----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 05:26:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.677168050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.161640029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.709587019999999 Atomic positions (fractional): *1 O 0.35420548216274 0.93424244457905 0.00000000000000 15.999 2 O 0.64579451783726 0.06575755542095 0.00000000000000 15.999 3 O 0.85420548216274 0.56575755542095 0.00000000000000 15.999 4 O 0.14579451783726 0.43424244457905 0.00000000000000 15.999 *5 O 0.36245123514945 0.91308205537815 0.50000000000000 15.999 6 O 0.63754876485055 0.08691794462185 0.50000000000000 15.999 7 O 0.86245123514945 0.58691794462185 0.50000000000000 15.999 8 O 0.13754876485055 0.41308205537815 0.50000000000000 15.999 *9 O 0.87571337707978 0.29311768177882 0.24945626566039 15.999 10 O 0.12428662292022 0.70688231822118 0.24945626566039 15.999 11 O 0.37571337707978 0.20688231822118 0.75054373433961 15.999 12 O 0.62428662292022 0.79311768177882 0.75054373433961 15.999 *13 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 14 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 15 O 0.37571337707978 0.20688231822118 0.24945626566039 15.999 16 O 0.62428662292022 0.79311768177882 0.24945626566039 15.999 17 O 0.87571337707978 0.29311768177882 0.75054373433961 15.999 18 O 0.12428662292022 0.70688231822118 0.75054373433961 15.999 *19 Al 0.14763267899522 0.83736557505226 0.50000000000000 26.982 20 Al 0.85236732100478 0.16263442494774 0.50000000000000 26.982 21 Al 0.64763267899522 0.66263442494774 0.50000000000000 26.982 22 Al 0.35236732100478 0.33736557505226 0.50000000000000 26.982 *23 Al 0.00000000000000 0.50000000000000 0.25995181275961 26.982 24 Al 0.50000000000000 0.00000000000000 0.74004818724039 26.982 25 Al 0.00000000000000 0.50000000000000 0.74004818724039 26.982 26 Al 0.50000000000000 0.00000000000000 0.25995181275961 26.982 *27 Bi 0.33450547081346 0.66742001260668 0.00000000000000 208.980 28 Bi 0.66549452918654 0.33257998739332 0.00000000000000 208.980 29 Bi 0.83450547081346 0.83257998739332 0.00000000000000 208.980 30 Bi 0.16549452918654 0.16742001260668 0.00000000000000 208.980 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.677168050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.161640029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.709587019999999 Atomic positions (fractional): *1 O 0.35420548216274 0.93424244457905 0.00000000000000 15.999 > 1 2 O 0.64579451783726 0.06575755542095 0.00000000000000 15.999 > 2 3 O 0.85420548216274 0.56575755542095 0.00000000000000 15.999 > 3 4 O 0.14579451783726 0.43424244457905 0.00000000000000 15.999 > 4 *5 O 0.36245123514945 0.91308205537815 0.50000000000000 15.999 > 5 6 O 0.63754876485055 0.08691794462185 0.50000000000000 15.999 > 6 7 O 0.86245123514945 0.58691794462185 0.50000000000000 15.999 > 7 8 O 0.13754876485055 0.41308205537815 0.50000000000000 15.999 > 8 *9 O 0.87571337707978 0.29311768177882 0.24945626566039 15.999 > 9 10 O 0.12428662292022 0.70688231822118 0.24945626566039 15.999 > 10 11 O 0.37571337707978 0.20688231822118 0.75054373433961 15.999 > 11 12 O 0.62428662292022 0.79311768177882 0.75054373433961 15.999 > 12 *13 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 > 13 14 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 > 14 15 O 0.37571337707978 0.20688231822118 0.24945626566039 15.999 > 15 16 O 0.62428662292022 0.79311768177882 0.24945626566039 15.999 > 16 17 O 0.87571337707978 0.29311768177882 0.75054373433961 15.999 > 17 18 O 0.12428662292022 0.70688231822118 0.75054373433961 15.999 > 18 *19 Al 0.14763267899522 0.83736557505226 0.50000000000000 26.982 > 19 20 Al 0.85236732100478 0.16263442494774 0.50000000000000 26.982 > 20 21 Al 0.64763267899522 0.66263442494774 0.50000000000000 26.982 > 21 22 Al 0.35236732100478 0.33736557505226 0.50000000000000 26.982 > 22 *23 Al 0.00000000000000 0.50000000000000 0.25995181275961 26.982 > 23 24 Al 0.50000000000000 0.00000000000000 0.74004818724039 26.982 > 24 25 Al 0.00000000000000 0.50000000000000 0.74004818724039 26.982 > 25 26 Al 0.50000000000000 0.00000000000000 0.25995181275961 26.982 > 26 *27 Bi 0.33450547081346 0.66742001260668 0.00000000000000 208.980 > 27 28 Bi 0.66549452918654 0.33257998739332 0.00000000000000 208.980 > 28 29 Bi 0.83450547081346 0.83257998739332 0.00000000000000 208.980 > 29 30 Bi 0.16549452918654 0.16742001260668 0.00000000000000 208.980 > 30 -------------------------------- super cell -------------------------------- Lattice vectors: a 15.354336099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.161640029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419174039999998 Atomic positions (fractional): *1 O 0.17710274108137 0.93424244457905 0.00000000000000 15.999 > 1 2 O 0.67710274108137 0.93424244457905 0.00000000000000 15.999 > 1 3 O 0.17710274108137 0.93424244457905 0.50000000000000 15.999 > 1 4 O 0.67710274108137 0.93424244457905 0.50000000000000 15.999 > 1 5 O 0.32289725891863 0.06575755542095 0.00000000000000 15.999 > 2 6 O 0.82289725891863 0.06575755542095 0.00000000000000 15.999 > 2 7 O 0.32289725891863 0.06575755542095 0.50000000000000 15.999 > 2 8 O 0.82289725891863 0.06575755542095 0.50000000000000 15.999 > 2 9 O 0.42710274108137 0.56575755542095 0.00000000000000 15.999 > 3 10 O 0.92710274108137 0.56575755542095 0.00000000000000 15.999 > 3 11 O 0.42710274108137 0.56575755542095 0.50000000000000 15.999 > 3 12 O 0.92710274108137 0.56575755542095 0.50000000000000 15.999 > 3 13 O 0.07289725891863 0.43424244457905 0.00000000000000 15.999 > 4 14 O 0.57289725891863 0.43424244457905 0.00000000000000 15.999 > 4 15 O 0.07289725891863 0.43424244457905 0.50000000000000 15.999 > 4 16 O 0.57289725891863 0.43424244457905 0.50000000000000 15.999 > 4 *17 O 0.18122561757472 0.91308205537815 0.25000000000000 15.999 > 5 18 O 0.68122561757472 0.91308205537815 0.25000000000000 15.999 > 5 19 O 0.18122561757472 0.91308205537815 0.75000000000000 15.999 > 5 20 O 0.68122561757472 0.91308205537815 0.75000000000000 15.999 > 5 21 O 0.31877438242528 0.08691794462185 0.25000000000000 15.999 > 6 22 O 0.81877438242528 0.08691794462185 0.25000000000000 15.999 > 6 23 O 0.31877438242528 0.08691794462185 0.75000000000000 15.999 > 6 24 O 0.81877438242528 0.08691794462185 0.75000000000000 15.999 > 6 25 O 0.43122561757472 0.58691794462185 0.25000000000000 15.999 > 7 26 O 0.93122561757472 0.58691794462185 0.25000000000000 15.999 > 7 27 O 0.43122561757472 0.58691794462185 0.75000000000000 15.999 > 7 28 O 0.93122561757472 0.58691794462185 0.75000000000000 15.999 > 7 29 O 0.06877438242528 0.41308205537815 0.25000000000000 15.999 > 8 30 O 0.56877438242528 0.41308205537815 0.25000000000000 15.999 > 8 31 O 0.06877438242528 0.41308205537815 0.75000000000000 15.999 > 8 32 O 0.56877438242528 0.41308205537815 0.75000000000000 15.999 > 8 *33 O 0.43785668853989 0.29311768177882 0.12472813283019 15.999 > 9 34 O 0.93785668853989 0.29311768177882 0.12472813283019 15.999 > 9 35 O 0.43785668853989 0.29311768177882 0.62472813283019 15.999 > 9 36 O 0.93785668853989 0.29311768177882 0.62472813283019 15.999 > 9 37 O 0.06214331146011 0.70688231822118 0.12472813283019 15.999 > 10 38 O 0.56214331146011 0.70688231822118 0.12472813283019 15.999 > 10 39 O 0.06214331146011 0.70688231822118 0.62472813283019 15.999 > 10 40 O 0.56214331146011 0.70688231822118 0.62472813283019 15.999 > 10 41 O 0.18785668853989 0.20688231822118 0.37527186716981 15.999 > 11 42 O 0.68785668853989 0.20688231822118 0.37527186716981 15.999 > 11 43 O 0.18785668853989 0.20688231822118 0.87527186716981 15.999 > 11 44 O 0.68785668853989 0.20688231822118 0.87527186716981 15.999 > 11 45 O 0.31214331146011 0.79311768177882 0.37527186716981 15.999 > 12 46 O 0.81214331146011 0.79311768177882 0.37527186716981 15.999 > 12 47 O 0.31214331146011 0.79311768177882 0.87527186716981 15.999 > 12 48 O 0.81214331146011 0.79311768177882 0.87527186716981 15.999 > 12 *49 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 13 50 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 13 51 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 13 52 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 13 53 O 0.25000000000000 0.50000000000000 0.25000000000000 15.999 > 14 54 O 0.75000000000000 0.50000000000000 0.25000000000000 15.999 > 14 55 O 0.25000000000000 0.50000000000000 0.75000000000000 15.999 > 14 56 O 0.75000000000000 0.50000000000000 0.75000000000000 15.999 > 14 57 O 0.18785668853989 0.20688231822118 0.12472813283019 15.999 > 15 58 O 0.68785668853989 0.20688231822118 0.12472813283019 15.999 > 15 59 O 0.18785668853989 0.20688231822118 0.62472813283019 15.999 > 15 60 O 0.68785668853989 0.20688231822118 0.62472813283019 15.999 > 15 61 O 0.31214331146011 0.79311768177882 0.12472813283019 15.999 > 16 62 O 0.81214331146011 0.79311768177882 0.12472813283019 15.999 > 16 63 O 0.31214331146011 0.79311768177882 0.62472813283019 15.999 > 16 64 O 0.81214331146011 0.79311768177882 0.62472813283019 15.999 > 16 65 O 0.43785668853989 0.29311768177882 0.37527186716981 15.999 > 17 66 O 0.93785668853989 0.29311768177882 0.37527186716981 15.999 > 17 67 O 0.43785668853989 0.29311768177882 0.87527186716981 15.999 > 17 68 O 0.93785668853989 0.29311768177882 0.87527186716981 15.999 > 17 69 O 0.06214331146011 0.70688231822118 0.37527186716981 15.999 > 18 70 O 0.56214331146011 0.70688231822118 0.37527186716981 15.999 > 18 71 O 0.06214331146011 0.70688231822118 0.87527186716981 15.999 > 18 72 O 0.56214331146011 0.70688231822118 0.87527186716981 15.999 > 18 *73 Al 0.07381633949761 0.83736557505226 0.25000000000000 26.982 > 19 74 Al 0.57381633949761 0.83736557505226 0.25000000000000 26.982 > 19 75 Al 0.07381633949761 0.83736557505226 0.75000000000000 26.982 > 19 76 Al 0.57381633949761 0.83736557505226 0.75000000000000 26.982 > 19 77 Al 0.42618366050239 0.16263442494774 0.25000000000000 26.982 > 20 78 Al 0.92618366050239 0.16263442494774 0.25000000000000 26.982 > 20 79 Al 0.42618366050239 0.16263442494774 0.75000000000000 26.982 > 20 80 Al 0.92618366050239 0.16263442494774 0.75000000000000 26.982 > 20 81 Al 0.32381633949761 0.66263442494774 0.25000000000000 26.982 > 21 82 Al 0.82381633949761 0.66263442494774 0.25000000000000 26.982 > 21 83 Al 0.32381633949761 0.66263442494774 0.75000000000000 26.982 > 21 84 Al 0.82381633949761 0.66263442494774 0.75000000000000 26.982 > 21 85 Al 0.17618366050239 0.33736557505226 0.25000000000000 26.982 > 22 86 Al 0.67618366050239 0.33736557505226 0.25000000000000 26.982 > 22 87 Al 0.17618366050239 0.33736557505226 0.75000000000000 26.982 > 22 88 Al 0.67618366050239 0.33736557505226 0.75000000000000 26.982 > 22 *89 Al 0.00000000000000 0.50000000000000 0.12997590637980 26.982 > 23 90 Al 0.50000000000000 0.50000000000000 0.12997590637980 26.982 > 23 91 Al 0.00000000000000 0.50000000000000 0.62997590637980 26.982 > 23 92 Al 0.50000000000000 0.50000000000000 0.62997590637980 26.982 > 23 93 Al 0.25000000000000 0.00000000000000 0.37002409362020 26.982 > 24 94 Al 0.75000000000000 0.00000000000000 0.37002409362020 26.982 > 24 95 Al 0.25000000000000 0.00000000000000 0.87002409362020 26.982 > 24 96 Al 0.75000000000000 0.00000000000000 0.87002409362020 26.982 > 24 97 Al 0.00000000000000 0.50000000000000 0.37002409362020 26.982 > 25 98 Al 0.50000000000000 0.50000000000000 0.37002409362020 26.982 > 25 99 Al 0.00000000000000 0.50000000000000 0.87002409362020 26.982 > 25 100 Al 0.50000000000000 0.50000000000000 0.87002409362020 26.982 > 25 101 Al 0.25000000000000 0.00000000000000 0.12997590637980 26.982 > 26 102 Al 0.75000000000000 0.00000000000000 0.12997590637980 26.982 > 26 103 Al 0.25000000000000 0.00000000000000 0.62997590637980 26.982 > 26 104 Al 0.75000000000000 0.00000000000000 0.62997590637980 26.982 > 26 *105 Bi 0.16725273540673 0.66742001260668 0.00000000000000 208.980 > 27 106 Bi 0.66725273540673 0.66742001260668 0.00000000000000 208.980 > 27 107 Bi 0.16725273540673 0.66742001260668 0.50000000000000 208.980 > 27 108 Bi 0.66725273540673 0.66742001260668 0.50000000000000 208.980 > 27 109 Bi 0.33274726459327 0.33257998739332 0.00000000000000 208.980 > 28 110 Bi 0.83274726459327 0.33257998739332 0.00000000000000 208.980 > 28 111 Bi 0.33274726459327 0.33257998739332 0.50000000000000 208.980 > 28 112 Bi 0.83274726459327 0.33257998739332 0.50000000000000 208.980 > 28 113 Bi 0.41725273540673 0.83257998739332 0.00000000000000 208.980 > 29 114 Bi 0.91725273540673 0.83257998739332 0.00000000000000 208.980 > 29 115 Bi 0.41725273540673 0.83257998739332 0.50000000000000 208.980 > 29 116 Bi 0.91725273540673 0.83257998739332 0.50000000000000 208.980 > 29 117 Bi 0.08274726459327 0.16742001260668 0.00000000000000 208.980 > 30 118 Bi 0.58274726459327 0.16742001260668 0.00000000000000 208.980 > 30 119 Bi 0.08274726459327 0.16742001260668 0.50000000000000 208.980 > 30 120 Bi 0.58274726459327 0.16742001260668 0.50000000000000 208.980 > 30 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5029223 0.0000000 0.0000000 0.0000000 4.5070639 0.0000000 0.0000000 0.0000000 4.1181170 -------------------------- Born effective charges -------------------------- 1 O -1.9205134 0.0835267 0.0000000 0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 2 O -1.9205134 0.0835267 0.0000000 0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 3 O -1.9205134 -0.0835267 0.0000000 -0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 4 O -1.9205134 -0.0835267 0.0000000 -0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 5 O -2.2214219 -0.2062266 0.0000000 -0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 6 O -2.2214219 -0.2062266 0.0000000 -0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 7 O -2.2214219 0.2062266 0.0000000 0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 8 O -2.2214219 0.2062266 0.0000000 0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 9 O -2.3727050 0.1252271 -0.3461939 -0.0549439 -1.9468140 0.3286056 -0.4474280 0.3295437 -2.2559334 10 O -2.3727050 0.1252271 0.3461939 -0.0549439 -1.9468140 -0.3286056 0.4474280 -0.3295437 -2.2559334 11 O -2.3727050 -0.1252271 0.3461939 0.0549439 -1.9468140 0.3286056 0.4474280 0.3295437 -2.2559334 12 O -2.3727050 -0.1252271 -0.3461939 0.0549439 -1.9468140 -0.3286056 -0.4474280 -0.3295437 -2.2559334 13 O -2.1400473 0.6047065 0.0000000 0.4464259 -2.2808378 0.0000000 0.0000000 0.0000000 -2.1597380 14 O -2.1400473 -0.6047065 0.0000000 -0.4464259 -2.2808378 0.0000000 0.0000000 0.0000000 -2.1597380 15 O -2.3727050 -0.1252271 -0.3461939 0.0549439 -1.9468140 -0.3286056 -0.4474280 -0.3295437 -2.2559334 16 O -2.3727050 -0.1252271 0.3461939 0.0549439 -1.9468140 0.3286056 0.4474280 0.3295437 -2.2559334 17 O -2.3727050 0.1252271 0.3461939 -0.0549439 -1.9468140 -0.3286056 0.4474280 -0.3295437 -2.2559334 18 O -2.3727050 0.1252271 -0.3461939 -0.0549439 -1.9468140 0.3286056 -0.4474280 0.3295437 -2.2559334 19 Al 2.6180909 -0.0797275 0.0000000 0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 20 Al 2.6180909 -0.0797275 0.0000000 0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 21 Al 2.6180909 0.0797275 0.0000000 -0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 22 Al 2.6180909 0.0797275 0.0000000 -0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 23 Al 2.7962266 0.3393469 0.0000000 -0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 24 Al 2.7962266 -0.3393469 0.0000000 0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 25 Al 2.7962266 0.3393469 0.0000000 -0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 26 Al 2.7962266 -0.3393469 0.0000000 0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 27 Bi 4.5430513 0.8422222 0.0000000 1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 28 Bi 4.5430513 0.8422222 0.0000000 1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 29 Bi 4.5430513 -0.8422222 0.0000000 -1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 30 Bi 4.5430513 -0.8422222 0.0000000 -1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 ---------------------------------------------------------------------------- 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: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2210 Number of blocks in projector: 2210 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: 542 Use submatrix version of eigh solver. (1) Block: 542 / 542 (2) Block: 250 / 542 (2) 236 eigenvectors found. (2) Block: 542 / 542 (2) 278 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 316 Use standard eigh solver. Tree of FC basis block matrices: - (2210, 2171), data: False |-- (316, 309), data: True |-- (316, 309), data: True |-- (316, 309), data: True |-- (360, 358), data: True |-- (360, 358), data: True |-- (542, 528), data: False |-- (542, 528), data: False |-- (542, 14), data: (542, 28) @ (28, 14) |-- (292, 278), data: True |-- (250, 236), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.003 Solver_block: 100 / 480 - Time: 0.666 Solver_block: 200 / 480 - Time: 0.607 Solver_block: 300 / 480 - Time: 0.616 Solver_block: 400 / 480 - Time: 0.611 Solver_block: 480 / 480 - Time: 0.516 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 3.093 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 360/360 Permutation basis: 16560/16560 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2210 Number of blocks in projector: 2210 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: 542 Use submatrix version of eigh solver. (1) Block: 542 / 542 (2) Block: 250 / 542 (2) 236 eigenvectors found. (2) Block: 542 / 542 (2) 278 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 528 eigenvectors found. (1) Complementary block size: 14 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 360 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 316 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 316 Use standard eigh solver. Tree of FC basis block matrices: - (2210, 2171), data: False |-- (316, 309), data: True |-- (316, 309), data: True |-- (316, 309), data: True |-- (360, 358), data: True |-- (360, 358), data: True |-- (542, 528), data: False |-- (542, 528), data: False |-- (542, 14), data: (542, 28) @ (28, 14) |-- (292, 278), 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 05:26:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:26:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.677168050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.161640029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.709587019999999 Atomic positions (fractional): 1 O 0.35420548216274 0.93424244457905 0.00000000000000 15.999 2 O 0.64579451783726 0.06575755542095 0.00000000000000 15.999 3 O 0.85420548216274 0.56575755542095 0.00000000000000 15.999 4 O 0.14579451783726 0.43424244457905 0.00000000000000 15.999 5 O 0.36245123514945 0.91308205537815 0.50000000000000 15.999 6 O 0.63754876485055 0.08691794462185 0.50000000000000 15.999 7 O 0.86245123514945 0.58691794462185 0.50000000000000 15.999 8 O 0.13754876485055 0.41308205537815 0.50000000000000 15.999 9 O 0.87571337707978 0.29311768177882 0.24945626566039 15.999 10 O 0.12428662292022 0.70688231822118 0.24945626566039 15.999 11 O 0.37571337707978 0.20688231822118 0.75054373433961 15.999 12 O 0.62428662292022 0.79311768177882 0.75054373433961 15.999 13 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 14 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 15 O 0.37571337707978 0.20688231822118 0.24945626566039 15.999 16 O 0.62428662292022 0.79311768177882 0.24945626566039 15.999 17 O 0.87571337707978 0.29311768177882 0.75054373433961 15.999 18 O 0.12428662292022 0.70688231822118 0.75054373433961 15.999 19 Al 0.14763267899522 0.83736557505226 0.50000000000000 26.982 20 Al 0.85236732100478 0.16263442494774 0.50000000000000 26.982 21 Al 0.64763267899522 0.66263442494774 0.50000000000000 26.982 22 Al 0.35236732100478 0.33736557505226 0.50000000000000 26.982 23 Al 0.00000000000000 0.50000000000000 0.25995181275961 26.982 24 Al 0.50000000000000 0.00000000000000 0.74004818724039 26.982 25 Al 0.00000000000000 0.50000000000000 0.74004818724039 26.982 26 Al 0.50000000000000 0.00000000000000 0.25995181275961 26.982 27 Bi 0.33450547081346 0.66742001260668 0.00000000000000 208.980 28 Bi 0.66549452918654 0.33257998739332 0.00000000000000 208.980 29 Bi 0.83450547081346 0.83257998739332 0.00000000000000 208.980 30 Bi 0.16549452918654 0.16742001260668 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.354336099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.161640029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419174039999998 Atomic positions (fractional): 1 O 0.17710274108137 0.93424244457905 0.00000000000000 15.999 > 1 2 O 0.67710274108137 0.93424244457905 0.00000000000000 15.999 > 1 3 O 0.17710274108137 0.93424244457905 0.50000000000000 15.999 > 1 4 O 0.67710274108137 0.93424244457905 0.50000000000000 15.999 > 1 5 O 0.32289725891863 0.06575755542095 0.00000000000000 15.999 > 5 6 O 0.82289725891863 0.06575755542095 0.00000000000000 15.999 > 5 7 O 0.32289725891863 0.06575755542095 0.50000000000000 15.999 > 5 8 O 0.82289725891863 0.06575755542095 0.50000000000000 15.999 > 5 9 O 0.42710274108137 0.56575755542095 0.00000000000000 15.999 > 9 10 O 0.92710274108137 0.56575755542095 0.00000000000000 15.999 > 9 11 O 0.42710274108137 0.56575755542095 0.50000000000000 15.999 > 9 12 O 0.92710274108137 0.56575755542095 0.50000000000000 15.999 > 9 13 O 0.07289725891863 0.43424244457905 0.00000000000000 15.999 > 13 14 O 0.57289725891863 0.43424244457905 0.00000000000000 15.999 > 13 15 O 0.07289725891863 0.43424244457905 0.50000000000000 15.999 > 13 16 O 0.57289725891863 0.43424244457905 0.50000000000000 15.999 > 13 17 O 0.18122561757472 