.827 ( -2.282 4.940 4.362) 6.974 5.555 ( -5.131 -1.661 -3.295) 6.320 5.555 ( -5.131 -1.661 3.295) 6.320 5.990 ( -7.168 -1.055 -2.278) 7.595 5.990 ( -7.168 -1.055 2.278) 7.595 6.386 ( -3.335 1.233 -1.861) 4.013 6.386 ( -3.335 1.233 1.861) 4.013 6.789 ( -4.114 -1.311 -3.279) 5.422 6.789 ( -4.114 -1.311 3.279) 5.422 6.846 ( -4.173 -1.214 -2.700) 5.116 6.846 ( -4.173 -1.214 2.700) 5.116 7.223 ( -2.677 3.935 -5.541) 7.305 7.223 ( -2.677 3.935 5.541) 7.305 7.664 ( -6.167 -0.694 -2.434) 6.666 7.664 ( -6.167 -0.694 2.434) 6.666 7.984 ( 20.137 1.510 -2.029) 20.295 7.984 ( 20.137 1.510 2.029) 20.295 8.431 ( 0.434 -0.709 -0.784) 1.143 8.431 ( 0.434 -0.709 0.784) 1.143 8.636 ( -0.353 0.385 -6.292) 6.313 8.636 ( -0.353 0.385 6.292) 6.313 8.994 ( -0.790 0.299 -0.383) 0.927 8.994 ( -0.790 0.299 0.383) 0.927 9.265 ( 1.886 0.428 -1.667) 2.553 9.265 ( 1.886 0.428 1.667) 2.553 10.214 ( -8.453 -3.407 -18.852) 20.940 10.214 ( -8.453 -3.407 18.852) 20.940 10.373 ( -1.699 2.011 -14.677) 14.912 10.373 ( -1.699 2.011 14.677) 14.912 10.977 ( -2.931 1.731 -3.801) 5.103 10.977 ( -2.931 1.731 3.801) 5.103 11.175 ( -0.263 0.196 -2.927) 2.945 11.175 ( -0.263 0.196 2.927) 2.945 11.523 ( -3.654 -9.009 -5.384) 11.113 11.523 ( -3.654 -9.009 5.384) 11.113 11.762 ( -5.077 5.968 -2.723) 8.295 11.762 ( -5.077 5.968 2.723) 8.295 11.866 ( -2.832 0.522 -3.239) 4.334 11.866 ( -2.832 0.522 3.239) 4.334 12.159 ( -1.713 -2.236 -2.020) 3.466 12.159 ( -1.713 -2.236 2.020) 3.466 12.279 ( 5.306 0.915 -6.630) 8.541 12.279 ( 5.306 0.915 6.630) 8.541 12.846 ( 3.272 -0.473 -2.879) 4.384 12.846 ( 3.272 -0.473 2.879) 4.384 13.544 ( 6.480 -1.078 -2.755) 7.123 13.544 ( 6.480 -1.078 2.755) 7.123 15.929 ( -0.159 -0.210 -1.691) 1.712 15.929 ( -0.159 -0.210 1.691) 1.712 16.326 ( 2.768 0.940 -0.483) 2.963 16.326 ( 2.768 0.940 0.483) 2.963 16.762 ( -0.104 0.314 -1.915) 1.943 16.762 ( -0.104 0.314 1.915) 1.943 17.236 ( -8.519 -3.229 -1.086) 9.175 17.236 ( -8.519 -3.229 1.086) 9.175 17.382 ( 3.053 1.054 -1.008) 3.384 17.382 ( 3.053 1.054 1.008) 3.384 17.761 ( 2.289 1.243 -0.394) 2.634 17.761 ( 2.289 1.243 0.394) 2.634 19.361 ( -11.705 -0.274 -5.003) 12.732 19.361 ( -11.705 -0.274 5.003) 12.732 19.773 ( 2.413 -1.967 -4.414) 5.402 19.773 ( 2.413 -1.967 4.414) 5.402 22.387 ( -1.096 1.305 -3.778) 4.144 22.387 ( -1.096 1.305 3.778) 4.144 22.803 ( 8.577 0.910 -1.918) 8.836 22.803 ( 8.577 0.910 1.918) 8.836 ======================= Grid point 198 (60/75) ======================= q-point: (-0.44 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.554 ( -2.429 1.695 -5.010) 5.820 1.554 ( -2.429 1.695 5.010) 5.820 1.785 ( -4.627 2.148 -6.217) 8.042 1.785 ( -4.627 2.148 6.217) 8.042 1.956 ( -8.156 5.993 -6.558) 12.060 1.956 ( -8.156 5.993 6.558) 12.060 2.136 ( -6.697 3.704 -8.762) 11.634 2.136 ( -6.697 3.704 8.762) 11.634 2.505 ( -0.541 -3.130 -1.278) 3.424 2.505 ( -0.541 -3.130 1.278) 3.424 2.630 ( 3.590 -1.508 -1.230) 4.084 2.630 ( 3.590 -1.508 1.230) 4.084 2.705 ( 1.113 -2.559 -1.507) 3.171 2.705 ( 1.113 -2.559 1.507) 3.171 2.776 ( 2.624 2.295 -1.599) 3.835 2.776 ( 2.624 2.295 1.599) 3.835 2.909 ( 5.776 0.362 -1.782) 6.056 2.909 ( 5.776 0.362 1.782) 6.056 3.070 ( -1.018 3.159 -2.439) 4.119 3.070 ( -1.018 3.159 2.439) 4.119 3.314 ( -4.298 -0.227 -4.611) 6.308 3.314 ( -4.298 -0.227 4.611) 6.308 3.390 ( 2.585 -2.402 -1.731) 3.931 3.390 ( 2.585 -2.402 1.731) 3.931 3.624 ( -2.251 0.871 -4.407) 5.024 3.624 ( -2.251 0.871 4.407) 5.024 3.789 ( -1.062 2.746 -4.153) 5.091 3.789 ( -1.062 2.746 4.153) 5.091 4.024 ( -6.143 1.060 -7.625) 9.849 4.024 ( -6.143 1.060 7.625) 9.849 4.205 ( -0.575 -1.445 -2.306) 2.782 4.205 ( -0.575 -1.445 2.306) 2.782 4.684 ( -6.997 0.113 -2.774) 7.528 4.684 ( -6.997 0.113 2.774) 7.528 4.828 ( 2.400 -6.015 -4.604) 7.946 4.828 ( 2.400 -6.015 4.604) 7.946 5.290 ( -21.094 0.115 -10.842) 23.718 5.290 ( -21.094 0.115 10.842) 23.718 5.849 ( -9.296 -4.190 -3.852) 10.900 5.849 ( -9.296 -4.190 3.852) 10.900 6.317 ( -1.795 1.806 -1.922) 3.190 6.317 ( -1.795 1.806 1.922) 3.190 6.674 ( -8.029 0.036 -5.928) 9.980 6.674 ( -8.029 0.036 5.928) 9.980 6.727 ( -7.922 -1.570 -3.795) 8.923 6.727 ( -7.922 -1.570 3.795) 8.923 7.142 ( -0.145 4.168 -5.045) 6.546 7.142 ( -0.145 4.168 5.045) 6.546 7.632 ( 1.168 1.090 -7.645) 7.810 7.632 ( 1.168 1.090 7.645) 7.810 8.233 ( 3.777 3.638 -2.642) 5.872 8.233 ( 3.777 3.638 2.642) 5.872 8.336 ( -8.242 1.367 -5.240) 9.862 8.336 ( -8.242 1.367 5.240) 9.862 8.777 ( 10.620 -1.952 -9.239) 14.211 8.777 ( 10.620 -1.952 9.239) 14.211 8.957 ( 0.770 1.216 -4.676) 4.892 8.957 ( 0.770 1.216 4.676) 4.892 9.364 ( 9.307 0.243 -5.521) 10.824 9.364 ( 9.307 0.243 5.521) 10.824 9.983 ( -15.909 -2.859 -13.717) 21.199 9.983 ( -15.909 -2.859 13.717) 21.199 10.336 ( -4.809 -4.537 -16.771) 18.027 10.336 ( -4.809 -4.537 16.771) 18.027 10.819 ( -10.466 3.537 -5.446) 12.316 10.819 ( -10.466 3.537 5.446) 12.316 11.098 ( -3.761 2.721 -2.877) 5.462 11.098 ( -3.761 2.721 2.877) 5.462 11.526 ( -9.585 -1.009 -6.878) 11.840 11.526 ( -9.585 -1.009 6.878) 11.840 11.611 ( -1.304 -6.455 -8.501) 10.753 11.611 ( -1.304 -6.455 8.501) 10.753 11.820 ( -0.794 0.553 -4.989) 5.082 11.820 ( -0.794 0.553 4.989) 5.082 12.177 ( 0.577 -2.423 -1.018) 2.691 12.177 ( 0.577 -2.423 1.018) 2.691 12.378 ( 3.638 -1.243 -7.497) 8.426 12.378 ( 3.638 -1.243 7.497) 8.426 12.958 ( 6.466 -2.101 -8.105) 10.579 12.958 ( 6.466 -2.101 8.105) 10.579 13.816 ( 20.679 0.001 -5.557) 21.413 13.816 ( 20.679 0.001 5.557) 21.413 15.933 ( 0.080 -0.623 -6.480) 6.510 15.933 ( 0.080 -0.623 6.480) 6.510 16.404 ( 6.209 1.327 -0.816) 6.401 16.404 ( 6.209 1.327 0.816) 6.401 16.732 ( -2.673 0.373 -4.673) 5.397 16.732 ( -2.673 0.373 4.673) 5.397 17.094 ( -9.226 -5.795 -4.363) 11.736 17.094 ( -9.226 -5.795 4.363) 11.736 17.402 ( -0.048 2.470 -1.626) 2.958 17.402 ( -0.048 2.470 1.626) 2.958 17.801 ( 2.981 1.645 -0.335) 3.422 17.801 ( 2.981 1.645 0.335) 3.422 19.070 ( -22.440 -8.546 -9.681) 25.890 19.070 ( -22.440 -8.546 9.681) 25.890 19.869 ( 4.941 -2.312 -3.517) 6.491 19.869 ( 4.941 -2.312 3.517) 6.491 22.273 ( -4.082 8.654 -11.824) 15.211 22.273 ( -4.082 8.654 11.824) 15.211 23.046 ( 15.794 1.530 -7.404) 17.510 23.046 ( 15.794 1.530 7.404) 17.510 ======================= Grid point 200 (61/75) ======================= q-point: (-0.33 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.445 ( -8.315 4.286 -4.144) 10.232 1.445 ( -8.315 4.286 4.144) 10.232 1.564 ( -9.578 9.071 -1.627) 13.292 1.564 ( -9.578 9.071 1.627) 13.292 1.800 ( -5.869 2.524 -10.431) 12.231 1.800 ( -5.869 2.524 10.431) 12.231 2.028 ( -1.975 0.001 -9.608) 9.809 2.028 ( -1.975 0.001 9.608) 9.809 2.476 ( -5.059 1.695 -1.886) 5.659 2.476 ( -5.059 1.695 1.886) 5.659 2.623 ( -3.607 2.676 -1.402) 4.705 2.623 ( -3.607 2.676 1.402) 4.705 2.743 ( -1.219 -1.818 -3.490) 4.119 2.743 ( -1.219 -1.818 3.490) 4.119 2.851 ( 6.073 1.012 -3.198) 6.937 2.851 ( 6.073 1.012 3.198) 6.937 2.881 ( -4.723 3.727 -0.680) 6.055 2.881 ( -4.723 3.727 0.680) 6.055 3.126 ( 8.134 0.516 -1.600) 8.306 3.126 ( 8.134 0.516 1.600) 8.306 3.211 ( -3.103 -1.276 -2.301) 4.068 3.211 ( -3.103 -1.276 2.301) 4.068 3.489 ( 2.846 -1.667 -2.793) 4.322 3.489 ( 2.846 -1.667 2.793) 4.322 3.580 ( 0.911 5.285 -4.758) 7.169 3.580 ( 0.911 5.285 4.758) 7.169 3.748 ( -4.727 -0.781 -2.088) 5.226 3.748 ( -4.727 -0.781 2.088) 5.226 3.864 ( -7.301 -1.296 -5.578) 9.279 3.864 ( -7.301 -1.296 5.578) 9.279 4.198 ( -2.550 -1.878 -5.408) 6.267 4.198 ( -2.550 -1.878 5.408) 6.267 4.514 ( -11.884 -3.752 -1.805) 12.593 4.514 ( -11.884 -3.752 1.805) 12.593 4.735 ( -18.607 -9.358 -5.854) 21.634 4.735 ( -18.607 -9.358 5.854) 21.634 5.083 ( 3.742 -0.188 -12.029) 12.598 5.083 ( 3.742 -0.188 12.029) 12.598 5.677 ( -11.571 -2.098 -8.530) 14.528 5.677 ( -11.571 -2.098 8.530) 14.528 6.283 ( -0.015 3.052 -4.526) 5.459 6.283 ( -0.015 3.052 4.526) 5.459 6.476 ( -10.802 -0.221 -2.939) 11.197 6.476 ( -10.802 -0.221 2.939) 11.197 6.644 ( -1.686 0.805 -3.480) 3.950 6.644 ( -1.686 0.805 3.480) 3.950 7.127 ( 1.294 3.670 -4.827) 6.200 7.127 ( 1.294 3.670 4.827) 6.200 7.638 ( -1.782 0.253 -9.744) 9.909 7.638 ( -1.782 0.253 9.744) 9.909 8.039 ( -12.102 0.175 -14.994) 19.269 8.039 ( -12.102 0.175 14.994) 19.269 8.279 ( -0.819 5.616 -3.720) 6.786 8.279 ( -0.819 5.616 3.720) 6.786 8.760 ( -5.641 2.483 -0.388) 6.176 8.760 ( -5.641 2.483 0.388) 6.176 9.104 ( 5.658 -1.256 -2.674) 6.383 9.104 ( 5.658 -1.256 2.674) 6.383 9.605 ( 4.962 3.577 -2.389) 6.566 9.605 ( 4.962 3.577 2.389) 6.566 9.743 ( -3.194 -9.795 -8.768) 13.529 9.743 ( -3.194 -9.795 8.768) 13.529 10.272 ( -4.888 -4.991 -12.150) 14.015 10.272 ( -4.888 -4.991 12.150) 14.015 10.592 ( -6.943 2.431 -2.829) 7.882 10.592 ( -6.943 2.431 2.829) 7.882 11.032 ( -1.542 1.652 -2.627) 3.465 11.032 ( -1.542 1.652 2.627) 3.465 11.317 ( -9.641 -0.603 -4.374) 10.604 11.317 ( -9.641 -0.603 4.374) 10.604 11.662 ( -0.390 -3.440 -3.602) 4.996 11.662 ( -0.390 -3.440 3.602) 4.996 11.843 ( 1.916 -3.428 -3.538) 5.286 11.843 ( 1.916 -3.428 3.538) 5.286 12.198 ( -0.411 -1.094 -4.248) 4.406 12.198 ( -0.411 -1.094 4.248) 4.406 12.424 ( -1.086 -4.050 -7.094) 8.241 12.424 ( -1.086 -4.050 7.094) 8.241 13.135 ( 9.303 -6.045 -13.291) 17.313 13.135 ( 9.303 -6.045 13.291) 17.313 14.294 ( 28.832 3.034 -6.104) 29.627 14.294 ( 28.832 3.034 6.104) 29.627 15.942 ( 0.503 -0.435 -9.930) 9.952 15.942 ( 0.503 -0.435 9.930) 9.952 16.524 ( 5.042 -0.431 -0.609) 5.097 16.524 ( 5.042 -0.431 0.609) 5.097 16.666 ( -3.673 -2.497 -4.358) 6.222 16.666 ( -3.673 -2.497 4.358) 6.222 16.993 ( -6.007 -5.553 -4.189) 9.191 16.993 ( -6.007 -5.553 4.189) 9.191 17.334 ( -3.929 4.293 -1.677) 6.056 17.334 ( -3.929 4.293 1.677) 6.056 17.842 ( 2.512 1.794 -0.717) 3.170 17.842 ( 2.512 1.794 0.717) 3.170 18.618 ( -35.733 -16.205 -12.892) 41.300 18.618 ( -35.733 -16.205 12.892) 41.300 19.980 ( 4.072 -2.704 -4.081) 6.367 19.980 ( 4.072 -2.704 4.081) 6.367 22.116 ( -1.380 16.464 -14.692) 22.109 22.116 ( -1.380 16.464 14.692) 22.109 23.366 ( 18.832 1.959 -7.918) 20.523 23.366 ( 18.832 1.959 7.918) 20.523 ======================= Grid point 202 (62/75) ======================= q-point: (-0.22 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.185 ( -10.103 6.183 -15.242) 19.303 1.185 ( -10.103 6.183 15.242) 19.303 1.308 ( -10.760 11.319 -14.470) 21.290 1.308 ( -10.760 11.319 14.470) 21.290 1.664 ( -7.193 -1.091 -8.735) 11.368 1.664 ( -7.193 -1.091 8.735) 11.368 2.043 ( 1.410 -0.992 -8.601) 8.772 2.043 ( 1.410 -0.992 8.601) 8.772 2.240 ( -7.342 13.346 -15.103) 21.451 2.240 ( -7.342 13.346 15.103) 21.451 2.551 ( -0.510 3.498 -6.297) 7.222 2.551 ( -0.510 3.498 6.297) 7.222 2.658 ( -4.914 4.159 -6.460) 9.120 2.658 ( -4.914 4.159 6.460) 9.120 2.818 ( -1.844 -3.677 -3.593) 5.461 2.818 ( -1.844 -3.677 3.593) 5.461 2.982 ( 4.588 -2.545 -7.136) 8.857 2.982 ( 4.588 -2.545 7.136) 8.857 3.172 ( -1.008 -2.958 -0.969) 3.271 3.172 ( -1.008 -2.958 0.969) 3.271 3.323 ( 8.562 -0.036 -3.050) 9.089 3.323 ( 8.562 -0.036 3.050) 9.089 3.495 ( -0.261 2.172 -5.068) 5.520 3.495 ( -0.261 2.172 5.068) 5.520 3.554 ( -3.192 2.912 -2.227) 4.860 3.554 ( -3.192 2.912 2.227) 4.860 3.599 ( -3.035 1.181 -1.643) 3.648 3.599 ( -3.035 1.181 1.643) 3.648 3.843 ( -3.752 -5.587 -1.906) 6.995 3.843 ( -3.752 -5.587 1.906) 6.995 4.091 ( -8.580 -5.277 -5.377) 11.418 4.091 ( -8.580 -5.277 5.377) 11.418 4.368 ( -6.180 -6.950 -3.893) 10.082 4.368 ( -6.180 -6.950 3.893) 10.082 4.578 ( -4.789 -5.801 -3.218) 8.182 4.578 ( -4.789 -5.801 3.218) 8.182 5.181 ( 4.550 0.815 -11.376) 12.279 5.181 ( 4.550 0.815 11.376) 12.279 5.454 ( -10.981 0.888 -11.795) 16.140 5.454 ( -10.981 0.888 11.795) 16.140 6.233 ( -3.312 2.708 -3.007) 5.229 6.233 ( -3.312 2.708 3.007) 5.229 6.324 ( -3.553 0.853 -8.456) 9.212 6.324 ( -3.553 0.853 8.456) 9.212 6.632 ( 1.237 2.077 -8.186) 8.536 6.632 ( 1.237 2.077 8.186) 8.536 7.121 ( 1.065 3.260 -5.592) 6.560 7.121 ( 1.065 3.260 5.592) 6.560 7.507 ( -9.900 -0.247 -10.014) 14.084 7.507 ( -9.900 -0.247 10.014) 14.084 7.902 ( -3.488 -0.932 -15.383) 15.801 7.902 ( -3.488 -0.932 15.383) 15.801 8.194 ( -2.425 4.100 -7.005) 8.471 8.194 ( -2.425 4.100 7.005) 8.471 8.625 ( -5.353 2.776 -0.714) 6.072 8.625 ( -5.353 2.776 0.714) 6.072 9.116 ( -3.267 1.560 -8.359) 9.109 9.116 ( -3.267 1.560 8.359) 9.109 9.460 ( -6.331 -2.270 -6.433) 9.307 9.460 ( -6.331 -2.270 6.433) 9.307 9.929 ( 3.964 -3.622 -9.572) 10.975 9.929 ( 3.964 -3.622 9.572) 10.975 10.187 ( -6.815 -0.089 -9.438) 11.641 10.187 ( -6.815 -0.089 9.438) 11.641 10.716 ( 16.629 -6.837 -5.163) 18.706 10.716 ( 16.629 -6.837 5.163) 18.706 10.984 ( -2.803 -0.231 -3.151) 4.223 10.984 ( -2.803 -0.231 3.151) 4.223 11.208 ( -2.524 -1.591 -2.333) 3.787 11.208 ( -2.524 -1.591 2.333) 3.787 11.661 ( -0.816 -0.506 -1.597) 1.864 11.661 ( -0.816 -0.506 1.597) 1.864 11.919 ( 2.042 -3.950 -2.318) 5.015 11.919 ( 2.042 -3.950 2.318) 5.015 12.160 ( -4.337 -0.525 -9.483) 10.441 12.160 ( -4.337 -0.525 9.483) 10.441 12.419 ( -2.275 -4.187 -6.001) 7.663 12.419 ( -2.275 -4.187 6.001) 7.663 13.445 ( 13.750 -14.229 -14.987) 24.822 13.445 ( 13.750 -14.229 14.987) 24.822 14.822 ( 28.199 6.586 -6.350) 29.646 14.822 ( 28.199 6.586 6.350) 29.646 15.973 ( 3.110 0.420 -10.538) 10.996 15.973 ( 3.110 0.420 10.538) 10.996 16.528 ( -4.673 -8.840 -5.273) 11.304 16.528 ( -4.673 -8.840 5.273) 11.304 16.714 ( 2.986 -3.021 -0.984) 4.360 16.714 ( 2.986 -3.021 0.984) 4.360 16.957 ( -1.220 -2.672 -1.156) 3.157 16.957 ( -1.220 -2.672 1.156) 3.157 17.192 ( -6.891 3.586 -1.626) 7.937 17.192 ( -6.891 3.586 1.626) 7.937 17.860 ( -1.062 0.831 -1.045) 1.705 17.860 ( -1.062 0.831 1.045) 1.705 17.967 ( -42.065 -15.352 -11.932) 46.341 17.967 ( -42.065 -15.352 11.932) 46.341 20.062 ( 1.847 -3.187 -5.233) 6.399 20.062 ( 1.847 -3.187 5.233) 6.399 21.935 ( -0.054 24.515 -15.089) 28.786 21.935 ( -0.054 24.515 15.089) 28.786 23.718 ( 17.056 -0.087 -5.832) 18.026 23.718 ( 17.056 -0.087 5.832) 18.026 ======================= Grid point 204 (63/75) ======================= q-point: (-0.11 0.11 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( -0.000 1.296 -23.944) 23.979 1.050 ( -0.000 1.296 23.944) 23.979 1.052 ( -0.000 10.118 -21.964) 24.183 1.052 ( -0.000 10.118 21.964) 24.183 1.572 ( -0.000 3.018 -16.112) 16.392 1.572 ( -0.000 3.018 16.112) 16.392 2.002 ( -0.000 9.369 -19.348) 21.497 2.002 ( -0.000 9.369 19.348) 21.497 2.153 ( 0.000 -0.446 -8.466) 8.478 2.153 ( 0.000 -0.446 8.466) 8.478 2.536 ( -0.000 2.333 -12.626) 12.839 2.536 ( -0.000 2.333 12.626) 12.839 2.545 ( -0.000 4.952 -9.327) 10.560 2.545 ( -0.000 4.952 9.327) 10.560 2.835 ( 0.000 -4.366 -3.889) 5.847 2.835 ( 0.000 -4.366 3.889) 5.847 3.061 ( 0.000 -5.155 -7.908) 9.440 3.061 ( 0.000 -5.155 7.908) 9.440 3.185 ( 0.000 -2.066 -2.927) 3.583 3.185 ( 0.000 -2.066 2.927) 3.583 3.391 ( -0.000 2.926 -7.291) 7.856 3.391 ( -0.000 2.926 7.291) 7.856 3.436 ( -0.000 0.373 -1.572) 1.616 3.436 ( -0.000 0.373 1.572) 1.616 3.544 ( -0.000 4.752 -1.911) 5.122 3.544 ( -0.000 4.752 1.911) 5.122 3.673 ( 0.000 -4.086 -0.789) 4.162 3.673 ( 0.000 -4.086 0.789) 4.162 3.693 ( -0.000 0.373 -3.525) 3.544 3.693 ( -0.000 0.373 3.525) 3.544 4.106 ( 0.000 -11.577 -1.384) 11.660 4.106 ( 0.000 -11.577 1.384) 11.660 4.359 ( 0.000 -4.778 -3.140) 5.717 4.359 ( 0.000 -4.778 3.140) 5.717 4.567 ( -0.000 0.058 -5.702) 5.702 4.567 ( -0.000 0.058 5.702) 5.702 5.223 ( -0.000 0.796 -13.647) 13.671 5.223 ( -0.000 0.796 13.647) 13.671 5.304 ( -0.000 3.723 -13.417) 13.924 5.304 ( -0.000 3.723 13.417) 13.924 6.173 ( -0.000 1.109 -0.580) 1.251 6.173 ( -0.000 1.109 0.580) 1.251 6.286 ( -0.000 1.621 -12.482) 12.587 6.286 ( -0.000 1.621 12.482) 12.587 6.632 ( -0.000 1.781 -10.715) 10.862 6.632 ( -0.000 1.781 10.715) 10.862 7.110 ( -0.000 2.225 -6.186) 6.574 7.110 ( -0.000 2.225 6.186) 6.574 7.392 ( 0.000 -0.373 -9.866) 9.873 7.392 ( 0.000 -0.373 9.866) 9.873 7.870 ( 0.000 -1.029 -15.317) 15.351 7.870 ( 0.000 -1.029 15.317) 15.351 8.146 ( -0.000 3.192 -11.407) 11.846 8.146 ( -0.000 3.192 11.407) 11.846 8.543 ( -0.000 2.085 -2.629) 3.355 8.543 ( -0.000 2.085 2.629) 3.355 9.049 ( -0.000 1.777 -9.431) 9.597 9.049 ( -0.000 1.777 9.431) 9.597 9.425 ( 0.000 -1.313 -4.344) 4.538 9.425 ( 0.000 -1.313 4.344) 4.538 9.986 ( 0.000 -2.468 -8.145) 8.511 9.986 ( 0.000 -2.468 8.145) 8.511 10.100 ( -0.000 0.349 -13.916) 13.920 10.100 ( -0.000 0.349 13.916) 13.920 10.938 ( 0.000 -0.952 -4.942) 5.032 10.938 ( 0.000 -0.952 4.942) 5.032 11.019 ( 0.000 -6.735 -4.043) 7.855 11.019 ( 0.000 -6.735 4.043) 7.855 11.220 ( 0.000 -3.613 -4.130) 5.487 11.220 ( 0.000 -3.613 4.130) 5.487 11.654 ( 0.000 -0.081 -0.998) 1.001 11.654 ( 0.000 -0.081 0.998) 1.001 11.968 ( 0.000 -1.840 -2.621) 3.202 11.968 ( 0.000 -1.840 2.621) 3.202 12.096 ( 0.000 -0.623 -13.425) 13.439 12.096 ( 0.000 -0.623 13.425) 13.439 12.423 ( 0.000 -2.646 -6.381) 6.907 12.423 ( 0.000 -2.646 6.381) 6.907 13.775 ( 0.000 -19.124 -7.884) 20.685 13.775 ( 0.000 -19.124 7.884) 20.685 15.102 ( -0.000 7.080 -7.245) 10.130 15.102 ( -0.000 7.080 7.245) 10.130 16.025 ( -0.000 1.149 -7.319) 7.408 16.025 ( -0.000 1.149 7.319) 7.408 16.665 ( 0.000 -0.090 -6.189) 6.189 16.665 ( 0.000 -0.090 6.189) 6.189 16.714 ( 0.000 -20.555 -9.079) 22.471 16.714 ( 0.000 -20.555 9.079) 22.471 16.968 ( 0.000 -2.069 -4.233) 4.712 16.968 ( 0.000 -2.069 4.233) 4.712 17.082 ( 0.000 -0.121 -3.448) 3.450 17.082 ( 0.000 -0.121 3.448) 3.450 17.463 ( 0.000 -4.977 -5.936) 7.746 17.463 ( 0.000 -4.977 5.936) 7.746 17.866 ( -0.000 1.503 -1.037) 1.827 17.866 ( -0.000 1.503 1.037) 1.827 20.109 ( 0.000 -4.376 -4.759) 6.465 20.109 ( 0.000 -4.376 4.759) 6.465 21.708 ( -0.000 28.575 -10.742) 30.527 21.708 ( -0.000 28.575 10.742) 30.527 23.921 ( 0.000 -1.717 -3.691) 4.071 23.921 ( 0.000 -1.717 3.691) 4.071 ======================= Grid point 210 (64/75) ======================= q-point: ( 0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.645 ( 2.104 0.000 -7.138) 7.441 1.645 ( 2.104 0.000 7.138) 7.441 1.762 ( 2.358 0.000 -5.827) 6.286 1.762 ( 2.358 0.000 5.827) 6.286 2.016 ( 9.291 0.000 -3.020) 9.770 2.016 ( 9.291 0.000 3.020) 9.770 2.268 ( 10.447 0.000 -0.014) 10.447 2.268 ( 10.447 0.000 0.014) 10.447 2.477 ( -5.373 -0.000 -3.350) 6.332 2.477 ( -5.373 -0.000 3.350) 6.332 2.577 ( -6.788 -0.000 -0.482) 6.805 2.577 ( -6.788 -0.000 0.482) 6.805 2.677 ( -2.249 -0.000 -0.299) 2.269 2.677 ( -2.249 -0.000 0.299) 2.269 2.877 ( -1.528 -0.000 -1.409) 2.078 2.877 ( -1.528 -0.000 1.409) 2.078 2.957 ( -1.223 -0.000 -2.689) 2.954 2.957 ( -1.223 -0.000 2.689) 2.954 2.963 ( 4.192 0.000 -7.020) 8.176 2.963 ( 4.192 0.000 7.020) 8.176 3.243 ( -2.327 -0.000 -2.663) 3.536 3.243 ( -2.327 -0.000 2.663) 3.536 3.363 ( 0.905 0.000 -0.138) 0.915 3.363 ( 0.905 0.000 0.138) 0.915 3.601 ( 10.389 0.000 -5.742) 11.870 3.601 ( 10.389 0.000 5.742) 11.870 3.749 ( -3.066 -0.000 -3.763) 4.854 3.749 ( -3.066 -0.000 3.763) 4.854 4.097 ( 3.486 0.000 -1.025) 3.634 4.097 ( 3.486 0.000 1.025) 3.634 4.309 ( -3.880 -0.000 -1.514) 4.165 4.309 ( -3.880 -0.000 1.514) 4.165 4.669 ( -1.608 -0.000 -6.075) 6.284 4.669 ( -1.608 -0.000 6.075) 6.284 4.939 ( 0.093 0.000 -7.528) 7.528 4.939 ( 0.093 0.000 7.528) 7.528 5.489 ( 5.080 0.000 -1.791) 5.386 5.489 ( 5.080 0.000 1.791) 5.386 6.079 ( 0.647 0.000 -1.827) 1.939 6.079 ( 0.647 0.000 1.827) 1.939 6.411 ( 4.286 0.000 -2.131) 4.787 6.411 ( 4.286 0.000 2.131) 4.787 6.791 ( 1.946 0.000 -2.946) 3.530 6.791 ( 1.946 0.000 2.946) 3.530 6.894 ( -2.000 -0.000 -2.493) 3.196 6.894 ( -2.000 -0.000 2.493) 3.196 7.130 ( 15.178 0.000 -1.514) 15.253 7.130 ( 15.178 0.000 1.514) 15.253 7.681 ( 6.487 0.000 -0.160) 6.489 7.681 ( 6.487 0.000 0.160) 6.489 7.887 ( -12.870 -0.000 -6.895) 14.601 7.887 ( -12.870 -0.000 6.895) 14.601 8.456 ( -1.739 -0.000 -3.843) 4.218 8.456 ( -1.739 -0.000 3.843) 4.218 8.625 ( -0.924 -0.000 -5.821) 5.894 8.625 ( -0.924 -0.000 5.821) 5.894 8.960 ( 3.511 0.000 -1.580) 3.851 8.960 ( 3.511 0.000 1.580) 3.851 9.299 ( -3.003 -0.000 -8.269) 8.797 9.299 ( -3.003 -0.000 8.269) 8.797 10.195 ( 2.285 0.000 -22.009) 22.127 10.195 ( 2.285 0.000 22.009) 22.127 10.514 ( -2.859 -0.000 -11.407) 11.759 10.514 ( -2.859 -0.000 11.407) 11.759 10.935 ( 10.659 0.000 -2.809) 11.023 10.935 ( 10.659 0.000 2.809) 11.023 11.070 ( 2.507 0.000 -5.738) 6.262 11.070 ( 2.507 0.000 5.738) 6.262 11.515 ( -2.858 -0.000 -0.726) 2.949 11.515 ( -2.858 -0.000 0.726) 2.949 11.855 ( 4.957 0.000 -6.296) 8.013 11.855 ( 4.957 0.000 6.296) 8.013 11.891 ( 0.477 0.000 -7.595) 7.610 11.891 ( 0.477 0.000 7.595) 7.610 12.205 ( -1.977 -0.000 -2.498) 3.186 12.205 ( -1.977 -0.000 2.498) 3.186 12.290 ( -6.818 -0.000 -0.638) 6.848 12.290 ( -6.818 -0.000 0.638) 6.848 12.855 ( -4.812 -0.000 -2.724) 5.530 12.855 ( -4.812 -0.000 2.724) 5.530 13.538 ( -7.184 -0.000 -0.127) 7.185 13.538 ( -7.184 -0.000 0.127) 7.185 15.942 ( -0.948 -0.000 -3.654) 3.775 15.942 ( -0.948 -0.000 3.654) 3.775 16.317 ( -0.972 -0.000 -0.752) 1.229 16.317 ( -0.972 -0.000 0.752) 1.229 16.748 ( 1.049 0.000 -1.573) 1.891 16.748 ( 1.049 0.000 1.573) 1.891 17.281 ( 1.474 0.000 -1.668) 2.226 17.281 ( 1.474 0.000 1.668) 2.226 17.376 ( -1.711 -0.000 -3.244) 3.667 17.376 ( -1.711 -0.000 3.244) 3.667 17.741 ( 1.046 0.000 -1.345) 1.703 17.741 ( 1.046 0.000 1.345) 1.703 19.564 ( -0.292 -0.000 -4.333) 4.343 19.564 ( -0.292 -0.000 4.333) 4.343 19.764 ( -8.381 -0.000 -8.550) 11.973 19.764 ( -8.381 -0.000 8.550) 11.973 22.195 ( 15.309 0.000 -8.943) 17.730 22.195 ( 15.309 0.000 8.943) 17.730 22.819 ( -6.333 -0.000 -8.579) 10.664 22.819 ( -6.333 -0.000 8.579) 10.664 ======================= Grid point 212 (65/75) ======================= q-point: ( 0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.637 ( -1.219 1.805 -5.927) 6.314 1.637 ( -1.219 1.805 5.927) 6.314 1.797 ( 0.650 -1.212 -6.698) 6.837 1.797 ( 0.650 -1.212 6.698) 6.837 2.147 ( 2.784 0.975 -1.749) 3.429 2.147 ( 2.784 0.975 1.749) 3.429 2.335 ( -5.448 1.120 -4.248) 6.998 2.335 ( -5.448 1.120 4.248) 6.998 2.442 ( -0.293 -0.522 -2.324) 2.400 2.442 ( -0.293 -0.522 2.324) 2.400 2.512 ( 3.419 -0.981 -0.572) 3.603 2.512 ( 3.419 -0.981 0.572) 3.603 2.652 ( 0.465 -0.441 -2.161) 2.254 2.652 ( 0.465 -0.441 2.161) 2.254 2.844 ( -0.808 2.453 -1.615) 3.047 2.844 ( -0.808 2.453 1.615) 3.047 2.898 ( 0.552 4.902 -1.189) 5.074 2.898 ( 0.552 4.902 1.189) 5.074 3.058 ( 2.188 -3.797 -3.130) 5.386 3.058 ( 2.188 -3.797 3.130) 5.386 3.230 ( 0.599 -1.164 -1.652) 2.108 3.230 ( 0.599 -1.164 1.652) 2.108 3.371 ( -1.562 -2.335 -3.091) 4.177 3.371 ( -1.562 -2.335 3.091) 4.177 3.668 ( -2.233 0.432 -3.471) 4.150 3.668 ( -2.233 0.432 3.471) 4.150 3.822 ( 7.619 -0.328 -5.776) 9.567 3.822 ( 7.619 -0.328 5.776) 9.567 4.083 ( -5.182 -0.329 -4.421) 6.820 4.083 ( -5.182 -0.329 4.421) 6.820 4.236 ( -1.607 0.614 -2.682) 3.186 4.236 ( -1.607 0.614 2.682) 3.186 4.659 ( -0.046 -1.396 -7.315) 7.447 4.659 ( -0.046 -1.396 7.315) 7.447 4.899 ( -3.600 2.790 -3.783) 5.921 4.899 ( -3.600 2.790 3.783) 5.921 5.523 ( -2.987 -1.472 -2.762) 4.327 5.523 ( -2.987 -1.472 2.762) 4.327 5.981 ( -10.500 -0.243 -3.306) 11.011 5.981 ( -10.500 -0.243 3.306) 11.011 6.405 ( -3.216 0.717 -2.193) 3.958 6.405 ( -3.216 0.717 2.193) 3.958 6.772 ( -3.186 -0.345 -6.138) 6.924 6.772 ( -3.186 -0.345 6.138) 6.924 6.828 ( -5.613 -0.830 -3.764) 6.809 6.828 ( -5.613 -0.830 3.764) 6.809 7.281 ( -1.313 2.326 -6.731) 7.242 7.281 ( -1.313 2.326 6.731) 7.242 7.648 ( -3.901 -0.889 -2.408) 4.670 7.648 ( -3.901 -0.889 2.408) 4.670 8.001 ( 20.581 0.573 -1.985) 20.684 8.001 ( 20.581 0.573 1.985) 20.684 8.422 ( -0.627 -0.327 -1.044) 1.261 8.422 ( -0.627 -0.327 1.044) 1.261 8.641 ( 0.055 0.173 -6.392) 6.394 8.641 ( 0.055 0.173 6.392) 6.394 8.996 ( 0.044 -0.003 -0.064) 0.078 8.996 ( 0.044 -0.003 0.064) 0.078 9.275 ( 1.536 0.490 -0.236) 1.630 9.275 ( 1.536 0.490 0.236) 1.630 10.166 ( -6.790 -1.669 -21.256) 22.376 10.166 ( -6.790 -1.669 21.256) 22.376 10.407 ( -6.612 1.349 -10.599) 12.565 10.407 ( -6.612 1.349 10.599) 12.565 11.012 ( -2.113 2.040 -3.767) 4.776 11.012 ( -2.113 2.040 3.767) 4.776 11.159 ( 4.891 -1.631 -4.235) 6.672 11.159 ( 4.891 -1.631 4.235) 6.672 11.411 ( -7.349 -3.632 -4.335) 9.274 11.411 ( -7.349 -3.632 4.335) 9.274 11.830 ( -8.454 1.819 -2.357) 8.963 11.830 ( -8.454 1.819 2.357) 8.963 11.880 ( -1.348 0.932 -6.252) 6.464 11.880 ( -1.348 0.932 6.252) 6.464 12.132 ( -2.334 -0.886 -0.867) 2.643 12.132 ( -2.334 -0.886 0.867) 2.643 12.291 ( 4.576 0.402 -7.510) 8.804 12.291 ( 4.576 0.402 7.510) 8.804 12.839 ( 2.731 -0.250 -2.852) 3.956 12.839 ( 2.731 -0.250 2.852) 3.956 13.526 ( 6.313 -0.704 -3.445) 7.227 13.526 ( 6.313 -0.704 3.445) 7.227 15.927 ( -0.479 -0.079 -1.174) 1.271 15.927 ( -0.479 -0.079 1.174) 1.271 16.340 ( 3.423 0.590 -0.656) 3.535 16.340 ( 3.423 0.590 0.656) 3.535 16.765 ( 0.408 0.109 -1.909) 1.955 16.765 ( 0.408 0.109 1.909) 1.955 17.193 ( -9.944 -1.476 -0.739) 10.080 17.193 ( -9.944 -1.476 0.739) 10.080 17.395 ( 3.291 0.399 -0.956) 3.450 17.395 ( 3.291 0.399 0.956) 3.450 17.778 ( 2.577 0.585 -0.702) 2.734 17.778 ( 2.577 0.585 0.702) 2.734 19.371 ( -16.401 0.847 -5.083) 17.191 19.371 ( -16.401 0.847 5.083) 17.191 19.742 ( 2.997 -1.262 -6.396) 7.175 19.742 ( 2.997 -1.262 6.396) 7.175 22.392 ( 3.089 -0.177 -1.033) 3.262 22.392 ( 3.089 -0.177 1.033) 3.262 22.818 ( 8.178 0.668 -1.092) 8.277 22.818 ( 8.178 0.668 1.092) 8.277 ======================= Grid point 214 (66/75) ======================= q-point: (-0.56 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.586 ( -2.542 1.744 -5.413) 6.229 1.586 ( -2.542 1.744 5.413) 6.229 1.800 ( -1.088 0.098 -6.575) 6.665 1.800 ( -1.088 0.098 6.575) 6.665 2.075 ( -5.642 7.568 -4.472) 10.445 2.075 ( -5.642 7.568 4.472) 10.445 2.196 ( -6.189 2.754 -7.495) 10.102 2.196 ( -6.189 2.754 7.495) 10.102 2.438 ( -1.646 -4.526 -3.153) 5.757 2.438 ( -1.646 -4.526 3.153) 5.757 2.610 ( 4.768 -0.927 -2.354) 5.398 2.610 ( 4.768 -0.927 2.354) 5.398 2.684 ( 1.106 -0.160 -2.947) 3.151 2.684 ( 1.106 -0.160 2.947) 3.151 2.819 ( 0.964 2.680 -2.006) 3.484 2.819 ( 0.964 2.680 2.006) 3.484 2.931 ( 5.360 2.274 -3.609) 6.850 2.931 ( 5.360 2.274 3.609) 6.850 3.104 ( 1.102 0.616 -0.902) 1.551 3.104 ( 1.102 0.616 0.902) 1.551 3.276 ( 0.420 -5.325 -3.033) 6.143 3.276 ( 0.420 -5.325 3.033) 6.143 3.338 ( -2.726 -1.341 -2.411) 3.878 3.338 ( -2.726 -1.341 2.411) 3.878 3.630 ( -1.040 0.342 -0.527) 1.215 3.630 ( -1.040 0.342 0.527) 1.215 3.852 ( -1.864 4.450 -2.978) 5.670 3.852 ( -1.864 4.450 2.978) 5.670 4.014 ( -3.727 -2.478 -7.898) 9.078 4.014 ( -3.727 -2.478 7.898) 9.078 4.206 ( -1.317 0.861 -3.298) 3.654 4.206 ( -1.317 0.861 3.298) 3.654 4.661 ( -4.671 -3.085 -9.046) 10.637 4.661 ( -4.671 -3.085 9.046) 10.637 4.772 ( -6.293 0.076 -3.095) 7.013 4.772 ( -6.293 0.076 3.095) 7.013 5.290 ( -21.447 -0.129 -12.746) 24.949 5.290 ( -21.447 -0.129 12.746) 24.949 5.784 ( -8.842 -3.253 -1.969) 9.625 5.784 ( -8.842 -3.253 1.969) 9.625 6.357 ( 0.130 2.560 -4.488) 5.169 6.357 ( 0.130 2.560 4.488) 5.169 6.671 ( -8.513 -0.500 -4.837) 9.804 6.671 ( -8.513 -0.500 4.837) 9.804 6.703 ( -5.983 -1.190 -5.820) 8.431 6.703 ( -5.983 -1.190 5.820) 8.431 7.206 ( -1.130 3.233 -5.625) 6.586 7.206 ( -1.130 3.233 5.625) 6.586 7.649 ( 1.523 0.721 -6.883) 7.086 7.649 ( 1.523 0.721 6.883) 7.086 8.267 ( -3.491 0.702 -8.271) 9.005 8.267 ( -3.491 0.702 8.271) 9.005 8.365 ( 1.478 1.718 -3.008) 3.767 8.365 ( 1.478 1.718 3.008) 3.767 8.746 ( 10.291 -1.446 -10.856) 15.029 8.746 ( 10.291 -1.446 10.856) 15.029 8.974 ( -0.525 0.752 -3.876) 3.983 8.974 ( -0.525 0.752 3.876) 3.983 9.375 ( 10.034 0.854 -5.144) 11.308 9.375 ( 10.034 0.854 5.144) 11.308 9.947 ( -16.298 -1.445 -11.992) 20.286 9.947 ( -16.298 -1.445 11.992) 20.286 10.275 ( -7.387 -2.613 -9.521) 12.331 10.275 ( -7.387 -2.613 9.521) 12.331 10.870 ( -10.276 2.444 -6.095) 12.195 10.870 ( -10.276 2.444 6.095) 12.195 11.151 ( -3.109 3.815 -3.599) 6.097 11.151 ( -3.109 3.815 3.599) 6.097 11.413 ( 0.249 -8.984 -1.544) 9.119 11.413 ( 0.249 -8.984 1.544) 9.119 11.590 ( -11.919 0.883 -5.275) 13.064 11.590 ( -11.919 0.883 5.275) 13.064 11.833 ( -2.011 0.819 -6.167) 6.538 11.833 ( -2.011 0.819 6.167) 6.538 12.139 ( 0.945 -1.807 -0.673) 2.147 12.139 ( 0.945 -1.807 0.673) 2.147 12.365 ( 1.914 -0.403 -8.863) 9.076 12.365 ( 1.914 -0.403 8.863) 9.076 12.925 ( 4.473 -1.639 -7.259) 8.682 12.925 ( 4.473 -1.639 7.259) 8.682 13.809 ( 21.949 -0.603 -6.447) 22.884 13.809 ( 21.949 -0.603 6.447) 22.884 15.925 ( -0.019 -0.409 -5.875) 5.889 15.925 ( -0.019 -0.409 5.875) 5.889 16.431 ( 6.620 1.687 -1.050) 6.912 16.431 ( 6.620 1.687 1.050) 6.912 16.741 ( -3.486 0.514 -4.593) 5.789 16.741 ( -3.486 0.514 4.593) 5.789 17.006 ( -10.310 -4.306 -4.718) 12.128 17.006 ( -10.310 -4.306 4.718) 12.128 17.438 ( 1.256 1.631 -1.138) 2.352 17.438 ( 1.256 1.631 1.138) 2.352 17.824 ( 2.821 0.960 -0.264) 2.991 17.824 ( 2.821 0.960 0.264) 2.991 18.974 ( -25.986 -3.327 -8.648) 27.589 18.974 ( -25.986 -3.327 8.648) 27.589 19.836 ( 5.127 -1.453 -3.566) 6.412 19.836 ( 5.127 -1.453 3.566) 6.412 22.373 ( -1.193 3.611 -10.863) 11.509 22.373 ( -1.193 3.611 10.863) 11.509 23.069 ( 16.319 1.073 -5.962) 17.407 23.069 ( 16.319 1.073 5.962) 17.407 ======================= Grid point 216 (67/75) ======================= q-point: (-0.44 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( -5.149 2.232 -5.435) 7.812 1.501 ( -5.149 2.232 5.435) 7.812 1.715 ( -5.461 7.530 -4.225) 10.216 1.715 ( -5.461 7.530 4.225) 10.216 1.892 ( -4.766 8.503 -10.093) 14.031 1.892 ( -4.766 8.503 10.093) 14.031 2.053 ( -5.295 3.282 -9.454) 11.322 2.053 ( -5.295 3.282 9.454) 11.322 2.456 ( -0.733 -4.766 -0.347) 4.835 2.456 ( -0.733 -4.766 0.347) 4.835 2.663 ( -0.941 2.373 -1.832) 3.142 2.663 ( -0.941 2.373 1.832) 3.142 2.701 ( 0.972 -1.957 -2.212) 3.109 2.701 ( 0.972 -1.957 2.212) 3.109 2.855 ( 3.646 0.341 -2.815) 4.619 2.855 ( 3.646 0.341 2.815) 4.619 2.968 ( -1.391 4.475 -2.410) 5.270 2.968 ( -1.391 4.475 2.410) 5.270 3.124 ( 2.577 0.211 -0.460) 2.626 3.124 ( 2.577 0.211 0.460) 2.626 3.233 ( -1.752 2.178 -2.276) 3.605 3.233 ( -1.752 2.178 2.276) 3.605 3.399 ( 2.306 -7.706 -2.066) 8.304 3.399 ( 2.306 -7.706 2.066) 8.304 3.625 ( 0.608 0.401 -1.220) 1.421 3.625 ( 0.608 0.401 1.220) 1.421 3.783 ( -2.164 3.356 -4.086) 5.713 3.783 ( -2.164 3.356 4.086) 5.713 3.874 ( -10.158 2.700 -7.715) 13.038 3.874 ( -10.158 2.700 7.715) 13.038 4.178 ( -1.909 -0.592 -5.468) 5.822 4.178 ( -1.909 -0.592 5.468) 5.822 4.440 ( -20.062 -5.678 -3.967) 21.224 4.440 ( -20.062 -5.678 3.967) 21.224 4.597 ( -15.005 -5.340 -1.484) 15.996 4.597 ( -15.005 -5.340 1.484) 15.996 5.051 ( 0.167 -3.530 -13.651) 14.101 5.051 ( 0.167 -3.530 13.651) 14.101 5.638 ( -9.907 -2.367 -6.253) 11.952 5.638 ( -9.907 -2.367 6.253) 11.952 6.350 ( 1.789 4.864 -4.607) 6.934 6.350 ( 1.789 4.864 4.607) 6.934 6.477 ( -10.262 0.281 -1.404) 10.361 6.477 ( -10.262 0.281 1.404) 10.361 6.657 ( 0.234 0.175 -4.501) 4.510 6.657 ( 0.234 0.175 4.501) 4.510 7.185 ( 1.110 3.139 -5.022) 6.025 7.185 ( 1.110 3.139 5.022) 6.025 7.646 ( -2.518 0.629 -8.091) 8.497 7.646 ( -2.518 0.629 8.091) 8.497 8.041 ( -12.140 0.067 -15.936) 20.033 8.041 ( -12.140 0.067 15.936) 20.033 8.363 ( -2.487 4.093 -3.878) 6.163 8.363 ( -2.487 4.093 3.878) 6.163 8.793 ( -4.332 1.370 -0.982) 4.648 8.793 ( -4.332 1.370 0.982) 4.648 9.081 ( 7.535 -1.205 -5.113) 9.186 9.081 ( 7.535 -1.205 5.113) 9.186 9.611 ( -11.166 -5.365 -5.332) 13.487 9.611 ( -11.166 -5.365 5.332) 13.487 9.673 ( 12.373 3.711 -2.103) 13.087 9.673 ( 12.373 3.711 2.103) 13.087 10.184 ( -4.272 -5.238 -10.154) 12.198 10.184 ( -4.272 -5.238 10.154) 12.198 10.629 ( -10.448 1.977 -6.105) 12.261 10.629 ( -10.448 1.977 6.105) 12.261 11.070 ( -2.600 2.949 -2.750) 4.797 11.070 ( -2.600 2.949 2.750) 4.797 11.301 ( -10.684 -1.452 -3.069) 11.211 11.301 ( -10.684 -1.452 3.069) 11.211 11.580 ( 2.962 -5.875 -5.444) 8.539 11.580 ( 2.962 -5.875 5.444) 8.539 11.805 ( -0.791 -1.294 -5.850) 6.043 11.805 ( -0.791 -1.294 5.850) 6.043 12.176 ( 0.772 -1.462 -2.013) 2.605 12.176 ( 0.772 -1.462 2.013) 2.605 12.361 ( -3.431 -3.238 -7.807) 9.121 12.361 ( -3.431 -3.238 7.807) 9.121 13.040 ( 5.144 -5.007 -11.192) 13.296 13.040 ( 5.144 -5.007 11.192) 13.296 14.332 ( 31.075 1.457 -7.183) 31.928 14.332 ( 31.075 1.457 7.183) 31.928 15.934 ( 0.780 -0.490 -9.353) 9.398 15.934 ( 0.780 -0.490 9.353) 9.398 16.518 ( -1.551 0.164 -1.257) 2.004 16.518 ( -1.551 0.164 1.257) 2.004 16.640 ( -1.976 -0.953 -1.627) 2.732 16.640 ( -1.976 -0.953 1.627) 2.732 16.910 ( -3.754 -4.267 -2.905) 6.383 16.910 ( -3.754 -4.267 2.905) 6.383 17.398 ( -3.475 3.267 -1.472) 4.991 17.398 ( -3.475 3.267 1.472) 4.991 17.867 ( 2.448 1.167 -0.731) 2.809 17.867 ( 2.448 1.167 0.731) 2.809 18.424 ( -35.249 -7.404 -11.016) 37.665 18.424 ( -35.249 -7.404 11.016) 37.665 19.947 ( 4.723 -1.395 -3.415) 5.993 19.947 ( 4.723 -1.395 3.415) 5.993 22.321 ( 1.021 8.484 -14.741) 17.039 22.321 ( 1.021 8.484 14.741) 17.039 23.392 ( 17.727 1.095 -6.991) 19.087 23.392 ( 17.727 1.095 6.991) 19.087 ======================= Grid point 218 (68/75) ======================= q-point: (-0.33 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.328 ( -6.995 8.860 -7.597) 13.607 1.328 ( -6.995 8.860 7.597) 13.607 1.523 ( -6.267 13.573 -6.867) 16.452 1.523 ( -6.267 13.573 6.867) 16.452 1.687 ( -8.331 5.173 -8.529) 12.996 1.687 ( -8.331 5.173 8.529) 12.996 2.010 ( 0.866 -1.977 -9.823) 10.057 2.010 ( 0.866 -1.977 9.823) 10.057 2.441 ( -1.507 7.498 -4.800) 9.029 2.441 ( -1.507 7.498 4.800) 9.029 2.605 ( -0.730 2.386 -3.428) 4.240 2.605 ( -0.730 2.386 3.428) 4.240 2.701 ( -2.109 -1.134 -4.226) 4.857 2.701 ( -2.109 -1.134 4.226) 4.857 2.791 ( -6.241 4.119 -0.413) 7.489 2.791 ( -6.241 4.119 0.413) 7.489 2.979 ( 4.561 1.958 -5.702) 7.560 2.979 ( 4.561 1.958 5.702) 7.560 3.121 ( -1.950 -2.466 -0.694) 3.219 3.121 ( -1.950 -2.466 0.694) 3.219 3.309 ( 6.948 -2.550 -2.620) 7.851 3.309 ( 6.948 -2.550 2.620) 7.851 3.485 ( 1.345 -3.368 -3.941) 5.356 3.485 ( 1.345 -3.368 3.941) 5.356 3.569 ( -9.652 0.599 -1.339) 9.762 3.569 ( -9.652 0.599 1.339) 9.762 3.661 ( 1.157 4.049 -2.083) 4.698 3.661 ( 1.157 4.049 2.083) 4.698 3.777 ( -1.450 -1.103 -2.745) 3.295 3.777 ( -1.450 -1.103 2.745) 3.295 4.015 ( -15.063 -3.493 -4.719) 16.167 4.015 ( -15.063 -3.493 4.719) 16.167 4.240 ( -5.120 -8.108 -5.756) 11.184 4.240 ( -5.120 -8.108 5.756) 11.184 4.456 ( -4.808 -7.592 -4.172) 9.908 4.456 ( -4.808 -7.592 4.172) 9.908 5.164 ( 5.360 -3.264 -11.515) 13.114 5.164 ( 5.360 -3.264 11.515) 13.114 5.451 ( -10.040 -1.416 -10.142) 14.341 5.451 ( -10.040 -1.416 10.142) 14.341 6.276 ( -6.106 1.986 -1.827) 6.675 6.276 ( -6.106 1.986 1.827) 6.675 6.365 ( 0.842 4.600 -10.629) 11.612 6.365 ( 0.842 4.600 