0.91308205537815 0.25000000000000 15.999 > 17 18 O 0.68122561757472 0.91308205537815 0.25000000000000 15.999 > 17 19 O 0.18122561757472 0.91308205537815 0.75000000000000 15.999 > 17 20 O 0.68122561757472 0.91308205537815 0.75000000000000 15.999 > 17 21 O 0.31877438242528 0.08691794462185 0.25000000000000 15.999 > 21 22 O 0.81877438242528 0.08691794462185 0.25000000000000 15.999 > 21 23 O 0.31877438242528 0.08691794462185 0.75000000000000 15.999 > 21 24 O 0.81877438242528 0.08691794462185 0.75000000000000 15.999 > 21 25 O 0.43122561757472 0.58691794462185 0.25000000000000 15.999 > 25 26 O 0.93122561757472 0.58691794462185 0.25000000000000 15.999 > 25 27 O 0.43122561757472 0.58691794462185 0.75000000000000 15.999 > 25 28 O 0.93122561757472 0.58691794462185 0.75000000000000 15.999 > 25 29 O 0.06877438242528 0.41308205537815 0.25000000000000 15.999 > 29 30 O 0.56877438242528 0.41308205537815 0.25000000000000 15.999 > 29 31 O 0.06877438242528 0.41308205537815 0.75000000000000 15.999 > 29 32 O 0.56877438242528 0.41308205537815 0.75000000000000 15.999 > 29 33 O 0.43785668853989 0.29311768177882 0.12472813283019 15.999 > 33 34 O 0.93785668853989 0.29311768177882 0.12472813283019 15.999 > 33 35 O 0.43785668853989 0.29311768177882 0.62472813283019 15.999 > 33 36 O 0.93785668853989 0.29311768177882 0.62472813283019 15.999 > 33 37 O 0.06214331146011 0.70688231822118 0.12472813283019 15.999 > 37 38 O 0.56214331146011 0.70688231822118 0.12472813283019 15.999 > 37 39 O 0.06214331146011 0.70688231822118 0.62472813283019 15.999 > 37 40 O 0.56214331146011 0.70688231822118 0.62472813283019 15.999 > 37 41 O 0.18785668853989 0.20688231822118 0.37527186716981 15.999 > 41 42 O 0.68785668853989 0.20688231822118 0.37527186716981 15.999 > 41 43 O 0.18785668853989 0.20688231822118 0.87527186716981 15.999 > 41 44 O 0.68785668853989 0.20688231822118 0.87527186716981 15.999 > 41 45 O 0.31214331146011 0.79311768177882 0.37527186716981 15.999 > 45 46 O 0.81214331146011 0.79311768177882 0.37527186716981 15.999 > 45 47 O 0.31214331146011 0.79311768177882 0.87527186716981 15.999 > 45 48 O 0.81214331146011 0.79311768177882 0.87527186716981 15.999 > 45 49 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 49 51 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 49 52 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 49 53 O 0.25000000000000 0.50000000000000 0.25000000000000 15.999 > 53 54 O 0.75000000000000 0.50000000000000 0.25000000000000 15.999 > 53 55 O 0.25000000000000 0.50000000000000 0.75000000000000 15.999 > 53 56 O 0.75000000000000 0.50000000000000 0.75000000000000 15.999 > 53 57 O 0.18785668853989 0.20688231822118 0.12472813283019 15.999 > 57 58 O 0.68785668853989 0.20688231822118 0.12472813283019 15.999 > 57 59 O 0.18785668853989 0.20688231822118 0.62472813283019 15.999 > 57 60 O 0.68785668853989 0.20688231822118 0.62472813283019 15.999 > 57 61 O 0.31214331146011 0.79311768177882 0.12472813283019 15.999 > 61 62 O 0.81214331146011 0.79311768177882 0.12472813283019 15.999 > 61 63 O 0.31214331146011 0.79311768177882 0.62472813283019 15.999 > 61 64 O 0.81214331146011 0.79311768177882 0.62472813283019 15.999 > 61 65 O 0.43785668853989 0.29311768177882 0.37527186716981 15.999 > 65 66 O 0.93785668853989 0.29311768177882 0.37527186716981 15.999 > 65 67 O 0.43785668853989 0.29311768177882 0.87527186716981 15.999 > 65 68 O 0.93785668853989 0.29311768177882 0.87527186716981 15.999 > 65 69 O 0.06214331146011 0.70688231822118 0.37527186716981 15.999 > 69 70 O 0.56214331146011 0.70688231822118 0.37527186716981 15.999 > 69 71 O 0.06214331146011 0.70688231822118 0.87527186716981 15.999 > 69 72 O 0.56214331146011 0.70688231822118 0.87527186716981 15.999 > 69 73 Al 0.07381633949761 0.83736557505226 0.25000000000000 26.982 > 73 74 Al 0.57381633949761 0.83736557505226 0.25000000000000 26.982 > 73 75 Al 0.07381633949761 0.83736557505226 0.75000000000000 26.982 > 73 76 Al 0.57381633949761 0.83736557505226 0.75000000000000 26.982 > 73 77 Al 0.42618366050239 0.16263442494774 0.25000000000000 26.982 > 77 78 Al 0.92618366050239 0.16263442494774 0.25000000000000 26.982 > 77 79 Al 0.42618366050239 0.16263442494774 0.75000000000000 26.982 > 77 80 Al 0.92618366050239 0.16263442494774 0.75000000000000 26.982 > 77 81 Al 0.32381633949761 0.66263442494774 0.25000000000000 26.982 > 81 82 Al 0.82381633949761 0.66263442494774 0.25000000000000 26.982 > 81 83 Al 0.32381633949761 0.66263442494774 0.75000000000000 26.982 > 81 84 Al 0.82381633949761 0.66263442494774 0.75000000000000 26.982 > 81 85 Al 0.17618366050239 0.33736557505226 0.25000000000000 26.982 > 85 86 Al 0.67618366050239 0.33736557505226 0.25000000000000 26.982 > 85 87 Al 0.17618366050239 0.33736557505226 0.75000000000000 26.982 > 85 88 Al 0.67618366050239 0.33736557505226 0.75000000000000 26.982 > 85 89 Al 0.00000000000000 0.50000000000000 0.12997590637980 26.982 > 89 90 Al 0.50000000000000 0.50000000000000 0.12997590637980 26.982 > 89 91 Al 0.00000000000000 0.50000000000000 0.62997590637980 26.982 > 89 92 Al 0.50000000000000 0.50000000000000 0.62997590637980 26.982 > 89 93 Al 0.25000000000000 0.00000000000000 0.37002409362020 26.982 > 93 94 Al 0.75000000000000 0.00000000000000 0.37002409362020 26.982 > 93 95 Al 0.25000000000000 0.00000000000000 0.87002409362020 26.982 > 93 96 Al 0.75000000000000 0.00000000000000 0.87002409362020 26.982 > 93 97 Al 0.00000000000000 0.50000000000000 0.37002409362020 26.982 > 97 98 Al 0.50000000000000 0.50000000000000 0.37002409362020 26.982 > 97 99 Al 0.00000000000000 0.50000000000000 0.87002409362020 26.982 > 97 100 Al 0.50000000000000 0.50000000000000 0.87002409362020 26.982 > 97 101 Al 0.25000000000000 0.00000000000000 0.12997590637980 26.982 > 101 102 Al 0.75000000000000 0.00000000000000 0.12997590637980 26.982 > 101 103 Al 0.25000000000000 0.00000000000000 0.62997590637980 26.982 > 101 104 Al 0.75000000000000 0.00000000000000 0.62997590637980 26.982 > 101 105 Bi 0.16725273540673 0.66742001260668 0.00000000000000 208.980 > 105 106 Bi 0.66725273540673 0.66742001260668 0.00000000000000 208.980 > 105 107 Bi 0.16725273540673 0.66742001260668 0.50000000000000 208.980 > 105 108 Bi 0.66725273540673 0.66742001260668 0.50000000000000 208.980 > 105 109 Bi 0.33274726459327 0.33257998739332 0.00000000000000 208.980 > 109 110 Bi 0.83274726459327 0.33257998739332 0.00000000000000 208.980 > 109 111 Bi 0.33274726459327 0.33257998739332 0.50000000000000 208.980 > 109 112 Bi 0.83274726459327 0.33257998739332 0.50000000000000 208.980 > 109 113 Bi 0.41725273540673 0.83257998739332 0.00000000000000 208.980 > 113 114 Bi 0.91725273540673 0.83257998739332 0.00000000000000 208.980 > 113 115 Bi 0.41725273540673 0.83257998739332 0.50000000000000 208.980 > 113 116 Bi 0.91725273540673 0.83257998739332 0.50000000000000 208.980 > 113 117 Bi 0.08274726459327 0.16742001260668 0.00000000000000 208.980 > 117 118 Bi 0.58274726459327 0.16742001260668 0.00000000000000 208.980 > 117 119 Bi 0.08274726459327 0.16742001260668 0.50000000000000 208.980 > 117 120 Bi 0.58274726459327 0.16742001260668 0.50000000000000 208.980 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.5029223 0.0000000 0.0000000 0.0000000 4.5070639 0.0000000 0.0000000 0.0000000 4.1181170 -------------------------- Born effective charges -------------------------- 1 O -1.9205134 0.0835267 0.0000000 0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 2 O -1.9205134 0.0835267 0.0000000 0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 3 O -1.9205134 -0.0835267 0.0000000 -0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 4 O -1.9205134 -0.0835267 0.0000000 -0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 5 O -2.2214219 -0.2062266 0.0000000 -0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 6 O -2.2214219 -0.2062266 0.0000000 -0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 7 O -2.2214219 0.2062266 0.0000000 0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 8 O -2.2214219 0.2062266 0.0000000 0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 9 O -2.3727050 0.1252271 -0.3461939 -0.0549439 -1.9468140 0.3286056 -0.4474280 0.3295437 -2.2559334 10 O -2.3727050 0.1252271 0.3461939 -0.0549439 -1.9468140 -0.3286056 0.4474280 -0.3295437 -2.2559334 11 O -2.3727050 -0.1252271 0.3461939 0.0549439 -1.9468140 0.3286056 0.4474280 0.3295437 -2.2559334 12 O -2.3727050 -0.1252271 -0.3461939 0.0549439 -1.9468140 -0.3286056 -0.4474280 -0.3295437 -2.2559334 13 O -2.1400473 0.6047065 0.0000000 0.4464259 -2.2808378 0.0000000 0.0000000 0.0000000 -2.1597380 14 O -2.1400473 -0.6047065 0.0000000 -0.4464259 -2.2808378 0.0000000 0.0000000 0.0000000 -2.1597380 15 O -2.3727050 -0.1252271 -0.3461939 0.0549439 -1.9468140 -0.3286056 -0.4474280 -0.3295437 -2.2559334 16 O -2.3727050 -0.1252271 0.3461939 0.0549439 -1.9468140 0.3286056 0.4474280 0.3295437 -2.2559334 17 O -2.3727050 0.1252271 0.3461939 -0.0549439 -1.9468140 -0.3286056 0.4474280 -0.3295437 -2.2559334 18 O -2.3727050 0.1252271 -0.3461939 -0.0549439 -1.9468140 0.3286056 -0.4474280 0.3295437 -2.2559334 19 Al 2.6180909 -0.0797275 0.0000000 0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 20 Al 2.6180909 -0.0797275 0.0000000 0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 21 Al 2.6180909 0.0797275 0.0000000 -0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 22 Al 2.6180909 0.0797275 0.0000000 -0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 23 Al 2.7962266 0.3393469 0.0000000 -0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 24 Al 2.7962266 -0.3393469 0.0000000 0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 25 Al 2.7962266 0.3393469 0.0000000 -0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 26 Al 2.7962266 -0.3393469 0.0000000 0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 27 Bi 4.5430513 0.8422222 0.0000000 1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 28 Bi 4.5430513 0.8422222 0.0000000 1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 29 Bi 4.5430513 -0.8422222 0.0000000 -1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 30 Bi 4.5430513 -0.8422222 0.0000000 -1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 ---------------------------------------------------------------------------- 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[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 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[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 105, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (xy) 0.00000001 (xy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:27:13]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 05:27:13]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pbam (55) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.677168050000000 0.000000000000000 0.000000000000000 b 0.000000000000000 8.161640029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.709587019999999 Atomic positions (fractional): 1 O 0.35420548216274 0.93424244457905 0.00000000000000 15.999 2 O 0.64579451783726 0.06575755542095 0.00000000000000 15.999 3 O 0.85420548216274 0.56575755542095 0.00000000000000 15.999 4 O 0.14579451783726 0.43424244457905 0.00000000000000 15.999 5 O 0.36245123514945 0.91308205537815 0.50000000000000 15.999 6 O 0.63754876485055 0.08691794462185 0.50000000000000 15.999 7 O 0.86245123514945 0.58691794462185 0.50000000000000 15.999 8 O 0.13754876485055 0.41308205537815 0.50000000000000 15.999 9 O 0.87571337707978 0.29311768177882 0.24945626566039 15.999 10 O 0.12428662292022 0.70688231822118 0.24945626566039 15.999 11 O 0.37571337707978 0.20688231822118 0.75054373433961 15.999 12 O 0.62428662292022 0.79311768177882 0.75054373433961 15.999 13 O 0.00000000000000 0.00000000000000 0.50000000000000 15.999 14 O 0.50000000000000 0.50000000000000 0.50000000000000 15.999 15 O 0.37571337707978 0.20688231822118 0.24945626566039 15.999 16 O 0.62428662292022 0.79311768177882 0.24945626566039 15.999 17 O 0.87571337707978 0.29311768177882 0.75054373433961 15.999 18 O 0.12428662292022 0.70688231822118 0.75054373433961 15.999 19 Al 0.14763267899522 0.83736557505226 0.50000000000000 26.982 20 Al 0.85236732100478 0.16263442494774 0.50000000000000 26.982 21 Al 0.64763267899522 0.66263442494774 0.50000000000000 26.982 22 Al 0.35236732100478 0.33736557505226 0.50000000000000 26.982 23 Al 0.00000000000000 0.50000000000000 0.25995181275961 26.982 24 Al 0.50000000000000 0.00000000000000 0.74004818724039 26.982 25 Al 0.00000000000000 0.50000000000000 0.74004818724039 26.982 26 Al 0.50000000000000 0.00000000000000 0.25995181275961 26.982 27 Bi 0.33450547081346 0.66742001260668 0.00000000000000 208.980 28 Bi 0.66549452918654 0.33257998739332 0.00000000000000 208.980 29 Bi 0.83450547081346 0.83257998739332 0.00000000000000 208.980 30 Bi 0.16549452918654 0.16742001260668 0.00000000000000 208.980 -------------------------------- supercell --------------------------------- Lattice vectors: a 15.354336099999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.161640029999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.419174039999998 Atomic positions (fractional): 1 O 0.17710274108137 0.93424244457905 0.00000000000000 15.999 > 1 2 O 0.67710274108137 0.93424244457905 0.00000000000000 15.999 > 1 3 O 0.17710274108137 0.93424244457905 0.50000000000000 15.999 > 1 4 O 0.67710274108137 0.93424244457905 0.50000000000000 15.999 > 1 5 O 0.32289725891863 0.06575755542095 0.00000000000000 15.999 > 5 6 O 0.82289725891863 0.06575755542095 0.00000000000000 15.999 > 5 7 O 0.32289725891863 0.06575755542095 0.50000000000000 15.999 > 5 8 O 0.82289725891863 0.06575755542095 0.50000000000000 15.999 > 5 9 O 0.42710274108137 0.56575755542095 0.00000000000000 15.999 > 9 10 O 0.92710274108137 0.56575755542095 0.00000000000000 15.999 > 9 11 O 0.42710274108137 0.56575755542095 0.50000000000000 15.999 > 9 12 O 0.92710274108137 0.56575755542095 0.50000000000000 15.999 > 9 13 O 0.07289725891863 0.43424244457905 0.00000000000000 15.999 > 13 14 O 0.57289725891863 0.43424244457905 0.00000000000000 15.999 > 13 15 O 0.07289725891863 0.43424244457905 0.50000000000000 15.999 > 13 16 O 0.57289725891863 0.43424244457905 0.50000000000000 15.999 > 13 17 O 0.18122561757472 0.91308205537815 0.25000000000000 15.999 > 17 18 O 0.68122561757472 0.91308205537815 0.25000000000000 15.999 > 17 19 O 0.18122561757472 0.91308205537815 0.75000000000000 15.999 > 17 20 O 0.68122561757472 0.91308205537815 0.75000000000000 15.999 > 17 21 O 0.31877438242528 0.08691794462185 0.25000000000000 15.999 > 21 22 O 0.81877438242528 0.08691794462185 0.25000000000000 15.999 > 21 23 O 0.31877438242528 0.08691794462185 0.75000000000000 15.999 > 21 24 O 0.81877438242528 0.08691794462185 0.75000000000000 15.999 > 21 25 O 0.43122561757472 0.58691794462185 0.25000000000000 15.999 > 25 26 O 0.93122561757472 0.58691794462185 0.25000000000000 15.999 > 25 27 O 0.43122561757472 0.58691794462185 0.75000000000000 15.999 > 25 28 O 0.93122561757472 0.58691794462185 0.75000000000000 15.999 > 25 29 O 0.06877438242528 0.41308205537815 0.25000000000000 15.999 > 29 30 O 0.56877438242528 0.41308205537815 0.25000000000000 15.999 > 29 31 O 0.06877438242528 0.41308205537815 0.75000000000000 15.999 > 29 32 O 0.56877438242528 0.41308205537815 0.75000000000000 15.999 > 29 33 O 0.43785668853989 0.29311768177882 0.12472813283019 15.999 > 33 34 O 0.93785668853989 0.29311768177882 0.12472813283019 15.999 > 33 35 O 0.43785668853989 0.29311768177882 0.62472813283019 15.999 > 33 36 O 0.93785668853989 0.29311768177882 0.62472813283019 15.999 > 33 37 O 0.06214331146011 0.70688231822118 0.12472813283019 15.999 > 37 38 O 0.56214331146011 0.70688231822118 0.12472813283019 15.999 > 37 39 O 0.06214331146011 0.70688231822118 0.62472813283019 15.999 > 37 40 O 0.56214331146011 0.70688231822118 0.62472813283019 15.999 > 37 41 O 0.18785668853989 0.20688231822118 0.37527186716981 15.999 > 41 42 O 0.68785668853989 0.20688231822118 0.37527186716981 15.999 > 41 43 O 0.18785668853989 0.20688231822118 0.87527186716981 15.999 > 41 44 O 0.68785668853989 0.20688231822118 0.87527186716981 15.999 > 41 45 O 0.31214331146011 0.79311768177882 0.37527186716981 15.999 > 45 46 O 0.81214331146011 0.79311768177882 0.37527186716981 15.999 > 45 47 O 0.31214331146011 0.79311768177882 0.87527186716981 15.999 > 45 48 O 0.81214331146011 0.79311768177882 0.87527186716981 15.999 > 45 49 O 0.00000000000000 0.00000000000000 0.25000000000000 15.999 > 49 50 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 49 51 O 0.00000000000000 0.00000000000000 0.75000000000000 15.999 > 49 52 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 49 53 O 0.25000000000000 0.50000000000000 0.25000000000000 15.999 > 53 54 O 0.75000000000000 0.50000000000000 0.25000000000000 15.999 > 53 55 O 0.25000000000000 0.50000000000000 0.75000000000000 15.999 > 53 56 O 0.75000000000000 0.50000000000000 0.75000000000000 15.999 > 53 57 O 0.18785668853989 0.20688231822118 0.12472813283019 15.999 > 57 58 O 0.68785668853989 0.20688231822118 0.12472813283019 15.999 > 57 59 O 0.18785668853989 0.20688231822118 0.62472813283019 15.999 > 57 60 O 0.68785668853989 0.20688231822118 0.62472813283019 15.999 > 57 61 O 0.31214331146011 0.79311768177882 0.12472813283019 15.999 > 61 62 O 0.81214331146011 0.79311768177882 0.12472813283019 15.999 > 61 63 O 0.31214331146011 0.79311768177882 0.62472813283019 15.999 > 61 64 O 0.81214331146011 0.79311768177882 0.62472813283019 15.999 > 61 65 O 0.43785668853989 0.29311768177882 0.37527186716981 15.999 > 65 66 O 0.93785668853989 0.29311768177882 0.37527186716981 15.999 > 65 67 O 0.43785668853989 0.29311768177882 0.87527186716981 15.999 > 65 68 O 0.93785668853989 0.29311768177882 0.87527186716981 15.999 > 65 69 O 0.06214331146011 0.70688231822118 0.37527186716981 15.999 > 69 70 O 0.56214331146011 0.70688231822118 0.37527186716981 15.999 > 69 71 O 0.06214331146011 0.70688231822118 0.87527186716981 15.999 > 69 72 O 0.56214331146011 0.70688231822118 0.87527186716981 15.999 > 69 73 Al 0.07381633949761 0.83736557505226 0.25000000000000 26.982 > 73 74 Al 0.57381633949761 0.83736557505226 0.25000000000000 26.982 > 73 75 Al 0.07381633949761 0.83736557505226 0.75000000000000 26.982 > 73 76 Al 0.57381633949761 0.83736557505226 0.75000000000000 26.982 > 73 77 Al 0.42618366050239 0.16263442494774 0.25000000000000 26.982 > 77 78 Al 0.92618366050239 0.16263442494774 0.25000000000000 26.982 > 77 79 Al 0.42618366050239 0.16263442494774 0.75000000000000 26.982 > 77 80 Al 0.92618366050239 0.16263442494774 0.75000000000000 26.982 > 77 81 Al 0.32381633949761 0.66263442494774 0.25000000000000 26.982 > 81 82 Al 0.82381633949761 0.66263442494774 0.25000000000000 26.982 > 81 83 Al 0.32381633949761 0.66263442494774 0.75000000000000 26.982 > 81 84 Al 0.82381633949761 0.66263442494774 0.75000000000000 26.982 > 81 85 Al 0.17618366050239 0.33736557505226 0.25000000000000 26.982 > 85 86 Al 0.67618366050239 0.33736557505226 0.25000000000000 26.982 > 85 87 Al 0.17618366050239 0.33736557505226 0.75000000000000 26.982 > 85 88 Al 0.67618366050239 0.33736557505226 0.75000000000000 26.982 > 85 89 Al 0.00000000000000 0.50000000000000 0.12997590637980 26.982 > 89 90 Al 0.50000000000000 0.50000000000000 0.12997590637980 26.982 > 89 91 Al 0.00000000000000 0.50000000000000 0.62997590637980 26.982 > 89 92 Al 0.50000000000000 0.50000000000000 0.62997590637980 26.982 > 89 93 Al 0.25000000000000 0.00000000000000 0.37002409362020 26.982 > 93 94 Al 0.75000000000000 0.00000000000000 0.37002409362020 26.982 > 93 95 Al 0.25000000000000 0.00000000000000 0.87002409362020 26.982 > 93 96 Al 0.75000000000000 0.00000000000000 0.87002409362020 26.982 > 93 97 Al 0.00000000000000 0.50000000000000 0.37002409362020 26.982 > 97 98 Al 0.50000000000000 0.50000000000000 0.37002409362020 26.982 > 97 99 Al 0.00000000000000 0.50000000000000 0.87002409362020 26.982 > 97 100 Al 0.50000000000000 0.50000000000000 0.87002409362020 26.982 > 97 101 Al 0.25000000000000 0.00000000000000 0.12997590637980 26.982 > 101 102 Al 0.75000000000000 0.00000000000000 0.12997590637980 26.982 > 101 103 Al 0.25000000000000 0.00000000000000 0.62997590637980 26.982 > 101 104 Al 0.75000000000000 0.00000000000000 0.62997590637980 26.982 > 101 105 Bi 0.16725273540673 0.66742001260668 0.00000000000000 208.980 > 105 106 Bi 0.66725273540673 0.66742001260668 0.00000000000000 208.980 > 105 107 Bi 0.16725273540673 0.66742001260668 0.50000000000000 208.980 > 105 108 Bi 0.66725273540673 0.66742001260668 0.50000000000000 208.980 > 105 109 Bi 0.33274726459327 0.33257998739332 0.00000000000000 208.980 > 109 110 Bi 0.83274726459327 0.33257998739332 0.00000000000000 208.980 > 109 111 Bi 0.33274726459327 0.33257998739332 0.50000000000000 208.980 > 109 112 Bi 0.83274726459327 0.33257998739332 0.50000000000000 208.980 > 109 113 Bi 0.41725273540673 0.83257998739332 0.00000000000000 208.980 > 113 114 Bi 0.91725273540673 0.83257998739332 0.00000000000000 208.980 > 113 115 Bi 0.41725273540673 0.83257998739332 0.50000000000000 208.980 > 113 116 Bi 0.91725273540673 0.83257998739332 0.50000000000000 208.980 > 113 117 Bi 0.08274726459327 0.16742001260668 0.00000000000000 208.980 > 117 118 Bi 0.58274726459327 0.16742001260668 0.00000000000000 208.980 > 117 119 Bi 0.08274726459327 0.16742001260668 0.50000000000000 208.980 > 117 120 Bi 0.58274726459327 0.16742001260668 0.50000000000000 208.980 > 117 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.5029223 0.0000000 0.0000000 0.0000000 4.5070639 0.0000000 0.0000000 0.0000000 4.1181170 -------------------------- Born effective charges -------------------------- 1 O -1.9205134 0.0835267 0.0000000 0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 