10.629) 11.612 6.683 ( 3.324 3.519 -7.740) 9.129 6.683 ( 3.324 3.519 7.740) 9.129 7.181 ( 1.084 3.555 -5.746) 6.843 7.181 ( 1.084 3.555 5.746) 6.843 7.506 ( -10.158 0.050 -10.083) 14.313 7.506 ( -10.158 0.050 10.083) 14.313 7.886 ( -4.740 -0.829 -14.425) 15.206 7.886 ( -4.740 -0.829 14.425) 15.206 8.252 ( -4.040 2.492 -8.266) 9.532 8.252 ( -4.040 2.492 8.266) 9.532 8.673 ( -5.236 2.742 -0.620) 5.943 8.673 ( -5.236 2.742 0.620) 5.943 9.145 ( -1.242 1.839 -7.594) 7.912 9.145 ( -1.242 1.839 7.594) 7.912 9.408 ( -6.138 -3.362 -6.385) 9.473 9.408 ( -6.138 -3.362 6.385) 9.473 9.907 ( 6.585 0.985 -8.129) 10.508 9.907 ( 6.585 0.985 8.129) 10.508 10.178 ( -3.577 -1.189 -8.438) 9.242 10.178 ( -3.577 -1.189 8.438) 9.242 10.598 ( 9.282 -6.526 -0.737) 11.370 10.598 ( 9.282 -6.526 0.737) 11.370 10.977 ( -5.305 -0.445 -2.919) 6.072 10.977 ( -5.305 -0.445 2.919) 6.072 11.186 ( -2.372 -0.799 -1.430) 2.883 11.186 ( -2.372 -0.799 1.430) 2.883 11.647 ( 0.601 -1.369 -1.842) 2.372 11.647 ( 0.601 -1.369 1.842) 2.372 11.840 ( 1.409 -5.204 -5.593) 7.768 11.840 ( 1.409 -5.204 5.593) 7.768 12.149 ( -4.713 -0.556 -8.781) 9.982 12.149 ( -4.713 -0.556 8.781) 9.982 12.335 ( -2.031 -5.654 -3.705) 7.058 12.335 ( -2.031 -5.654 3.705) 7.058 13.222 ( 6.485 -11.616 -14.510) 19.685 13.222 ( 6.485 -11.616 14.510) 19.685 14.920 ( 30.343 4.834 -7.269) 31.574 14.920 ( 30.343 4.834 7.269) 31.574 15.976 ( 3.812 -0.200 -10.069) 10.768 15.976 ( 3.812 -0.200 10.069) 10.768 16.372 ( -11.136 -7.771 -7.169) 15.355 16.372 ( -11.136 -7.771 7.169) 15.355 16.699 ( 2.315 0.314 -2.529) 3.443 16.699 ( 2.315 0.314 2.529) 3.443 16.906 ( -0.442 -3.285 -0.187) 3.320 16.906 ( -0.442 -3.285 0.187) 3.320 17.240 ( -10.845 1.996 -2.345) 11.274 17.240 ( -10.845 1.996 2.345) 11.274 17.791 ( -29.544 -3.946 -9.976) 31.431 17.791 ( -29.544 -3.946 9.976) 31.431 17.900 ( -0.134 1.249 -1.135) 1.693 17.900 ( -0.134 1.249 1.135) 1.693 20.029 ( 2.533 -1.088 -4.958) 5.672 20.029 ( 2.533 -1.088 4.958) 5.672 22.256 ( 1.451 14.129 -17.042) 22.185 22.256 ( 1.451 14.129 17.042) 22.185 23.709 ( 14.095 -0.961 -6.036) 15.363 23.709 ( 14.095 -0.961 6.036) 15.363 ======================= Grid point 220 (69/75) ======================= q-point: (-0.22 0.22 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( -0.000 11.474 -15.056) 18.930 1.165 ( -0.000 11.474 15.056) 18.930 1.274 ( -0.000 15.850 -17.401) 23.538 1.274 ( -0.000 15.850 17.401) 23.538 1.594 ( -0.000 1.007 -6.893) 6.966 1.594 ( -0.000 1.007 6.893) 6.966 2.053 ( 0.000 -2.811 -9.182) 9.603 2.053 ( 0.000 -2.811 9.182) 9.603 2.306 ( -0.000 16.184 -15.243) 22.233 2.306 ( -0.000 16.184 15.243) 22.233 2.588 ( -0.000 3.295 -10.643) 11.142 2.588 ( -0.000 3.295 10.643) 11.142 2.648 ( -0.000 7.265 -7.509) 10.449 2.648 ( -0.000 7.265 7.509) 10.449 2.730 ( 0.000 -7.673 -4.181) 8.738 2.730 ( 0.000 -7.673 4.181) 8.738 3.012 ( 0.000 -0.101 -9.311) 9.311 3.012 ( 0.000 -0.101 9.311) 9.311 3.135 ( 0.000 -3.899 -4.414) 5.890 3.135 ( 0.000 -3.899 4.414) 5.890 3.418 ( 0.000 -0.891 -11.480) 11.514 3.418 ( 0.000 -0.891 11.480) 11.514 3.449 ( -0.000 1.272 -1.926) 2.308 3.449 ( -0.000 1.272 1.926) 2.308 3.563 ( 0.000 -5.867 -2.990) 6.585 3.563 ( 0.000 -5.867 2.990) 6.585 3.651 ( -0.000 5.839 -1.916) 6.145 3.651 ( -0.000 5.839 1.916) 6.145 3.700 ( -0.000 0.395 -3.725) 3.746 3.700 ( -0.000 0.395 3.725) 3.746 3.929 ( 0.000 -9.319 -1.349) 9.416 3.929 ( 0.000 -9.319 1.349) 9.416 4.253 ( 0.000 -7.425 -5.886) 9.475 4.253 ( 0.000 -7.425 5.886) 9.475 4.491 ( 0.000 -8.022 -6.984) 10.636 4.491 ( 0.000 -8.022 6.984) 10.636 5.240 ( -0.000 1.243 -11.665) 11.731 5.240 ( -0.000 1.243 11.665) 11.731 5.341 ( 0.000 -0.994 -13.373) 13.410 5.341 ( 0.000 -0.994 13.373) 13.410 6.196 ( -0.000 1.553 -1.907) 2.459 6.196 ( -0.000 1.553 1.907) 2.459 6.336 ( -0.000 4.589 -13.145) 13.923 6.336 ( -0.000 4.589 13.145) 13.923 6.688 ( -0.000 4.828 -8.997) 10.211 6.688 ( -0.000 4.828 8.997) 10.211 7.162 ( -0.000 3.681 -6.339) 7.330 7.162 ( -0.000 3.681 6.339) 7.330 7.384 ( 0.000 -0.570 -10.538) 10.554 7.384 ( 0.000 -0.570 10.538) 10.554 7.847 ( 0.000 -1.625 -13.486) 13.584 7.847 ( 0.000 -1.625 13.486) 13.584 8.198 ( -0.000 2.434 -11.935) 12.180 8.198 ( -0.000 2.434 11.935) 12.180 8.588 ( -0.000 3.180 -2.098) 3.809 8.588 ( -0.000 3.180 2.098) 3.809 9.088 ( -0.000 2.738 -9.698) 10.077 9.088 ( -0.000 2.738 9.698) 10.077 9.391 ( 0.000 -2.518 -6.290) 6.775 9.391 ( 0.000 -2.518 6.290) 6.775 9.964 ( -0.000 0.410 -10.148) 10.156 9.964 ( -0.000 0.410 10.148) 10.156 10.108 ( -0.000 0.602 -12.761) 12.775 10.108 ( -0.000 0.602 12.761) 12.775 10.856 ( 0.000 -11.753 -4.897) 12.733 10.856 ( 0.000 -11.753 4.897) 12.733 10.916 ( 0.000 -1.612 -5.069) 5.319 10.916 ( 0.000 -1.612 5.069) 5.319 11.179 ( 0.000 -1.226 -1.469) 1.913 11.179 ( 0.000 -1.226 1.469) 1.913 11.652 ( 0.000 -0.102 -1.015) 1.020 11.652 ( 0.000 -0.102 1.015) 1.020 11.909 ( 0.000 -5.259 -5.208) 7.402 11.909 ( 0.000 -5.259 5.208) 7.402 12.082 ( 0.000 -0.937 -12.949) 12.982 12.082 ( 0.000 -0.937 12.949) 12.982 12.362 ( 0.000 -4.629 -4.889) 6.733 12.362 ( 0.000 -4.629 4.889) 6.733 13.437 ( 0.000 -19.077 -14.715) 24.093 13.437 ( 0.000 -19.077 14.715) 24.093 15.228 ( -0.000 7.386 -8.378) 11.169 15.228 ( -0.000 7.386 8.378) 11.169 16.050 ( -0.000 1.806 -7.199) 7.422 16.050 ( -0.000 1.806 7.199) 7.422 16.361 ( 0.000 -18.668 -16.240) 24.743 16.361 ( 0.000 -18.668 16.240) 24.743 16.663 ( 0.000 -0.169 -6.205) 6.208 16.663 ( 0.000 -0.169 6.205) 6.208 16.916 ( 0.000 -3.435 -3.228) 4.714 16.916 ( 0.000 -3.435 3.228) 4.714 17.079 ( 0.000 -0.205 -3.469) 3.476 17.079 ( 0.000 -0.205 3.469) 3.476 17.471 ( -0.000 4.219 -8.086) 9.120 17.471 ( -0.000 4.219 8.086) 9.120 17.896 ( -0.000 1.864 -0.957) 2.095 17.896 ( -0.000 1.864 0.957) 2.095 20.063 ( 0.000 -1.448 -5.897) 6.073 20.063 ( 0.000 -1.448 5.897) 6.073 22.129 ( -0.000 20.107 -17.854) 26.890 22.129 ( -0.000 20.107 17.854) 26.890 23.881 ( 0.000 -2.855 -5.140) 5.879 23.881 ( 0.000 -2.855 5.140) 5.879 ======================= Grid point 230 (70/75) ======================= q-point: (-0.67 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.602 ( -3.034 -0.000 -6.436) 7.116 1.602 ( -3.034 -0.000 6.436) 7.116 1.800 ( -0.064 -0.000 -7.733) 7.733 1.800 ( -0.064 -0.000 7.733) 7.733 2.161 ( -1.024 -0.000 -1.277) 1.637 2.161 ( -1.024 -0.000 1.277) 1.637 2.211 ( -6.931 -0.000 -4.484) 8.255 2.211 ( -6.931 -0.000 4.484) 8.255 2.389 ( -3.562 -0.000 -5.277) 6.367 2.389 ( -3.562 -0.000 5.277) 6.367 2.602 ( 4.319 0.000 -2.401) 4.941 2.602 ( 4.319 0.000 2.401) 4.941 2.685 ( 1.970 0.000 -3.259) 3.808 2.685 ( 1.970 0.000 3.259) 3.808 2.848 ( 0.325 0.000 -2.364) 2.386 2.848 ( 0.325 0.000 2.364) 2.386 2.965 ( 4.002 0.000 -3.243) 5.151 2.965 ( 4.002 0.000 3.243) 5.151 3.095 ( 2.862 0.000 -1.913) 3.443 3.095 ( 2.862 0.000 1.913) 3.443 3.215 ( -1.127 -0.000 -3.406) 3.588 3.215 ( -1.127 -0.000 3.406) 3.588 3.335 ( -1.332 -0.000 -1.881) 2.305 3.335 ( -1.332 -0.000 1.881) 2.305 3.631 ( -1.375 -0.000 -1.215) 1.835 3.631 ( -1.375 -0.000 1.215) 1.835 3.932 ( -6.463 -0.000 -3.032) 7.139 3.932 ( -6.463 -0.000 3.032) 7.139 3.950 ( 2.822 0.000 -6.908) 7.462 3.950 ( 2.822 0.000 6.908) 7.462 4.215 ( -1.908 -0.000 -1.925) 2.710 4.215 ( -1.908 -0.000 1.925) 2.710 4.629 ( -4.542 -0.000 -10.459) 11.402 4.629 ( -4.542 -0.000 10.459) 11.402 4.782 ( -9.191 -0.000 -2.540) 9.535 4.782 ( -9.191 -0.000 2.540) 9.535 5.288 ( -21.913 -0.000 -13.744) 25.866 5.288 ( -21.913 -0.000 13.744) 25.866 5.754 ( -8.568 -0.000 -0.058) 8.569 5.754 ( -8.568 -0.000 0.058) 8.569 6.382 ( 1.407 0.000 -4.946) 5.143 6.382 ( 1.407 0.000 4.946) 5.143 6.663 ( -9.117 -0.000 -3.648) 9.820 6.663 ( -9.117 -0.000 3.648) 9.820 6.694 ( -5.243 -0.000 -5.197) 7.382 6.694 ( -5.243 -0.000 5.197) 7.382 7.235 ( -1.733 -0.000 -5.965) 6.211 7.235 ( -1.733 -0.000 5.965) 6.211 7.654 ( 1.833 0.000 -6.354) 6.613 7.654 ( 1.833 0.000 6.354) 6.613 8.270 ( -5.834 -0.000 -9.780) 11.388 8.270 ( -5.834 -0.000 9.780) 11.388 8.381 ( 5.046 0.000 -4.113) 6.510 8.381 ( 5.046 0.000 4.113) 6.510 8.734 ( 9.498 0.000 -11.341) 14.793 8.734 ( 9.498 0.000 11.341) 14.793 8.980 ( -0.653 -0.000 -3.594) 3.652 8.980 ( -0.653 -0.000 3.594) 3.652 9.384 ( 10.177 0.000 -5.096) 11.381 9.384 ( 10.177 0.000 5.096) 11.381 9.935 ( -15.774 -0.000 -11.831) 19.717 9.935 ( -15.774 -0.000 11.831) 19.717 10.253 ( -8.853 -0.000 -2.009) 9.078 10.253 ( -8.853 -0.000 2.009) 9.078 10.892 ( -10.667 -0.000 -6.498) 12.491 10.892 ( -10.667 -0.000 6.498) 12.491 11.207 ( -3.117 -0.000 -1.373) 3.406 11.207 ( -3.117 -0.000 1.373) 3.406 11.309 ( 2.266 0.000 -1.879) 2.944 11.309 ( 2.266 0.000 1.879) 2.944 11.599 ( -13.422 -0.000 -3.992) 14.003 11.599 ( -13.422 -0.000 3.992) 14.003 11.841 ( -2.612 -0.000 -6.473) 6.980 11.841 ( -2.612 -0.000 6.473) 6.980 12.123 ( 1.053 0.000 -1.029) 1.472 12.123 ( 1.053 0.000 1.029) 1.472 12.362 ( 1.250 0.000 -9.585) 9.666 12.362 ( 1.250 0.000 9.585) 9.666 12.910 ( 3.684 0.000 -6.795) 7.729 12.910 ( 3.684 0.000 6.795) 7.729 13.803 ( 22.484 0.000 -6.679) 23.455 13.803 ( 22.484 0.000 6.679) 23.455 15.921 ( -0.076 -0.000 -5.677) 5.678 15.921 ( -0.076 -0.000 5.677) 5.678 16.448 ( 7.031 0.000 -1.041) 7.107 16.448 ( 7.031 0.000 1.041) 7.107 16.746 ( -3.822 -0.000 -4.541) 5.935 16.746 ( -3.822 -0.000 4.541) 5.935 16.967 ( -10.716 -0.000 -4.846) 11.761 16.967 ( -10.716 -0.000 4.846) 11.761 17.452 ( 1.729 0.000 -1.089) 2.044 17.452 ( 1.729 0.000 1.089) 2.044 17.832 ( 2.674 0.000 -0.252) 2.686 17.832 ( 2.674 0.000 0.252) 2.686 18.948 ( -27.177 -0.000 -8.133) 28.368 18.948 ( -27.177 -0.000 8.133) 28.368 19.824 ( 5.356 0.000 -3.096) 6.187 19.824 ( 5.356 0.000 3.096) 6.187 22.401 ( -0.178 -0.000 -10.207) 10.208 22.401 ( -0.178 -0.000 10.207) 10.208 23.078 ( 16.332 0.000 -5.266) 17.160 23.078 ( 16.332 0.000 5.266) 17.160 ======================= Grid point 234 (71/75) ======================= q-point: (-0.56 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.524 ( -4.658 0.639 -6.381) 7.926 1.524 ( -4.658 0.639 6.381) 7.926 1.785 ( -1.213 1.521 -6.436) 6.724 1.785 ( -1.213 1.521 6.436) 6.724 2.050 ( -4.265 7.375 -6.030) 10.438 2.050 ( -4.265 7.375 6.030) 10.438 2.131 ( -3.509 6.198 -7.001) 9.987 2.131 ( -3.509 6.198 7.001) 9.987 2.329 ( -4.185 -9.027 -4.526) 10.931 2.329 ( -4.185 -9.027 4.526) 10.931 2.683 ( 3.647 -0.178 -2.127) 4.226 2.683 ( 3.647 -0.178 2.127) 4.226 2.699 ( -0.122 1.167 -3.132) 3.345 2.699 ( -0.122 1.167 3.132) 3.345 2.863 ( 1.975 0.585 -2.344) 3.120 2.863 ( 1.975 0.585 2.344) 3.120 3.023 ( 1.759 2.268 -3.671) 4.660 3.023 ( 1.759 2.268 3.671) 4.660 3.132 ( 0.674 0.387 -0.824) 1.133 3.132 ( 0.674 0.387 0.824) 1.133 3.218 ( -1.089 -4.144 -2.946) 5.200 3.218 ( -1.089 -4.144 2.946) 5.200 3.326 ( 1.965 0.134 -1.410) 2.422 3.326 ( 1.965 0.134 1.410) 2.422 3.610 ( -1.441 -1.281 -2.337) 3.029 3.610 ( -1.441 -1.281 2.337) 3.029 3.829 ( -2.277 1.948 -3.750) 4.800 3.829 ( -2.277 1.948 3.750) 4.800 3.931 ( -6.283 2.631 -7.174) 9.892 3.931 ( -6.283 2.631 7.174) 9.892 4.162 ( -3.435 -1.303 -5.432) 6.557 4.162 ( -3.435 -1.303 5.432) 6.557 4.353 ( -24.186 -3.140 -8.795) 25.927 4.353 ( -24.186 -3.140 8.795) 25.927 4.568 ( -13.122 0.367 -3.593) 13.610 4.568 ( -13.122 0.367 3.593) 13.610 4.987 ( -3.798 -2.978 -16.623) 17.310 4.987 ( -3.798 -2.978 16.623) 17.310 5.608 ( -8.950 -1.038 -4.007) 9.861 5.608 ( -8.950 -1.038 4.007) 9.861 6.428 ( 2.510 3.704 -2.408) 5.082 6.428 ( 2.510 3.704 2.408) 5.082 6.479 ( -8.374 -0.214 -0.430) 8.388 6.479 ( -8.374 -0.214 0.430) 8.388 6.646 ( 0.854 -0.996 -2.760) 3.056 6.646 ( 0.854 -0.996 2.760) 3.056 7.224 ( 0.718 1.307 -5.033) 5.249 7.224 ( 0.718 1.307 5.033) 5.249 7.654 ( -3.029 0.259 -6.454) 7.134 7.654 ( -3.029 0.259 6.454) 7.134 8.042 ( -11.909 0.032 -16.434) 20.295 8.042 ( -11.909 0.032 16.434) 20.295 8.408 ( -4.030 1.357 -2.455) 4.910 8.408 ( -4.030 1.357 2.455) 4.910 8.805 ( -3.068 0.210 -1.056) 3.252 8.805 ( -3.068 0.210 1.056) 3.252 9.069 ( 8.591 -0.274 -5.825) 10.383 9.069 ( 8.591 -0.274 5.825) 10.383 9.555 ( -9.803 -1.500 -2.168) 10.152 9.555 ( -9.803 -1.500 2.168) 10.152 9.722 ( 11.240 1.715 -0.340) 11.375 9.722 ( 11.240 1.715 0.340) 11.375 10.116 ( -4.861 -2.350 -7.211) 9.009 10.116 ( -4.861 -2.350 7.211) 9.009 10.653 ( -11.914 0.790 -7.804) 14.264 10.653 ( -11.914 0.790 7.804) 14.264 11.124 ( -4.167 2.848 -2.206) 5.508 11.124 ( -4.167 2.848 2.206) 5.508 11.269 ( -9.352 -1.939 -1.901) 9.738 11.269 ( -9.352 -1.939 1.901) 9.738 11.498 ( 3.732 -3.016 -8.197) 9.498 11.498 ( 3.732 -3.016 8.197) 9.498 11.793 ( -2.349 -0.292 -6.582) 6.994 11.793 ( -2.349 -0.292 6.582) 6.994 12.157 ( 1.794 -0.650 -1.163) 2.235 12.157 ( 1.794 -0.650 1.163) 2.235 12.323 ( -5.512 -1.216 -10.006) 11.489 12.323 ( -5.512 -1.216 10.006) 11.489 12.980 ( 3.231 -1.919 -9.475) 10.193 12.980 ( 3.231 -1.919 9.475) 10.193 14.345 ( 32.348 0.340 -7.303) 33.163 14.345 ( 32.348 0.340 7.303) 33.163 15.927 ( 0.779 -0.256 -9.201) 9.237 15.927 ( 0.779 -0.256 9.201) 9.237 16.531 ( -8.160 0.974 -1.394) 8.335 16.531 ( -8.160 0.974 1.394) 8.335 16.625 ( 2.319 -0.736 -1.260) 2.740 16.625 ( 2.319 -0.736 1.260) 2.740 16.859 ( -2.332 -1.648 -1.446) 3.201 16.859 ( -2.332 -1.648 1.446) 3.201 17.437 ( -3.438 1.224 -1.490) 3.942 17.437 ( -3.438 1.224 1.490) 3.942 17.879 ( 2.329 0.335 -0.841) 2.499 17.879 ( 2.329 0.335 0.841) 2.499 18.352 ( -34.108 -1.878 -10.290) 35.676 18.352 ( -34.108 -1.878 10.290) 35.676 19.932 ( 5.254 -0.454 -1.311) 5.435 19.932 ( 5.254 -0.454 1.311) 5.435 22.410 ( 2.028 2.524 -13.840) 14.214 22.410 ( 2.028 2.524 13.840) 14.214 23.403 ( 16.779 0.278 -6.312) 17.929 23.403 ( 16.779 0.278 6.312) 17.929 ======================= Grid point 236 (72/75) ======================= q-point: (-0.44 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 122 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.424 ( -3.693 2.807 -6.247) 7.781 1.424 ( -3.693 2.807 6.247) 7.781 1.713 ( -1.944 7.999 -3.236) 8.846 1.713 ( -1.944 7.999 3.236) 8.846 1.855 ( -10.434 13.579 -9.927) 19.794 1.855 ( -10.434 13.579 9.927) 19.794 1.998 ( -1.393 0.835 -9.567) 9.704 1.998 ( -1.393 0.835 9.567) 9.704 2.401 ( 1.890 -9.917 -3.681) 10.745 2.401 ( 1.890 -9.917 3.681) 10.745 2.650 ( -3.069 2.948 -4.318) 6.062 2.650 ( -3.069 2.948 4.318) 6.062 2.722 ( 1.064 3.217 -4.786) 5.864 2.722 ( 1.064 3.217 4.786) 5.864 2.881 ( -1.681 4.329 -1.966) 5.043 2.881 ( -1.681 4.329 1.966) 5.043 3.003 ( 1.592 0.854 -3.353) 3.809 3.003 ( 1.592 0.854 3.353) 3.809 3.116 ( -2.242 1.019 -2.985) 3.870 3.116 ( -2.242 1.019 2.985) 3.870 3.233 ( 0.568 -5.380 -0.412) 5.426 3.233 ( 0.568 -5.380 0.412) 5.426 3.430 ( 6.012 -2.264 -1.169) 6.530 3.430 ( 6.012 -2.264 1.169) 6.530 3.571 ( -5.364 -0.766 -1.422) 5.602 3.571 ( -5.364 -0.766 1.422) 5.602 3.711 ( -6.118 2.510 -5.090) 8.345 3.711 ( -6.118 2.510 5.090) 8.345 3.797 ( -1.181 1.897 -5.003) 5.480 3.797 ( -1.181 1.897 5.003) 5.480 3.974 ( -15.686 -1.766 -6.843) 17.205 3.974 ( -15.686 -1.766 6.843) 17.205 4.123 ( -3.456 -4.886 -8.035) 10.019 4.123 ( -3.456 -4.886 8.035) 10.019 4.365 ( -6.877 -2.697 -6.174) 9.628 4.365 ( -6.877 -2.697 6.174) 9.628 5.075 ( 5.645 -6.498 -15.653) 17.864 5.075 ( 5.645 -6.498 15.653) 17.864 5.423 ( -10.460 -1.394 -8.020) 13.254 5.423 ( -10.460 -1.394 8.020) 13.254 6.298 ( -6.690 0.846 -2.755) 7.284 6.298 ( -6.690 0.846 2.755) 7.284 6.462 ( 2.515 5.965 -9.442) 11.449 6.462 ( 2.515 5.965 9.442) 11.449 6.727 ( 6.036 1.406 -8.569) 10.576 6.727 ( 6.036 1.406 8.569) 10.576 7.230 ( 1.107 2.143 -5.378) 5.894 7.230 ( 1.107 2.143 5.378) 5.894 7.507 ( -10.536 0.112 -9.994) 14.522 7.507 ( -10.536 0.112 9.994) 14.522 7.877 ( -5.851 -0.289 -13.207) 14.448 7.877 ( -5.851 -0.289 13.207) 14.448 8.273 ( -6.263 0.250 -10.475) 12.207 8.273 ( -6.263 0.250 10.475) 12.207 8.710 ( -4.624 1.598 -0.404) 4.909 8.710 ( -4.624 1.598 0.404) 4.909 9.175 ( 0.654 1.652 -6.124) 6.376 9.175 ( 0.654 1.652 6.124) 6.376 9.364 ( -4.746 -1.809 -1.762) 5.376 9.364 ( -4.746 -1.809 1.762) 5.376 9.943 ( 6.906 2.589 -3.133) 8.013 9.943 ( 6.906 2.589 3.133) 8.013 10.144 ( 1.769 -2.691 -8.712) 9.288 10.144 ( 1.769 -2.691 8.712) 9.288 10.519 ( 1.059 -2.861 -7.354) 7.962 10.519 ( 1.059 -2.861 7.354) 7.962 10.971 ( -8.178 -0.310 -3.059) 8.737 10.971 ( -8.178 -0.310 3.059) 8.737 11.184 ( -1.001 0.413 -1.144) 1.575 11.184 ( -1.001 0.413 1.144) 1.575 11.612 ( 3.646 -2.629 -3.150) 5.489 11.612 ( 3.646 -2.629 3.150) 5.489 11.766 ( -1.211 -3.054 -7.377) 8.075 11.766 ( -1.211 -3.054 7.377) 8.075 12.147 ( -5.340 0.475 -8.520) 10.066 12.147 ( -5.340 0.475 8.520) 10.066 12.244 ( -1.817 -4.943 -1.770) 5.555 12.244 ( -1.817 -4.943 1.770) 5.555 13.075 ( 3.169 -5.868 -12.015) 13.742 13.075 ( 3.169 -5.868 12.015) 13.742 14.978 ( 32.074 2.267 -6.355) 32.776 14.978 ( 32.074 2.267 6.355) 32.776 15.966 ( 3.204 -0.852 -10.534) 11.044 15.966 ( 3.204 -0.852 10.534) 11.044 16.291 ( -13.095 -2.358 -5.771) 14.504 16.291 ( -13.095 -2.358 5.771) 14.504 16.709 ( 1.535 0.716 -3.263) 3.676 16.709 ( 1.535 0.716 3.263) 3.676 16.856 ( -0.130 -2.398 -0.989) 2.597 16.856 ( -0.130 -2.398 0.989) 2.597 17.260 ( -14.460 0.628 -1.679) 14.571 17.260 ( -14.460 0.628 1.679) 14.571 17.773 ( -21.042 0.599 -10.768) 23.645 17.773 ( -21.042 0.599 10.768) 23.645 17.917 ( 0.903 0.589 -0.430) 1.161 17.917 ( 0.903 0.589 0.430) 1.161 20.019 ( 3.098 -0.308 -3.190) 4.458 