2 O -1.9205134 0.0835267 0.0000000 0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 3 O -1.9205134 -0.0835267 0.0000000 -0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 4 O -1.9205134 -0.0835267 0.0000000 -0.5097179 -3.6651153 0.0000000 0.0000000 0.0000000 -1.5456693 5 O -2.2214219 -0.2062266 0.0000000 -0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 6 O -2.2214219 -0.2062266 0.0000000 -0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 7 O -2.2214219 0.2062266 0.0000000 0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 8 O -2.2214219 0.2062266 0.0000000 0.3526445 -1.6095055 0.0000000 0.0000000 0.0000000 -2.2370581 9 O -2.3727050 0.1252271 -0.3461939 -0.0549439 -1.9468140 0.3286056 -0.4474280 0.3295437 -2.2559334 10 O -2.3727050 0.1252271 0.3461939 -0.0549439 -1.9468140 -0.3286056 0.4474280 -0.3295437 -2.2559334 11 O -2.3727050 -0.1252271 0.3461939 0.0549439 -1.9468140 0.3286056 0.4474280 0.3295437 -2.2559334 12 O -2.3727050 -0.1252271 -0.3461939 0.0549439 -1.9468140 -0.3286056 -0.4474280 -0.3295437 -2.2559334 13 O -2.1400473 0.6047065 0.0000000 0.4464259 -2.2808378 0.0000000 0.0000000 0.0000000 -2.1597380 14 O -2.1400473 -0.6047065 0.0000000 -0.4464259 -2.2808378 0.0000000 0.0000000 0.0000000 -2.1597380 15 O -2.3727050 -0.1252271 -0.3461939 0.0549439 -1.9468140 -0.3286056 -0.4474280 -0.3295437 -2.2559334 16 O -2.3727050 -0.1252271 0.3461939 0.0549439 -1.9468140 0.3286056 0.4474280 0.3295437 -2.2559334 17 O -2.3727050 0.1252271 0.3461939 -0.0549439 -1.9468140 -0.3286056 0.4474280 -0.3295437 -2.2559334 18 O -2.3727050 0.1252271 -0.3461939 -0.0549439 -1.9468140 0.3286056 -0.4474280 0.3295437 -2.2559334 19 Al 2.6180909 -0.0797275 0.0000000 0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 20 Al 2.6180909 -0.0797275 0.0000000 0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 21 Al 2.6180909 0.0797275 0.0000000 -0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 22 Al 2.6180909 0.0797275 0.0000000 -0.0632221 2.7796076 0.0000000 0.0000000 0.0000000 3.1202050 23 Al 2.7962266 0.3393469 0.0000000 -0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 24 Al 2.7962266 -0.3393469 0.0000000 0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 25 Al 2.7962266 0.3393469 0.0000000 -0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 26 Al 2.7962266 -0.3393469 0.0000000 0.1286867 2.7690103 0.0000000 0.0000000 0.0000000 3.0892246 27 Bi 4.5430513 0.8422222 0.0000000 1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 28 Bi 4.5430513 0.8422222 0.0000000 1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 29 Bi 4.5430513 -0.8422222 0.0000000 -1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 30 Bi 4.5430513 -0.8422222 0.0000000 -1.2020597 4.7600498 0.0000000 0.0000000 0.0000000 3.1650335 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000002 (zzz) 0.00000002 (zzz) 0.00000002 (zzz) 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 ... [ 7 6 9 ] 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: 0.58, Number of G-points: 311, Lambda: 0.13 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/80) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 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 1.052 ( 0.000 0.000 0.000) 0.000 2.065 ( 0.000 0.000 0.000) 0.000 2.081 ( 0.000 0.000 0.000) 0.000 2.714 ( 0.000 0.000 0.000) 0.000 2.837 ( 0.000 0.000 0.000) 0.000 3.094 ( 0.000 0.000 0.000) 0.000 3.469 ( 0.000 0.000 0.000) 0.000 3.531 ( 0.000 0.000 0.000) 0.000 3.765 ( 0.000 0.000 0.000) 0.000 4.181 ( 0.000 0.000 0.000) 0.000 4.477 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.584 ( 0.000 0.000 0.000) 0.000 4.666 ( 0.000 0.000 0.000) 0.000 4.988 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.453 ( 0.000 0.000 0.000) 0.000 5.720 ( 0.000 0.000 0.000) 0.000 7.076 ( 0.000 0.000 0.000) 0.000 7.127 ( 0.000 0.000 0.000) 0.000 7.243 ( 0.000 0.000 0.000) 0.000 7.783 ( 0.000 0.000 0.000) 0.000 7.908 ( 0.000 0.000 0.000) 0.000 8.094 ( 0.000 0.000 0.000) 0.000 8.203 ( 0.000 0.000 0.000) 0.000 8.224 ( 0.000 0.000 0.000) 0.000 8.383 ( 0.000 0.000 0.000) 0.000 8.846 ( 0.000 0.000 0.000) 0.000 9.019 ( 0.000 0.000 0.000) 0.000 9.518 ( 0.000 0.000 0.000) 0.000 9.855 ( 0.000 0.000 0.000) 0.000 9.909 ( 0.000 0.000 0.000) 0.000 10.131 ( 0.000 0.000 0.000) 0.000 10.356 ( 0.000 0.000 0.000) 0.000 10.556 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 10.964 ( 0.000 0.000 0.000) 0.000 11.076 ( 0.000 0.000 0.000) 0.000 11.198 ( 0.000 0.000 0.000) 0.000 11.201 ( 0.000 0.000 0.000) 0.000 11.453 ( 0.000 0.000 0.000) 0.000 11.544 ( 0.000 0.000 0.000) 0.000 12.110 ( 0.000 0.000 0.000) 0.000 12.276 ( 0.000 0.000 0.000) 0.000 12.370 ( 0.000 0.000 0.000) 0.000 12.707 ( 0.000 0.000 0.000) 0.000 13.178 ( 0.000 0.000 0.000) 0.000 13.464 ( 0.000 0.000 0.000) 0.000 13.715 ( 0.000 0.000 0.000) 0.000 13.742 ( 0.000 0.000 0.000) 0.000 13.832 ( 0.000 0.000 0.000) 0.000 14.362 ( 0.000 0.000 0.000) 0.000 14.367 ( 0.000 0.000 0.000) 0.000 14.556 ( 0.000 0.000 0.000) 0.000 14.561 ( 0.000 0.000 0.000) 0.000 14.762 ( 0.000 0.000 0.000) 0.000 14.853 ( 0.000 0.000 0.000) 0.000 15.044 ( 0.000 0.000 0.000) 0.000 15.172 ( 0.000 0.000 0.000) 0.000 15.387 ( 0.000 0.000 0.000) 0.000 15.833 ( 0.000 0.000 0.000) 0.000 16.331 ( 0.000 0.000 0.000) 0.000 16.405 ( 0.000 0.000 0.000) 0.000 16.716 ( 0.000 0.000 0.000) 0.000 16.759 ( 0.000 0.000 0.000) 0.000 16.981 ( 0.000 0.000 0.000) 0.000 17.449 ( 0.000 0.000 0.000) 0.000 17.688 ( 0.000 0.000 0.000) 0.000 18.179 ( 0.000 0.000 0.000) 0.000 18.351 ( 0.000 0.000 0.000) 0.000 18.406 ( 0.000 0.000 0.000) 0.000 18.469 ( 0.000 0.000 0.000) 0.000 18.908 ( 0.000 0.000 0.000) 0.000 20.744 ( 0.000 0.000 0.000) 0.000 20.757 ( 0.000 0.000 0.000) 0.000 20.859 ( 0.000 0.000 0.000) 0.000 20.992 ( 0.000 0.000 0.000) 0.000 21.708 ( 0.000 0.000 0.000) 0.000 22.272 ( 0.000 0.000 0.000) 0.000 22.628 ( 0.000 0.000 0.000) 0.000 22.855 ( 0.000 0.000 0.000) 0.000 22.874 ( 0.000 0.000 0.000) 0.000 23.027 ( 0.000 0.000 0.000) 0.000 25.125 ( 0.000 0.000 0.000) 0.000 25.778 ( 0.000 0.000 0.000) 0.000 27.607 ( 0.000 0.000 0.000) 0.000 27.789 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/80) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.554 ( 28.414 0.000 0.000) 28.414 0.727 ( 37.910 0.000 0.000) 37.910 0.950 ( 48.212 0.000 0.000) 48.212 1.107 ( 5.497 0.000 0.000) 5.497 2.045 ( -2.070 0.000 0.000) 2.070 2.082 ( -0.057 0.000 0.000) 0.057 2.720 ( 0.231 0.000 0.000) 0.231 2.829 ( -2.131 0.000 0.000) 2.131 3.037 ( -4.396 0.000 0.000) 4.396 3.410 ( -5.758 0.000 0.000) 5.758 3.593 ( 6.189 0.000 0.000) 6.189 3.801 ( 3.852 0.000 0.000) 3.852 4.142 ( -3.353 0.000 0.000) 3.353 4.447 ( -3.172 0.000 0.000) 3.172 4.501 ( 1.258 0.000 0.000) 1.258 4.679 ( 7.800 0.000 0.000) 7.800 4.979 ( -2.857 0.000 0.000) 2.857 5.119 ( 14.438 0.000 0.000) 14.438 5.215 ( -11.390 0.000 0.000) 11.390 5.900 ( 15.614 0.000 0.000) 15.614 5.953 ( 0.144 0.000 0.000) 0.144 6.983 ( -13.445 0.000 0.000) 13.445 7.142 ( 6.853 0.000 0.000) 6.853 7.216 ( -3.102 0.000 0.000) 3.102 7.685 ( -18.503 0.000 0.000) 18.503 8.026 ( 14.836 0.000 0.000) 14.836 8.050 ( -9.867 0.000 0.000) 9.867 8.105 ( -4.882 0.000 0.000) 4.882 8.182 ( -5.023 0.000 0.000) 5.023 8.385 ( 1.130 0.000 0.000) 1.130 8.839 ( -0.822 0.000 0.000) 0.822 8.963 ( -3.394 0.000 0.000) 3.394 9.503 ( -1.725 0.000 0.000) 1.725 9.630 ( -9.855 0.000 0.000) 9.855 10.099 ( -3.327 0.000 0.000) 3.327 10.218 ( -11.728 0.000 0.000) 11.728 10.247 ( 20.194 0.000 0.000) 20.194 10.823 ( 1.578 0.000 0.000) 1.578 10.923 ( -2.029 0.000 0.000) 2.029 11.170 ( 8.596 0.000 0.000) 8.596 11.178 ( -2.418 0.000 0.000) 2.418 11.238 ( 14.638 0.000 0.000) 14.638 11.449 ( -1.480 0.000 0.000) 1.480 11.561 ( 2.858 0.000 0.000) 2.858 12.068 ( -2.982 0.000 0.000) 2.982 12.122 ( 1.126 0.000 0.000) 1.126 12.292 ( 1.596 0.000 0.000) 1.596 12.463 ( 7.550 0.000 0.000) 7.550 12.775 ( 7.133 0.000 0.000) 7.133 13.042 ( -13.000 0.000 0.000) 13.000 13.477 ( 0.763 0.000 0.000) 0.763 13.661 ( -15.525 0.000 0.000) 15.525 13.715 ( -1.202 0.000 0.000) 1.202 13.802 ( 6.373 0.000 0.000) 6.373 14.295 ( -6.618 0.000 0.000) 6.618 14.468 ( 7.167 0.000 0.000) 7.167 14.530 ( -1.649 0.000 0.000) 1.649 14.607 ( 3.393 0.000 0.000) 3.393 14.759 ( -0.294 0.000 0.000) 0.294 14.815 ( -24.463 0.000 0.000) 24.463 15.010 ( -3.743 0.000 0.000) 3.743 15.553 ( 2.543 0.000 0.000) 2.543 15.930 ( 12.242 0.000 0.000) 12.242 16.162 ( 12.980 0.000 0.000) 12.980 16.383 ( 5.370 0.000 0.000) 5.370 16.702 ( -1.278 0.000 0.000) 1.278 16.786 ( 2.534 0.000 0.000) 2.534 16.953 ( -2.949 0.000 0.000) 2.949 17.466 ( 1.730 0.000 0.000) 1.730 17.674 ( 3.703 0.000 0.000) 3.703 17.680 ( -0.861 0.000 0.000) 0.861 18.184 ( 0.476 0.000 0.000) 0.476 18.294 ( -5.260 0.000 0.000) 5.260 18.422 ( -3.640 0.000 0.000) 3.640 18.523 ( 0.329 0.000 0.000) 0.329 18.920 ( 0.493 0.000 0.000) 0.493 20.742 ( -0.218 0.000 0.000) 0.218 20.755 ( -0.228 0.000 0.000) 0.228 20.871 ( 1.171 0.000 0.000) 1.171 20.988 ( -0.383 0.000 0.000) 0.383 21.732 ( 2.617 0.000 0.000) 2.617 22.321 ( -2.177 0.000 0.000) 2.177 22.598 ( -2.903 0.000 0.000) 2.903 22.751 ( -7.884 0.000 0.000) 7.884 23.194 ( 12.503 0.000 0.000) 12.503 24.354 ( -9.405 0.000 0.000) 9.405 25.208 ( 7.537 0.000 0.000) 7.537 25.748 ( -3.042 0.000 0.000) 3.042 27.643 ( 3.742 0.000 0.000) 3.742 28.179 ( -3.141 0.000 0.000) 3.141 ======================= Grid point 2 (3/80) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( 21.764 0.000 0.000) 21.764 1.235 ( 7.607 0.000 0.000) 7.607 1.391 ( 33.035 0.000 0.000) 33.035 1.744 ( 36.116 0.000 0.000) 36.116 1.995 ( -2.894 0.000 0.000) 2.894 2.068 ( -1.809 0.000 0.000) 1.809 2.692 ( -12.640 0.000 0.000) 12.640 2.698 ( -3.246 0.000 0.000) 3.246 3.011 ( 1.761 0.000 0.000) 1.761 3.283 ( -7.148 0.000 0.000) 7.148 3.742 ( 9.045 0.000 0.000) 9.045 3.905 ( 7.147 0.000 0.000) 7.147 4.072 ( -4.053 0.000 0.000) 4.053 4.360 ( -6.121 0.000 0.000) 6.121 4.541 ( 3.262 0.000 0.000) 3.262 4.816 ( 6.612 0.000 0.000) 6.612 4.926 ( -1.844 0.000 0.000) 1.844 4.991 ( -12.081 0.000 0.000) 12.081 5.487 ( 22.338 0.000 0.000) 22.338 5.949 ( -0.696 0.000 0.000) 0.696 6.234 ( 19.428 0.000 0.000) 19.428 6.792 ( -5.762 0.000 0.000) 5.762 7.115 ( -8.044 0.000 0.000) 8.044 7.311 ( -20.431 0.000 0.000) 20.431 7.316 ( 11.440 0.000 0.000) 11.440 7.734 ( -20.275 0.000 0.000) 20.275 7.811 ( -16.771 0.000 0.000) 16.771 8.031 ( -10.793 0.000 0.000) 10.793 8.445 ( 5.231 0.000 0.000) 5.231 8.467 ( 22.674 0.000 0.000) 22.674 8.805 ( -3.238 0.000 0.000) 3.238 8.961 ( 3.161 0.000 0.000) 3.161 9.444 ( -5.004 0.000 0.000) 5.004 9.462 ( -9.371 0.000 0.000) 9.371 10.010 ( -9.172 0.000 0.000) 9.172 10.017 ( -5.050 0.000 0.000) 5.050 10.594 ( 16.160 0.000 0.000) 16.160 10.868 ( 3.221 0.000 0.000) 3.221 10.901 ( -0.563 0.000 0.000) 0.563 11.115 ( -4.119 0.000 0.000) 4.119 11.299 ( 3.724 0.000 0.000) 3.724 11.387 ( -4.622 0.000 0.000) 4.622 11.546 ( 17.417 0.000 0.000) 17.417 11.660 ( 7.266 0.000 0.000) 7.266 12.039 ( -0.731 0.000 0.000) 0.731 12.139 ( 0.128 0.000 0.000) 0.128 12.327 ( 1.973 0.000 0.000) 1.973 12.592 ( 6.761 0.000 0.000) 6.761 12.756 ( -16.395 0.000 0.000) 16.395 12.960 ( 12.225 0.000 0.000) 12.225 13.438 ( -7.277 0.000 0.000) 7.277 13.485 ( -0.577 0.000 0.000) 0.577 13.638 ( -7.165 0.000 0.000) 7.165 13.968 ( 10.908 0.000 0.000) 10.908 14.158 ( -7.350 0.000 0.000) 7.350 14.388 ( -18.883 0.000 0.000) 18.883 14.482 ( -3.893 0.000 0.000) 3.893 14.555 ( 0.103 0.000 0.000) 0.103 14.672 ( 3.145 0.000 0.000) 3.145 14.751 ( -0.559 0.000 0.000) 0.559 14.946 ( -0.452 0.000 0.000) 0.452 15.471 ( -8.985 0.000 0.000) 8.985 16.207 ( 14.703 0.000 0.000) 14.703 16.403 ( 10.428 0.000 0.000) 10.428 16.517 ( 8.511 0.000 0.000) 8.511 16.684 ( -0.171 0.000 0.000) 0.171 16.827 ( 0.988 0.000 0.000) 0.988 16.878 ( -4.886 0.000 0.000) 4.886 17.509 ( 2.748 0.000 0.000) 2.748 17.656 ( -1.763 0.000 0.000) 1.763 17.785 ( 7.968 0.000 0.000) 7.968 18.154 ( -5.407 0.000 0.000) 5.407 18.229 ( 0.652 0.000 0.000) 0.652 18.360 ( -2.685 0.000 0.000) 2.685 18.524 ( 0.490 0.000 0.000) 0.490 18.891 ( -4.206 0.000 0.000) 4.206 20.739 ( -0.102 0.000 0.000) 0.102 20.749 ( -0.345 0.000 0.000) 0.345 20.899 ( 1.683 0.000 0.000) 1.683 20.977 ( -0.815 0.000 0.000) 0.815 21.809 ( 5.771 0.000 0.000) 5.771 22.249 ( -5.773 0.000 0.000) 5.773 22.541 ( -2.557 0.000 0.000) 2.557 22.625 ( -5.506 0.000 0.000) 5.506 23.439 ( 13.440 0.000 0.000) 13.440 24.149 ( -11.927 0.000 0.000) 11.927 25.358 ( 7.864 0.000 0.000) 7.864 25.675 ( -4.432 0.000 0.000) 4.432 27.737 ( 6.001 0.000 0.000) 6.001 28.097 ( -5.442 0.000 0.000) 5.442 ======================= Grid point 3 (4/80) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.323 ( 8.770 0.000 0.000) 8.770 1.355 ( 3.975 0.000 0.000) 3.975 1.945 ( 26.234 0.000 0.000) 26.234 1.964 ( 0.385 0.000 0.000) 0.385 2.012 ( -3.785 0.000 0.000) 3.785 2.258 ( 14.372 0.000 0.000) 14.372 2.407 ( -12.692 0.000 0.000) 12.692 2.579 ( -10.112 0.000 0.000) 10.112 3.070 ( 4.133 0.000 0.000) 4.133 3.161 ( -5.729 0.000 0.000) 5.729 3.895 ( 6.681 0.000 0.000) 6.681 3.994 ( -4.472 0.000 0.000) 4.472 4.058 ( 8.964 0.000 0.000) 8.964 4.223 ( -8.431 0.000 0.000) 8.431 4.630 ( 6.384 0.000 0.000) 6.384 4.782 ( -9.969 0.000 0.000) 9.969 4.913 ( 3.230 0.000 0.000) 3.230 4.926 ( 1.058 0.000 0.000) 1.058 5.831 ( 11.956 0.000 0.000) 11.956 5.931 ( -1.416 0.000 0.000) 1.416 6.596 ( 18.790 0.000 0.000) 18.790 6.783 ( 4.678 0.000 0.000) 4.678 6.908 ( -14.223 0.000 0.000) 14.223 6.967 ( -15.107 0.000 0.000) 15.107 7.453 ( -6.627 0.000 0.000) 6.627 7.521 ( -12.163 0.000 0.000) 12.163 7.551 ( 13.367 0.000 0.000) 13.367 7.802 ( -13.314 0.000 0.000) 13.314 8.570 ( 7.754 0.000 0.000) 7.754 8.711 ( -6.768 0.000 0.000) 6.768 8.857 ( 18.244 0.000 0.000) 18.244 9.040 ( 2.067 0.000 0.000) 2.067 9.278 ( -7.958 0.000 0.000) 7.958 9.317 ( -7.784 0.000 0.000) 7.784 9.907 ( -1.817 0.000 0.000) 1.817 9.930 ( -3.676 0.000 0.000) 3.676 10.822 ( 7.863 0.000 0.000) 7.863 10.893 ( -0.910 0.000 0.000) 0.910 10.941 ( 4.538 0.000 0.000) 4.538 11.030 ( -4.862 0.000 0.000) 4.862 11.308 ( -1.310 0.000 0.000) 1.310 11.311 ( -2.496 0.000 0.000) 2.496 11.816 ( 9.130 0.000 0.000) 9.130 11.862 ( 15.882 0.000 0.000) 15.882 11.975 ( -6.863 0.000 0.000) 6.863 12.089 ( -7.048 0.000 0.000) 7.048 12.369 ( 3.053 0.000 0.000) 3.053 12.486 ( -10.880 0.000 0.000) 10.880 12.803 ( 17.140 0.000 0.000) 17.140 13.171 ( -19.716 0.000 0.000) 19.716 13.209 ( 13.932 0.000 0.000) 13.932 13.456 ( -12.033 0.000 0.000) 12.033 13.625 ( 13.434 0.000 0.000) 13.434 13.920 ( -17.019 0.000 0.000) 17.019 14.184 ( 11.544 0.000 0.000) 11.544 14.283 ( 5.743 0.000 0.000) 5.743 14.372 ( -8.160 0.000 0.000) 8.160 14.447 ( -9.610 0.000 0.000) 9.610 14.716 ( 1.640 0.000 0.000) 1.640 14.738 ( -0.868 0.000 0.000) 0.868 15.049 ( 10.139 0.000 0.000) 10.139 15.266 ( -12.186 0.000 0.000) 12.186 16.428 ( 8.461 0.000 0.000) 8.461 16.506 ( 0.467 0.000 0.000) 0.467 16.678 ( 8.225 0.000 0.000) 8.225 16.708 ( 2.787 0.000 0.000) 2.787 16.783 ( -4.940 0.000 0.000) 4.940 16.799 ( -4.214 0.000 0.000) 4.214 17.563 ( 2.964 0.000 0.000) 2.964 17.615 ( -2.554 0.000 0.000) 2.554 17.934 ( 6.979 0.000 0.000) 6.979 18.046 ( -5.672 0.000 0.000) 5.672 18.267 ( 2.749 0.000 0.000) 2.749 18.318 ( -2.369 0.000 0.000) 2.369 18.587 ( 7.135 0.000 0.000) 7.135 18.759 ( -9.510 0.000 0.000) 9.510 20.739 ( 0.131 0.000 0.000) 0.131 20.743 ( -0.305 0.000 0.000) 0.305 20.930 ( 1.632 0.000 0.000) 1.632 20.958 ( -1.273 0.000 0.000) 1.273 21.944 ( 8.468 0.000 0.000) 8.468 22.110 ( -8.765 0.000 0.000) 8.765 22.518 ( 0.187 0.000 0.000) 0.187 22.547 ( -2.888 0.000 0.000) 2.888 23.686 ( 12.984 0.000 0.000) 12.984 23.922 ( -12.427 0.000 0.000) 12.427 25.488 ( 6.080 0.000 0.000) 6.080 25.589 ( -4.914 0.000 0.000) 4.914 27.858 ( 6.792 0.000 0.000) 6.792 27.984 ( -6.602 0.000 0.000) 6.602 ======================= Grid point 7 (5/80) ======================= q-point: ( 0.00 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.709 ( 0.000 33.203 0.000) 33.203 0.761 ( 0.000 36.128 0.000) 36.128 0.912 ( 0.000 44.481 0.000) 44.481 1.085 ( 0.000 3.648 0.000) 3.648 2.009 ( 0.000 -7.039 0.000) 7.039 2.054 ( 0.000 -1.361 0.000) 1.361 2.747 ( 0.000 -10.042 0.000) 10.042 2.954 ( 0.000 8.284 0.000) 8.284 3.148 ( 0.000 5.016 0.000) 5.016 3.308 ( 0.000 -10.512 0.000) 10.512 3.559 ( 0.000 -2.896 0.000) 2.896 3.743 ( 0.000 -1.455 0.000) 1.455 3.989 ( 0.000 -14.067 0.000) 14.067 4.384 ( 0.000 -8.782 0.000) 8.782 4.540 ( 0.000 4.877 0.000) 4.877 4.713 ( 0.000 1.771 0.000) 1.771 4.766 ( 0.000 5.554 0.000) 5.554 5.445 ( 0.000 8.660 0.000) 8.660 5.563 ( 0.000 -13.686 0.000) 13.686 5.602 ( 0.000 14.313 0.000) 14.313 5.813 ( 0.000 10.180 0.000) 10.180 6.818 ( 0.000 -16.891 0.000) 16.891 7.167 ( 0.000 2.751 0.000) 2.751 7.476 ( 0.000 14.258 0.000) 14.258 7.580 ( 0.000 -17.240 0.000) 17.240 7.948 ( 0.000 2.893 0.000) 2.893 8.141 ( 0.000 -3.931 0.000) 3.931 8.152 ( 0.000 0.473 0.000) 0.473 8.334 ( 0.000 -4.543 0.000) 4.543 8.406 ( 0.000 16.466 0.000) 16.466 8.868 ( 0.000 -9.519 0.000) 9.519 8.936 ( 0.000 8.173 0.000) 8.173 9.788 ( 0.000 -5.685 0.000) 5.685 9.820 ( 0.000 19.961 0.000) 19.961 10.069 ( 0.000 -5.592 0.000) 5.592 10.270 ( 0.000 -10.253 0.000) 10.253 10.282 ( 0.000 -7.533 0.000) 7.533 10.465 ( 0.000 -7.190 0.000) 7.190 10.873 ( 0.000 4.979 0.000) 4.979 11.024 ( 0.000 3.430 0.000) 3.430 11.042 ( 0.000 -2.812 0.000) 2.812 11.215 ( 0.000 2.657 0.000) 2.657 11.235 ( 0.000 4.060 0.000) 4.060 11.456 ( 0.000 -6.699 0.000) 6.699 11.579 ( 0.000 8.815 0.000) 8.815 12.032 ( 0.000 -6.716 0.000) 6.716 12.288 ( 0.000 1.370 0.000) 1.370 12.651 ( 0.000 20.161 0.000) 20.161 12.782 ( 0.000 5.925 0.000) 5.925 13.174 ( 0.000 -0.502 0.000) 0.502 13.285 ( 0.000 -21.324 0.000) 21.324 13.314 ( 0.000 -7.752 0.000) 7.752 13.694 ( 0.000 -13.225 0.000) 13.225 14.124 ( 0.000 16.961 0.000) 16.961 14.545 ( 0.000 -19.258 0.000) 19.258 14.554 ( 0.000 -0.214 0.000) 0.214 14.571 ( 0.000 1.112 0.000) 1.112 14.615 ( 0.000 11.173 0.000) 11.173 14.760 ( 0.000 -0.283 0.000) 0.283 14.868 ( 0.000 5.555 0.000) 5.555 15.303 ( 0.000 15.526 0.000) 15.526 15.336 ( 0.000 4.954 0.000) 4.954 15.876 ( 0.000 2.539 0.000) 2.539 16.229 ( 0.000 -5.743 0.000) 5.743 16.380 ( 0.000 -4.224 0.000) 4.224 16.680 ( 0.000 -7.287 0.000) 7.287 16.705 ( 0.000 -0.978 0.000) 0.978 16.903 ( 0.000 -6.296 0.000) 6.296 17.512 ( 0.000 4.949 0.000) 4.949 17.691 ( 0.000 0.215 0.000) 0.215 18.150 ( 0.000 -2.367 0.000) 2.367 18.274 ( 0.000 -1.004 0.000) 1.004 18.421 ( 0.000 0.637 0.000) 0.637 18.432 ( 0.000 -2.790 0.000) 2.790 18.613 ( 0.000 13.183 0.000) 13.183 19.363 ( 0.000 -2.353 0.000) 2.353 20.746 ( 0.000 0.155 0.000) 0.155 20.760 ( 0.000 0.224 0.000) 0.224 20.864 ( 0.000 0.510 0.000) 0.510 20.982 ( 0.000 -0.943 0.000) 0.943 22.297 ( 0.000 2.358 0.000) 2.358 22.528 ( 0.000 -1.447 0.000) 1.447 22.608 ( 0.000 -2.018 0.000) 2.018 22.762 ( 0.000 -6.689 0.000) 6.689 23.105 ( 0.000 5.264 0.000) 5.264 23.348 ( 0.000 -0.710 0.000) 0.710 25.167 ( 0.000 4.084 0.000) 4.084 25.731 ( 0.000 -4.418 0.000) 4.418 27.823 ( 0.000 3.283 0.000) 3.283 28.288 ( 0.000 -3.707 0.000) 3.707 ======================= Grid point 8 (6/80) ======================= q-point: ( 0.14 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 14.342 18.639 0.000) 23.518 0.856 ( 13.284 21.811 0.000) 25.538 1.156 ( 7.465 6.248 0.000) 9.735 1.506 ( 36.078 31.333 0.000) 47.785 1.939 ( -4.563 -8.067 0.000) 9.268 2.106 ( 2.574 -0.207 0.000) 2.583 2.667 ( -5.775 -6.013 0.000) 8.337 2.926 ( -3.675 6.144 0.000) 7.159 3.045 ( -6.410 0.903 0.000) 6.473 3.296 ( -1.545 -7.918 0.000) 8.067 3.616 ( 4.910 -0.336 0.000) 4.922 3.776 ( 3.496 -1.826 0.000) 3.944 3.988 ( -1.141 -12.049 0.000) 12.103 4.357 ( -2.849 -8.489 0.000) 8.955 4.550 ( 1.141 4.765 0.000) 4.899 4.816 ( 8.429 7.377 0.000) 11.202 4.951 ( 16.906 -2.264 0.000) 17.057 5.235 ( -12.851 0.579 0.000) 12.864 5.409 ( -10.089 21.505 0.000) 23.754 5.821 ( 17.885 -4.949 0.000) 18.557 5.908 ( 3.966 3.259 0.000) 5.133 6.855 ( 3.342 -16.777 0.000) 17.107 7.004 ( -12.237 1.396 0.000) 12.316 7.476 ( 0.231 14.016 0.000) 14.018 7.537 ( -11.275 -12.291 0.000) 16.679 7.930 ( -12.911 -2.320 0.000) 13.118 8.002 ( 7.611 -5.958 0.000) 9.665 8.236 ( -8.228 0.296 0.000) 8.234 8.263 ( 2.196 8.310 0.000) 8.595 8.458 ( 3.553 10.852 0.000) 11.419 8.904 ( 4.103 -2.785 0.000) 4.959 8.932 ( -0.690 8.335 0.000) 8.364 9.600 ( -17.170 3.247 0.000) 17.474 9.808 ( -6.846 13.467 0.000) 15.107 9.994 ( -6.397 -7.352 0.000) 9.746 10.122 ( 12.790 -10.650 0.000) 16.644 10.255 ( -3.492 -0.002 0.000) 3.492 10.732 ( 1.358 -19.579 0.000) 19.626 10.869 ( 0.227 4.052 0.000) 4.058 11.120 ( 5.210 -5.507 0.000) 7.581 11.127 ( 11.332 -1.294 0.000) 11.406 11.226 ( 1.237 0.405 0.000) 1.301 11.370 ( -5.566 -4.094 0.000) 6.910 11.537 ( 19.593 -7.273 0.000) 20.900 11.678 ( 8.825 0.921 0.000) 8.873 12.037 ( -0.221 -7.998 0.000) 8.001 12.325 ( 3.998 3.374 0.000) 5.231 12.689 ( 4.379 20.457 0.000) 20.920 12.831 ( 5.290 4.679 0.000) 7.063 13.034 ( -10.165 -1.530 0.000) 10.279 13.281 ( -2.957 -11.206 0.000) 11.590 13.396 ( 7.065 -15.866 0.000) 17.368 13.619 ( -6.182 -7.491 0.000) 9.712 14.102 ( -1.884 14.705 0.000) 14.825 14.419 ( -10.153 -13.338 0.000) 16.763 14.530 ( -1.829 -0.073 0.000) 1.830 14.613 ( 3.113 0.622 0.000) 3.174 14.628 ( -13.318 9.907 0.000) 16.599 14.727 ( -1.040 8.540 0.000) 8.604 14.756 ( -0.379 -0.373 0.000) 0.532 15.122 ( -4.640 10.886 0.000) 11.834 15.693 ( 13.262 10.627 0.000) 16.994 15.885 ( 5.620 -4.075 0.000) 6.942 16.191 ( 0.441 0.149 0.000) 0.465 16.401 ( 2.911 -3.381 0.000) 4.461 16.692 ( -1.010 -0.772 0.000) 1.271 16.704 ( 2.028 -7.512 0.000) 7.781 16.902 ( -0.412 -4.313 0.000) 4.333 17.511 ( 0.054 3.774 0.000) 3.774 17.681 ( -1.041 0.052 0.000) 1.042 17.934 ( -19.905 7.626 0.000) 21.316 18.174 ( -0.010 -0.540 0.000) 0.540 18.326 ( -8.698 -2.757 0.000) 9.125 18.413 ( -2.071 -3.235 0.000) 3.841 18.639 ( 2.055 16.582 0.000) 16.709 19.206 ( -6.763 13.439 0.000) 15.044 20.744 ( -0.146 0.224 0.000) 0.267 20.760 ( -0.067 0.393 0.000) 0.399 20.873 ( 0.923 0.257 0.000) 0.958 20.978 ( -0.384 -0.942 0.000) 1.017 21.986 ( -13.096 14.989 0.000) 19.904 22.365 ( -3.548 4.140 0.000) 5.453 22.567 ( -3.709 -3.142 0.000) 4.861 22.712 ( -5.734 -3.395 0.000) 6.664 23.216 ( 12.007 2.395 0.000) 12.243 23.960 ( 22.243 -22.384 0.000) 31.557 25.197 ( 4.195 2.273 0.000) 4.771 25.715 ( -2.254 -3.846 0.000) 4.457 27.751 ( -3.463 6.019 0.000) 6.944 28.199 ( -6.118 -0.808 0.000) 6.171 ======================= Grid point 9 (7/80) ======================= q-point: ( 0.29 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.109 ( 12.536 5.412 0.000) 13.655 1.112 ( 31.629 -8.580 0.000) 32.772 1.334 ( 9.790 10.704 0.000) 14.506 1.871 ( -1.816 -8.676 0.000) 8.864 2.098 ( 25.303 18.992 0.000) 31.638 2.121 ( -1.349 1.733 0.000) 2.196 2.525 ( -10.824 -7.111 0.000) 12.951 2.812 ( -6.427 2.829 0.000) 7.022 2.990 ( 0.056 -2.370 0.000) 2.371 3.246 ( -3.856 -2.483 0.000) 4.587 3.731 ( 6.866 -1.337 0.000) 6.995 3.871 ( 6.581 -2.800 0.000) 7.152 3.952 ( -2.278 -8.861 0.000) 9.149 4.280 ( -5.379 -7.554 0.000) 9.274 4.586 ( 2.936 4.397 0.000) 5.287 4.966 ( 7.456 9.860 0.000) 12.362 5.006 ( -11.677 1.088 0.000) 11.727 5.151 ( -0.436 17.438 0.000) 17.444 5.473 ( 19.432 -0.181 0.000) 19.433 5.950 ( 1.060 3.350 0.000) 3.514 6.177 ( 19.778 -4.195 0.000) 20.218 6.828 ( -5.503 1.710 0.000) 5.762 6.898 ( -0.290 -14.716 0.000) 14.719 7.244 ( -17.047 -4.539 0.000) 17.641 7.504 ( 3.599 11.844 0.000) 12.379 7.629 ( -15.975 -3.453 0.000) 16.344 7.975 ( -15.541 6.035 0.000) 16.672 8.051 ( -11.298 0.872 0.000) 11.331 8.413 ( 16.316 -1.528 0.000) 16.387 8.534 ( 4.969 8.747 0.000) 10.059 8.894 ( -3.800 7.724 0.000) 8.608 9.018 ( 7.054 5.278 0.000) 8.810 9.336 ( -10.442 -5.122 0.000) 11.630 9.677 ( -7.943 13.162 0.000) 15.373 9.894 ( -3.100 -4.532 0.000) 5.491 10.150 ( -7.250 6.157 0.000) 9.511 10.395 ( 13.777 -17.055 0.000) 21.925 10.712 ( -1.339 -18.146 0.000) 18.195 10.892 ( 2.236 2.165 0.000) 3.113 11.108 ( -3.804 -0.436 0.000) 3.829 11.227 ( -4.424 -14.121 0.000) 14.798 11.328 ( 4.832 4.857 0.000) 6.851 11.381 ( 12.266 -13.366 0.000) 18.141 11.752 ( 5.348 5.482 0.000) 7.659 11.861 ( 8.886 -8.361 0.000) 12.201 11.992 ( -5.141 -13.568 0.000) 14.509 12.425 ( 6.283 8.975 0.000) 10.955 12.763 ( 2.272 16.370 0.000) 16.527 12.838 ( -9.582 6.382 0.000) 11.513 12.983 ( 10.148 1.717 0.000) 10.292 13.288 ( 4.713 -12.852 0.000) 13.689 13.485 ( 1.098 -11.371 0.000) 11.424 13.511 ( -4.974 -3.052 0.000) 5.836 14.091 ( 2.049 8.649 0.000) 8.888 14.155 ( -13.136 -1.430 0.000) 13.214 14.444 ( -8.098 12.641 0.000) 15.013 14.477 ( -4.225 -0.564 0.000) 4.262 14.595 ( -12.586 -1.420 0.000) 12.666 14.668 ( 2.531 -0.262 0.000) 2.544 14.745 ( -0.808 -0.699 0.000) 1.069 15.129 ( 5.372 17.123 0.000) 17.946 15.663 ( -8.113 13.221 0.000) 15.512 16.181 ( 17.087 -4.968 0.000) 17.795 16.307 ( 10.304 -3.767 0.000) 10.971 16.477 ( 4.262 -4.403 0.000) 6.128 16.686 ( 0.809 0.489 0.000) 0.945 16.729 ( -0.119 -8.502 0.000) 8.503 16.875 ( -2.696 -0.563 0.000) 2.754 17.521 ( 1.216 1.247 0.000) 1.741 17.652 ( -2.074 -0.400 0.000) 2.112 17.727 ( -3.135 -2.473 0.000) 3.993 18.130 ( -11.121 -5.872 0.000) 12.576 18.191 ( 1.181 -2.068 0.000) 2.381 18.358 ( -3.490 -2.825 0.000) 4.490 18.701 ( 5.018 18.538 0.000) 19.205 19.118 ( -4.836 14.501 0.000) 15.286 20.743 ( 0.026 0.414 0.000) 0.415 20.757 ( -0.269 0.628 0.000) 0.683 20.896 ( 1.439 -0.220 0.000) 1.456 20.967 ( -0.794 -0.920 0.000) 1.215 21.909 ( 1.792 8.331 0.000) 8.521 22.280 ( -6.092 2.993 0.000) 6.787 22.502 ( -2.578 -3.817 0.000) 4.606 22.606 ( -5.303 -1.814 0.000) 5.605 23.470 ( 14.445 3.162 0.000) 14.787 24.094 ( -2.821 -5.372 0.000) 6.067 25.314 ( 7.312 -2.275 0.000) 7.658 25.648 ( -4.660 -3.059 0.000) 5.574 27.754 ( 3.232 1.905 0.000) 3.752 28.085 ( -6.338 -1.671 0.000) 6.555 ======================= Grid point 10 (8/80) ======================= q-point: ( 0.43 0.17 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 105 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.311 ( 9.019 0.111 0.000) 9.019 1.422 ( -1.647 4.232 0.000) 4.542 1.681 ( 28.508 -13.577 0.000) 31.576 1.915 ( 6.545 -2.275 0.000) 6.930 2.049 ( -6.228 1.847 0.000) 6.496 2.146 ( -20.240 -11.417 0.000) 23.238 2.527 ( 12.189 9.957 0.000) 15.739 2.700 ( -6.709 4.001 0.000) 7.812 3.039 ( 5.026 -2.390 0.000) 5.566 3.151 ( -6.135 -0.468 0.000) 6.153 3.841 ( 4.598 -4.303 0.000) 6.298 3.907 ( -2.747 -6.195 0.000) 6.777 4.011 ( 8.144 -4.232 0.000) 9.178 4.160 ( -7.457 -5.988 0.000) 9.564 4.667 ( 5.878 3.669 0.000) 6.929 4.808 ( -9.320 2.509 0.000) 9.652 5.086 ( 4.922 13.631 0.000) 14.493 5.134 ( -0.699 17.620 0.000) 17.633 5.813 ( 13.146 -1.966 0.000) 13.292 5.947 ( -2.247 2.504 0.000) 3.365 6.532 ( 17.634 -5.404 0.000) 18.443 6.801 ( -10.368 -9.203 0.000) 13.864 6.815 ( 4.085 1.778 0.000) 4.455 6.967 ( -11.841 1.082 0.000) 11.891 7.445 ( -0.790 1.393 0.000) 1.601 7.626 ( -17.810 7.572 0.000) 19.352 7.627 ( 9.368 6.375 0.000) 11.331 7.831 ( -11.910 2.451 0.000) 12.160 8.648 ( 7.213 6.880 0.000) 9.969 8.732 ( 16.745 -8.470 0.000) 18.765 8.788 ( -7.229 6.472 0.000) 9.702 9.006 ( -11.111 -5.969 0.000) 12.613 9.305 ( 8.599 7.853 0.000) 11.645 9.502 ( -10.714 12.088 0.000) 16.153 9.899 ( 3.556 1.500 0.000) 3.859 10.008 ( -7.438 5.841 0.000) 9.457 10.592 ( 7.204 -19.967 0.000) 21.227 10.682 ( -2.743 -18.528 0.000) 18.730 10.950 ( 3.813 0.697 0.000) 3.876 11.028 ( -4.445 -0.151 0.000) 4.448 11.208 ( 4.078 -9.912 0.000) 10.718 11.325 ( -5.470 -0.849 0.000) 5.536 11.621 ( 12.912 -18.089 0.000) 22.225 11.843 ( -10.483 -18.376 0.000) 21.156 11.847 ( 5.960 3.047 0.000) 6.694 11.936 ( -1.623 0.287 0.000) 1.648 12.546 ( 6.633 13.105 0.000) 14.688 12.677 ( -7.656 12.558 0.000) 14.708 12.868 ( 11.546 5.234 0.000) 12.677 13.159 ( -16.710 -4.360 0.000) 17.269 13.201 ( 12.387 -0.952 0.000) 12.423 13.408 ( -8.767 -4.552 0.000) 9.879 13.657 ( 17.537 -0.941 0.000) 17.563 13.963 ( -12.255 3.556 0.000) 12.761 14.199 ( 8.612 1.406 0.000) 8.726 14.308 ( -2.815 7.156 0.000) 7.690 14.363 ( -8.005 -0.873 0.000) 8.053 14.382 ( -8.699 1.249 0.000) 8.789 14.705 ( 1.465 -0.952 0.000) 1.748 14.728 ( -1.077 -1.032 0.000) 1.492 15.281 ( 10.131 17.561 0.000) 20.274 15.481 ( -10.797 15.402 0.000) 18.809 16.422 ( 8.714 -1.236 0.000) 8.802 16.497 ( 4.266 -1.133 0.000) 4.414 16.534 ( 5.541 -11.680 0.000) 12.928 16.677 ( -5.731 -10.215 0.000) 11.713 16.728 ( 3.534 1.953 0.000) 4.038 16.806 ( -4.388 1.880 0.000) 4.774 17.557 ( 2.461 -0.515 0.000) 2.515 17.607 ( -2.715 -0.826 0.000) 2.838 17.765 ( 6.114 -10.221 0.000) 11.910 17.924 ( -10.328 -10.202 0.000) 14.517 18.229 ( 2.758 -1.895 0.000) 3.346 18.290 ( -3.659 -2.422 0.000) 4.388 18.830 ( 8.587 18.056 0.000) 19.994 18.995 ( -8.285 15.866 0.000) 17.899 20.745 ( 0.237 0.606 0.000) 0.651 20.751 ( -0.337 0.699 0.000) 0.777 20.924 ( 1.475 -0.603 0.000) 1.594 20.949 ( -1.197 -0.825 0.000) 1.454 21.997 ( 6.893 4.793 0.000) 8.395 22.142 ( -8.191 3.141 0.000) 8.772 22.484 ( 0.675 -3.258 0.000) 3.327 22.523 ( -3.416 -2.344 0.000) 4.143 23.734 ( 13.544 4.528 0.000) 14.281 23.960 ( -10.338 3.118 0.000) 10.798 25.444 ( 6.391 -3.691 0.000) 7.381 25.553 ( -5.432 -3.398 0.000) 6.407 27.844 ( 5.944 -0.960 0.000) 6.021 27.963 ( -6.641 -1.939 0.000) 6.918 ======================= Grid point 14 (9/80) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.222 ( 0.000 9.969 0.000) 9.969 1.318 ( 0.000 25.162 0.000) 25.162 1.455 ( 0.000 31.415 0.000) 31.415 1.795 ( 0.000 41.083 0.000) 41.083 1.805 ( 0.000 -12.008 0.000) 12.008 1.987 ( 0.000 -5.894 0.000) 5.894 2.469 ( 0.000 -16.937 0.000) 16.937 3.066 ( 0.000 -14.922 0.000) 14.922 3.071 ( 0.000 2.993 0.000) 2.993 3.326 ( 0.000 11.491 0.000) 11.491 3.352 ( 0.000 -15.091 0.000) 15.091 3.744 ( 0.000 -9.360 0.000) 9.360 3.746 ( 0.000 2.828 0.000) 2.828 4.145 ( 0.000 -13.575 0.000) 13.575 4.688 ( 0.000 9.587 0.000) 9.587 4.761 ( 0.000 2.679 0.000) 2.679 4.827 ( 0.000 0.630 0.000) 0.630 5.240 ( 0.000 -16.456 0.000) 16.456 5.694 ( 0.000 15.306 0.000) 15.306 5.982 ( 0.000 20.678 0.000) 20.678 6.103 ( 0.000 16.722 0.000) 16.722 6.444 ( 0.000 -19.304 0.000) 19.304 7.142 ( 0.000 -7.658 0.000) 7.658 7.180 ( 0.000 -19.624 0.000) 19.624 7.760 ( 0.000 13.235 0.000) 13.235 7.947 ( 0.000 -0.219 0.000) 0.219 8.117 ( 0.000 -3.894 0.000) 3.894 8.204 ( 0.000 -8.069 0.000) 8.069 8.219 ( 0.000 11.650 0.000) 11.650 8.717 ( 0.000 -6.731 0.000) 6.731 8.819 ( 0.000 21.926 0.000) 21.926 9.132 ( 0.000 9.189 0.000) 9.189 9.668 ( 0.000 -4.812 0.000) 4.812 9.927 ( 0.000 -7.539 0.000) 7.539 9.938 ( 0.000 -18.322 0.000) 18.322 10.051 ( 0.000 -13.973 0.000) 13.973 10.140 ( 0.000 8.574 0.000) 8.574 10.330 ( 0.000 -5.224 0.000) 5.224 10.948 ( 0.000 1.878 0.000) 1.878 10.990 ( 0.000 -1.841 0.000) 1.841 11.159 ( 0.000 11.464 0.000) 11.464 11.291 ( 0.000 3.786 0.000) 3.786 11.394 ( 0.000 11.150 0.000) 11.150 11.461 ( 0.000 4.618 0.000) 4.618 11.703 ( 0.000 1.671 0.000) 1.671 11.864 ( 0.000 -9.496 0.000) 9.496 12.348 ( 0.000 5.055 0.000) 5.055 12.798 ( 0.000 -12.560 0.000) 12.560 12.878 ( 0.000 1.622 0.000) 1.622 12.991 ( 0.000 0.795 0.000) 0.795 13.149 ( 0.000 -2.165 0.000) 2.165 13.331 ( 0.000 -20.244 0.000) 20.244 13.486 ( 0.000 24.472 0.000) 24.472 14.220 ( 0.000 -12.175 0.000) 12.175 14.398 ( 0.000 9.304 0.000) 9.304 14.544 ( 0.000 -0.896 0.000) 0.896 14.609 ( 0.000 -1.434 0.000) 1.434 14.613 ( 0.000 3.214 0.000) 3.214 14.745 ( 0.000 -1.410 0.000) 1.410 15.174 ( 0.000 -19.724 0.000) 19.724 15.312 ( 0.000 26.721 0.000) 26.721 15.635 ( 0.000 16.499 0.000) 16.499 15.985 ( 0.000 9.111 0.000) 9.111 16.117 ( 0.000 -7.873 0.000) 7.873 16.225 ( 0.000 -10.733 0.000) 10.733 16.484 ( 0.000 -11.425 0.000) 11.425 16.686 ( 0.000 -0.556 0.000) 0.556 16.775 ( 0.000 -5.453 0.000) 5.453 17.610 ( 0.000 4.104 0.000) 4.104 17.692 ( 0.000 -0.303 0.000) 0.303 18.134 ( 0.000 1.759 0.000) 1.759 18.305 ( 0.000 3.298 0.000) 3.298 18.333 ( 0.000 -5.566 0.000) 5.566 18.435 ( 0.000 -0.840 0.000) 0.840 18.889 ( 0.000 13.029 0.000) 13.029 19.283 ( 0.000 -5.733 0.000) 5.733 20.751 ( 0.000 0.307 0.000) 0.307 20.762 ( 0.000 -0.065 0.000) 0.065 20.883 ( 0.000 1.367 0.000) 1.367 20.955 ( 0.000 -1.662 0.000) 1.662 22.364 ( 0.000 4.063 0.000) 4.063 22.505 ( 0.000 -0.481 0.000) 0.481 22.548 ( 0.000 -3.622 0.000) 3.622 22.628 ( 0.000 -5.922 0.000) 5.922 23.205 ( 0.000 4.330 0.000) 4.330 23.325 ( 0.000 -1.648 0.000) 1.648 25.284 ( 0.000 7.068 0.000) 7.068 25.607 ( 0.000 -7.390 0.000) 7.390 27.917 ( 0.000 5.734 0.000) 5.734 28.184 ( 0.000 -6.181 0.000) 6.181 ======================= Grid point 15 (10/80) ======================= q-point: ( 0.14 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -0.338 11.613 0.000) 11.618 1.259 ( -8.505 35.808 0.000) 36.804 1.459 ( 11.058 20.141 0.000) 22.977 1.731 ( -5.829 -11.657 0.000) 13.033 2.049 ( 4.390 -5.860 0.000) 7.322 2.117 ( 21.973 28.228 0.000) 35.772 2.416 ( -5.377 -17.942 0.000) 18.730 2.959 ( -6.150 -6.129 0.000) 8.682 3.081 ( -9.986 0.750 0.000) 10.014 3.173 ( 2.056 -3.562 0.000) 4.113 3.557 ( 9.164 -2.409 0.000) 9.475 3.767 ( 2.212 2.029 0.000) 3.001 3.769 ( 2.238 -8.197 0.000) 8.497 4.128 ( -1.772 -12.855 0.000) 12.976 4.694 ( 0.647 9.174 0.000) 9.197 4.894 ( 13.412 0.766 0.000) 13.434 4.919 ( 10.146 -0.539 0.000) 10.160 5.150 ( -7.694 -9.490 0.000) 12.217 5.845 ( 13.802 8.656 0.000) 16.292 5.858 ( -9.610 21.398 0.000) 23.457 6.132 ( 0.954 14.935 0.000) 14.966 6.491 ( 4.572 -18.476 0.000) 19.033 6.936 ( -11.001 -7.928 0.000) 13.560 7.289 ( 0.285 -13.308 0.000) 13.311 7.750 ( -0.931 12.608 0.000) 12.643 7.818 ( -10.540 -2.052 0.000) 10.738 7.973 ( -4.824 -1.542 0.000) 5.065 8.157 ( -4.941 -6.667 0.000) 8.298 8.446 ( 11.676 11.441 0.000) 16.347 8.794 ( -2.077 18.747 0.000) 18.862 8.878 ( 14.423 -1.495 0.000) 14.500 9.121 ( -1.933 7.724 0.000) 7.962 9.566 ( -17.701 -4.454 0.000) 18.253 9.845 ( 2.618 -15.654 0.000) 15.871 9.856 ( -2.934 -4.441 0.000) 5.323 10.033 ( -7.999 6.866 0.000) 10.542 10.152 ( 6.206 -10.173 0.000) 11.917 10.361 ( -1.532 -14.452 0.000) 14.533 10.940 ( -0.729 1.834 0.000) 1.974 11.018 ( 3.024 -3.349 0.000) 4.512 11.146 ( -0.851 8.486 0.000) 8.529 11.304 ( -8.139 8.139 0.000) 11.510 11.401 ( -0.786 2.315 0.000) 2.445 11.520 ( 15.373 4.038 0.000) 15.894 11.747 ( 3.301 0.034 0.000) 3.301 11.817 ( -5.620 -12.884 0.000) 14.057 12.435 ( 8.916 7.432 0.000) 11.608 12.855 ( 5.454 -8.309 0.000) 9.939 12.925 ( 5.291 -0.207 0.000) 5.295 12.995 ( 0.079 2.907 0.000) 2.908 13.175 ( 3.045 -5.546 0.000) 6.327 13.226 ( -9.893 -7.585 0.000) 12.467 13.487 ( -0.629 13.034 0.000) 13.049 14.216 ( -0.831 -8.392 0.000) 8.433 14.349 ( -4.599 9.157 0.000) 10.247 14.521 ( -2.340 -1.025 0.000) 2.555 14.571 ( -3.497 -1.937 0.000) 3.997 14.637 ( 1.876 1.910 0.000) 2.677 14.738 ( -0.727 -1.599 0.000) 1.756 14.963 ( -13.581 -1.644 0.000) 13.681 15.416 ( 4.983 18.882 0.000) 19.529 15.781 ( 10.985 4.009 0.000) 11.693 15.995 ( 2.220 12.756 0.000) 12.948 16.136 ( 2.188 -7.486 0.000) 7.800 16.248 ( 3.014 -10.538 0.000) 10.960 16.511 ( 2.531 -10.750 0.000) 11.044 16.685 ( 0.452 0.491 0.000) 0.667 16.804 ( 2.494 -4.786 0.000) 5.397 17.592 ( -1.732 3.677 0.000) 4.065 17.677 ( -1.541 -0.595 0.000) 1.652 18.034 ( -15.975 4.671 0.000) 16.644 18.181 ( -4.044 1.192 0.000) 4.216 18.270 ( -13.251 -2.739 0.000) 13.531 18.322 ( -1.474 -4.952 0.000) 5.166 18.965 ( 5.623 14.155 0.000) 15.231 19.312 ( 1.728 -1.330 0.000) 2.181 20.751 ( 0.080 0.450 0.000) 0.457 20.765 ( 0.247 0.035 0.000) 0.250 20.886 ( 0.314 1.074 0.000) 1.119 20.951 ( -0.347 -1.625 0.000) 1.662 22.201 ( -10.430 7.413 0.000) 12.796 22.455 ( -4.585 0.250 0.000) 4.591 22.479 ( -4.565 -1.488 0.000) 4.801 22.635 ( -2.395 -3.851 0.000) 4.535 23.298 ( 11.748 5.564 0.000) 12.999 23.628 ( 21.492 -11.582 0.000) 24.414 25.293 ( 0.995 6.479 0.000) 6.555 25.600 ( -1.196 -7.053 0.000) 7.154 27.871 ( -3.883 6.169 0.000) 7.289 28.130 ( -5.080 -5.323 0.000) 7.358 ======================= Grid point 16 (11/80) ======================= q-point: ( 0.29 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.228 ( 4.379 7.116 0.000) 8.356 1.277 ( 10.310 22.122 0.000) 24.406 1.579 ( -4.446 2.776 0.000) 5.241 1.720 ( 10.392 2.294 0.000) 10.642 2.103 ( 0.835 -3.859 0.000) 3.949 2.252 ( -11.734 -13.671 0.000) 18.016 2.459 ( 12.176 9.559 0.000) 15.480 2.831 ( -7.730 -3.974 0.000) 8.691 2.957 ( -0.626 2.818 0.000) 2.887 3.198 ( -0.653 -3.317 0.000) 3.381 3.683 ( 4.778 -1.938 0.000) 5.157 3.805 ( 1.127 -5.304 0.000) 5.423 3.828 ( 4.214 -0.331 0.000) 4.227 4.081 ( -3.245 -10.795 0.000) 11.272 4.716 ( 1.867 7.929 0.000) 8.145 5.000 ( -7.899 -2.704 0.000) 8.349 5.114 ( 12.825 4.581 0.000) 13.619 5.271 ( 21.188 -3.673 0.000) 21.504 5.710 ( -4.565 20.214 0.000) 20.723 6.121 ( -2.405 9.079 0.000) 9.392 6.140 ( 16.746 2.293 0.000) 16.903 6.582 ( 3.928 -15.655 0.000) 16.141 6.795 ( -3.200 -1.945 0.000) 3.745 7.187 ( -9.085 -4.710 0.000) 10.234 7.613 ( -9.688 3.485 0.000) 10.296 7.736 ( -0.121 10.506 0.000) 10.507 7.949 ( -2.260 -6.667 0.000) 7.039 8.031 ( -8.159 -3.151 0.000) 8.746 8.536 ( -0.424 12.716 0.000) 12.723 8.769 ( -0.054 12.779 0.000) 12.779 9.041 ( -6.456 3.984 0.000) 7.586 9.181 ( -18.093 -8.949 0.000) 20.185 9.191 ( 16.618 9.563 0.000) 19.173 9.854 ( -8.047 -2.921 0.000) 8.560 9.872 ( 4.504 3.884 0.000) 5.948 10.030 ( 10.546 -12.333 0.000) 16.228 10.216 ( -0.010 -1.635 0.000) 1.635 10.311 ( -1.131 -17.580 0.000) 17.617 10.930 ( 0.052 0.975 0.000) 0.976 11.029 ( -9.501 0.792 0.000) 9.534 11.105 ( 6.386 -7.585 0.000) 9.915 11.147 ( -7.686 2.081 0.000) 7.963 11.398 ( -3.142 -1.359 0.000) 3.423 11.662 ( -10.400 -17.278 0.000) 20.167 11.803 ( 8.795 1.309 0.000) 8.892 11.830 ( 10.653 1.057 0.000) 10.706 12.636 ( 11.212 10.924 0.000) 15.654 12.957 ( 1.436 2.497 0.000) 2.880 13.005 ( 4.850 1.564 0.000) 5.096 13.028 ( -8.263 -1.403 0.000) 8.382 13.049 ( 4.016 -5.932 0.000) 7.164 13.254 ( 4.293 -10.172 0.000) 11.041 13.475 ( 1.901 10.418 0.000) 10.590 14.168 ( -5.543 -4.887 0.000) 7.390 14.259 ( -4.048 7.369 0.000) 8.408 14.452 ( -5.165 -2.069 0.000) 5.563 14.498 ( -3.376 3.470 0.000) 4.842 14.668 ( 1.280 0.331 0.000) 1.322 14.720 ( -1.066 -1.681 0.000) 1.991 14.751 ( -8.755 6.977 0.000) 11.195 15.510 ( 5.663 18.881 0.000) 19.712 15.851 ( -2.638 4.775 0.000) 5.455 16.119 ( 8.082 0.513 0.000) 8.098 16.211 ( 5.848 -8.600 0.000) 10.400 16.349 ( 7.494 -6.042 0.000) 9.626 16.557 ( 1.872 -7.028 0.000) 7.273 16.715 ( 2.809 2.429 0.000) 3.713 16.844 ( 1.281 -2.505 0.000) 2.813 17.558 ( -1.527 2.171 0.000) 2.654 17.637 ( -2.730 -1.199 0.000) 2.982 17.724 ( -12.981 2.485 0.000) 13.217 17.976 ( -15.425 -7.764 0.000) 17.269 18.179 ( 0.390 0.553 0.000) 0.677 18.284 ( -2.391 -3.941 0.000) 4.609 19.061 ( 4.841 14.822 0.000) 15.592 19.314 ( -1.724 3.798 0.000) 4.171 20.755 ( 0.288 0.700 0.000) 0.757 20.769 ( 0.060 0.371 0.000) 0.376 20.895 ( 0.677 0.312 0.000) 0.746 20.942 ( -0.662 -1.482 0.000) 1.623 22.089 ( -1.656 8.491 0.000) 8.651 22.365 ( -6.792 4.963 0.000) 8.412 22.394 ( -2.100 -6.360 0.000) 6.698 22.553 ( -5.553 -3.378 0.000) 6.500 23.574 ( 16.264 7.058 0.000) 17.729 23.942 ( 10.739 -9.026 0.000) 14.028 25.321 ( 2.042 3.059 0.000) 3.678 25.552 ( -3.976 -5.988 0.000) 7.188 27.818 ( -1.152 4.194 0.000) 4.350 28.021 ( -6.215 -4.462 0.000) 7.651 ======================= Grid point 17 (12/80) ======================= q-point: ( 0.43 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 110 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.334 ( 6.591 2.206 0.000) 6.950 1.462 ( -6.904 -1.198 0.000) 7.007 1.579 ( 19.990 4.087 0.000) 20.403 1.926 ( 9.975 3.688 0.000) 10.635 1.957 ( -19.230 -7.934 0.000) 20.802 2.067 ( -4.843 -0.413 0.000) 4.861 2.603 ( 5.091 -0.781 0.000) 5.151 2.701 ( -5.984 -3.516 0.000) 6.941 3.032 ( 6.555 2.569 0.000) 7.040 3.145 ( -4.837 -0.667 0.000) 4.883 3.752 ( 3.044 -3.437 0.000) 4.591 3.799 ( -1.743 -4.400 0.000) 4.732 3.917 ( 5.120 -3.862 0.000) 6.413 4.009 ( -4.531 -7.644 0.000) 8.886 4.769 ( 3.975 5.695 0.000) 6.945 4.866 ( -6.358 2.182 0.000) 6.722 5.352 ( 11.192 10.747 0.000) 15.516 5.479 ( -1.090 11.181 0.000) 11.234 5.796 ( 13.246 3.220 0.000) 13.632 6.020 ( -9.045 2.562 0.000) 9.401 6.427 ( 13.024 -3.487 0.000) 13.483 6.590 ( -3.941 -10.148 0.000) 10.887 6.838 ( 7.256 2.262 0.000) 7.600 7.006 ( -9.776 0.473 0.000) 9.788 7.541 ( 4.139 8.088 0.000) 9.086 7.761 ( -15.859 3.774 0.000) 16.302 7.766 ( 3.742 6.382 0.000) 7.398 7.876 ( -7.745 1.325 0.000) 7.858 8.604 ( 9.694 -2.190 0.000) 9.938 8.804 ( 3.882 7.258 0.000) 8.231 8.855 ( -15.945 -8.113 0.000) 17.890 8.908 ( -6.971 3.730 0.000) 7.906 9.499 ( 13.855 8.367 0.000) 16.185 9.700 ( -8.655 2.692 0.000) 9.064 9.999 ( 8.283 8.358 0.000) 11.768 10.148 ( -6.766 6.659 0.000) 9.493 10.190 ( 7.370 -13.754 0.000) 15.604 10.312 ( -3.095 -12.064 0.000) 12.455 10.955 ( 2.694 -0.560 0.000) 2.752 10.965 ( 6.617 -10.252 0.000) 12.202 11.028 ( -5.091 -0.134 0.000) 5.093 11.211 ( -15.100 -10.753 0.000) 18.538 11.257 ( 9.621 -14.700 0.000) 17.568 11.455 ( -11.327 -18.030 0.000) 21.293 11.942 ( 6.741 5.226 0.000) 8.529 11.990 ( 2.989 2.974 0.000) 4.216 12.813 ( 7.380 12.359 0.000) 14.394 12.916 ( -3.968 10.448 0.000) 11.176 12.939 ( 0.465 0.620 0.000) 0.775 13.021 ( -6.099 -6.580 0.000) 8.972 13.159 ( 8.914 -3.564 0.000) 9.601 13.279 ( -2.716 -7.821 0.000) 8.279 13.654 ( 15.823 4.454 0.000) 16.438 13.965 ( -15.566 -4.307 0.000) 16.151 14.238 ( 2.429 2.328 0.000) 3.364 14.335 ( -6.834 -1.881 0.000) 7.088 14.506 ( 4.203 13.155 0.000) 13.810 14.615 ( -6.667 12.080 0.000) 13.798 14.687 ( 0.845 -0.631 0.000) 1.055 14.702 ( -0.875 -1.258 0.000) 1.532 15.629 ( 6.990 15.704 0.000) 17.189 15.758 ( -6.481 11.169 0.000) 12.913 16.241 ( 5.173 -13.912 0.000) 14.843 16.287 ( 0.926 -14.311 0.000) 14.341 16.490 ( 6.393 1.359 0.000) 6.536 16.564 ( -1.530 0.148 0.000) 1.537 16.781 ( 3.831 2.943 0.000) 4.831 16.839 ( -1.916 0.908 0.000) 2.120 17.549 ( 0.768 -0.075 0.000) 0.772 17.584 ( -2.677 -1.338 0.000) 2.992 17.603 ( 0.237 -5.071 0.000) 5.076 17.718 ( -11.160 -9.049 0.000) 14.368 18.200 ( 1.657 -0.848 0.000) 1.862 18.238 ( -2.409 -2.439 0.000) 3.429 19.155 ( 5.291 12.194 0.000) 13.293 19.251 ( -4.687 7.934 0.000) 9.215 20.761 ( 0.370 0.836 0.000) 0.914 20.767 ( -0.235 0.724 0.000) 0.762 20.910 ( 0.910 -0.536 0.000) 1.056 20.927 ( -0.884 -1.148 0.000) 1.448 22.119 ( 4.348 6.749 0.000) 8.029 22.231 ( -7.095 5.172 0.000) 8.780 22.392 ( 1.747 -5.486 0.000) 5.758 22.453 ( -4.646 -4.374 0.000) 6.380 23.856 ( 12.849 6.781 0.000) 14.528 24.012 ( -2.972 1.031 0.000) 3.146 25.375 ( 3.926 -2.124 0.000) 4.464 25.463 ( -5.165 -4.894 0.000) 7.116 27.834 ( 2.779 0.268 0.000) 2.792 27.911 ( -5.248 -2.855 0.000) 5.974 ======================= Grid point 21 (13/80) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.470 ( 0.000 -12.420 0.000) 12.420 1.470 ( 0.000 12.420 0.000) 12.420 1.789 ( 0.000 -13.219 0.000) 13.219 1.789 ( 0.000 13.219 0.000) 13.219 2.028 ( 0.000 -24.164 0.000) 24.164 2.028 ( 0.000 24.164 0.000) 24.164 2.577 ( 0.000 -32.145 0.000) 32.145 2.577 ( 0.000 32.145 0.000) 32.145 3.139 ( 0.000 -5.230 0.000) 5.230 3.139 ( 0.000 5.230 0.000) 5.230 3.553 ( 0.000 -10.140 0.000) 10.140 3.553 ( 0.000 10.140 0.000) 10.140 3.884 ( 0.000 -10.611 0.000) 10.611 3.884 ( 0.000 10.611 0.000) 10.611 4.810 ( 0.000 -1.884 0.000) 1.884 4.810 ( 0.000 1.884 0.000) 1.884 4.928 ( 0.000 -13.746 0.000) 13.746 4.928 ( 0.000 13.746 0.000) 13.746 6.049 ( 0.000 -18.900 0.000) 18.900 6.049 ( 0.000 18.900 0.000) 18.900 6.307 ( 0.000 -4.663 0.000) 4.663 6.307 ( 0.000 4.663 0.000) 4.663 6.946 ( 0.000 -2.979 0.000) 2.979 6.946 ( 0.000 2.979 0.000) 2.979 8.009 ( 0.000 -10.983 0.000) 10.983 8.009 ( 0.000 10.983 0.000) 10.983 8.014 ( 0.000 -5.412 0.000) 5.412 8.014 ( 0.000 5.412 0.000) 5.412 8.511 ( 0.000 -14.110 0.000) 14.110 8.511 ( 0.000 14.110 0.000) 14.110 9.178 ( 0.000 -8.779 0.000) 8.779 9.178 ( 0.000 8.779 0.000) 8.779 9.659 ( 0.000 -5.980 0.000) 5.980 9.659 ( 0.000 5.980 0.000) 5.980 9.838 ( 0.000 -2.482 0.000) 2.482 9.838 ( 0.000 2.482 0.000) 2.482 10.249 ( 0.000 -3.430 0.000) 3.430 10.249 ( 0.000 3.430 0.000) 3.430 10.968 ( 0.000 -0.616 0.000) 0.616 10.968 ( 0.000 0.616 0.000) 0.616 11.325 ( 0.000 -1.915 0.000) 1.915 11.325 ( 0.000 1.915 0.000) 1.915 11.618 ( 0.000 -9.101 0.000) 9.101 11.618 ( 0.000 9.101 0.000) 9.101 11.643 ( 0.000 -12.110 0.000) 12.110 11.643 ( 0.000 12.110 0.000) 12.110 12.514 ( 0.000 -11.568 0.000) 11.568 12.514 ( 0.000 11.568 0.000) 11.568 12.982 ( 0.000 -11.466 0.000) 11.466 12.982 ( 0.000 11.466 0.000) 11.466 13.081 ( 0.000 -4.502 0.000) 4.502 13.081 ( 0.000 4.502 0.000) 4.502 13.964 ( 0.000 -16.979 0.000) 16.979 13.964 ( 0.000 16.979 0.000) 16.979 14.511 ( 0.000 -2.768 0.000) 2.768 14.511 ( 0.000 2.768 0.000) 2.768 14.693 ( 0.000 -3.736 0.000) 3.736 14.693 ( 0.000 3.736 0.000) 3.736 14.741 ( 0.000 -16.607 0.000) 16.607 14.741 ( 0.000 16.607 0.000) 16.607 15.810 ( 0.000 -20.603 0.000) 20.603 15.810 ( 0.000 20.603 0.000) 20.603 15.958 ( 0.000 -14.693 0.000) 14.693 15.958 ( 0.000 14.693 0.000) 14.693 16.234 ( 0.000 -12.557 0.000) 12.557 16.234 ( 0.000 12.557 0.000) 12.557 16.698 ( 0.000 -2.010 0.000) 2.010 16.698 ( 0.000 2.010 0.000) 2.010 17.671 ( 0.000 -1.898 0.000) 1.898 17.671 ( 0.000 1.898 0.000) 1.898 18.216 ( 0.000 -5.489 0.000) 5.489 18.216 ( 0.000 5.489 0.000) 5.489 18.384 ( 0.000 -3.802 0.000) 3.802 18.384 ( 0.000 3.802 0.000) 3.802 19.125 ( 0.000 -9.768 0.000) 9.768 19.125 ( 0.000 9.768 0.000) 9.768 20.758 ( 0.000 -0.337 0.000) 0.337 20.758 ( 0.000 0.337 0.000) 0.337 20.917 ( 0.000 -1.877 0.000) 1.877 20.917 ( 0.000 1.877 0.000) 1.877 22.455 ( 0.000 -4.514 0.000) 4.514 22.455 ( 0.000 4.514 0.000) 4.514 22.535 ( 0.000 -2.858 0.000) 2.858 22.535 ( 0.000 2.858 0.000) 2.858 23.279 ( 0.000 -2.901 0.000) 2.901 23.279 ( 0.000 2.901 0.000) 2.901 25.444 ( 0.000 -8.275 0.000) 8.275 25.444 ( 0.000 8.275 0.000) 8.275 28.048 ( 0.000 -6.827 0.000) 6.827 28.048 ( 0.000 6.827 0.000) 6.827 ======================= Grid point 23 (14/80) ======================= q-point: ( 0.14 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.443 ( -2.149 -13.417 0.000) 13.588 1.443 ( -2.149 13.417 0.000) 13.588 1.847 ( 5.328 -14.135 0.000) 15.105 1.847 ( 5.328 14.135 0.000) 15.105 1.932 ( -7.679 -28.766 0.000) 29.773 1.932 ( -7.679 28.766 0.000) 29.773 2.654 ( 4.941 -22.577 0.000) 23.111 2.654 ( 4.941 22.577 0.000) 23.111 3.097 ( -2.924 -2.510 0.000) 3.853 3.097 ( -2.924 2.510 0.000) 3.853 3.622 ( 5.756 -6.629 0.000) 8.780 3.622 ( 5.756 6.629 0.000) 8.780 3.886 ( 0.175 -9.607 0.000) 9.609 3.886 ( 0.175 9.607 0.000) 9.609 4.906 ( 10.458 -0.807 0.000) 10.489 4.906 ( 10.458 0.807 0.000) 10.489 4.914 ( -1.316 -12.001 0.000) 12.073 4.914 ( -1.316 12.001 0.000) 12.073 6.122 ( 7.394 -16.902 0.000) 18.449 6.122 ( 7.394 16.902 0.000) 18.449 6.223 ( -7.648 -10.807 0.000) 13.239 6.223 ( -7.648 10.807 0.000) 13.239 6.958 ( 0.518 -14.314 0.000) 14.323 6.958 ( 0.518 14.314 0.000) 14.323 7.888 ( -8.379 -5.887 0.000) 10.240 7.888 ( -8.379 5.887 0.000) 10.240 7.984 ( -2.566 -10.118 0.000) 10.439 7.984 ( -2.566 10.118 0.000) 10.439 8.729 ( 16.211 -13.599 0.000) 21.160 8.729 ( 16.211 13.599 0.000) 21.160 9.114 ( -5.969 -9.882 0.000) 11.545 9.114 ( -5.969 9.882 0.000) 11.545 9.572 ( -7.837 -7.796 0.000) 11.054 9.572 ( -7.837 7.796 0.000) 11.054 9.910 ( 6.843 -10.146 0.000) 12.238 9.910 ( 6.843 10.146 0.000) 12.238 10.155 ( -7.934 -6.730 0.000) 10.404 10.155 ( -7.934 6.730 0.000) 10.404 10.970 ( 0.183 -1.780 0.000) 1.789 10.970 ( 0.183 1.780 0.000) 1.789 11.359 ( -0.018 -7.379 0.000) 7.379 11.359 ( -0.018 7.379 0.000) 7.379 11.539 ( -9.789 -13.603 0.000) 16.759 11.539 ( -9.789 13.603 0.000) 16.759 11.650 ( 5.177 -7.792 0.000) 9.355 11.650 ( 5.177 7.792 0.000) 9.355 12.626 ( 10.637 -11.098 0.000) 15.372 12.626 ( 10.637 11.098 0.000) 15.372 12.980 ( -0.309 -8.392 0.000) 8.398 12.980 ( -0.309 8.392 0.000) 8.398 13.087 ( 0.593 -4.391 0.000) 4.431 13.087 ( 0.593 4.391 0.000) 4.431 13.931 ( -3.193 -20.198 0.000) 20.449 13.931 ( -3.193 20.198 0.000) 20.449 14.476 ( -3.617 -3.708 0.000) 5.180 14.476 ( -3.617 3.708 0.000) 5.180 14.690 ( -0.256 -2.887 0.000) 2.898 14.690 ( -0.256 2.887 0.000) 2.898 14.716 ( -1.879 -14.576 0.000) 14.696 14.716 ( -1.879 14.576 0.000) 14.696 15.833 ( 1.999 -17.917 0.000) 18.028 15.833 ( 1.999 17.917 0.000) 18.028 15.996 ( 3.043 -11.379 0.000) 11.779 15.996 ( 3.043 11.379 0.000) 11.779 16.274 ( 4.731 -12.424 0.000) 13.295 16.274 ( 4.731 12.424 0.000) 13.295 16.721 ( 2.437 -3.064 0.000) 3.915 16.721 ( 2.437 3.064 0.000) 3.915 17.651 ( -2.032 -2.063 0.000) 2.895 17.651 ( -2.032 2.063 0.000) 2.895 18.149 ( -13.323 -5.769 0.000) 14.519 18.149 ( -13.323 5.769 0.000) 14.519 18.246 ( -4.957 -2.177 0.000) 5.414 18.246 ( -4.957 2.177 0.000) 5.414 19.202 ( 5.751 -8.815 0.000) 10.525 19.202 ( 5.751 8.815 0.000) 10.525 20.761 ( 0.302 -0.427 0.000) 0.523 20.761 ( 0.302 0.427 0.000) 0.523 20.916 ( -0.163 -1.739 0.000) 1.747 20.916 ( -0.163 1.739 0.000) 1.747 22.337 ( -7.066 -6.435 0.000) 9.557 22.337 ( -7.066 6.435 0.000) 9.557 22.555 ( -1.933 -4.023 0.000) 4.463 22.555 ( -1.933 4.023 0.000) 4.463 23.436 ( 15.016 -7.853 0.000) 16.946 23.436 ( 15.016 7.853 0.000) 16.946 25.443 ( -0.309 -7.891 0.000) 7.897 25.443 ( -0.309 7.891 0.000) 7.897 28.004 ( -4.243 -6.629 0.000) 7.871 28.004 ( -4.243 6.629 0.000) 7.871 ======================= Grid point 25 (15/80) ======================= q-point: ( 0.29 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -1.156 -10.367 0.000) 10.432 1.410 ( -1.156 10.367 0.000) 10.432 1.812 ( -4.518 -26.386 0.000) 26.770 1.812 ( -4.518 26.386 0.000) 26.770 1.951 ( 5.149 -11.020 0.000) 12.163 1.951 ( 5.149 11.020 0.000) 12.163 2.675 ( -2.545 -9.738 0.000) 10.065 2.675 ( -2.545 9.738 0.000) 10.065 3.080 ( 1.028 -7.315 0.000) 7.387 3.080 ( 1.028 7.315 0.000) 7.387 3.709 ( 2.824 -3.916 0.000) 4.828 3.709 ( 2.824 3.916 0.000) 4.828 3.891 ( 0.339 -6.741 0.000) 6.750 3.891 ( 0.339 6.741 0.000) 6.750 4.886 ( -1.550 -7.872 0.000) 8.023 4.886 ( -1.550 7.872 0.000) 8.023 5.190 ( 18.757 -3.631 0.000) 19.106 5.190 ( 18.757 3.631 0.000) 19.106 6.076 ( -7.220 -13.286 0.000) 15.122 6.076 ( -7.220 13.286 0.000) 15.122 6.291 ( 9.566 -11.817 0.000) 15.204 6.291 ( 9.566 11.817 0.000) 15.204 6.950 ( -1.004 -15.122 0.000) 15.155 6.950 ( -1.004 15.122 0.000) 15.155 7.775 ( -3.998 -9.763 0.000) 10.550 7.775 ( -3.998 9.763 0.000) 10.550 7.922 ( -3.736 -7.416 0.000) 8.304 7.922 ( -3.736 7.416 0.000) 8.304 8.864 ( -5.692 -17.888 0.000) 18.772 8.864 ( -5.692 17.888 0.000) 18.772 8.995 ( -5.961 -7.953 0.000) 9.939 8.995 ( -5.961 7.953 0.000) 9.939 9.515 ( 4.916 -19.269 0.000) 19.886 9.515 ( 4.916 19.269 0.000) 19.886 10.051 ( -0.772 -7.835 0.000) 7.873 10.051 ( -0.772 7.835 0.000) 7.873 10.056 ( 8.021 -11.796 0.000) 14.265 10.056 ( 8.021 11.796 0.000) 14.265 10.972 ( -0.068 -4.072 0.000) 4.073 10.972 ( -0.068 4.072 0.000) 4.073 11.229 ( -13.081 -13.366 0.000) 18.702 11.229 ( -13.081 13.366 0.000) 18.702 11.335 ( -10.750 -13.613 0.000) 17.345 11.335 ( -10.750 13.613 0.000) 17.345 11.830 ( 11.999 -0.871 0.000) 12.031 11.830 ( 11.999 0.871 0.000) 12.031 12.852 ( 12.266 -9.540 0.000) 15.539 12.852 ( 12.266 9.540 0.000) 15.539 12.966 ( -1.260 -1.560 0.000) 2.005 12.966 ( -1.260 1.560 0.000) 2.005 13.099 ( 0.687 -5.525 0.000) 5.567 13.099 ( 0.687 5.525 0.000) 5.567 13.865 ( -3.388 -20.725 0.000) 21.001 13.865 ( -3.388 20.725 0.000) 21.001 14.384 ( -5.853 -4.756 0.000) 7.542 14.384 ( -5.853 4.756 0.000) 7.542 14.686 ( -0.169 -1.441 0.000) 1.451 14.686 ( -0.169 1.441 0.000) 1.451 14.697 ( 0.036 -10.261 0.000) 10.261 14.697 ( 0.036 10.261 0.000) 10.261 15.876 ( 2.589 -14.716 0.000) 14.942 15.876 ( 2.589 14.716 0.000) 14.942 16.028 ( 0.097 -7.662 0.000) 7.662 16.028 ( 0.097 7.662 0.000) 7.662 16.408 ( 8.755 -7.998 0.000) 11.858 16.408 ( 8.755 7.998 0.000) 11.858 16.779 ( 3.429 -3.513 0.000) 4.909 16.779 ( 3.429 3.513 0.000) 4.909 17.603 ( -2.893 -2.055 0.000) 3.548 17.603 ( -2.893 2.055 0.000) 3.548 17.825 ( -17.113 -6.771 0.000) 18.404 17.825 ( -17.113 6.771 0.000) 18.404 18.213 ( -0.926 -2.725 0.000) 2.878 18.213 ( -0.926 2.725 0.000) 2.878 19.282 ( 2.547 -6.502 0.000) 6.983 19.282 ( 2.547 6.502 0.000) 6.983 20.768 ( 0.389 -0.455 0.000) 0.598 20.768 ( 0.389 0.455 0.000) 0.598 20.912 ( -0.217 -1.288 0.000) 1.306 20.912 ( -0.217 1.288 0.000) 1.306 22.250 ( -2.038 -7.452 0.000) 7.725 22.250 ( -2.038 7.452 0.000) 7.725 22.469 ( -6.316 -4.776 0.000) 7.918 22.469 ( -6.316 4.776 0.000) 7.918 23.747 ( 16.303 -9.477 0.000) 18.858 23.747 ( 16.303 9.477 0.000) 18.858 25.422 ( -2.093 -6.223 0.000) 6.565 25.422 ( -2.093 6.223 0.000) 6.565 27.917 ( -4.374 -5.297 0.000) 6.869 27.917 ( -4.374 5.297 0.000) 6.869 ======================= Grid point 27 (16/80) ======================= q-point: ( 0.43 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 70 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -0.244 -3.836 0.000) 3.844 1.399 ( -0.244 3.836 0.000) 3.844 1.765 ( -0.913 -11.090 0.000) 11.127 1.765 ( -0.913 11.090 0.000) 11.127 2.021 ( 2.027 -4.127 0.000) 4.598 2.021 ( 2.027 4.127 0.000) 4.598 2.614 ( -2.480 -3.124 0.000) 3.988 2.614 ( -2.480 3.124 0.000) 3.988 3.105 ( 0.952 -3.337 0.000) 3.470 3.105 ( 0.952 3.337 0.000) 3.470 3.732 ( 0.202 -1.620 0.000) 1.633 3.732 ( 0.202 1.620 0.000) 1.633 3.897 ( 0.191 -2.439 0.000) 2.446 3.897 ( 0.191 2.439 0.000) 2.446 4.864 ( -0.674 -2.725 0.000) 2.807 4.864 ( -0.674 2.725 0.000) 2.807 5.509 ( 12.073 -4.667 0.000) 12.944 5.509 ( 12.073 4.667 0.000) 12.944 5.964 ( -4.484 -8.273 0.000) 9.410 5.964 ( -4.484 8.273 0.000) 9.410 6.433 ( 4.492 -4.376 0.000) 6.272 6.433 ( 4.492 4.376 0.000) 6.272 6.940 ( -0.018 -6.118 0.000) 6.118 6.940 ( -0.018 6.118 0.000) 6.118 7.722 ( -1.750 -7.274 0.000) 7.482 7.722 ( -1.750 7.274 0.000) 7.482 7.864 ( -1.942 -2.811 0.000) 3.416 7.864 ( -1.942 2.811 0.000) 3.416 8.679 ( -7.942 -8.211 0.000) 11.423 8.679 ( -7.942 8.211 0.000) 11.423 8.914 ( -2.379 -3.000 0.000) 3.829 8.914 ( -2.379 3.000 0.000) 3.829 9.608 ( 2.092 -5.506 0.000) 5.890 9.608 ( 2.092 5.506 0.000) 5.890 10.163 ( 9.289 -6.746 0.000) 11.480 10.163 ( 9.289 6.746 0.000) 11.480 10.177 ( 3.959 -5.686 0.000) 6.929 10.177 ( 3.959 5.686 0.000) 6.929 10.957 ( -12.301 -10.107 0.000) 15.921 10.957 ( -12.301 10.107 0.000) 15.921 10.965 ( -0.542 -3.575 0.000) 3.616 10.965 ( -0.542 3.575 0.000) 3.616 11.183 ( -4.569 -6.916 0.000) 8.289 11.183 ( -4.569 6.916 0.000) 8.289 12.012 ( 5.875 -1.167 0.000) 5.990 12.012 ( 5.875 1.167 0.000) 5.990 12.941 ( -1.024 -1.297 0.000) 1.652 12.941 ( -1.024 1.297 0.000) 1.652 13.034 ( 5.913 -8.449 0.000) 10.312 13.034 ( 5.913 8.449 0.000) 10.312 13.108 ( 0.143 -8.229 0.000) 8.230 13.108 ( 0.143 8.229 0.000) 8.230 13.818 ( -1.386 -9.240 0.000) 9.343 13.818 ( -1.386 9.240 0.000) 9.343 14.289 ( -3.337 -2.518 0.000) 4.180 14.289 ( -3.337 2.518 0.000) 4.180 14.684 ( -0.047 -0.407 0.000) 0.410 14.684 ( -0.047 0.407 0.000) 0.410 14.707 ( 0.593 -3.875 0.000) 3.920 14.707 ( 0.593 3.875 0.000) 3.920 15.923 ( 2.084 -9.227 0.000) 9.459 15.923 ( 2.084 9.227 0.000) 9.459 16.010 ( -1.409 -6.631 0.000) 6.779 16.010 ( -1.409 6.631 0.000) 6.779 16.548 ( 4.817 -2.604 0.000) 5.476 16.548 ( 4.817 2.604 0.000) 5.476 16.832 ( 1.723 -1.634 0.000) 2.375 16.832 ( 1.723 1.634 0.000) 2.375 17.558 ( -1.474 -0.971 0.000) 1.765 17.558 ( -1.474 0.971 0.000) 1.765 17.583 ( -7.493 -3.332 0.000) 8.201 17.583 ( -7.493 3.332 0.000) 8.201 18.201 ( -0.361 -1.030 0.000) 1.091 18.201 ( -0.361 1.030 0.000) 1.091 19.306 ( 0.446 -2.476 0.000) 2.516 19.306 ( 0.446 2.476 0.000) 2.516 20.773 ( 0.179 -0.206 0.000) 0.272 20.773 ( 0.179 0.206 0.000) 0.272 20.909 ( -0.103 -0.489 0.000) 0.499 20.909 ( -0.103 0.489 0.000) 0.499 22.257 ( 2.364 -6.258 0.000) 6.690 22.257 ( 2.364 6.258 0.000) 6.690 22.352 ( -5.478 -5.115 0.000) 7.495 22.352 ( -5.478 5.115 0.000) 7.495 23.978 ( 7.061 -4.365 0.000) 8.301 23.978 ( 7.061 4.365 0.000) 8.301 25.379 ( -1.713 -2.585 0.000) 3.101 25.379 ( -1.713 2.585 0.000) 3.101 27.859 ( -1.663 -2.052 0.000) 2.641 27.859 ( -1.663 2.052 0.000) 2.641 ======================= Grid point 49 (17/80) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.555 ( 0.000 0.000 28.428) 28.428 0.691 ( 0.000 0.000 34.324) 34.324 1.145 ( 0.000 0.000 52.336) 52.336 1.312 ( 0.000 0.000 22.903) 22.903 2.028 ( 0.000 0.000 -5.180) 5.180 2.106 ( 0.000 0.000 3.879) 3.879 2.682 ( 0.000 0.000 -3.024) 3.024 2.814 ( 0.000 0.000 -3.244) 3.244 2.999 ( 0.000 0.000 -6.998) 6.998 3.418 ( 0.000 0.000 -4.689) 4.689 3.531 ( 0.000 0.000 0.012) 0.012 4.127 ( 0.000 0.000 -4.597) 4.597 4.443 ( 0.000 0.000 -3.540) 3.540 4.579 ( 0.000 0.000 -0.059) 0.059 4.601 ( 0.000 0.000 17.998) 17.998 4.657 ( 0.000 0.000 -0.780) 0.780 4.934 ( 0.000 0.000 -3.625) 3.625 5.251 ( 0.000 0.000 17.674) 17.674 5.395 ( 0.000 0.000 -5.342) 5.342 5.571 ( 0.000 0.000 19.254) 19.254 5.996 ( 0.000 0.000 24.194) 24.194 7.013 ( 0.000 0.000 -3.703) 3.703 7.090 ( 0.000 0.000 -2.033) 2.033 7.341 ( 0.000 0.000 7.479) 7.479 7.811 ( 0.000 0.000 2.765) 2.765 8.005 ( 0.000 0.000 9.467) 9.467 8.075 ( 0.000 0.000 -6.915) 6.915 8.101 ( 0.000 0.000 0.335) 0.335 8.349 ( 0.000 0.000 6.619) 6.619 8.541 ( 0.000 0.000 -20.050) 20.050 8.586 ( 0.000 0.000 9.895) 9.895 9.161 ( 0.000 0.000 4.663) 4.663 9.509 ( 0.000 0.000 -0.877) 0.877 9.842 ( 0.000 0.000 -1.297) 1.297 9.854 ( 0.000 0.000 -4.373) 4.373 9.895 ( 0.000 0.000 -16.082) 16.082 10.588 ( 0.000 0.000 21.448) 21.448 10.774 ( 0.000 0.000 -3.092) 3.092 10.868 ( 0.000 0.000 20.294) 20.294 10.942 ( 0.000 0.000 -1.983) 1.983 10.975 ( 0.000 0.000 -12.019) 12.019 11.005 ( 0.000 0.000 -2.992) 2.992 11.496 ( 0.000 0.000 4.117) 4.117 11.551 ( 0.000 0.000 22.254) 22.254 11.607 ( 0.000 0.000 10.252) 10.252 12.159 ( 0.000 0.000 -8.220) 8.220 12.360 ( 0.000 0.000 8.185) 8.185 12.375 ( 0.000 0.000 0.027) 0.027 12.891 ( 0.000 0.000 15.099) 15.099 13.150 ( 0.000 0.000 -2.534) 2.534 13.197 ( 0.000 0.000 -14.514) 14.514 13.658 ( 0.000 0.000 -6.751) 6.751 13.741 ( 0.000 0.000 -7.613) 7.613 14.054 ( 0.000 0.000 17.482) 17.482 14.326 ( 0.000 0.000 -3.818) 3.818 14.384 ( 0.000 0.000 4.506) 4.506 14.520 ( 0.000 0.000 -18.224) 18.224 14.704 ( 0.000 0.000 12.632) 12.632 14.800 ( 0.000 0.000 -4.848) 4.848 15.051 ( 0.000 0.000 0.669) 0.669 15.320 ( 0.000 0.000 5.830) 5.830 15.320 ( 0.000 0.000 -6.533) 6.533 15.792 ( 0.000 0.000 -4.642) 4.642 16.157 ( 0.000 0.000 -12.798) 12.798 16.180 ( 0.000 0.000 -28.900) 28.900 16.369 ( 0.000 0.000 -3.880) 3.880 16.651 ( 0.000 0.000 -6.426) 6.426 16.936 ( 0.000 0.000 -4.462) 4.462 17.247 ( 0.000 0.000 22.970) 22.970 17.763 ( 0.000 0.000 7.222) 7.222 17.845 ( 0.000 0.000 -2.130) 2.130 18.192 ( 0.000 0.000 0.641) 0.641 18.287 ( 0.000 0.000 -11.281) 11.281 18.411 ( 0.000 0.000 5.850) 5.850 18.598 ( 0.000 0.000 11.367) 11.367 18.777 ( 0.000 0.000 -12.946) 12.946 20.802 ( 0.000 0.000 4.056) 4.056 20.858 ( 0.000 0.000 10.583) 10.583 21.084 ( 0.000 0.000 9.063) 9.063 21.711 ( 0.000 0.000 0.407) 0.407 22.271 ( 0.000 0.000 -0.053) 0.053 22.597 ( 0.000 0.000 -3.061) 3.061 22.836 ( 0.000 0.000 -1.868) 1.868 22.859 ( 0.000 0.000 -1.470) 1.470 22.957 ( 0.000 0.000 -6.986) 6.986 24.134 ( 0.000 0.000 2.095) 2.095 25.121 ( 0.000 0.000 -0.340) 0.340 25.772 ( 0.000 0.000 -0.608) 0.608 27.597 ( 0.000 0.000 -0.962) 0.962 27.765 ( 0.000 0.000 -2.351) 2.351 ======================= Grid point 50 (18/80) ======================= q-point: ( 0.14 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.879 ( 24.019 0.000 18.378) 30.243 0.968 ( 24.113 0.000 20.929) 31.929 1.348 ( 20.536 0.000 35.299) 40.838 1.363 ( 5.507 0.000 22.518) 23.181 2.042 ( 1.230 0.000 -3.883) 4.073 2.168 ( 3.170 0.000 7.813) 8.432 2.684 ( -0.091 0.000 -3.393) 3.394 2.772 ( -4.732 0.000 -6.101) 7.721 2.978 ( -0.501 0.000 -3.344) 3.381 3.362 ( -5.415 0.000 -4.377) 6.963 3.590 ( 5.469 0.000 -0.239) 5.475 4.088 ( -3.596 0.000 -4.558) 5.805 4.193 ( -16.612 0.000 23.956) 29.152 4.407 ( -3.472 0.000 -4.043) 5.329 4.662 ( 6.748 0.000 -0.690) 6.784 4.764 ( 2.468 0.000 17.385) 17.560 5.002 ( -6.349 0.000 11.185) 12.862 5.058 ( 13.156 0.000 -3.691) 13.664 5.500 ( -6.041 0.000 23.607) 24.368 5.695 ( 8.971 0.000 -16.154) 18.478 6.125 ( 12.361 0.000 20.494) 23.933 6.980 ( -11.450 0.000 0.044) 11.450 7.069 ( 5.499 0.000 -4.213) 6.927 7.329 ( -1.477 0.000 8.196) 8.328 7.784 ( -16.360 0.000 7.945) 18.187 8.016 ( 14.881 0.000 0.208) 14.882 8.041 ( -2.414 0.000 -4.306) 4.936 8.088 ( -8.644 0.000 4.707) 9.843 8.256 ( -7.349 0.000 6.281) 9.667 8.535 ( -1.831 0.000 11.973) 12.112 8.537 ( 0.535 0.000 -19.805) 19.812 9.103 ( -4.288 0.000 4.305) 6.076 9.467 ( -4.155 0.000 -3.025) 5.139 9.601 ( -10.919 0.000 -2.801) 11.273 10.049 ( 3.935 0.000 -10.943) 11.629 10.151 ( 14.297 0.000 -4.805) 15.083 10.415 ( -10.489 0.000 12.320) 16.181 10.831 ( -0.630 0.000 -3.807) 3.858 10.839 ( 3.120 0.000 1.795) 3.600 11.018 ( 4.952 0.000 -4.244) 6.522 11.130 ( 12.645 0.000 -9.144) 15.605 11.281 ( 10.775 0.000 -3.182) 11.235 11.550 ( 6.140 0.000 7.234) 9.488 11.630 ( 2.618 0.000 10.942) 11.251 11.681 ( 14.157 0.000 9.127) 16.844 12.164 ( 0.236 0.000 -5.453) 5.458 12.358 ( 0.118 0.000 6.367) 6.368 12.470 ( 8.623 0.000 0.716) 8.652 12.935 ( 4.425 0.000 14.126) 14.802 13.051 ( -9.559 0.000 0.350) 9.566 13.265 ( 6.715 0.000 -12.697) 14.363 13.607 ( -9.488 0.000 -5.152) 10.797 13.661 ( -3.837 0.000 -6.150) 7.249 14.025 ( -4.435 0.000 10.159) 11.085 14.255 ( -2.063 0.000 -5.391) 5.772 14.325 ( -4.286 0.000 3.814) 5.737 14.493 ( -3.912 0.000 -11.408) 12.060 14.674 ( -1.880 0.000 7.609) 7.838 14.787 ( 1.399 0.000 -0.001) 1.399 15.008 ( -14.792 0.000 6.481) 16.149 15.192 ( 2.268 0.000 11.379) 11.603 15.487 ( 0.495 0.000 -9.075) 9.088 15.913 ( 12.617 0.000 -1.610) 12.719 16.055 ( -0.078 0.000 -17.620) 17.621 16.180 ( 2.437 0.000 -15.680) 15.868 16.417 ( 2.533 0.000 -16.905) 17.094 16.650 ( 0.475 0.000 -7.553) 7.568 16.910 ( -2.629 0.000 -4.340) 5.074 17.417 ( 11.783 0.000 10.749) 15.949 17.766 ( 0.235 0.000 7.701) 7.705 17.828 ( -0.557 0.000 2.022) 2.098 18.208 ( 1.667 0.000 1.234) 2.074 18.308 ( 0.814 0.000 -12.117) 12.145 18.346 ( -6.059 0.000 5.503) 8.185 18.589 ( -1.252 0.000 10.296) 10.372 18.789 ( 0.370 0.000 -12.701) 12.706 20.802 ( -0.006 0.000 4.293) 4.293 20.865 ( 0.573 0.000 10.610) 10.625 21.085 ( 0.030 0.000 9.320) 9.320 21.694 ( -41.898 0.000 34.247) 54.114 21.740 ( 3.155 0.000 0.927) 3.289 22.366 ( -3.115 0.000 2.889) 4.249 22.711 ( -6.145 0.000 13.056) 14.430 22.724 ( -7.843 0.000 -2.806) 8.330 23.137 ( 12.555 0.000 -5.561) 13.732 24.208 ( -3.105 0.000 -10.594) 11.039 25.174 ( 6.495 0.000 -2.178) 6.850 25.740 ( -3.213 0.000 -0.760) 3.301 27.631 ( 3.482 0.000 -1.195) 3.682 27.956 ( 7.913 0.000 -13.177) 15.371 ======================= Grid point 51 (19/80) ======================= q-point: ( 0.29 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.275 ( 17.873 0.000 17.462) 24.987 1.377 ( 14.054 0.000 11.412) 18.104 1.563 ( 18.919 0.000 16.648) 25.201 1.760 ( 18.374 0.000 6.098) 19.359 2.061 ( 0.639 0.000 -0.288) 0.701 2.211 ( 3.769 0.000 14.993) 15.460 2.633 ( -10.261 0.000 -5.832) 11.803 2.661 ( -2.868 0.000 -3.502) 4.527 3.005 ( 2.987 0.000 -0.036) 2.987 3.246 ( -6.303 0.000 -3.410) 7.166 3.712 ( 7.034 0.000 -1.712) 7.239 4.009 ( -4.712 0.000 -4.844) 6.758 4.058 ( -0.609 0.000 12.604) 12.619 4.322 ( -5.459 0.000 -3.996) 6.765 4.781 ( 5.621 0.000 -0.500) 5.643 4.806 ( 2.463 0.000 18.260) 18.425 4.946 ( 0.145 0.000 10.187) 10.188 5.271 ( -1.071 0.000 15.053) 15.091 5.486 ( 13.180 0.000 7.727) 15.278 5.800 ( 3.717 0.000 -12.045) 12.605 6.408 ( 16.963 0.000 15.700) 23.113 6.787 ( -7.541 0.000 0.295) 7.547 7.147 ( -1.637 0.000 -4.115) 4.428 7.256 ( -6.556 0.000 11.134) 12.921 7.517 ( -8.210 0.000 7.673) 11.238 7.812 ( -16.110 0.000 9.736) 18.824 7.816 ( -15.506 0.000 1.520) 15.580 8.102 ( -7.444 0.000 6.269) 9.733 8.420 ( 18.158 0.000 -1.167) 18.195 8.540 ( 4.177 0.000 6.144) 7.430 8.571 ( 2.622 0.000 -17.068) 17.269 9.042 ( -2.543 0.000 2.984) 3.920 9.358 ( -7.281 0.000 -7.227) 10.259 9.414 ( -9.622 0.000 -4.587) 10.660 10.049 ( -1.858 0.000 0.066) 1.859 10.149 ( -8.615 0.000 11.724) 14.549 10.477 ( 11.534 0.000 -9.591) 15.001 10.820 ( -1.220 0.000 -6.916) 7.023 10.901 ( 3.857 0.000 0.805) 3.940 11.081 ( 1.025 0.000 -1.220) 1.593 11.302 ( 4.471 0.000 -4.431) 6.295 11.344 ( -0.459 0.000 1.359) 1.434 11.706 ( 6.480 0.000 6.397) 9.105 11.749 ( 14.132 0.000 15.995) 21.344 11.934 ( 10.469 0.000 1.365) 10.558 12.170 ( 0.576 0.000 -0.990) 1.146 12.374 ( 1.689 0.000 4.957) 5.237 12.608 ( 5.735 0.000 1.622) 5.960 12.835 ( -12.844 0.000 6.912) 14.586 13.049 ( 7.798 0.000 8.551) 11.572 13.378 ( 1.497 0.000 -5.103) 5.318 13.467 ( -0.899 0.000 -1.765) 1.981 13.576 ( -6.587 0.000 -6.496) 9.251 13.859 ( -10.622 0.000 -8.234) 13.440 14.247 ( -0.776 0.000 -8.051) 8.088 14.259 ( -6.169 0.000 -1.261) 6.296 14.406 ( -0.445 0.000 11.269) 11.278 14.665 ( 0.476 0.000 2.547) 2.591 14.834 ( -4.147 0.000 5.960) 7.260 14.838 ( 4.095 0.000 0.004) 4.095 15.075 ( -10.700 0.000 19.399) 22.154 15.391 ( -9.283 0.000 -9.832) 13.522 16.171 ( 12.811 0.000 -4.105) 13.453 16.182 ( 8.064 0.000 -29.009) 30.109 16.241 ( 4.075 0.000 -21.375) 21.760 16.457 ( 1.702 0.000 -12.207) 12.325 16.684 ( 3.252 0.000 -8.266) 8.882 16.848 ( -3.592 0.000 -3.619) 5.099 17.609 ( 8.495 0.000 8.045) 11.700 17.769 ( -0.020 0.000 8.616) 8.616 17.854 ( 3.716 0.000 3.597) 5.172 18.210 ( -6.834 