20.019 ( 3.098 -0.308 3.190) 4.458 22.420 ( 2.124 6.081 -15.670) 16.942 22.420 ( 2.124 6.081 15.670) 16.942 23.691 ( 11.916 -0.983 -5.679) 13.237 23.691 ( 11.916 -0.983 5.679) 13.237 ======================= Grid point 238 (73/75) ======================= q-point: (-0.33 0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.348 ( -0.000 7.967 -7.832) 11.172 1.348 ( -0.000 7.967 7.832) 11.172 1.554 ( -0.000 17.051 -12.717) 21.271 1.554 ( -0.000 17.051 12.717) 21.271 1.649 ( -0.000 6.309 -1.171) 6.417 1.649 ( -0.000 6.309 1.171) 6.417 2.005 ( 0.000 -2.144 -10.531) 10.747 2.005 ( 0.000 -2.144 10.531) 10.747 2.533 ( 0.000 -10.751 -3.850) 11.419 2.533 ( 0.000 -10.751 3.850) 11.419 2.536 ( -0.000 9.928 -4.767) 11.013 2.536 ( -0.000 9.928 4.767) 11.013 2.692 ( -0.000 4.095 -9.288) 10.151 2.692 ( -0.000 4.095 9.288) 10.151 2.782 ( -0.000 8.482 -4.046) 9.397 2.782 ( -0.000 8.482 4.046) 9.397 3.058 ( -0.000 4.760 -7.819) 9.154 3.058 ( -0.000 4.760 7.819) 9.154 3.061 ( 0.000 -4.779 -5.883) 7.580 3.061 ( 0.000 -4.779 5.883) 7.580 3.316 ( 0.000 -9.298 -4.513) 10.335 3.316 ( 0.000 -9.298 4.513) 10.335 3.477 ( -0.000 1.954 -2.201) 2.943 3.477 ( -0.000 1.954 2.201) 2.943 3.524 ( -0.000 0.222 -1.582) 1.597 3.524 ( -0.000 0.222 1.582) 1.597 3.705 ( -0.000 0.140 -3.732) 3.735 3.705 ( -0.000 0.140 3.732) 3.735 3.727 ( 0.000 -0.083 -5.290) 5.291 3.727 ( 0.000 -0.083 5.290) 5.291 3.820 ( 0.000 -0.830 -6.176) 6.231 3.820 ( 0.000 -0.830 6.176) 6.231 4.130 ( 0.000 -6.872 -7.958) 10.514 4.130 ( 0.000 -6.872 7.958) 10.514 4.353 ( 0.000 -7.129 -7.401) 10.276 4.353 ( 0.000 -7.129 7.401) 10.276 5.255 ( 0.000 -8.467 -18.162) 20.038 5.255 ( 0.000 -8.467 18.162) 20.038 5.261 ( -0.000 1.095 -8.072) 8.146 5.261 ( -0.000 1.095 8.072) 8.146 6.220 ( -0.000 1.292 -3.239) 3.487 6.220 ( -0.000 1.292 3.239) 3.487 6.435 ( -0.000 6.704 -11.930) 13.685 6.435 ( -0.000 6.704 11.930) 13.685 6.776 ( -0.000 5.058 -8.909) 10.245 6.776 ( -0.000 5.058 8.909) 10.245 7.221 ( -0.000 3.071 -6.068) 6.800 7.221 ( -0.000 3.071 6.068) 6.800 7.374 ( 0.000 -0.533 -11.476) 11.488 7.374 ( 0.000 -0.533 11.476) 11.488 7.820 ( 0.000 -1.466 -11.313) 11.408 7.820 ( 0.000 -1.466 11.313) 11.408 8.217 ( 0.000 -0.125 -13.153) 13.153 8.217 ( 0.000 -0.125 13.153) 13.153 8.640 ( -0.000 2.793 -1.420) 3.133 8.640 ( -0.000 2.793 1.420) 3.133 9.133 ( -0.000 2.414 -10.072) 10.358 9.133 ( -0.000 2.414 10.072) 10.358 9.357 ( 0.000 -1.207 -5.047) 5.189 9.357 ( 0.000 -1.207 5.047) 5.189 9.995 ( -0.000 2.788 -6.041) 6.653 9.995 ( -0.000 2.788 6.041) 6.653 10.119 ( -0.000 0.621 -11.100) 11.117 10.119 ( -0.000 0.621 11.100) 11.117 10.664 ( 0.000 -10.349 -3.990) 11.091 10.664 ( 0.000 -10.349 3.990) 11.091 10.888 ( 0.000 -1.595 -5.290) 5.525 10.888 ( 0.000 -1.595 5.290) 5.525 11.175 ( -0.000 0.569 -2.127) 2.202 11.175 ( -0.000 0.569 2.127) 2.202 11.651 ( 0.000 -0.068 -0.995) 0.998 11.651 ( 0.000 -0.068 0.995) 0.998 11.807 ( 0.000 -6.422 -8.075) 10.318 11.807 ( 0.000 -6.422 8.075) 10.318 12.067 ( 0.000 -0.806 -12.410) 12.436 12.067 ( 0.000 -0.806 12.410) 12.436 12.278 ( 0.000 -5.016 -3.366) 6.041 12.278 ( 0.000 -5.016 3.366) 6.041 13.184 ( 0.000 -11.064 -13.889) 17.757 13.184 ( 0.000 -11.064 13.889) 17.757 15.336 ( -0.000 5.307 -6.707) 8.552 15.336 ( -0.000 5.307 6.707) 8.552 16.080 ( -0.000 1.641 -7.043) 7.231 16.080 ( -0.000 1.641 7.043) 7.231 16.124 ( 0.000 -10.055 -13.441) 16.785 16.124 ( 0.000 -10.055 13.441) 16.785 16.660 ( 0.000 -0.186 -6.204) 6.207 16.660 ( 0.000 -0.186 6.204) 6.207 16.866 ( 0.000 -2.355 -2.773) 3.638 16.866 ( 0.000 -2.355 2.773) 3.638 17.076 ( 0.000 -0.200 -3.494) 3.500 17.076 ( 0.000 -0.200 3.494) 3.500 17.557 ( -0.000 5.265 -8.391) 9.906 17.557 ( -0.000 5.265 8.391) 9.906 17.922 ( -0.000 1.122 -0.775) 1.363 17.922 ( -0.000 1.122 0.775) 1.363 20.051 ( 0.000 -0.243 -4.580) 4.586 20.051 ( 0.000 -0.243 4.580) 4.586 22.375 ( -0.000 10.109 -16.903) 19.695 22.375 ( -0.000 10.109 16.903) 19.695 23.833 ( 0.000 -2.673 -5.206) 5.852 23.833 ( 0.000 -2.673 5.206) 5.852 ======================= Grid point 252 (74/75) ======================= q-point: (-0.56 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.444 ( -3.071 -0.000 -7.335) 7.952 1.444 ( -3.071 -0.000 7.335) 7.952 1.776 ( -0.568 -0.000 -5.535) 5.564 1.776 ( -0.568 -0.000 5.535) 5.564 2.011 ( -2.713 -0.000 -4.829) 5.539 2.011 ( -2.713 -0.000 4.829) 5.539 2.031 ( -12.974 -0.000 -4.168) 13.627 2.031 ( -12.974 -0.000 4.168) 13.627 2.259 ( 4.189 0.000 -1.903) 4.601 2.259 ( 4.189 0.000 1.903) 4.601 2.674 ( -2.387 -0.000 -4.860) 5.414 2.674 ( -2.387 -0.000 4.860) 5.414 2.759 ( 2.621 0.000 -0.520) 2.672 2.759 ( 2.621 0.000 0.520) 2.672 2.906 ( 2.447 0.000 -1.431) 2.834 2.906 ( 2.447 0.000 1.431) 2.834 3.038 ( -2.043 -0.000 -0.687) 2.156 3.038 ( -2.043 -0.000 0.687) 2.156 3.096 ( -3.156 -0.000 -1.527) 3.506 3.096 ( -3.156 -0.000 1.527) 3.506 3.191 ( -0.098 -0.000 -2.009) 2.011 3.191 ( -0.098 -0.000 2.009) 2.011 3.414 ( 6.874 0.000 -1.457) 7.027 3.414 ( 6.874 0.000 1.457) 7.027 3.558 ( -2.923 -0.000 -2.085) 3.590 3.558 ( -2.923 -0.000 2.085) 3.590 3.741 ( -11.289 -0.000 -4.297) 12.079 3.741 ( -11.289 -0.000 4.297) 12.079 3.806 ( -2.718 -0.000 -3.506) 4.437 3.806 ( -2.718 -0.000 3.506) 4.437 3.960 ( -10.205 -0.000 -4.488) 11.149 3.960 ( -10.205 -0.000 4.488) 11.149 4.085 ( -4.665 -0.000 -8.394) 9.603 4.085 ( -4.665 -0.000 8.394) 9.603 4.352 ( -8.030 -0.000 -6.417) 10.279 4.352 ( -8.030 -0.000 6.417) 10.279 5.006 ( 5.081 0.000 -19.191) 19.853 5.006 ( 5.081 0.000 19.191) 19.853 5.412 ( -10.240 -0.000 -5.967) 11.851 5.412 ( -10.240 -0.000 5.967) 11.851 6.305 ( -6.626 -0.000 -3.127) 7.327 6.305 ( -6.626 -0.000 3.127) 7.327 6.521 ( 2.226 0.000 -7.993) 8.298 6.521 ( 2.226 0.000 7.993) 8.298 6.734 ( 7.872 0.000 -9.691) 12.485 6.734 ( 7.872 0.000 9.691) 12.485 7.248 ( 1.067 0.000 -4.987) 5.100 7.248 ( 1.067 0.000 4.987) 5.100 7.508 ( -10.674 -0.000 -9.872) 14.539 7.508 ( -10.674 -0.000 9.872) 14.539 7.875 ( -6.333 -0.000 -12.645) 14.142 7.875 ( -6.333 -0.000 12.645) 14.142 8.273 ( -7.279 -0.000 -11.838) 13.897 8.273 ( -7.279 -0.000 11.838) 13.897 8.724 ( -4.232 -0.000 -0.210) 4.237 8.724 ( -4.232 -0.000 0.210) 4.237 9.191 ( 1.342 0.000 -6.166) 6.311 9.191 ( 1.342 0.000 6.166) 6.311 9.349 ( -4.071 -0.000 -2.648) 4.856 9.349 ( -4.071 -0.000 2.648) 4.856 9.970 ( 6.510 0.000 -1.039) 6.593 9.970 ( 6.510 0.000 1.039) 6.593 10.114 ( 4.452 0.000 -10.486) 11.392 10.114 ( 4.452 0.000 10.486) 11.392 10.497 ( -2.352 -0.000 -9.593) 9.877 10.497 ( -2.352 -0.000 9.593) 9.877 10.968 ( -9.507 -0.000 -3.305) 10.065 10.968 ( -9.507 -0.000 3.305) 10.065 11.190 ( -0.271 -0.000 -0.798) 0.842 11.190 ( -0.271 -0.000 0.798) 0.842 11.583 ( 5.199 0.000 -4.528) 6.894 11.583 ( 5.199 0.000 4.528) 6.894 11.742 ( -2.562 -0.000 -7.087) 7.536 11.742 ( -2.562 -0.000 7.087) 7.536 12.162 ( -8.880 -0.000 -11.036) 14.165 12.162 ( -8.880 -0.000 11.036) 14.165 12.189 ( 1.478 0.000 -1.540) 2.135 12.189 ( 1.478 0.000 1.540) 2.135 13.027 ( 2.373 0.000 -10.817) 11.074 13.027 ( 2.373 0.000 10.817) 11.074 14.997 ( 32.763 0.000 -5.531) 33.227 14.997 ( 32.763 0.000 5.531) 33.227 15.957 ( 2.517 0.000 -10.993) 11.277 15.957 ( 2.517 0.000 10.993) 11.277 16.275 ( -13.214 -0.000 -5.598) 14.351 16.275 ( -13.214 -0.000 5.598) 14.351 16.716 ( 1.167 0.000 -3.815) 3.990 16.716 ( 1.167 0.000 3.815) 3.990 16.835 ( 0.106 0.000 -1.565) 1.569 16.835 ( 0.106 0.000 1.565) 1.569 17.265 ( -15.668 -0.000 -0.518) 15.677 17.265 ( -15.668 -0.000 0.518) 15.677 17.782 ( -18.148 -0.000 -10.952) 21.197 17.782 ( -18.148 -0.000 10.952) 21.197 17.921 ( 1.030 0.000 -0.366) 1.093 17.921 ( 1.030 0.000 0.366) 1.093 20.016 ( 3.321 0.000 -1.791) 3.774 20.016 ( 3.321 0.000 1.791) 3.774 22.469 ( 2.338 0.000 -14.952) 15.134 22.469 ( 2.338 0.000 14.952) 15.134 23.682 ( 11.152 0.000 -5.469) 12.421 23.682 ( 11.152 0.000 5.469) 12.421 ======================= Grid point 256 (75/75) ======================= q-point: (-0.44 0.44 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 2.86e-04 2.86e-04 2.86e-04 2.86e-04 3.39e-05 3.39e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 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: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -0.000 1.336 -7.999) 8.109 1.416 ( -0.000 1.336 7.999) 8.109 1.757 ( -0.000 4.184 -4.626) 6.237 1.757 ( -0.000 4.184 4.626) 6.237 1.803 ( -0.000 10.762 -6.698) 12.676 1.803 ( -0.000 10.762 6.698) 12.676 1.993 ( -0.000 0.434 -7.788) 7.801 1.993 ( -0.000 0.434 7.788) 7.801 2.350 ( 0.000 -8.822 -4.623) 9.959 2.350 ( 0.000 -8.822 4.623) 9.959 2.632 ( -0.000 2.317 -6.365) 6.774 2.632 ( -0.000 2.317 6.365) 6.774 2.763 ( -0.000 3.157 -5.209) 6.091 2.763 ( -0.000 3.157 5.209) 6.091 2.916 ( -0.000 6.739 -2.961) 7.360 2.916 ( -0.000 6.739 2.961) 7.360 2.990 ( 0.000 -3.071 -6.253) 6.966 2.990 ( 0.000 -3.071 6.253) 6.966 3.096 ( 0.000 -2.342 -2.502) 3.427 3.096 ( 0.000 -2.342 2.502) 3.427 3.201 ( 0.000 -2.279 -1.699) 2.843 3.201 ( 0.000 -2.279 1.699) 2.843 3.505 ( -0.000 1.126 -2.441) 2.688 3.505 ( -0.000 1.126 2.441) 2.688 3.526 ( 0.000 -0.181 -3.248) 3.253 3.526 ( 0.000 -0.181 3.248) 3.253 3.675 ( 0.000 -2.411 -2.146) 3.228 3.675 ( 0.000 -2.411 2.146) 3.228 3.705 ( 0.000 -0.054 -3.317) 3.318 3.705 ( 0.000 -0.054 3.317) 3.318 3.870 ( -0.000 2.798 -3.663) 4.609 3.870 ( -0.000 2.798 3.663) 4.609 4.044 ( 0.000 -2.904 -9.168) 9.617 4.044 ( 0.000 -2.904 9.168) 9.617 4.283 ( 0.000 -1.414 -8.327) 8.446 4.283 ( 0.000 -1.414 8.327) 8.446 5.117 ( 0.000 -5.907 -23.620) 24.347 5.117 ( 0.000 -5.907 23.620) 24.347 5.274 ( -0.000 0.430 -3.352) 3.380 5.274 ( -0.000 0.430 3.352) 3.380 6.236 ( -0.000 0.505 -4.010) 4.041 6.236 ( -0.000 0.505 4.010) 4.041 6.527 ( -0.000 3.421 -9.786) 10.367 6.527 ( -0.000 3.421 9.786) 10.367 6.837 ( -0.000 1.954 -10.797) 10.973 6.837 ( -0.000 1.954 10.797) 10.973 7.256 ( -0.000 1.084 -5.431) 5.538 7.256 ( -0.000 1.084 5.431) 5.538 7.368 ( 0.000 -0.227 -12.200) 12.202 7.368 ( 0.000 -0.227 12.200) 12.202 7.802 ( 0.000 -0.586 -9.778) 9.795 7.802 ( 0.000 -0.586 9.778) 9.795 8.206 ( 0.000 -0.627 -14.548) 14.561 8.206 ( 0.000 -0.627 14.548) 14.561 8.674 ( -0.000 1.104 -0.918) 1.436 8.674 ( -0.000 1.104 0.918) 1.436 9.162 ( -0.000 0.953 -10.355) 10.398 9.162 ( -0.000 0.953 10.355) 10.398 9.350 ( 0.000 -0.007 -1.802) 1.802 9.350 ( 0.000 -0.007 1.802) 1.802 10.034 ( -0.000 1.426 -2.255) 2.668 10.034 ( -0.000 1.426 2.255) 2.668 10.127 ( -0.000 0.276 -9.696) 9.700 10.127 ( -0.000 0.276 9.696) 9.700 10.539 ( 0.000 -4.092 -10.637) 11.397 10.539 ( 0.000 -4.092 10.637) 11.397 10.868 ( 0.000 -0.682 -5.488) 5.530 10.868 ( 0.000 -0.682 5.488) 5.530 11.189 ( -0.000 0.779 -1.440) 1.637 11.189 ( -0.000 0.779 1.440) 1.637 11.650 ( 0.000 -0.022 -0.961) 0.961 11.650 ( 0.000 -0.022 0.961) 0.961 11.720 ( 0.000 -3.224 -9.215) 9.763 11.720 ( 0.000 -3.224 9.215) 9.763 12.057 ( 0.000 -0.314 -12.060) 12.064 12.057 ( 0.000 -0.314 12.060) 12.064 12.214 ( 0.000 -2.200 -1.940) 2.933 12.214 ( 0.000 -2.200 1.940) 2.933 13.066 ( 0.000 -3.403 -11.746) 12.229 13.066 ( 0.000 -3.403 11.746) 12.229 15.398 ( -0.000 1.992 -3.655) 4.163 15.398 ( -0.000 1.992 3.655) 4.163 16.016 ( 0.000 -3.202 -10.731) 11.198 16.016 ( 0.000 -3.202 10.731) 11.198 16.100 ( -0.000 0.664 -6.925) 6.957 16.100 ( -0.000 0.664 6.925) 6.957 16.658 ( 0.000 -0.085 -6.187) 6.188 16.658 ( 0.000 -0.085 6.187) 6.188 16.840 ( 0.000 -0.792 -2.696) 2.810 16.840 ( 0.000 -0.792 2.696) 2.810 17.073 ( 0.000 -0.084 -3.510) 3.511 17.073 ( 0.000 -0.084 3.510) 3.511 17.624 ( -0.000 2.292 -8.335) 8.644 17.624 ( -0.000 2.292 8.335) 8.644 17.932 ( -0.000 0.251 -0.600) 0.651 17.932 ( -0.000 0.251 0.600) 0.651 20.049 ( -0.000 0.013 -2.871) 2.871 20.049 ( -0.000 0.013 2.871) 2.871 22.481 ( -0.000 3.044 -15.447) 15.744 22.481 ( -0.000 3.044 15.447) 15.744 23.800 ( 0.000 -1.092 -4.965) 5.084 23.800 ( 0.000 -1.092 4.965) 5.084 =================== 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 3/33048 10.0 486.097 649.018 460.605 0.000 0.000 -0.000 3/33048 20.0 75.019 67.763 55.462 0.000 0.000 -0.000 3/33048 30.0 29.204 24.682 22.284 0.000 0.000 -0.000 3/33048 40.0 16.877 13.967 13.262 0.000 0.000 -0.000 3/33048 50.0 11.722 9.559 9.340 0.000 0.000 -0.000 3/33048 60.0 9.002 7.220 7.210 0.000 0.000 -0.000 3/33048 70.0 7.349 5.783 5.889 0.000 0.000 -0.000 3/33048 80.0 6.245 4.817 4.997 0.000 0.000 -0.000 3/33048 90.0 5.457 4.126 4.354 0.000 0.000 -0.000 3/33048 100.0 4.866 3.610 3.869 0.000 0.000 -0.000 3/33048 110.0 4.407 3.210 3.490 0.000 0.000 -0.000 3/33048 120.0 4.039 2.892 3.185 0.000 0.000 -0.000 3/33048 130.0 3.738 2.634 2.934 0.000 0.000 -0.000 3/33048 140.0 3.485 2.420 2.723 0.000 0.000 -0.000 3/33048 150.0 3.270 2.241 2.542 0.000 0.000 -0.000 3/33048 160.0 3.085 2.088 2.386 0.000 0.000 -0.000 3/33048 170.0 2.923 1.956 2.250 0.000 0.000 -0.000 3/33048 180.0 2.780 1.840 2.129 0.000 0.000 -0.000 3/33048 190.0 2.652 1.739 2.022 0.000 0.000 -0.000 3/33048 200.0 2.537 1.649 1.925 0.000 0.000 -0.000 3/33048 210.0 2.433 1.569 1.838 0.000 0.000 -0.000 3/33048 220.0 2.339 1.497 1.759 0.000 0.000 -0.000 3/33048 230.0 2.252 1.431 1.686 0.000 0.000 -0.000 3/33048 240.0 2.171 1.372 1.620 0.000 0.000 -0.000 3/33048 250.0 2.097 1.317 1.559 0.000 0.000 -0.000 3/33048 260.0 2.028 1.267 1.502 0.000 0.000 -0.000 3/33048 270.0 1.964 1.221 1.449 0.000 0.000 -0.000 3/33048 280.0 1.904 1.178 1.401 0.000 0.000 -0.000 3/33048 290.0 1.847 1.139 1.355 0.000 0.000 -0.000 3/33048 300.0 1.794 1.102 1.312 0.000 0.000 -0.000 3/33048 310.0 1.744 1.067 1.272 0.000 0.000 -0.000 3/33048 320.0 1.697 1.035 1.235 0.000 0.000 -0.000 3/33048 330.0 1.652 1.005 1.199 0.000 0.000 -0.000 3/33048 340.0 1.610 0.976 1.166 0.000 0.000 -0.000 3/33048 350.0 1.569 0.949 1.134 0.000 0.000 -0.000 3/33048 360.0 1.531 0.924 1.104 0.000 0.000 -0.000 3/33048 370.0 1.494 0.899 1.076 0.000 0.000 -0.000 3/33048 380.0 1.459 0.877 1.049 0.000 0.000 -0.000 3/33048 390.0 1.426 0.855 1.023 0.000 0.000 -0.000 3/33048 400.0 1.394 0.834 0.998 0.000 0.000 -0.000 3/33048 410.0 1.364 0.815 0.975 0.000 0.000 -0.000 3/33048 420.0 1.334 0.796 0.953 0.000 0.000 -0.000 3/33048 430.0 1.306 0.778 0.932 0.000 0.000 -0.000 3/33048 440.0 1.280 0.761 0.911 0.000 0.000 -0.000 3/33048 450.0 1.254 0.745 0.892 0.000 0.000 -0.000 3/33048 460.0 1.229 0.729 0.873 0.000 0.000 -0.000 3/33048 470.0 1.205 0.714 0.855 0.000 0.000 -0.000 3/33048 480.0 1.182 0.699 0.838 0.000 0.000 -0.000 3/33048 490.0 1.160 0.686 0.822 0.000 0.000 -0.000 3/33048 500.0 1.139 0.672 0.806 0.000 0.000 -0.000 3/33048 510.0 1.118 0.660 0.791 0.000 0.000 -0.000 3/33048 520.0 1.098 0.647 0.776 0.000 0.000 -0.000 3/33048 530.0 1.079 0.635 0.762 0.000 0.000 -0.000 3/33048 540.0 1.060 0.624 0.748 0.000 0.000 -0.000 3/33048 550.0 1.043 0.613 0.735 0.000 0.000 -0.000 3/33048 560.0 1.025 0.602 0.722 0.000 0.000 -0.000 3/33048 570.0 1.008 0.592 0.710 0.000 0.000 -0.000 3/33048 580.0 0.992 0.582 0.698 0.000 0.000 -0.000 3/33048 590.0 0.976 0.572 0.686 0.000 0.000 -0.000 3/33048 600.0 0.961 0.563 0.675 0.000 0.000 -0.000 3/33048 610.0 0.946 0.554 0.664 0.000 0.000 -0.000 3/33048 620.0 0.932 0.545 0.654 0.000 0.000 -0.000 3/33048 630.0 0.918 0.537 0.644 0.000 0.000 -0.000 3/33048 640.0 0.904 0.529 0.634 0.000 0.000 -0.000 3/33048 650.0 0.891 0.521 0.625 0.000 0.000 -0.000 3/33048 660.0 0.878 0.513 0.615 0.000 0.000 -0.000 3/33048 670.0 0.866 0.506 0.606 0.000 0.000 -0.000 3/33048 680.0 0.854 0.498 0.598 0.000 0.000 -0.000 3/33048 690.0 0.842 0.491 0.589 0.000 0.000 -0.000 3/33048 700.0 0.831 0.484 0.581 0.000 0.000 -0.000 3/33048 710.0 0.819 0.478 0.573 0.000 0.000 -0.000 3/33048 720.0 0.809 0.471 0.565 0.000 0.000 -0.000 3/33048 730.0 0.798 0.465 0.557 0.000 0.000 -0.000 3/33048 740.0 0.788 0.459 0.550 0.000 0.000 -0.000 3/33048 750.0 0.778 0.453 0.543 0.000 0.000 -0.000 3/33048 760.0 0.768 0.447 0.536 0.000 0.000 -0.000 3/33048 770.0 0.758 0.441 0.529 0.000 0.000 -0.000 3/33048 780.0 0.749 0.436 0.522 0.000 0.000 -0.000 3/33048 790.0 0.740 0.430 0.516 0.000 0.000 -0.000 3/33048 800.0 0.731 0.425 0.510 0.000 0.000 -0.000 3/33048 810.0 0.722 0.420 0.503 0.000 0.000 -0.000 3/33048 820.0 0.714 0.415 0.497 0.000 0.000 -0.000 3/33048 830.0 0.705 0.410 0.491 0.000 0.000 -0.000 3/33048 840.0 0.697 0.405 0.486 0.000 0.000 -0.000 3/33048 850.0 0.689 0.400 0.480 0.000 0.000 -0.000 3/33048 860.0 0.682 0.396 0.475 0.000 0.000 -0.000 3/33048 870.0 0.674 0.391 0.469 0.000 0.000 -0.000 3/33048 880.0 0.667 0.387 0.464 0.000 0.000 -0.000 3/33048 890.0 0.659 0.383 0.459 0.000 0.000 -0.000 3/33048 900.0 0.652 0.378 0.454 0.000 0.000 -0.000 3/33048 910.0 0.645 0.374 0.449 0.000 0.000 -0.000 3/33048 920.0 0.639 0.370 0.444 0.000 0.000 -0.000 3/33048 930.0 0.632 0.366 0.439 0.000 0.000 -0.000 3/33048 940.0 0.625 0.362 0.435 0.000 0.000 -0.000 3/33048 950.0 0.619 0.359 0.430 0.000 0.000 -0.000 3/33048 960.0 0.613 0.355 0.426 0.000 0.000 -0.000 3/33048 970.0 0.607 0.351 0.421 0.000 0.000 -0.000 3/33048 980.0 0.601 0.348 0.417 0.000 0.000 -0.000 3/33048 990.0 0.595 0.344 0.413 0.000 0.000 -0.000 3/33048 1000.0 0.589 0.341 0.409 0.000 0.000 -0.000 3/33048 Thermal conductivity related properties were written into "kappa-m994.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 14:42:31]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|