0.000 2.696) 7.346 18.262 ( 2.981 0.000 5.870) 6.584 18.318 ( 1.404 0.000 -9.635) 9.737 18.545 ( -3.392 0.000 8.109) 8.790 18.755 ( -4.646 0.000 -13.109) 13.908 20.805 ( 0.436 0.000 5.244) 5.262 20.870 ( -0.298 0.000 10.890) 10.894 21.084 ( -0.134 0.000 9.973) 9.974 21.223 ( -12.809 0.000 24.508) 27.653 21.832 ( 6.806 0.000 2.454) 7.235 22.309 ( -4.385 0.000 4.878) 6.560 22.585 ( -6.395 0.000 6.387) 9.039 22.602 ( -5.290 0.000 -2.442) 5.827 23.381 ( 13.359 0.000 -5.698) 14.524 24.064 ( -10.332 0.000 -8.107) 13.133 25.320 ( 8.089 0.000 -3.410) 8.778 25.663 ( -4.802 0.000 -1.259) 4.964 27.717 ( 5.471 0.000 -1.889) 5.788 27.997 ( -1.820 0.000 -8.648) 8.838 ======================= Grid point 52 (20/80) ======================= q-point: ( 0.43 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.518 ( 7.202 0.000 15.948) 17.499 1.532 ( 4.569 0.000 14.980) 15.661 1.903 ( 9.459 0.000 -1.961) 9.660 1.927 ( 2.212 0.000 -2.068) 3.028 2.111 ( 9.535 0.000 7.796) 12.316 2.358 ( 1.541 0.000 6.838) 7.010 2.411 ( -5.037 0.000 1.062) 5.148 2.566 ( -7.543 0.000 -1.289) 7.653 3.070 ( 3.715 0.000 0.161) 3.718 3.144 ( -4.534 0.000 -1.560) 4.795 3.828 ( 5.276 0.000 -4.194) 6.740 3.919 ( -4.829 0.000 -5.102) 7.025 4.106 ( 4.798 0.000 3.213) 5.774 4.212 ( -6.130 0.000 -1.950) 6.433 4.850 ( 1.945 0.000 9.830) 10.021 4.856 ( 1.956 0.000 2.409) 3.103 5.014 ( 6.485 0.000 19.660) 20.702 5.151 ( -7.744 0.000 25.530) 26.679 5.768 ( 10.959 0.000 -4.790) 11.960 5.847 ( 0.840 0.000 -7.122) 7.171 6.699 ( 10.734 0.000 6.014) 12.304 6.724 ( 0.683 0.000 -3.156) 3.229 6.987 ( -6.892 0.000 6.996) 9.821 7.089 ( -10.805 0.000 14.603) 18.165 7.462 ( -1.589 0.000 1.738) 2.355 7.548 ( -11.128 0.000 3.684) 11.722 7.716 ( 7.540 0.000 14.974) 16.765 7.919 ( -11.604 0.000 11.101) 16.059 8.568 ( 3.967 0.000 -0.797) 4.046 8.607 ( 0.327 0.000 -10.765) 10.770 8.802 ( 15.546 0.000 -5.395) 16.455 8.986 ( -4.456 0.000 -3.386) 5.596 9.227 ( -5.112 0.000 -6.605) 8.352 9.246 ( -7.276 0.000 -3.236) 7.963 10.016 ( -1.072 0.000 5.986) 6.082 10.032 ( -3.371 0.000 10.264) 10.804 10.660 ( 7.819 0.000 -11.171) 13.635 10.771 ( -4.248 0.000 -8.674) 9.659 10.981 ( 4.480 0.000 -1.265) 4.655 11.056 ( -3.198 0.000 -1.611) 3.581 11.326 ( -0.581 0.000 3.664) 3.710 11.328 ( -0.328 0.000 2.674) 2.694 11.846 ( 8.390 0.000 5.413) 9.985 11.985 ( -4.730 0.000 3.480) 5.872 12.026 ( 13.188 0.000 12.822) 18.394 12.173 ( -2.262 0.000 5.656) 6.092 12.430 ( 5.004 0.000 7.362) 8.902 12.592 ( -12.097 0.000 11.249) 16.520 12.800 ( 17.003 0.000 -0.419) 17.008 13.179 ( -20.213 0.000 0.365) 20.216 13.220 ( 10.309 0.000 1.218) 10.381 13.415 ( -10.015 0.000 -4.108) 10.824 13.580 ( 10.172 0.000 -4.348) 11.062 13.746 ( -5.297 0.000 -13.209) 14.231 14.140 ( -1.812 0.000 -0.217) 1.825 14.194 ( -4.595 0.000 -5.768) 7.375 14.505 ( 8.379 0.000 12.944) 15.419 14.643 ( -4.461 0.000 5.235) 6.877 14.812 ( 1.059 0.000 7.809) 7.881 14.877 ( -5.942 0.000 16.711) 17.736 14.976 ( 8.168 0.000 -6.966) 10.735 15.182 ( -12.225 0.000 -9.331) 15.380 16.275 ( 2.311 0.000 -31.203) 31.288 16.282 ( 1.523 0.000 -27.007) 27.050 16.381 ( 7.621 0.000 -7.776) 10.888 16.465 ( -1.522 0.000 -8.901) 9.031 16.747 ( 2.750 0.000 -4.715) 5.459 16.790 ( -2.479 0.000 -2.705) 3.669 17.720 ( 3.645 0.000 9.283) 9.973 17.760 ( -1.034 0.000 9.307) 9.364 17.957 ( 6.408 0.000 2.527) 6.888 18.078 ( -6.798 0.000 3.087) 7.466 18.341 ( 4.802 0.000 8.011) 9.340 18.386 ( 3.804 0.000 -0.026) 3.804 18.483 ( -0.619 0.000 -2.858) 2.924 18.616 ( -9.668 0.000 -13.721) 16.784 20.821 ( 1.275 0.000 7.315) 7.425 20.850 ( -1.654 0.000 10.014) 10.150 21.081 ( 0.030 0.000 11.131) 11.131 21.099 ( -2.543 0.000 14.461) 14.683 21.990 ( 9.809 0.000 4.789) 10.916 22.177 ( -9.506 0.000 6.865) 11.726 22.513 ( -1.192 0.000 -0.194) 1.208 22.528 ( -2.549 0.000 -1.905) 3.182 23.626 ( 12.809 0.000 -5.922) 14.111 23.855 ( -11.862 0.000 -6.545) 13.548 25.457 ( 6.563 0.000 -2.958) 7.199 25.567 ( -5.419 0.000 -2.077) 5.803 27.825 ( 5.881 0.000 -3.119) 6.657 27.928 ( -4.967 0.000 -5.163) 7.164 ======================= Grid point 56 (21/80) ======================= q-point: ( 0.00 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 19.714 21.147) 28.911 0.884 ( 0.000 24.352 13.248) 27.722 1.347 ( 0.000 4.251 22.042) 22.448 1.486 ( 0.000 24.266 35.157) 42.718 1.999 ( 0.000 -4.529 -0.598) 4.569 2.099 ( 0.000 -0.992 4.259) 4.373 2.610 ( 0.000 -7.066 -7.751) 10.488 2.936 ( 0.000 9.698 -2.226) 9.950 3.063 ( 0.000 5.630 -6.790) 8.820 3.286 ( 0.000 -9.528 -2.139) 9.765 3.530 ( 0.000 -4.063 -2.520) 4.781 3.949 ( 0.000 -13.274 -3.329) 13.685 4.089 ( 0.000 -19.142 20.987) 28.406 4.347 ( 0.000 -8.533 -3.812) 9.345 4.709 ( 0.000 2.165 2.990) 3.691 4.749 ( 0.000 5.029 -1.356) 5.208 4.880 ( 0.000 2.352 28.659) 28.755 5.463 ( 0.000 12.590 -6.582) 14.207 5.536 ( 0.000 12.992 -5.490) 14.104 5.716 ( 0.000 11.402 7.689) 13.752 5.869 ( 0.000 -10.630 26.893) 28.917 6.769 ( 0.000 -15.128 -3.981) 15.643 7.181 ( 0.000 2.563 1.380) 2.911 7.526 ( 0.000 13.923 4.445) 14.616 7.606 ( 0.000 -17.045 2.412) 17.215 8.020 ( 0.000 1.167 7.854) 7.940 8.099 ( 0.000 0.399 -3.600) 3.622 8.148 ( 0.000 0.321 0.525) 0.615 8.451 ( 0.000 12.712 3.937) 13.308 8.456 ( 0.000 -3.456 4.019) 5.301 8.603 ( 0.000 -1.522 -6.606) 6.779 9.158 ( 0.000 2.241 6.293) 6.680 9.722 ( 0.000 -9.045 -8.020) 12.089 9.739 ( 0.000 13.535 -6.555) 15.039 9.924 ( 0.000 1.059 -7.217) 7.294 10.102 ( 0.000 3.913 -10.845) 11.530 10.473 ( 0.000 -5.801 16.302) 17.304 10.666 ( 0.000 -10.763 11.337) 15.632 10.833 ( 0.000 -5.912 -12.510) 13.837 10.888 ( 0.000 4.338 2.432) 4.973 11.051 ( 0.000 4.159 -6.801) 7.972 11.149 ( 0.000 10.977 2.668) 11.297 11.439 ( 0.000 -1.222 14.782) 14.833 11.509 ( 0.000 -9.646 9.600) 13.609 11.771 ( 0.000 13.867 17.199) 22.093 12.038 ( 0.000 -5.894 -0.783) 5.945 12.361 ( 0.000 0.415 6.891) 6.903 12.548 ( 0.000 13.613 -6.198) 14.958 12.888 ( 0.000 -2.030 -0.718) 2.153 13.088 ( 0.000 0.328 1.491) 1.527 13.150 ( 0.000 -0.164 -1.960) 1.967 13.560 ( 0.000 -12.106 9.433) 15.347 13.626 ( 0.000 -11.050 -5.936) 12.543 14.186 ( 0.000 13.980 2.970) 14.292 14.276 ( 0.000 -17.407 -17.726) 24.844 14.294 ( 0.000 -1.473 -4.333) 4.577 14.694 ( 0.000 -0.861 10.701) 10.735 14.712 ( 0.000 23.159 -4.867) 23.665 14.876 ( 0.000 3.928 4.196) 5.747 15.068 ( 0.000 -5.635 10.772) 12.157 15.339 ( 0.000 13.108 2.187) 13.289 15.358 ( 0.000 0.673 0.598) 0.900 15.771 ( 0.000 -4.299 -12.807) 13.509 16.117 ( 0.000 -1.049 -7.648) 7.720 16.298 ( 0.000 0.250 -31.964) 31.965 16.341 ( 0.000 -3.408 -2.751) 4.379 16.636 ( 0.000 -1.311 -6.644) 6.772 16.866 ( 0.000 -5.589 -4.309) 7.057 17.514 ( 0.000 11.176 3.263) 11.643 17.767 ( 0.000 0.133 6.825) 6.826 18.049 ( 0.000 14.306 -18.396) 23.304 18.147 ( 0.000 -2.578 -1.569) 3.018 18.264 ( 0.000 -0.548 -2.488) 2.547 18.546 ( 0.000 -4.313 9.419) 10.360 18.546 ( 0.000 9.807 -3.570) 10.437 18.857 ( 0.000 5.572 -19.224) 20.015 20.841 ( 0.000 3.233 4.664) 5.675 20.874 ( 0.000 1.544 11.599) 11.701 21.071 ( 0.000 -1.215 8.843) 8.926 21.480 ( 0.000 -16.782 20.873) 26.783 22.300 ( 0.000 2.830 0.466) 2.868 22.549 ( 0.000 -3.754 -2.352) 4.430 22.732 ( 0.000 -6.899 -3.115) 7.570 22.745 ( 0.000 -7.546 8.468) 11.342 23.048 ( 0.000 5.740 -5.455) 7.919 23.557 ( 0.000 -20.531 18.100) 27.370 25.164 ( 0.000 4.086 -0.340) 4.100 25.726 ( 0.000 -4.377 -0.563) 4.413 27.796 ( 0.000 2.969 -2.649) 3.979 27.982 ( 0.000 12.946 -18.871) 22.885 ======================= Grid point 57 (22/80) ======================= q-point: ( 0.14 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.838 ( 13.524 6.552 21.557) 26.278 1.167 ( 16.346 18.951 17.470) 30.521 1.342 ( 3.055 2.182 20.618) 20.957 1.685 ( 14.374 17.492 14.104) 26.674 2.030 ( 4.481 -0.399 4.828) 6.599 2.141 ( 3.600 -1.867 7.105) 8.180 2.604 ( -1.246 -7.180 -5.083) 8.885 2.875 ( -6.960 8.753 -5.176) 12.323 3.005 ( -2.808 1.495 -2.552) 4.078 3.264 ( -2.371 -7.247 -2.861) 8.144 3.589 ( 5.100 -1.983 -2.349) 5.954 3.927 ( -1.577 -11.859 -0.656) 11.982 4.018 ( -4.509 -10.247 13.894) 17.842 4.319 ( -2.983 -8.345 -3.858) 9.665 4.793 ( 7.061 6.726 0.227) 9.754 4.822 ( 3.529 4.443 17.646) 18.536 4.973 ( 12.380 -1.025 9.590) 15.693 5.315 ( -7.590 18.548 -4.185) 20.473 5.523 ( -7.855 3.625 19.918) 21.716 5.708 ( 5.674 3.671 -9.145) 11.371 6.077 ( 15.299 -2.659 19.522) 24.945 6.815 ( 3.715 -14.686 -3.071) 15.457 7.038 ( -10.484 0.404 2.977) 10.906 7.491 ( -5.561 7.262 2.535) 9.492 7.611 ( -5.414 -8.803 5.125) 11.536 7.929 ( -9.930 -7.878 -1.564) 12.771 8.022 ( 4.071 1.360 5.524) 6.995 8.227 ( -1.299 6.131 -0.422) 6.282 8.367 ( -2.468 6.516 7.634) 10.336 8.540 ( 2.709 5.032 8.094) 9.908 8.617 ( 2.885 5.451 -13.914) 15.219 9.122 ( -1.993 3.837 4.602) 6.314 9.558 ( -16.094 5.861 -3.905) 17.568 9.726 ( -8.798 3.132 -6.303) 11.267 9.909 ( 6.761 -7.427 -7.658) 12.630 10.127 ( 5.451 -4.221 -3.156) 7.583 10.411 ( -3.809 -0.901 13.391) 13.952 10.714 ( -6.330 -1.698 -4.709) 8.070 10.810 ( 5.735 -11.741 1.822) 13.193 11.055 ( 10.905 -4.304 -1.510) 11.820 11.074 ( 0.963 1.436 -8.063) 8.246 11.267 ( 9.391 6.635 1.752) 11.631 11.461 ( 0.683 -7.162 10.749) 12.935 11.630 ( 12.864 -6.142 8.204) 16.447 11.768 ( 0.675 8.079 12.722) 15.086 12.079 ( 2.872 -3.945 3.772) 6.168 12.375 ( 1.871 2.404 3.681) 4.778 12.629 ( 7.827 14.771 -2.798) 16.949 12.933 ( 4.579 -1.439 2.702) 5.508 13.057 ( -8.458 -1.128 -1.463) 8.658 13.091 ( 0.254 -3.891 -0.247) 3.907 13.532 ( -3.392 -7.833 -0.149) 8.538 13.624 ( 0.088 -9.216 3.427) 9.833 14.090 ( -8.269 -0.093 -12.990) 15.399 14.221 ( -0.338 2.536 5.966) 6.492 14.390 ( 2.049 -5.808 -9.686) 11.478 14.570 ( -9.936 17.341 -3.906) 20.364 14.698 ( -0.319 2.561 5.448) 6.028 14.889 ( -2.248 3.222 3.284) 5.121 14.998 ( -4.077 1.177 13.927) 14.559 15.176 ( -6.266 2.345 7.148) 9.791 15.615 ( 6.120 10.457 -11.265) 16.544 15.807 ( 8.831 -8.427 -8.479) 14.863 16.094 ( 0.680 2.600 -7.810) 8.259 16.286 ( -0.054 3.295 -22.016) 22.261 16.352 ( 1.560 -5.884 -11.925) 13.389 16.643 ( 1.058 -0.680 -6.738) 6.854 16.865 ( -0.494 -4.009 -4.410) 5.980 17.542 ( 2.869 7.352 4.614) 9.141 17.747 ( -2.163 -0.000 6.812) 7.147 17.913 ( -6.943 3.912 -2.621) 8.389 18.189 ( -0.230 -1.305 -5.306) 5.469 18.244 ( -1.656 -1.260 0.689) 2.192 18.517 ( -2.720 -0.941 6.873) 7.451 18.549 ( 0.131 9.149 -4.340) 10.127 18.899 ( 2.750 7.323 -18.704) 20.273 20.837 ( -0.300 3.022 5.200) 6.021 20.879 ( 0.469 1.438 11.248) 11.349 21.072 ( -0.005 -1.251 9.105) 9.191 21.376 ( -11.238 -14.055 27.348) 32.737 22.023 ( -16.392 11.265 3.033) 20.119 22.399 ( -3.551 2.897 1.687) 4.884 22.641 ( -7.187 -5.473 4.507) 10.096 22.714 ( -4.341 -1.813 4.547) 6.543 23.164 ( 11.488 2.738 -5.024) 12.834 23.900 ( 15.917 -20.010 -4.719) 26.001 25.189 ( 3.503 2.751 -0.744) 4.516 25.705 ( -2.506 -3.771 -0.953) 4.627 27.727 ( -2.734 5.708 -2.338) 6.747 28.027 ( 1.063 3.721 -12.986) 13.551 ======================= Grid point 58 (23/80) ======================= q-point: ( 0.29 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.227 ( 23.492 -5.692 11.607) 26.814 1.390 ( 9.562 0.303 23.367) 25.250 1.501 ( 11.097 8.910 13.271) 19.459 1.841 ( 3.283 -1.084 -1.086) 3.624 2.134 ( 1.303 2.925 1.855) 3.700 2.269 ( 11.594 6.417 12.683) 18.343 2.523 ( -8.076 -5.598 -0.243) 9.829 2.739 ( -5.693 4.216 -6.779) 9.805 2.989 ( 0.815 -2.096 0.133) 2.252 3.205 ( -3.780 -2.959 -3.546) 5.968 3.694 ( 5.652 -2.251 -2.753) 6.678 3.901 ( -2.018 -8.460 -3.567) 9.400 3.979 ( 1.079 -5.575 8.347) 10.095 4.242 ( -5.001 -7.392 -3.711) 9.665 4.877 ( 3.442 5.166 26.834) 27.542 4.923 ( 6.505 9.814 -1.226) 11.838 5.140 ( -0.246 16.211 0.719) 16.229 5.286 ( -1.160 1.485 15.163) 15.280 5.469 ( 11.125 -0.759 7.245) 13.298 5.806 ( 4.390 3.031 -9.924) 11.267 6.387 ( 17.345 -1.666 17.152) 24.450 6.811 ( -4.262 -0.300 -0.440) 4.295 6.938 ( -1.067 -12.582 3.141) 13.012 7.276 ( -14.784 -3.536 4.142) 15.755 7.468 ( -8.144 -0.317 -1.359) 8.262 7.764 ( -4.775 1.978 8.983) 10.363 8.007 ( -12.488 6.117 5.944) 15.123 8.122 ( -7.912 1.772 5.364) 9.722 8.429 ( 11.534 1.171 2.372) 11.833 8.585 ( 2.801 6.915 4.834) 8.890 8.701 ( 4.724 11.161 -13.015) 17.784 9.091 ( -2.766 4.672 1.599) 5.660 9.295 ( -9.831 -3.456 -3.848) 11.109 9.557 ( -8.824 7.655 -8.554) 14.479 9.968 ( 1.031 -3.797 2.449) 4.635 10.213 ( -2.273 -1.251 2.553) 3.640 10.387 ( 4.148 -3.300 1.540) 5.520 10.645 ( -1.337 -11.512 -4.702) 12.507 10.863 ( 1.987 -8.303 -2.388) 8.866 11.083 ( -0.290 -0.171 -2.208) 2.233 11.218 ( 5.360 -7.755 2.885) 9.858 11.379 ( 2.307 4.607 2.356) 5.666 11.541 ( 9.280 -13.070 12.873) 20.558 11.771 ( 2.930 2.557 2.803) 4.794 11.878 ( 8.374 -5.292 4.947) 11.072 12.093 ( -2.074 -7.338 8.884) 11.708 12.443 ( 5.277 7.212 1.607) 9.080 12.747 ( 1.006 13.374 1.084) 13.455 12.879 ( -5.447 4.775 2.279) 7.594 13.047 ( 4.347 -1.122 5.502) 7.101 13.164 ( 9.459 -13.585 -6.842) 17.912 13.476 ( -2.906 -1.943 -2.529) 4.315 13.582 ( -4.849 -4.038 3.784) 7.358 13.937 ( -6.951 4.077 -12.919) 15.226 14.240 ( 2.591 1.323 9.507) 9.942 14.336 ( -6.585 1.354 -6.666) 9.468 14.424 ( -5.644 11.425 -1.645) 12.848 14.690 ( -1.608 -0.278 3.803) 4.138 14.801 ( -3.857 -0.235 6.008) 7.143 14.935 ( -8.302 -4.752 16.385) 18.973 15.092 ( 2.346 14.169 -2.730) 14.619 15.557 ( -7.402 9.499 -12.793) 17.569 16.050 ( 11.189 -5.007 -16.070) 20.212 16.194 ( 8.692 -0.833 -7.584) 11.565 16.298 ( 0.784 1.755 -25.289) 25.362 16.403 ( 3.535 -4.821 -7.774) 9.807 16.684 ( 3.328 0.324 -5.868) 6.754 16.841 ( -2.003 -0.863 -3.828) 4.405 17.617 ( 4.993 0.916 6.724) 8.425 17.707 ( -1.174 -2.986 7.905) 8.531 17.840 ( -1.946 -2.276 4.959) 5.793 18.094 ( -7.861 -7.385 -3.678) 11.395 18.256 ( 1.771 -0.422 6.934) 7.169 18.452 ( -4.150 -3.411 8.290) 9.878 18.572 ( 3.087 14.924 -11.124) 18.868 18.910 ( -2.136 9.941 -16.953) 19.768 20.834 ( 0.101 2.608 6.181) 6.709 20.883 ( -0.274 1.278 11.210) 11.286 21.070 ( -0.177 -1.328 9.770) 9.861 21.168 ( -8.335 -4.455 22.171) 24.101 21.925 ( 2.436 7.637 1.698) 8.194 22.334 ( -4.705 2.342 4.129) 6.684 22.523 ( -5.034 -4.756 2.174) 7.258 22.606 ( -6.215 -0.807 1.744) 6.505 23.411 ( 14.164 3.068 -5.751) 15.591 24.006 ( -2.221 -5.467 -8.346) 10.222 25.293 ( 6.818 -1.271 -2.035) 7.228 25.633 ( -4.905 -3.082 -1.381) 5.955 27.735 ( 3.029 1.864 -1.866) 4.016 27.999 ( -3.495 -0.404 -7.653) 8.424 ======================= Grid point 59 (24/80) ======================= q-point: ( 0.43 0.17 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 7.665 -0.315 14.939) 16.794 1.588 ( -0.566 0.338 13.824) 13.840 1.722 ( 19.699 -9.660 5.971) 22.738 1.910 ( 2.737 -0.183 -1.387) 3.074 2.103 ( -2.026 -1.348 6.872) 7.291 2.234 ( -13.546 -6.018 6.278) 16.097 2.533 ( 8.105 7.138 0.345) 10.806 2.652 ( -4.872 3.458 -4.626) 7.556 3.037 ( 4.247 -2.776 0.059) 5.074 3.126 ( -4.716 -1.493 -2.190) 5.410 3.784 ( 3.981 -3.916 -4.053) 6.899 3.850 ( -3.213 -5.294 -4.202) 7.484 4.041 ( 4.797 -5.468 2.045) 7.556 4.141 ( -5.661 -6.284 -2.037) 8.700 4.956 ( 4.624 6.556 23.365) 24.703 5.008 ( 0.969 11.046 7.054) 13.142 5.139 ( 1.429 13.044 5.861) 14.372 5.194 ( -4.550 5.126 19.112) 20.304 5.750 ( 12.075 -1.750 -5.185) 13.257 5.858 ( 0.047 2.068 -7.029) 7.327 6.674 ( 10.951 -2.777 10.241) 15.249 6.774 ( -0.172 2.423 -2.265) 3.321 6.861 ( -2.553 -9.346 4.896) 10.856 7.022 ( -12.822 -4.254 7.743) 15.570 7.422 ( 5.868 -0.476 0.442) 5.904 7.655 ( -15.518 6.151 3.399) 17.035 7.814 ( 3.108 7.946 16.239) 18.344 7.952 ( -9.404 3.171 11.523) 15.208 8.657 ( 4.692 7.506 0.267) 8.856 8.677 ( 11.199 -1.717 -5.994) 12.817 8.746 ( 1.400 4.179 -3.965) 5.928 8.946 ( -11.999 -4.638 -5.010) 13.805 9.258 ( 4.907 6.429 -3.829) 8.948 9.397 ( -8.533 9.947 -8.038) 15.374 10.003 ( 3.545 0.774 7.107) 7.980 10.103 ( -6.735 4.126 8.010) 11.250 10.494 ( 5.898 -13.086 -7.768) 16.321 10.597 ( -4.638 -14.438 -6.470) 16.487 10.947 ( 6.532 -4.681 -1.349) 8.149 11.049 ( -3.638 -1.076 -0.294) 3.805 11.286 ( 3.443 -4.457 7.880) 9.686 11.360 ( -3.675 0.581 4.986) 6.222 11.758 ( 11.578 -18.101 10.641) 23.977 11.837 ( 3.340 -2.024 1.575) 4.211 11.954 ( 0.017 -0.987 3.555) 3.689 12.003 ( -6.654 -11.516 12.895) 18.525 12.539 ( 4.890 6.658 0.216) 8.263 12.651 ( -7.219 2.843 0.616) 7.783 12.934 ( 9.984 11.537 4.409) 15.882 13.133 ( -2.902 -4.818 -2.661) 6.222 13.235 ( 1.266 -0.073 3.062) 3.314 13.368 ( -7.693 -3.557 -4.028) 9.384 13.627 ( 11.884 2.616 -2.213) 12.368 13.835 ( -7.054 6.280 -9.466) 13.372 14.219 ( -3.231 4.973 -2.078) 6.284 14.247 ( -3.854 8.536 -0.878) 9.407 14.418 ( 7.010 -2.716 10.118) 12.605 14.588 ( -9.171 -5.267 9.736) 14.375 14.772 ( 0.262 -0.525 4.463) 4.501 14.804 ( -3.707 -2.669 8.099) 9.298 15.211 ( 8.773 15.674 -7.223) 19.360 15.391 ( -9.934 12.960 -10.173) 19.239 16.197 ( 5.497 -5.223 -24.723) 25.860 16.267 ( -1.834 -4.254 -26.364) 26.768 16.374 ( 6.508 0.269 -8.046) 10.352 16.442 ( -0.400 -2.006 -6.880) 7.177 16.751 ( 3.235 0.955 -2.857) 4.421 16.800 ( -2.299 1.018 -2.363) 3.450 17.702 ( 2.675 -1.494 9.033) 9.538 17.714 ( 1.372 -4.444 8.525) 9.712 17.832 ( 2.223 -7.691 5.040) 9.460 17.940 ( -8.025 -10.203 1.465) 13.063 18.298 ( 2.973 -1.501 7.130) 7.870 18.369 ( -4.431 -3.185 7.583) 9.342 18.674 ( 7.493 15.379 -14.068) 22.149 18.819 ( -7.110 12.766 -15.442) 21.260 20.843 ( 0.934 2.092 8.008) 8.329 20.866 ( -1.355 1.554 10.377) 10.580 21.067 ( -0.045 -1.411 10.932) 11.023 21.080 ( -1.961 -1.795 14.042) 14.291 22.034 ( 8.231 4.075 3.920) 9.986 22.202 ( -9.002 2.432 6.039) 11.109 22.476 ( -0.012 -3.325 -0.742) 3.407 22.511 ( -3.639 -1.866 -0.953) 4.199 23.669 ( 13.175 4.126 -6.319) 15.183 23.886 ( -9.686 2.502 -7.222) 12.338 25.419 ( 6.513 -3.169 -2.374) 7.622 25.533 ( -5.754 -3.249 -1.938) 6.887 27.816 ( 5.166 -0.636 -2.747) 5.885 27.915 ( -5.219 -1.336 -4.564) 7.061 ======================= Grid point 63 (25/80) ======================= q-point: ( 0.00 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.301 ( 0.000 13.714 7.100) 15.443 1.367 ( 0.000 27.840 6.034) 28.487 1.577 ( 0.000 19.449 11.215) 22.451 1.793 ( 0.000 -8.540 -1.267) 8.633 2.043 ( 0.000 23.578 20.452) 31.212 2.048 ( 0.000 -4.472 6.184) 7.631 2.396 ( 0.000 -13.721 -5.582) 14.813 3.052 ( 0.000 -15.458 -1.233) 15.508 3.068 ( 0.000 3.325 -0.348) 3.343 3.269 ( 0.000 12.939 -5.487) 14.054 3.316 ( 0.000 -13.587 -2.676) 13.848 3.713 ( 0.000 -9.524 -2.893) 9.953 3.877 ( 0.000 -3.084 10.575) 11.016 4.133 ( 0.000 -11.390 -1.742) 11.522 4.748 ( 0.000 1.851 0.467) 1.909 4.800 ( 0.000 0.301 -1.753) 1.779 5.004 ( 0.000 9.418 29.830) 31.281 5.547 ( 0.000 -14.236 26.305) 29.910 5.755 ( 0.000 15.699 2.467) 15.891 5.947 ( 0.000 19.356 -0.953) 19.379 6.018 ( 0.000 17.074 -2.896) 17.318 6.442 ( 0.000 -16.712 -0.615) 16.723 7.133 ( 0.000 -8.572 -0.475) 8.585 7.210 ( 0.000 -19.633 2.904) 19.846 7.790 ( 0.000 9.808 1.251) 9.887 8.029 ( 0.000 3.854 9.578) 10.324 8.075 ( 0.000 -6.102 -2.770) 6.701 8.222 ( 0.000 12.161 0.571) 12.175 8.355 ( 0.000 -7.027 12.928) 14.714 8.624 ( 0.000 1.890 -6.127) 6.412 8.826 ( 0.000 21.198 0.586) 21.206 9.224 ( 0.000 2.933 6.001) 6.680 9.515 ( 0.000 -10.166 -11.459) 15.318 9.715 ( 0.000 -19.675 -13.220) 23.704 9.946 ( 0.000 1.442 0.146) 1.449 10.031 ( 0.000 1.150 -3.747) 3.919 10.380 ( 0.000 -7.117 15.776) 17.307 10.445 ( 0.000 -9.339 9.385) 13.240 10.883 ( 0.000 9.736 -10.233) 14.125 10.988 ( 0.000 4.220 1.574) 4.504 11.146 ( 0.000 4.495 -13.576) 14.301 11.324 ( 0.000 -1.317 15.187) 15.244 11.343 ( 0.000 1.491 -7.102) 7.256 11.432 ( 0.000 0.048 13.840) 13.840 11.969 ( 0.000 0.082 7.283) 7.284 12.014 ( 0.000 8.209 22.715) 24.152 12.399 ( 0.000 3.994 4.232) 5.819 12.629 ( 0.000 -3.389 -9.283) 9.882 12.947 ( 0.000 6.149 -2.650) 6.696 13.129 ( 0.000 -2.482 -1.496) 2.898 13.153 ( 0.000 -7.742 17.455) 19.095 13.313 ( 0.000 -17.495 -1.327) 17.545 13.492 ( 0.000 17.052 1.525) 17.121 13.979 ( 0.000 -10.032 -17.202) 19.913 14.302 ( 0.000 3.746 -10.154) 10.823 14.451 ( 0.000 10.612 2.848) 10.987 14.670 ( 0.000 -1.747 7.699) 7.895 14.904 ( 0.000 -2.857 13.601) 13.898 14.983 ( 0.000 -1.990 15.854) 15.979 15.166 ( 0.000 -18.292 -0.868) 18.313 15.219 ( 0.000 24.917 -9.009) 26.495 15.659 ( 0.000 16.200 2.081) 16.333 15.739 ( 0.000 2.549 -25.593) 25.719 16.086 ( 0.000 -4.039 -2.000) 4.507 16.214 ( 0.000 -6.640 -21.796) 22.785 16.218 ( 0.000 -8.571 0.351) 8.578 16.613 ( 0.000 -0.374 -7.176) 7.186 16.739 ( 0.000 -6.180 -4.868) 7.867 17.654 ( 0.000 4.296 3.284) 5.408 17.755 ( 0.000 -1.353 4.916) 5.099 18.158 ( 0.000 4.189 0.187) 4.193 18.237 ( 0.000 4.324 -16.647) 17.199 18.265 ( 0.000 0.496 -3.044) 3.084 18.437 ( 0.000 -6.302 7.592) 9.867 18.746 ( 0.000 8.966 -10.923) 14.132 18.930 ( 0.000 0.874 -22.095) 22.113 20.914 ( 0.000 3.614 6.055) 7.051 20.924 ( 0.000 3.513 14.639) 15.055 21.036 ( 0.000 -2.218 8.379) 8.668 21.192 ( 0.000 -10.800 25.579) 27.766 22.381 ( 0.000 4.886 1.826) 5.216 22.492 ( 0.000 -1.232 -2.410) 2.706 22.598 ( 0.000 -5.794 -3.020) 6.533 22.613 ( 0.000 -5.887 6.947) 9.106 23.158 ( 0.000 4.845 -4.570) 6.660 23.340 ( 0.000 -5.578 2.260) 6.018 25.280 ( 0.000 7.062 -0.342) 7.070 25.603 ( 0.000 -7.340 -0.464) 7.355 27.879 ( 0.000 4.962 -3.659) 6.165 28.065 ( 0.000 -1.657 -10.460) 10.590 ======================= Grid point 64 (26/80) ======================= q-point: ( 0.14 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.201 ( -2.306 21.043 5.979) 21.997 1.457 ( -1.450 10.687 13.280) 17.108 1.592 ( 8.984 19.621 11.308) 24.363 1.775 ( -1.745 -4.872 3.192) 6.080 2.072 ( 2.911 -4.506 3.396) 6.349 2.242 ( 14.665 17.831 10.998) 25.573 2.381 ( -1.408 -14.048 -2.114) 14.276 2.963 ( -5.459 -6.199 0.414) 8.270 3.051 ( -11.216 3.238 -3.111) 12.082 3.135 ( 1.898 -4.367 -3.076) 5.669 3.501 ( 8.823 -2.825 -4.903) 10.482 3.720 ( 1.080 -7.910 -2.944) 8.509 3.879 ( 0.243 -2.523 7.858) 8.257 4.112 ( -2.129 -10.812 -2.109) 11.220 4.859 ( 10.437 1.241 2.408) 10.783 4.888 ( 8.992 0.197 -1.168) 9.070 5.027 ( 3.597 7.722 26.554) 27.887 5.453 ( -7.086 -6.749 26.245) 28.010 5.789 ( -6.180 19.347 -4.612) 20.827 5.876 ( 4.412 13.605 -1.049) 14.341 6.154 ( 9.789 9.655 7.019) 15.437 6.491 ( 5.024 -16.529 -0.140) 17.276 6.959 ( -10.119 -7.770 2.476) 12.996 7.305 ( 1.025 -14.263 1.779) 14.410 7.755 ( -3.505 7.805 -0.512) 8.571 7.786 ( -14.194 -1.842 -1.988) 14.450 8.065 ( -0.823 2.365 10.105) 10.411 8.282 ( -3.629 -2.169 9.271) 10.189 8.432 ( 7.921 6.695 0.806) 10.403 8.754 ( 12.001 8.676 -5.324) 15.736 8.839 ( 1.109 16.617 1.198) 16.697 9.208 ( -1.322 3.032 3.446) 4.776 9.459 ( -11.380 -12.266 -8.229) 18.646 9.712 ( -0.584 -12.480 -7.141) 14.390 9.818 ( -4.380 4.297 -7.218) 9.474 9.995 ( -1.839 -5.627 1.633) 6.141 10.360 ( -0.949 -5.848 10.576) 12.122 10.512 ( 2.154 -12.707 14.831) 19.649 10.813 ( -3.378 9.386 -14.074) 17.250 11.036 ( 0.532 3.416 4.948) 6.036 11.081 ( -2.662 -0.821 -10.992) 11.340 11.297 ( -2.775 -7.537 5.819) 9.918 11.457 ( 9.385 8.994 5.973) 14.306 11.569 ( 11.847 0.299 6.894) 13.710 11.845 ( -7.311 0.501 8.846) 11.487 12.043 ( -2.064 -0.982 18.440) 18.581 12.468 ( 6.788 6.315 2.263) 9.543 12.717 ( 8.683 -5.047 -8.638) 13.247 12.963 ( 1.121 3.242 -1.676) 3.818 13.021 ( -6.378 -4.166 2.558) 8.035 13.203 ( -3.470 4.001 2.872) 6.025 13.299 ( 4.440 -11.689 8.295) 15.005 13.491 ( -0.712 6.928 1.266) 7.079 13.992 ( 1.120 -5.109 -16.148) 16.974 14.332 ( 2.477 2.871 -7.566) 8.463 14.414 ( -3.666 9.225 4.430) 10.870 14.645 ( -2.589 -2.376 4.781) 5.933 14.865 ( -4.187 2.061 9.648) 10.717 14.927 ( -5.351 -1.243 13.718) 14.777 14.956 ( -11.466 -5.064 1.325) 12.604 15.336 ( 4.396 13.679 -7.917) 16.405 15.688 ( -0.581 1.194 -18.612) 18.659 15.861 ( 13.301 10.928 -6.363) 18.353 16.090 ( 0.399 -3.416 -2.641) 4.336 16.185 ( -0.173 -9.294 -11.929) 15.123 16.276 ( 3.810 -4.074 -10.443) 11.840 16.632 ( 2.345 0.153 -6.010) 6.453 16.764 ( 2.290 -5.352 -4.837) 7.568 17.651 ( -0.197 3.770 4.080) 5.558 17.745 ( -1.236 -0.959 5.677) 5.889 17.982 ( -14.002 4.679 -5.036) 15.598 18.166 ( -9.459 -1.553 -7.997) 12.484 18.245 ( -0.024 1.148 4.184) 4.339 18.407 ( -2.329 -6.221 7.577) 10.077 18.800 ( 4.061 10.839 -13.709) 17.942 18.999 ( 5.021 1.706 -22.246) 22.869 20.909 ( -0.468 3.762 7.442) 8.352 20.925 ( 0.001 3.014 13.039) 13.383 21.035 ( -0.115 -2.291 8.599) 8.900 21.150 ( -4.067 -8.578 24.046) 25.853 22.199 ( -10.770 6.977 -0.288) 12.836 22.442 ( -4.629 -1.386 -1.387) 5.027 22.535 ( -4.110 -2.005 4.027) 6.094 22.657 ( -1.708 -3.555 4.041) 5.647 23.249 ( 10.811 5.495 -4.774) 13.033 23.578 ( 18.237 -11.802 -4.482) 22.180 25.288 ( 0.810 6.466 -0.521) 6.537 25.592 ( -1.476 -6.948 -0.775) 7.145 27.838 ( -3.365 5.506 -3.218) 7.211 28.036 ( -2.974 -2.519 -8.410) 9.269 ======================= Grid point 65 (27/80) ======================= q-point: ( 0.29 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.271 ( 9.149 9.028 5.402) 13.943 1.438 ( 0.746 3.924 14.661) 15.195 1.724 ( -0.131 6.112 11.237) 12.792 1.819 ( 10.307 6.089 7.715) 14.242 2.101 ( -1.013 -4.556 2.109) 5.121 2.296 ( -5.316 -11.201 2.786) 12.707 2.499 ( 8.710 8.684 3.739) 12.855 2.824 ( -8.887 0.124 -1.146) 8.962 2.934 ( -0.272 -0.293 -1.619) 1.667 3.142 ( -1.450 -4.131 -4.809) 6.503 3.623 ( 4.763 -2.695 -4.963) 7.388 3.750 ( 1.433 -5.833 -3.714) 7.062 3.890 ( 1.146 -2.344 3.989) 4.766 4.060 ( -3.286 -9.304 -2.408) 10.157 5.004 ( 4.110 6.993 25.561) 26.817 5.075 ( 11.061 4.547 -0.142) 11.960 5.246 ( 15.320 -2.059 2.697) 15.691 5.335 ( -3.271 -1.745 24.736) 25.013 5.671 ( -3.613 19.645 -3.067) 20.208 5.958 ( 2.376 10.000 -7.740) 12.867 6.361 ( 11.619 -1.858 13.228) 17.704 6.602 ( 5.435 -14.529 2.232) 15.673 6.823 ( -3.555 -0.534 3.275) 4.863 7.205 ( -10.244 -5.155 2.206) 11.679 7.514 ( -10.595 5.052 -5.292) 12.876 7.774 ( 2.078 -2.690 -0.886) 3.513 8.055 ( -1.585 2.384 13.124) 13.433 8.168 ( -8.317 0.779 10.677) 13.557 8.503 ( 1.408 7.468 -1.356) 7.719 8.815 ( -2.061 12.558 2.928) 13.058 8.971 ( 3.937 12.086 -4.801) 13.587 9.145 ( -17.828 -5.820 -2.981) 18.989 9.227 ( 7.041 3.001 0.863) 7.702 9.621 ( -4.661 -1.002 -11.984) 12.897 9.894 ( 4.901 -4.195 -3.734) 7.454 10.043 ( 6.754 -13.296 1.099) 14.953 10.358 ( 2.124 -4.872 8.550) 10.067 10.472 ( -6.354 -2.507 14.948) 16.435 10.760 ( -2.876 3.428 -12.151) 12.949 11.020 ( 0.809 -6.210 -7.005) 9.396 11.082 ( 0.621 -2.560 6.801) 7.293 11.264 ( -0.225 -9.632 9.155) 13.291 11.534 ( -3.664 5.746 13.868) 15.452 11.778 ( 5.993 -0.257 0.020) 5.999 11.809 ( 6.537 -2.353 1.815) 7.181 11.940 ( -6.387 -7.979 17.392) 20.173 12.595 ( 5.015 6.365 -4.051) 9.060 12.822 ( -5.058 -5.322 -9.775) 12.225 12.961 ( 4.201 -4.080 -1.520) 6.050 12.994 ( 4.880 -2.089 0.351) 5.320 13.155 ( 1.237 12.943 6.029) 14.332 13.434 ( 5.141 -8.338 11.585) 15.171 13.458 ( 0.658 6.793 -0.309) 6.832 13.997 ( -1.847 -2.435 -13.103) 13.455 14.333 ( -2.994 6.658 6.975) 10.097 14.368 ( 0.320 5.754 -3.246) 6.614 14.582 ( -4.031 -2.959 2.298) 5.503 14.727 ( -9.141 5.279 -0.051) 10.556 14.820 ( -4.512 -4.732 9.525) 11.553 14.830 ( -3.575 2.185 9.193) 10.102 15.407 ( 3.911 14.362 -11.374) 18.733 15.657 ( -2.612 2.071 -21.903) 22.155 16.055 ( 3.724 2.539 -7.833) 9.037 16.103 ( 1.683 -7.663 -7.324) 10.733 16.252 ( 8.106 -3.644 -10.194) 13.524 16.357 ( 4.668 -0.099 -9.437) 10.529 16.703 ( 4.926 1.409 -3.312) 6.101 16.806 ( 1.835 -2.597 -4.043) 5.144 17.650 ( -0.397 2.240 5.048) 5.537 17.687 ( -4.988 0.862 7.025) 8.658 17.782 ( -5.430 -2.418 3.119) 6.712 17.945 ( -12.828 -7.074 -2.550) 14.869 18.254 ( 0.763 0.457 7.097) 7.153 18.359 ( -2.725 -4.523 7.084) 8.835 18.871 ( 3.751 12.170 -16.811) 21.090 19.056 ( 0.620 3.510 -21.169) 21.467 20.900 ( -0.356 3.619 8.569) 9.309 20.922 ( -0.379 2.475 11.971) 12.230 21.031 ( -0.284 -2.418 9.160) 9.478 21.072 ( -3.543 -4.668 18.554) 19.458 22.091 ( -0.949 7.981 0.212) 8.040 22.375 ( -2.379 -2.503 -1.148) 3.640 22.429 ( -6.752 -0.215 5.111) 8.471 22.567 ( -6.504 -2.813 2.407) 7.484 23.510 ( 15.595 6.633 -6.263) 18.067 23.857 ( 9.999 -8.677 -8.193) 15.569 25.311 ( 1.804 3.258 -0.941) 3.841 25.539 ( -4.176 -5.848 -1.237) 7.292 27.794 ( -0.806 3.787 -2.290) 4.498 27.962 ( -4.624 -3.170 -5.437) 7.810 ======================= Grid point 66 (28/80) ======================= q-point: ( 0.43 0.33 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.449 ( 6.247 -6.194 5.020) 10.129 1.472 ( 1.981 -2.941 9.570) 10.206 1.758 ( 6.505 7.223 13.187) 16.382 1.935 ( -6.110 2.075 2.899) 7.074 2.062 ( 4.335 -0.033 9.751) 10.671 2.184 ( -6.265 -2.708 8.140) 10.622 2.599 ( 3.779 1.258 -0.568) 4.023 2.685 ( -5.890 -0.553 -1.863) 6.203 2.994 ( 5.220 -0.458 -3.045) 6.061 3.087 ( -4.237 -2.487 -4.960) 6.982 3.695 ( 3.292 -3.623 -4.549) 6.683 3.747 ( -1.889 -4.633 -4.241) 6.559 3.930 ( 3.072 -4.345 0.726) 5.371 3.994 ( -3.647 -6.976 -1.583) 8.029 5.078 ( 4.365 5.733 28.844) 29.731 5.163 ( -3.808 3.494 24.883) 25.414 5.340 ( 8.513 8.720 1.419) 12.269 5.445 ( -0.576 9.791 -2.845) 10.213 5.749 ( 11.673 4.488 -4.002) 13.131 5.934 ( -5.827 3.912 -6.623) 9.650 6.560 ( 9.036 -6.780 11.304) 15.981 6.643 ( -0.595 -9.408 4.490) 10.442 6.825 ( 2.943 1.997 -1.117) 3.728 6.979 ( -12.552 -1.640 -1.150) 12.711 7.492 ( 9.425 7.446 -1.687) 12.130 7.741 ( -10.389 1.322 -0.520) 10.486 7.976 ( -2.515 6.757 17.268) 18.713 8.024 ( -5.187 3.155 13.959) 15.223 8.588 ( 8.857 -1.914 -1.295) 9.153 8.779 ( -5.556 -2.116 -2.750) 6.551 8.872 ( -6.904 3.787 1.175) 7.962 8.916 ( -5.593 6.246 0.305) 8.390 9.423 ( 9.575 7.104 -6.848) 13.749 9.545 ( -4.344 1.455 -11.552) 12.427 10.015 ( 8.831 -1.381 0.644) 8.961 10.140 ( 0.934 0.451 0.095) 1.041 10.319 ( -5.425 -3.457 6.471) 9.124 10.368 ( -4.669 -0.577 5.039) 6.893 10.813 ( 10.104 -6.100 -2.436) 12.051 10.994 ( -6.114 -5.166 -0.650) 8.031 11.134 ( 5.495 -9.451 9.814) 14.691 11.246 ( -4.458 -11.205 6.454) 13.678 11.475 ( 2.956 -6.888 17.053) 18.628 11.650 ( -12.897 -12.667 13.535) 22.583 11.940 ( 6.360 3.024 1.167) 7.139 11.981 ( 2.828 1.569 -0.004) 3.234 12.635 ( 0.741 2.588 -10.103) 10.456 12.688 ( -5.826 0.958 -10.343) 11.910 13.052 ( 5.262 -1.087 0.061) 5.374 13.096 ( 1.523 -1.701 0.218) 2.293 13.241 ( 6.699 6.079 8.173) 12.191 13.360 ( -5.762 1.402 6.563) 8.845 13.646 ( 12.479 1.611 0.678) 12.601 13.878 ( -10.804 -2.638 -6.887) 13.081 14.323 ( 2.484 0.619 8.211) 8.601 14.381 ( -0.626 5.489 1.658) 5.768 14.506 ( -1.541 3.264 2.713) 4.516 14.578 ( -6.770 10.326 -2.830) 12.668 14.772 ( -0.564 -0.776 5.803) 5.882 14.785 ( -1.634 0.958 6.807) 7.065 15.492 ( 5.178 10.988 -15.947) 20.047 15.588 ( -4.733 6.215 -19.769) 21.256 16.085 ( 1.572 -5.620 -10.886) 12.351 16.113 ( -0.906 -9.269 -12.951) 15.952 16.396 ( 5.257 1.529 -9.622) 11.071 16.426 ( 1.809 1.207 -8.944) 9.204 16.790 ( 3.660 2.400 -1.107) 4.515 16.824 ( -0.124 0.975 -1.932) 2.167 17.608 ( 0.404 -4.368 6.031) 7.457 17.671 ( -1.198 -1.819 8.475) 8.751 17.714 ( -3.086 -4.557 5.764) 7.969 17.746 ( -5.747 -6.898 2.811) 9.408 18.274 ( 1.471 -0.759 7.614) 7.792 18.310 ( -2.394 -2.481 7.201) 7.984 18.947 ( 4.419 10.167 -18.780) 21.808 19.025 ( -3.470 6.488 -19.961) 21.274 20.899 ( 0.282 3.141 9.799) 10.294 20.910 ( -0.797 2.593 11.293) 11.614 21.026 ( -0.184 -2.495 10.205) 10.507 21.031 ( -0.955 -2.841 12.844) 13.190 22.140 ( 5.514 5.933 2.122) 8.373 22.272 ( -7.980 4.202 4.072) 9.895 22.385 ( 1.800 -5.326 -0.553) 5.649 22.453 ( -5.227 -3.732 0.156) 6.424 23.780 ( 12.212 6.112 -7.432) 15.548 23.926 ( -2.588 0.578 -8.414) 8.822 25.362 ( 3.758 -1.683 -1.320) 4.324 25.448 ( -5.189 -4.593 -1.456) 7.081 27.811 ( 2.465 0.400 -2.253) 3.364 27.877 ( -4.311 -2.208 -3.337) 5.882 ======================= Grid point 70 (29/80) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 -12.491 5.311) 13.573 1.552 ( 0.000 12.491 5.311) 13.573 1.803 ( 0.000 -11.575 3.029) 11.964 1.803 ( 0.000 11.575 3.029) 11.964 2.064 ( 0.000 -16.406 3.234) 16.722 2.064 ( 0.000 16.406 3.234) 16.722 2.589 ( 0.000 -27.340 2.250) 27.433 2.589 ( 0.000 27.340 2.250) 27.433 3.137 ( 0.000 -4.625 0.050) 4.625 3.137 ( 0.000 4.625 0.050) 4.625 3.514 ( 0.000 -10.677 -4.059) 11.423 3.514 ( 0.000 10.677 -4.059) 11.423 3.929 ( 0.000 -7.357 3.286) 8.057 3.929 ( 0.000 7.357 3.286) 8.057 4.783 ( 0.000 -1.505 -1.166) 1.904 4.783 ( 0.000 1.505 -1.166) 1.904 5.248 ( 0.000 -13.951 29.781) 32.887 5.248 ( 0.000 13.951 29.781) 32.887 6.091 ( 0.000 -16.722 3.603) 17.106 6.091 ( 0.000 16.722 3.603) 17.106 6.244 ( 0.000 -2.043 -5.036) 5.435 6.244 ( 0.000 2.043 -5.036) 5.435 6.956 ( 0.000 -0.571 1.438) 1.547 6.956 ( 0.000 0.571 1.438) 1.547 7.940 ( 0.000 -6.648 -3.185) 7.372 7.940 ( 0.000 6.648 -3.185) 7.372 8.186 ( 0.000 -9.032 13.282) 16.062 8.186 ( 0.000 9.032 13.282) 16.062 8.525 ( 0.000 -13.259 1.773) 13.377 8.525 ( 0.000 13.259 1.773) 13.377 9.203 ( 0.000 -10.787 1.866) 10.948 9.203 ( 0.000 10.787 1.866) 10.948 9.387 ( 0.000 -3.181 -16.620) 16.922 9.387 ( 0.000 3.181 -16.620) 16.922 9.996 ( 0.000 -3.565 4.236) 5.537 9.996 ( 0.000 3.565 4.236) 5.537 10.319 ( 0.000 -2.340 7.828) 8.170 10.319 ( 0.000 2.340 7.828) 8.170 11.020 ( 0.000 -2.074 0.039) 2.075 11.020 ( 0.000 2.074 0.039) 2.075 11.230 ( 0.000 -4.023 -14.155) 14.716 11.230 ( 0.000 4.023 -14.155) 14.716 11.420 ( 0.000 -1.805 9.836) 10.000 11.420 ( 0.000 1.805 9.836) 10.000 12.049 ( 0.000 -4.470 20.518) 20.999 12.049 ( 0.000 4.470 20.518) 20.999 12.524 ( 0.000 -6.896 -0.494) 6.913 12.524 ( 0.000 6.896 -0.494) 6.913 13.013 ( 0.000 -4.165 -0.437) 4.188 13.013 ( 0.000 4.165 -0.437) 4.188 13.096 ( 0.000 -4.293 6.645) 7.911 13.096 ( 0.000 4.293 6.645) 7.911 13.818 ( 0.000 -9.258 -11.345) 14.642 13.818 ( 0.000 9.258 -11.345) 14.642 14.562 ( 0.000 -20.014 -4.330) 20.477 14.562 ( 0.000 20.014 -4.330) 20.477 14.615 ( 0.000 -7.541 8.013) 11.003 14.615 ( 0.000 7.541 8.013) 11.003 14.980 ( 0.000 -1.642 13.410) 13.510 14.980 ( 0.000 1.642 13.410) 13.510 15.653 ( 0.000 -15.020 -18.444) 23.786 15.653 ( 0.000 15.020 -18.444) 23.786 15.960 ( 0.000 -11.865 -0.493) 11.876 15.960 ( 0.000 11.865 -0.493) 11.876 16.088 ( 0.000 -2.901 -8.374) 8.862 16.088 ( 0.000 2.901 -8.374) 8.862 16.639 ( 0.000 -3.177 -6.226) 6.990 16.639 ( 0.000 3.177 -6.226) 6.990 17.718 ( 0.000 -2.277 3.463) 4.144 17.718 ( 0.000 2.277 3.463) 4.144 18.268 ( 0.000 -1.099 -10.894) 10.950 18.268 ( 0.000 1.099 -10.894) 10.950 18.295 ( 0.000 -6.427 6.028) 8.812 18.295 ( 0.000 6.427 6.028) 8.812 18.890 ( 0.000 -4.717 -17.522) 18.145 18.890 ( 0.000 4.717 -17.522) 18.145 20.982 ( 0.000 -2.951 6.761) 7.376 20.982 ( 0.000 2.951 6.761) 7.376 21.023 ( 0.000 -6.212 20.579) 21.496 21.023 ( 0.000 6.212 20.579) 21.496 22.489 ( 0.000 -4.434 1.900) 4.824 22.489 ( 0.000 4.434 1.900) 4.824 22.512 ( 0.000 -1.322 -0.694) 1.493 22.512 ( 0.000 1.322 -0.694) 1.493 23.248 ( 0.000 -4.137 -2.793) 4.991 23.248 ( 0.000 4.137 -2.793) 4.991 25.440 ( 0.000 -8.244 -0.379) 8.253 25.440 ( 0.000 8.244 -0.379) 8.253 27.986 ( 0.000 -5.114 -5.839) 7.762 27.986 ( 0.000 5.114 -5.839) 7.762 ======================= Grid point 72 (30/80) ======================= q-point: ( 0.14 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.498 ( -4.162 -10.150 3.558) 11.532 1.498 ( -4.162 10.150 3.558) 11.532 1.866 ( 4.636 -12.750 4.630) 14.335 1.866 ( 4.636 12.750 4.630) 14.335 2.023 ( -2.445 -16.740 6.584) 18.154 2.023 ( -2.445 16.740 6.584) 18.154 2.660 ( 5.217 -20.190 1.134) 20.884 2.660 ( 5.217 20.190 1.134) 20.884 3.079 ( -4.676 -1.531 -1.360) 5.105 3.079 ( -4.676 1.531 -1.360) 5.105 3.570 ( 4.705 -6.959 -4.694) 9.623 3.570 ( 4.705 6.959 -4.694) 9.623 3.923 ( -0.591 -6.539 2.422) 6.998 3.923 ( -0.591 6.539 2.422) 6.998 4.876 ( 9.876 -0.800 -0.840) 9.944 4.876 ( 9.876 0.800 -0.840) 9.944 5.239 ( -0.774 -11.810 29.451) 31.741 5.239 ( -0.774 11.810 29.451) 31.741 6.134 ( -0.833 -12.412 -2.194) 12.632 6.134 ( -0.833 12.412 -2.194) 12.632 6.201 ( 1.439 -7.843 1.666) 8.146 6.201 ( 1.439 7.843 1.666) 8.146 6.977 ( 1.660 -13.318 2.375) 13.630 6.977 ( 1.660 13.318 2.375) 13.630 7.811 ( -10.097 -2.470 -4.046) 11.155 7.811 ( -10.097 2.470 -4.046) 11.155 8.166 ( -1.466 -7.089 14.482) 16.190 8.166 ( -1.466 7.089 14.482) 16.190 8.694 ( 11.279 -14.085 -2.964) 18.287 8.694 ( 11.279 14.085 -2.964) 18.287 9.157 ( -2.765 -11.961 3.454) 12.753 9.157 ( -2.765 11.961 3.454) 12.753 9.402 ( 0.769 -11.438 -12.552) 16.999 9.402 ( 0.769 11.438 -12.552) 16.999 9.918 ( -7.344 -3.790 -0.101) 8.265 9.918 ( -7.344 3.790 -0.101) 8.265 10.315 ( 0.868 -4.257 12.139) 12.893 10.315 ( 0.868 4.257 12.139) 12.893 10.998 ( -2.088 -6.528 -9.733) 11.904 10.998 ( -2.088 6.528 -9.733) 11.904 11.157 ( -4.621 -6.218 2.059) 8.015 11.157 ( -4.621 6.218 2.059) 8.015 11.573 ( 12.060 -1.931 3.003) 12.577 11.573 ( 12.060 1.931 3.003) 12.577 11.939 ( -10.703 -8.374 19.867) 24.071 11.939 ( -10.703 8.374 19.867) 24.071 12.603 ( 6.937 -6.153 -3.560) 9.933 12.603 ( 6.937 6.153 -3.560) 9.933 12.954 ( -3.152 -1.223 -0.144) 3.384 12.954 ( -3.152 1.223 -0.144) 3.384 13.185 ( 6.376 -1.981 8.576) 10.869 13.185 ( 6.376 1.981 8.576) 10.869 13.805 ( -1.398 -14.220 -10.041) 17.464 13.805 ( -1.398 14.220 -10.041) 17.464 14.542 ( -2.605 -8.227 -0.937) 8.681 14.542 ( -2.605 8.227 -0.937) 8.681 14.600 ( -1.022 -11.912 4.645) 12.826 14.600 ( -1.022 11.912 4.645) 12.826 14.925 ( -4.757 -1.999 11.167) 12.301 14.925 ( -4.757 1.999 11.167) 12.301 15.651 ( -0.159 -11.688 -20.251) 23.382 15.651 ( -0.159 11.688 -20.251) 23.382 15.999 ( 1.838 -7.060 -0.338) 7.303 15.999 ( 1.838 7.060 -0.338) 7.303 16.141 ( 6.690 -8.284 -7.772) 13.183 16.141 ( 6.690 8.284 -7.772) 13.183 16.669 ( 3.078 -3.525 -5.660) 7.344 16.669 ( 3.078 3.525 -5.660) 7.344 17.710 ( -0.774 -2.238 4.261) 4.875 17.710 ( -0.774 2.238 4.261) 4.875 18.099 ( -14.804 -5.332 -6.456) 17.008 18.099 ( -14.804 5.332 -6.456) 17.008 18.294 ( -0.424 -4.016 5.779) 7.050 18.294 ( -0.424 4.016 5.779) 7.050 18.964 ( 5.600 -5.012 -19.039) 20.468 18.964 ( 5.600 5.012 -19.039) 20.468 20.980 ( -0.224 -3.019 6.989) 7.616 20.980 ( -0.224 3.019 6.989) 7.616 21.010 ( -1.282 -5.359 19.312) 20.083 21.010 ( -1.282 5.359 19.312) 20.083 22.334 ( -7.574 -6.508 -0.664) 10.008 22.334 ( -7.574 6.508 -0.664) 10.008 22.579 ( -0.884 -3.750 2.978) 4.870 22.579 ( -0.884 3.750 2.978) 4.870 23.384 ( 13.493 -7.786 -4.945) 16.344 23.384 ( 13.493 7.786 -4.945) 16.344 25.437 ( -0.521 -7.823 -0.607) 7.863 25.437 ( -0.521 7.823 -0.607) 7.863 27.951 ( -3.414 -5.268 -5.043) 8.052 27.951 ( -3.414 5.268 -5.043) 8.052 ======================= Grid point 74 (31/80) ======================= q-point: ( 0.29 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.435 ( -2.347 -5.537 2.753) 6.614 1.435 ( -2.347 5.537 2.753) 6.614 1.909 ( 0.347 -14.365 9.544) 17.250 1.909 ( 0.347 14.365 9.544) 17.250 2.040 ( 3.706 -11.122 6.944) 13.626 2.040 ( 3.706 11.122 6.944) 13.626 2.699 ( -1.779 -9.318 2.302) 9.762 2.699 ( -1.779 9.318 2.302) 9.762 3.022 ( -0.809 -6.440 -5.164) 8.294 3.022 ( -0.809 6.440 -5.164) 8.294 3.646 ( 2.832 -4.151 -5.252) 7.268 3.646 ( 2.832 4.151 -5.252) 7.268 3.909 ( -0.801 -4.531 0.770) 4.665 3.909 ( -0.801 4.531 0.770) 4.665 5.111 ( 11.031 -1.879 7.505) 13.473 5.111 ( 11.031 1.879 7.505) 13.473 5.251 ( 5.377 -4.256 20.048) 21.189 5.251 ( 5.377 4.256 20.048) 21.189 6.024 ( -6.695 -10.380 -4.491) 13.143 6.024 ( -6.695 10.380 -4.491) 13.143 6.345 ( 9.498 -7.625 4.592) 13.017 6.345 ( 9.498 7.625 4.592) 13.017 6.985 ( -1.736 -13.739 3.905) 14.388 6.985 ( -1.736 13.739 3.905) 14.388 7.662 ( -4.345 -7.539 -6.224) 10.698 7.662 ( -4.345 7.539 -6.224) 10.698 8.130 ( -2.666 -3.829 16.084) 16.747 8.130 ( -2.666 3.829 16.084) 16.747 8.756 ( -4.253 -15.567 -7.139) 17.646 8.756 ( -4.253 15.567 -7.139) 17.646 9.095 ( -6.810 -6.244 5.424) 10.714 9.095 ( -6.810 6.244 5.424) 10.714 9.456 ( 5.048 -16.008 -5.354) 17.618 9.456 ( 5.048 16.008 -5.354) 17.618 9.845 ( 3.926 -1.767 -5.881) 7.288 9.845 ( 3.926 1.767 -5.881) 7.288 10.368 ( 3.881 -6.312 15.314) 17.013 10.368 ( 3.881 6.312 15.314) 17.013 10.919 ( -6.542 -7.589 -14.445) 17.580 10.919 ( -6.542 7.589 -14.445) 17.580 11.098 ( -1.901 -5.859 11.264) 12.838 11.098 ( -1.901 5.859 11.264) 12.838 11.688 ( -14.625 -9.586 19.637) 26.294 11.688 ( -14.625 9.586 19.637) 26.294 11.807 ( 12.006 -1.754 -1.004) 12.175 11.807 ( 12.006 1.754 -1.004) 12.175 12.701 ( 1.468 -5.185 -10.481) 11.786 12.701 ( 1.468 5.185 -10.481) 11.786 12.953 ( 4.045 -2.385 0.833) 4.769 12.953 ( 4.045 2.385 0.833) 4.769 13.293 ( 4.697 -5.082 12.441) 14.236 13.293 ( 4.697 5.082 12.441) 14.236 13.775 ( -1.481 -17.112 -7.308) 18.666 13.775 ( -1.481 17.112 -7.308) 18.666 14.456 ( -6.023 -4.750 5.697) 9.555 14.456 ( -6.023 4.750 5.697) 9.555 14.606 ( 1.794 -10.541 -2.323) 10.942 14.606 ( 1.794 10.541 -2.323) 10.942 14.841 ( -3.807 -1.684 7.953) 8.977 14.841 ( -3.807 1.684 7.953) 8.977 15.647 ( -0.300 -7.360 -23.756) 24.872 15.647 ( -0.300 7.360 -23.756) 24.872 16.006 ( -0.488 -2.821 -1.361) 3.170 16.006 ( -0.488 2.821 -1.361) 3.170 16.305 ( 9.185 -5.068 -7.476) 12.882 16.305 ( 9.185 5.068 -7.476) 12.882 16.746 ( 4.820 -2.854 -3.664) 6.693 16.746 ( 4.820 2.854 -3.664) 6.693 17.691 ( -1.362 -1.496 6.370) 6.684 17.691 ( -1.362 1.496 6.370) 6.684 17.810 ( -14.486 -5.512 -0.834) 15.522 17.810 ( -14.486 5.512 -0.834) 15.522 18.284 ( -0.628 -2.617 6.722) 7.241 18.284 ( -0.628 2.617 6.722) 7.241 19.044 ( 2.739 -4.605 -20.387) 21.079 19.044 ( 2.739 4.605 -20.387) 21.079 20.973 ( -0.580 -3.046 10.569) 11.014 20.973 ( -0.580 3.046 10.569) 11.014 20.984 ( -1.071 -3.540 13.439) 13.938 20.984 ( -1.071 3.540 13.439) 13.938 22.247 ( -1.705 -7.314 -0.532) 7.529 22.247 ( -1.705 7.314 -0.532) 7.529 22.497 ( -6.753 -3.942 3.138) 8.425 22.497 ( -6.753 3.942 3.138) 8.425 23.673 ( 15.344 -8.902 -7.288) 19.178 23.673 ( 15.344 8.902 -7.288) 19.178 25.412 ( -2.204 -6.093 -0.948) 6.548 25.412 ( -2.204 6.093 -0.948) 6.548 27.881 ( -3.521 -4.450 -3.478) 6.656 27.881 ( -3.521 4.450 -3.478) 6.656 ======================= Grid point 76 (32/80) ======================= q-point: ( 0.43 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.408 ( -0.621 -1.694 3.179) 3.655 1.408 ( -0.621 1.694 3.179) 3.655 1.918 ( 0.585 -5.889 12.652) 13.968 1.918 ( 0.585 5.889 12.652) 13.968 2.100 ( 1.888 -3.766 6.220) 7.513 2.100 ( 1.888 3.766 6.220) 7.513 2.642 ( -2.551 -2.785 2.941) 4.786 2.642 ( -2.551 2.785 2.941) 4.786 3.026 ( 0.434 -2.993 -7.257) 7.862 3.026 ( 0.434 2.993 -7.257) 7.862 3.674 ( 0.507 -1.767 -4.846) 5.183 3.674 ( 0.507 1.767 -4.846) 5.183 3.898 ( -0.315 -1.718 -0.263) 1.766 3.898 ( -0.315 1.718 -0.263) 1.766 5.171 ( 0.132 -2.560 28.239) 28.355 5.171 ( 0.132 2.560 28.239) 28.355 5.473 ( 10.564 -3.915 -2.555) 11.552 5.473 ( 10.564 3.915 -2.555) 11.552 5.918 ( -4.132 -6.876 -4.107) 9.012 5.918 ( -4.132 6.876 -4.107) 9.012 6.504 ( 6.336 -2.709 6.353) 9.372 6.504 ( 6.336 2.709 6.353) 9.372 6.904 ( -5.272 -4.985 -2.438) 7.654 6.904 ( -5.272 4.985 -2.438) 7.654 7.670 ( 3.525 -7.824 -2.718) 9.001 7.670 ( 3.525 7.824 -2.718) 9.001 8.057 ( -4.398 -0.790 16.844) 17.426 8.057 ( -4.398 0.790 16.844) 17.426 8.647 ( -4.543 -6.937 -2.624) 8.697 8.647 ( -4.543 6.937 -2.624) 8.697 8.964 ( -4.485 -1.903 3.774) 6.163 8.964 ( -4.485 1.903 3.774) 6.163 9.496 ( 0.076 -2.897 -9.303) 9.744 9.496 ( 0.076 2.897 -9.303) 9.744 10.077 ( 15.869 -7.097 -2.767) 17.603 10.077 ( 15.869 7.097 -2.767) 17.603 10.373 ( -5.744 -3.554 9.740) 11.853 10.373 ( -5.744 3.554 9.740) 11.853 10.828 ( -1.085 -7.916 -2.198) 8.287 10.828 ( -1.085 7.916 -2.198) 8.287 11.053 ( -3.041 -4.426 8.096) 9.715 11.053 ( -3.041 4.426 8.096) 9.715 11.458 ( -7.578 -4.728 19.206) 21.181 11.458 ( -7.578 4.728 19.206) 21.181 11.990 ( 6.056 -1.113 -2.105) 6.508 11.990 ( 6.056 1.113 -2.105) 6.508 12.677 ( -2.006 -1.814 -12.767) 13.050 12.677 ( -2.006 1.814 -12.767) 13.050 13.054 ( 4.276 -1.286 -2.727) 5.232 13.054 ( 4.276 1.286 -2.727) 5.232 13.346 ( 1.020 -3.245 14.847) 15.232 13.346 ( 1.020 3.245 14.847) 15.232 13.760 ( -0.136 -7.798 -4.531) 9.020 13.760 ( -0.136 7.798 -4.531) 9.020 14.357 ( -3.460 -2.723 7.016) 8.283 14.357 ( -3.460 2.723 7.016) 8.283 14.651 ( 2.151 -4.392 -4.435) 6.602 14.651 ( 2.151 4.392 -4.435) 6.602 14.785 ( -2.081 -1.348 7.031) 7.455 14.785 ( -2.081 1.348 7.031) 7.455 15.642 ( -0.232 -2.749 -26.743) 26.885 15.642 ( -0.232 2.749 -26.743) 26.885 15.995 ( -0.386 -0.593 -1.052) 1.268 15.995 ( -0.386 0.593 -1.052) 1.268 16.436 ( 3.987 -1.227 -10.060) 10.890 16.436 ( 3.987 1.227 -10.060) 10.890 16.826 ( 2.980 -0.874 -1.111) 3.298 16.826 ( 2.980 0.874 -1.111) 3.298 17.588 ( -6.493 -2.904 4.487) 8.410 17.588 ( -6.493 2.904 4.487) 8.410 17.685 ( -0.730 -0.951 6.625) 6.732 17.685 ( -0.730 0.951 6.625) 6.732 18.274 ( -0.300 -0.899 7.423) 7.483 18.274 ( -0.300 0.899 7.423) 7.483 19.072 ( 0.545 -1.948 -20.931) 21.029 19.072 ( 0.545 1.948 -20.931) 21.029 20.959 ( -0.516 -0.683 15.683) 15.707 20.959 ( -0.516 0.683 15.683) 15.707 20.975 ( -0.146 -0.430 6.561) 6.577 20.975 ( -0.146 0.430 6.561) 6.577 22.265 ( 3.413 -6.156 0.642) 7.068 22.265 ( 3.413 6.156 0.642) 7.068 22.365 ( -6.624 -4.633 1.674) 8.255 22.365 ( -6.624 4.633 1.674) 8.255 23.890 ( 6.673 -4.025 -8.531) 11.555 23.890 ( 6.673 4.025 -8.531) 11.555 25.370 ( -1.671 -2.483 -0.984) 3.150 25.370 ( -1.671 2.483 -0.984) 3.150 27.834 ( -1.335 -1.751 -2.411) 3.266 27.834 ( -1.335 1.751 -2.411) 3.266 ======================= Grid point 98 (33/80) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.095 ( 0.000 0.000 26.500) 26.500 1.298 ( 0.000 0.000 26.118) 26.118 1.801 ( 0.000 0.000 24.999) 24.999 1.909 ( 0.000 0.000 -5.323) 5.323 1.916 ( 0.000 0.000 23.458) 23.458 2.195 ( 0.000 0.000 4.721) 4.721 2.610 ( 0.000 0.000 -3.995) 3.995 2.709 ( 0.000 0.000 -3.468) 3.468 2.936 ( 0.000 0.000 0.522) 0.522 3.316 ( 0.000 0.000 -5.037) 5.037 3.527 ( 0.000 0.000 -0.522) 0.522 4.034 ( 0.000 0.000 -4.527) 4.527 4.341 ( 0.000 0.000 -6.742) 6.742 4.594 ( 0.000 0.000 1.723) 1.723 4.644 ( 0.000 0.000 -0.413) 0.413 4.873 ( 0.000 0.000 -2.636) 2.636 4.943 ( 0.000 0.000 14.521) 14.521 5.274 ( 0.000 0.000 -6.520) 6.520 5.814 ( 0.000 0.000 38.883) 38.883 6.021 ( 0.000 0.000 25.550) 25.550 6.301 ( 0.000 0.000 -1.264) 1.264 7.066 ( 0.000 0.000 -0.378) 0.378 7.212 ( 0.000 0.000 30.142) 30.142 7.477 ( 0.000 0.000 5.653) 5.653 7.885 ( 0.000 0.000 4.673) 4.673 7.950 ( 0.000 0.000 -5.487) 5.487 8.014 ( 0.000 0.000 -13.683) 13.683 8.253 ( 0.000 0.000 15.616) 15.616 8.261 ( 0.000 0.000 -3.367) 3.367 8.454 ( 0.000 0.000 3.162) 3.162 8.872 ( 0.000 0.000 19.219) 19.219 9.152 ( 0.000 0.000 -5.181) 5.181 9.491 ( 0.000 0.000 -0.592) 0.592 9.622 ( 0.000 0.000 -10.636) 10.636 9.767 ( 0.000 0.000 -4.121) 4.121 9.809 ( 0.000 0.000 -1.853) 1.853 10.651 ( 0.000 0.000 -19.044) 19.044 10.704 ( 0.000 0.000 -3.795) 3.795 10.844 ( 0.000 0.000 -5.723) 5.723 10.901 ( 0.000 0.000 -1.811) 1.811 11.104 ( 0.000 0.000 29.669) 29.669 11.434 ( 0.000 0.000 27.689) 27.689 11.604 ( 0.000 0.000 6.997) 6.997 11.943 ( 0.000 0.000 -13.687) 13.687 11.962 ( 0.000 0.000 24.451) 24.451 12.056 ( 0.000 0.000 28.947) 28.947 12.364 ( 0.000 0.000 -1.160) 1.160 12.565 ( 0.000 0.000 12.012) 12.012 12.884 ( 0.000 0.000 -10.579) 10.579 13.106 ( 0.000 0.000 -0.834) 0.834 13.301 ( 0.000 0.000 18.133) 18.133 13.385 ( 0.000 0.000 -22.799) 22.799 13.595 ( 0.000 0.000 -6.476) 6.476 14.159 ( 0.000 0.000 -18.040) 18.040 14.186 ( 0.000 0.000 -0.827) 0.827 14.261 ( 0.000 0.000 -1.538) 1.538 14.626 ( 0.000 0.000 -11.573) 11.573 14.626 ( 0.000 0.000 13.567) 13.567 15.013 ( 0.000 0.000 16.313) 16.313 15.029 ( 0.000 0.000 -34.958) 34.958 15.053 ( 0.000 0.000 -1.498) 1.498 15.182 ( 0.000 0.000 -4.293) 4.293 15.684 ( 0.000 0.000 -20.038) 20.038 15.814 ( 0.000 0.000 8.399) 8.399 16.025 ( 0.000 0.000 -1.641) 1.641 16.238 ( 0.000 0.000 -10.018) 10.018 16.495 ( 0.000 0.000 -8.607) 8.607 16.827 ( 0.000 0.000 -5.854) 5.854 17.602 ( 0.000 0.000 11.330) 11.330 17.871 ( 0.000 0.000 7.090) 7.090 17.925 ( 0.000 0.000 7.568) 7.568 18.017 ( 0.000 0.000 -15.199) 15.199 18.220 ( 0.000 0.000 3.512) 3.512 18.431 ( 0.000 0.000 -21.835) 21.835 18.533 ( 0.000 0.000 5.530) 5.530 18.838 ( 0.000 0.000 11.995) 11.995 20.884 ( 0.000 0.000 3.565) 3.565 21.096 ( 0.000 0.000 12.371) 12.371 21.317 ( 0.000 0.000 14.114) 14.114 21.730 ( 0.000 0.000 1.664) 1.664 22.280 ( 0.000 0.000 1.314) 1.314 22.519 ( 0.000 0.000 -4.543) 4.543 22.769 ( 0.000 0.000 -11.855) 11.855 22.786 ( 0.000 0.000 -3.160) 3.160 22.822 ( 0.000 0.000 -2.142) 2.142 24.187 ( 0.000 0.000 3.022) 3.022 25.112 ( 0.000 0.000 -0.549) 0.549 25.756 ( 0.000 0.000 -0.947) 0.947 27.573 ( 0.000 0.000 -1.436) 1.436 27.705 ( 0.000 0.000 -3.518) 3.518 ======================= Grid point 99 (34/80) ======================= q-point: ( 0.14 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.258 ( 15.110 0.000 20.660) 25.596 1.401 ( 9.940 0.000 20.544) 22.822 1.821 ( 2.199 0.000 18.528) 18.658 1.918 ( 0.933 0.000 18.286) 18.309 1.974 ( 6.435 0.000 1.881) 6.704 2.289 ( 7.672 0.000 2.923) 8.209 2.605 ( -0.684 0.000 -4.350) 4.403 2.648 ( -5.740 0.000 -2.234) 6.160 2.958 ( 2.380 0.000 0.907) 2.547 3.268 ( -4.615 0.000 -4.547) 6.479 3.579 ( 4.825 0.000 -0.920) 4.912 3.998 ( -3.380 0.000 -4.255) 5.434 4.302 ( -3.643 0.000 -6.419) 7.381 4.552 ( -10.333 0.000 12.691) 16.365 4.664 ( 6.132 0.000 0.757) 6.179 4.849 ( -3.719 0.000 2.011) 4.228 4.982 ( 11.234 0.000 -4.153) 11.977 5.397 ( 9.275 0.000 -3.851) 10.043 5.720 ( -6.798 0.000 38.791) 39.382 6.005 ( -1.079 0.000 25.706) 25.729 6.427 ( 11.716 0.000 3.233) 12.154 6.993 ( -8.351 0.000 1.305) 8.452 7.230 ( 2.114 0.000 26.259) 26.344 7.479 ( 0.883 0.000 7.110) 7.165 7.886 ( -13.275 0.000 -0.517) 13.285 7.958 ( 0.270 0.000 -4.135) 4.143 8.044 ( 13.156 0.000 2.171) 13.333 8.187 ( -1.186 0.000 -12.559) 12.615 8.286 ( -3.202 0.000 16.216) 16.529 8.386 ( -5.655 0.000 5.857) 8.142 8.819 ( -4.554 0.000 17.062) 17.660 9.094 ( -3.924 0.000 -5.020) 6.372 9.398 ( -8.844 0.000 -3.338) 9.453 9.534 ( -13.310 0.000 -3.539) 13.773 9.766 ( 11.595 0.000 -12.386) 16.966 10.041 ( 12.896 0.000 -6.056) 14.247 10.522 ( -8.196 0.000 -5.471) 9.855 10.816 ( 4.628 0.000 -4.981) 6.800 10.825 ( -5.216 0.000 -0.653) 5.257 10.964 ( 9.767 0.000 -1.767) 9.926 11.139 ( 5.051 0.000 13.957) 14.843 11.376 ( -4.355 0.000 11.276) 12.087 11.714 ( 10.188 0.000 11.693) 15.509 11.998 ( 4.103 0.000 24.027) 24.375 12.017 ( 5.429 0.000 -8.128) 9.774 12.090 ( 3.504 0.000 26.589) 26.819 12.482 ( 10.328 0.000 0.408) 10.336 12.518 ( -2.308 0.000 9.370) 9.650 13.029 ( 12.454 0.000 -6.787) 14.183 13.065 ( -3.973 0.000 1.608) 4.286 13.290 ( -1.060 0.000 16.224) 16.259 13.382 ( -0.549 0.000 -20.515) 20.522 13.530 ( -5.911 0.000 -4.862) 7.654 14.001 ( -13.465 0.000 -10.125) 16.847 14.188 ( -3.848 0.000 -2.063) 4.366 14.201 ( -1.201 0.000 -7.797) 7.889 14.664 ( 3.670 0.000 14.328) 14.790 14.671 ( 0.825 0.000 -7.647) 7.691 14.882 ( -4.543 0.000 9.999) 10.982 14.993 ( -4.868 0.000 -19.582) 20.178 15.096 ( -6.159 0.000 -16.144) 17.279 15.276 ( 13.490 0.000 -5.848) 14.703 15.661 ( -4.096 0.000 -10.961) 11.702 15.918 ( 8.231 0.000 3.862) 9.092 15.989 ( -2.755 0.000 -4.211) 5.032 16.220 ( -0.062 0.000 -9.241) 9.241 16.455 ( -2.432 0.000 -11.716) 11.965 16.806 ( -2.035 0.000 -5.278) 5.657 17.650 ( 4.604 0.000 8.665) 9.813 17.884 ( 1.474 0.000 5.990) 6.169 17.923 ( -0.328 0.000 6.798) 6.805 18.029 ( 0.851 0.000 -14.504) 14.529 18.245 ( 2.380 0.000 3.572) 4.293 18.388 ( -3.814 0.000 -13.138) 13.680 18.535 ( -0.428 0.000 -1.805) 1.855 18.823 ( -1.670 0.000 12.082) 12.197 20.892 ( 0.978 0.000 4.233) 4.344 21.104 ( 0.698 0.000 12.507) 12.526 21.317 ( -0.014 0.000 13.738) 13.738 21.774 ( 4.754 0.000 2.665) 5.450 21.987 ( -26.210 0.000 4.909) 26.666 22.382 ( -2.372 0.000 -0.544) 2.433 22.636 ( -7.041 0.000 -6.581) 9.638 22.957 ( 3.201 0.000 7.757) 8.391 23.003 ( 12.010 0.000 -7.252) 14.030 24.065 ( -10.529 0.000 -3.280) 11.028 25.139 ( 3.629 0.000 -1.518) 3.934 25.720 ( -3.657 0.000 -1.192) 3.847 27.601 ( 2.886 0.000 -1.748) 3.374 27.768 ( 4.746 0.000 -6.941) 8.408 ======================= Grid point 100 (35/80) ======================= q-point: ( 0.29 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.562 ( 15.715 0.000 13.213) 20.532 1.611 ( 11.271 0.000 11.511) 16.110 1.875 ( 3.056 0.000 9.622) 10.096 1.942 ( 0.744 0.000 8.346) 8.379 2.123 ( 8.980 0.000 10.158) 13.559 2.410 ( 4.505 0.000 1.404) 4.719 2.532 ( -5.964 0.000 0.574) 5.991 2.579 ( -2.174 0.000 -4.510) 5.006 3.016 ( 3.489 0.000 0.577) 3.537 3.174 ( -4.665 0.000 -3.319) 5.725 3.677 ( 5.171 0.000 -1.956) 5.529 3.923 ( -4.434 0.000 -3.671) 5.757 4.226 ( -4.035 0.000 -5.185) 6.570 4.336 ( -10.604 0.000 15.205) 18.537 4.785 ( 6.334 0.000 0.287) 6.340 4.847 ( 2.304 0.000 -1.627) 2.820 5.248 ( 15.730 0.000 -7.191) 17.296 5.569 ( 9.140 0.000 1.578) 9.275 5.638 ( -1.777 0.000 32.086) 32.135 5.976 ( -2.701 0.000 29.444) 29.568 6.664 ( 11.432 0.000 6.241) 13.025 6.812 ( -9.404 0.000 2.173) 9.651 7.291 ( 3.376 0.000 21.007) 21.277 7.474 ( -2.023 0.000 11.223) 11.404 7.603 ( -13.561 0.000 2.412) 13.773 7.884 ( -8.514 0.000 4.661) 9.706 8.122 ( -5.668 0.000 17.749) 18.632 8.211 ( 0.649 0.000 2.646) 2.725 8.258 ( 2.680 0.000 -9.599) 9.966 8.423 ( 13.299 0.000 2.565) 13.544 8.703 ( -8.407 0.000 9.982) 13.051 9.047 ( -2.177 0.000 -2.473) 3.295 9.219 ( -8.617 0.000 -4.997) 9.961 9.298 ( -11.479 0.000 -6.805) 13.344 9.954 ( 8.016 0.000 -7.749) 11.149 10.263 ( 10.925 0.000 -7.840) 13.447 10.359 ( -8.919 0.000 2.468) 9.255 10.722 ( -5.515 0.000 -2.067) 5.889 10.864 ( 1.834 0.000 -2.206) 2.869 11.110 ( 1.238 0.000 2.676) 2.948 11.270 ( 7.256 0.000 0.813) 7.302 11.337 ( 2.186 0.000 -0.701) 2.296 11.907 ( 8.927 0.000 14.631) 17.139 12.089 ( 2.166 0.000 1.604) 2.695 12.126 ( 9.258 0.000 20.451) 22.449 12.209 ( 9.195 0.000 15.604) 18.112 12.537 ( 4.846 0.000 12.434) 13.345 12.633 ( 4.754 0.000 0.440) 4.774 12.977 ( -4.872 0.000 6.111) 7.815 13.242 ( 4.842 0.000 4.082) 6.334 13.282 ( 3.538 0.000 1.477) 3.834 13.349 ( -2.873 0.000 -13.908) 14.201 13.467 ( 0.268 0.000 -0.273) 0.382 13.687 ( -18.850 0.000 -8.656) 20.742 14.155 ( -0.421 0.000 -2.649) 2.682 14.163 ( -2.088 0.000 -5.943) 6.299 14.643 ( -1.673 0.000 -5.978) 6.208 14.727 ( 0.807 0.000 16.426) 16.446 14.839 ( -1.726 0.000 3.698) 4.081 14.896 ( -1.044 0.000 -1.394) 1.742 14.994 ( -5.932 0.000 -29.660) 30.247 15.444 ( -3.411 0.000 12.625) 13.077 15.538 ( -0.490 0.000 -27.061) 27.066 15.880 ( -6.131 0.000 -11.672) 13.185 16.108 ( 8.491 0.000 -3.060) 9.026 16.255 ( 1.746 0.000 -11.178) 11.314 16.482 ( 6.603 0.000 -12.361) 14.014 16.762 ( -2.333 0.000 -3.878) 4.526 17.749 ( 5.501 0.000 4.832) 7.321 17.911 ( -0.991 0.000 5.312) 5.404 17.936 ( 4.429 0.000 4.250) 6.138 18.045 ( 1.244 0.000 -13.888) 13.943 18.249 ( -3.964 0.000 2.201) 4.534 18.342 ( -0.531 0.000 -12.302) 12.314 18.514 ( -0.729 0.000 1.862) 1.999 18.773 ( -3.841 0.000 12.518) 13.095 20.923 ( 2.501 0.000 6.041) 6.539 21.112 ( -0.296 0.000 12.732) 12.735 21.316 ( -0.112 0.000 12.885) 12.886 21.568 ( -17.097 0.000 10.183) 19.899 21.909 ( 9.756 0.000 5.374) 11.138 22.357 ( -1.055 0.000 -0.008) 1.055 22.529 ( -4.401 0.000 -5.097) 6.734 22.839 ( -13.457 0.000 17.033) 21.708 23.239 ( 12.980 0.000 -8.188) 15.347 23.873 ( -9.688 0.000 -10.361) 14.185 25.246 ( 7.187 0.000 -3.821) 8.140 25.630 ( -5.748 0.000 -1.978) 6.079 27.671 ( 4.294 0.000 -2.649) 5.046 27.826 ( 1.048 0.000 -7.954) 8.023 ======================= Grid point 101 (36/80) ======================= q-point: ( 0.43 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.791 ( 7.615 0.000 8.312) 11.272 1.797 ( 8.536 0.000 10.855) 13.809 1.905 ( -0.549 0.000 3.753) 3.793 1.919 ( -3.202 0.000 1.479) 3.527 2.286 ( 8.019 0.000 9.382) 12.342 2.411 ( -5.209 0.000 1.487) 5.417 2.482 ( 1.695 0.000 2.854) 3.320 2.528 ( -2.963 0.000 -2.589) 3.935 3.073 ( 2.408 0.000 -0.417) 2.444 3.111 ( -2.210 0.000 -1.665) 2.768 3.762 ( 4.087 0.000 -2.595) 4.841 3.840 ( -4.390 0.000 -2.938) 5.282 4.171 ( -1.378 0.000 -1.295) 1.891 4.194 ( -4.353 0.000 6.491) 7.815 4.880 ( 3.341 0.000 0.214) 3.348 4.895 ( 1.681 0.000 -0.015) 1.681 5.507 ( 10.668 0.000 -1.263) 10.743 5.618 ( -1.859 0.000 21.017) 21.099 5.741 ( 9.031 0.000 7.990) 12.058 5.890 ( -6.582 0.000 25.202) 26.048 6.696 ( -1.621 0.000 1.053) 1.933 6.747 ( -3.332 0.000 1.897) 3.834 7.315 ( 2.815 0.000 21.777) 21.958 7.407 ( -4.936 0.000 17.061) 17.761 7.541 ( 5.179 0.000 7.347) 8.989 7.692 ( -10.363 0.000 11.213) 15.268 8.094 ( 3.188 0.000 23.584) 23.799 8.178 ( -3.788 0.000 12.348) 12.916 8.346 ( 6.692 0.000 -13.804) 15.341 8.513 ( -10.788 0.000 -3.449) 11.326 8.701 ( 14.334 0.000 -3.223) 14.692 8.937 ( -10.401 0.000 -1.932) 10.579 9.126 ( -1.157 0.000 -2.951) 3.170 9.153 ( -3.760 0.000 -6.047) 7.120 10.078 ( 6.026 0.000 -0.102) 6.027 10.200 ( -7.503 0.000 4.837) 8.927 10.456 ( 9.471 0.000 -8.939) 13.023 10.610 ( -6.930 0.000 -6.596) 9.567 10.916 ( 4.259 0.000 -3.065) 5.247 11.026 ( -6.945 0.000 -0.655) 6.976 11.374 ( 3.619 0.000 1.020) 3.760 11.396 ( 1.505 0.000 2.156) 2.630 12.037 ( 5.324 0.000 12.868) 13.926 12.101 ( -1.296 0.000 6.705) 6.829 12.281 ( 6.125 0.000 13.416) 14.748 12.336 ( 1.373 0.000 13.023) 13.095 12.690 ( 10.294 0.000 18.054) 20.782 12.772 ( 12.806 0.000 -1.847) 12.938 12.880 ( -4.799 0.000 14.436) 15.213 13.157 ( -18.976 0.000 -2.404) 19.128 13.269 ( -0.439 0.000 3.104) 3.135 13.300 ( -2.480 0.000 -7.833) 8.217 13.495 ( 1.655 0.000 -2.418) 2.930 13.502 ( 0.466 0.000 -10.592) 10.602 14.144 ( 0.175 0.000 0.010) 0.176 14.152 ( -0.228 0.000 0.347) 0.415 14.655 ( 2.746 0.000 -8.515) 8.947 14.694 ( -1.735 0.000 4.775) 5.080 14.800 ( -1.299 0.000 -4.344) 4.534 14.859 ( -6.915 0.000 -22.101) 23.158 15.009 ( 9.847 0.000 9.271) 13.524 15.227 ( -13.024 0.000 15.111) 19.949 15.640 ( 6.328 0.000 -28.649) 29.339 15.760 ( -6.551 0.000 -21.551) 22.525 16.224 ( 3.852 0.000 -8.968) 9.760 16.262 ( -0.655 0.000 -12.520) 12.537 16.633 ( 7.095 0.000 -6.251) 9.456 16.719 ( -2.741 0.000 -3.267) 4.264 17.836 ( 3.587 0.000 3.312) 4.882 17.885 ( -1.854 0.000 3.987) 4.397 18.040 ( 5.765 0.000 5.536) 7.993 18.107 ( 6.592 0.000 -18.961) 20.074 18.147 ( -5.959 0.000 3.569) 6.945 18.262 ( -8.017 0.000 -21.048) 22.523 18.567 ( 5.723 0.000 12.941) 14.150 18.681 ( -5.896 0.000 13.219) 14.474 20.988 ( 4.388 0.000 8.691) 9.735 21.074 ( -3.998 0.000 11.673) 12.339 21.317 ( 0.561 0.000 11.923) 11.936 21.362 ( -5.501 0.000 10.905) 12.214 22.128 ( 13.017 0.000 8.717) 15.666 22.317 ( -4.917 0.000 3.902) 6.277 22.478 ( -0.576 0.000 -2.952) 3.008 22.568 ( -12.098 0.000 8.673) 14.886 23.476 ( 12.255 0.000 -8.794) 15.084 23.688 ( -10.559 0.000 -9.899) 14.473 25.384 ( 7.326 0.000 -4.218) 8.454 25.514 ( -6.622 0.000 -3.197) 7.353 27.751 ( 4.018 0.000 -4.125) 5.759 27.812 ( -2.297 0.000 -6.125) 6.541 ======================= Grid point 105 (37/80) ======================= q-point: ( 0.00 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 0.000 11.695 20.465) 23.571 1.320 ( 0.000 5.076 25.708) 26.204 1.772 ( 0.000 -3.199 -3.723) 4.908 1.794 ( 0.000 -0.561 21.529) 21.537 2.190 ( 0.000 14.078 13.741) 19.673 2.203 ( 0.000 0.656 6.084) 6.120 2.510 ( 0.000 -8.947 -1.021) 9.005 2.855 ( 0.000 12.720 -3.958) 13.321 2.975 ( 0.000 3.150 -1.849) 3.652 3.235 ( 0.000 -6.776 -2.597) 7.257 3.479 ( 0.000 -6.241 -2.443) 6.703 3.886 ( 0.000 -11.864 -2.677) 12.162 4.240 ( 0.000 -8.037 -6.996) 10.655 4.417 ( 0.000 -17.828 13.477) 22.349 4.724 ( 0.000 4.522 -1.073) 4.647 4.755 ( 0.000 -1.762 2.405) 2.981 5.180 ( 0.000 17.514 -4.895) 18.185 5.410 ( 0.000 13.252 -6.735) 14.866 5.751 ( 0.000 -1.463 42.930) 42.955 6.068 ( 0.000 4.403 23.087) 23.503 6.285 ( 0.000 -1.400 3.968) 4.208 6.831 ( 0.000 -16.454 15.349) 22.501 7.248 ( 0.000 0.025 8.063) 8.063 7.631 ( 0.000 10.637 6.816) 12.633 7.645 ( 0.000 -16.031 0.166) 16.031 8.030 ( 0.000 5.691 -2.688) 6.294 8.174 ( 0.000 -0.848 1.985) 2.159 8.259 ( 0.000 1.480 16.522) 16.588 8.281 ( 0.000 6.785 -9.204) 11.435 8.524 ( 0.000 9.156 2.423) 9.471 8.846 ( 0.000 -4.260 20.601) 21.037 9.159 ( 0.000 6.373 -4.868) 8.019 9.526 ( 0.000 -8.360 -9.056) 12.324 9.606 ( 0.000 7.292 -6.664) 9.878 9.851 ( 0.000 3.364 -1.720) 3.778 9.938 ( 0.000 5.083 -6.254) 8.059 10.514 ( 0.000 -6.025 -15.744) 16.857 10.723 ( 0.000 0.419 -2.613) 2.647 10.810 ( 0.000 -5.258 10.494) 11.738 10.874 ( 0.000 2.761 -5.082) 5.784 11.105 ( 0.000 -16.169 10.246) 19.142 11.216 ( 0.000 4.510 7.794) 9.005 11.798 ( 0.000 -7.365 12.365) 14.392 11.858 ( 0.000 6.963 27.016) 27.899 12.047 ( 0.000 2.667 8.497) 8.906 12.170 ( 0.000 13.392 22.515) 26.197 12.432 ( 0.000 2.520 -6.276) 6.763 12.508 ( 0.000 -4.505 6.537) 7.939 12.700 ( 0.000 -1.657 -12.250) 12.362 13.142 ( 0.000 2.543 2.973) 3.912 13.343 ( 0.000 4.776 16.216) 16.904 13.506 ( 0.000 -8.025 -5.668) 9.825 13.581 ( 0.000 6.724 -9.043) 11.269 13.936 ( 0.000 -16.532 -16.377) 23.270 14.113 ( 0.000 2.023 -3.520) 4.060 14.422 ( 0.000 -6.458 5.244) 8.319 14.603 ( 0.000 16.405 -2.358) 16.573 14.803 ( 0.000 10.600 -5.770) 12.068 14.971 ( 0.000 -0.716 3.094) 3.176 15.048 ( 0.000 0.830 -26.308) 26.322 15.197 ( 0.000 2.833 4.014) 4.914 15.325 ( 0.000 17.472 -2.494) 17.649 15.659 ( 0.000 -16.419 5.734) 17.391 15.744 ( 0.000 4.823 -21.450) 21.985 16.042 ( 0.000 2.817 -1.291) 3.099 16.230 ( 0.000 -1.129 -10.193) 10.255 16.496 ( 0.000 -0.955 -6.056) 6.131 16.749 ( 0.000 -6.762 -6.857) 9.630 17.642 ( 0.000 3.366 7.446) 8.171 17.887 ( 0.000 1.501 -1.597) 2.191 17.888 ( 0.000 -3.295 1.614) 3.669 18.028 ( 0.000 1.092 -9.091) 9.157 18.213 ( 0.000 -0.438 1.572) 1.632 18.425 ( 0.000 -0.737 -19.265) 19.279 18.564 ( 0.000 2.839 3.589) 4.576 18.822 ( 0.000 -1.537 10.757) 10.866 20.934 ( 0.000 4.354 4.194) 6.045 21.119 ( 0.000 2.024 11.836) 12.008 21.305 ( 0.000 -0.956 14.445) 14.477 21.685 ( 0.000 -4.353 5.465) 6.987 22.324 ( 0.000 4.154 2.189) 4.696 22.480 ( 0.000 -3.249 -4.313) 5.399 22.636 ( 0.000 -6.669 -6.885) 9.585 22.805 ( 0.000 -1.836 -0.335) 1.866 22.916 ( 0.000 6.508 -7.344) 9.813 23.865 ( 0.000 -23.740 12.107) 26.649 25.155 ( 0.000 4.094 -0.534) 4.129 25.711 ( 0.000 -4.271 -0.876) 4.360 27.723 ( 0.000 9.809 -8.601) 13.046 27.729 ( 0.000 2.253 -3.916) 4.518 ======================= Grid point 106 (38/80) ======================= q-point: ( 0.14 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.296 ( 8.363 2.329 22.764) 24.363 1.468 ( 12.747 9.104 15.879) 22.305 1.794 ( 1.899 -3.180 4.711) 5.993 1.817 ( 2.387 -0.705 16.686) 16.871 2.150 ( 1.219 6.582 7.512) 10.061 2.333 ( 7.383 5.419 5.288) 10.575 2.517 ( 0.337 -8.082 -1.616) 8.249 2.773 ( -7.651 10.473 -2.784) 13.265 2.977 ( 0.542 1.445 -0.587) 1.651 3.205 ( -3.047 -5.230 -2.668) 6.615 3.537 ( 5.166 -5.012 -2.758) 7.708 3.872 ( -1.463 -10.432 -2.724) 10.881 4.206 ( -3.226 -7.720 -5.927) 10.253 4.321 ( -8.145 -16.242 13.522) 22.650 4.768 ( 5.551 6.072 -1.299) 8.329 4.892 ( 11.306 -0.070 -0.630) 11.324 5.155 ( -0.793 17.223 -5.676) 18.152 5.485 ( 6.447 10.034 -5.748) 13.239 5.709 ( -3.284 1.169 42.659) 42.801 6.032 ( -2.268 2.284 24.509) 24.719 6.416 ( 11.573 -0.942 5.492) 12.844 6.883 ( 4.070 -12.250 13.448) 18.641 7.147 ( -7.100 -2.793 11.728) 13.991 7.567 ( -6.329 0.704 4.716) 7.924 7.693 ( -3.352 -7.399 3.344) 8.784 7.889 ( -6.703 -7.560 -2.019) 10.303 8.155 ( 0.098 5.711 1.330) 5.865 8.280 ( -0.169 3.689 8.836) 9.577 8.359 ( 6.702 12.571 -2.713) 14.502 8.546 ( 0.694 11.110 5.173) 12.275 8.804 ( -3.643 -2.374 17.942) 18.461 9.102 ( -3.099 4.279 -4.926) 7.224 9.466 ( -14.820 8.176 -5.152) 17.692 9.588 ( -6.301 -5.666 -7.302) 11.186 9.754 ( 7.542 -0.444 -6.351) 9.870 10.050 ( 6.084 2.000 -3.529) 7.312 10.478 ( -2.210 -5.627 -13.268) 14.581 10.646 ( -5.843 -5.313 8.435) 11.555 10.858 ( 1.911 -1.469 -9.423) 9.726 10.992 ( 8.526 1.791 -0.259) 8.716 11.186 ( 6.467 -9.273 21.235) 24.056 11.269 ( 6.387 2.257 -0.595) 6.800 11.676 ( -4.544 -2.537 7.110) 8.811 11.963 ( 4.570 -0.617 23.561) 24.008 12.046 ( 0.676 -1.393 15.792) 15.867 12.243 ( 5.186 11.319 14.795) 19.336 12.413 ( 0.895 -2.604 -0.138) 2.757 12.625 ( 9.785 8.365 1.368) 12.945 12.776 ( 6.938 -9.931 -11.272) 16.548 13.111 ( -2.629 3.069 7.805) 8.789 13.293 ( -5.063 -1.148 10.806) 11.989 13.480 ( -1.569 0.026 -1.109) 1.921 13.594 ( 0.194 4.481 -9.593) 10.590 13.835 ( -8.081 -11.045 -11.591) 17.934 14.179 ( 4.342 2.883 -7.417) 9.065 14.438 ( 0.719 -2.398 0.855) 2.646 14.470 ( -8.815 10.069 1.015) 13.421 14.838 ( 0.160 2.452 -0.959) 2.638 14.880 ( -6.002 4.436 4.723) 8.832 15.038 ( -0.567 2.553 -30.438) 30.550 15.125 ( -6.886 4.371 -1.083) 8.227 15.437 ( 5.930 8.204 4.516) 11.084 15.619 ( -4.318 -5.067 -8.679) 10.938 15.829 ( 8.347 -2.342 -11.506) 14.407 16.027 ( -0.610 2.962 -2.487) 3.915 16.227 ( 0.933 -0.458 -8.569) 8.631 16.482 ( -0.465 1.410 -8.269) 8.401 16.752 ( 0.072 -4.900 -6.148) 7.862 17.675 ( 3.248 2.207 6.719) 7.782 17.871 ( -1.030 -0.525 2.698) 2.935 17.890 ( 0.164 -3.231 0.917) 3.362 18.023 ( -0.965 -0.331 -8.887) 8.945 18.252 ( 3.848 0.349 0.183) 3.868 18.414 ( -1.363 1.553 -16.901) 17.027 18.543 ( -2.148 1.447 1.397) 2.943 18.811 ( -1.292 -1.169 9.930) 10.082 20.940 ( 0.656 4.137 4.784) 6.358 21.122 ( 0.303 1.643 11.915) 12.032 21.305 ( 0.033 -0.950 14.133) 14.165 21.681 ( -2.312 -7.018 8.408) 11.194 22.066 ( -17.301 5.703 1.161) 18.253 22.402 ( -2.296 1.467 -0.968) 2.891 22.600 ( -5.335 -2.849 -4.775) 7.706 22.910 ( 4.180 -3.588 6.737) 8.703 23.047 ( 9.204 3.252 -5.582) 11.245 23.842 ( -1.553 -17.659 -0.161) 17.727 25.171 ( 2.208 3.351 -1.033) 4.144 25.682 ( -3.124 -3.749 -1.296) 5.049 27.669 ( -0.926 4.714 -3.312) 5.835 27.811 ( 3.416 3.435 -8.654) 9.918 ======================= Grid point 107 (39/80) ======================= q-point: ( 0.29 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.510 ( 13.002 -3.698 15.860) 20.840 1.717 ( 12.614 7.191 7.547) 16.364 1.831 ( 1.778 -3.399 10.319) 11.009 1.877 ( 4.043 -0.119 14.267) 14.829 2.206 ( 3.417 3.490 5.198) 7.133 2.428 ( 1.172 2.435 0.824) 2.825 2.501 ( -1.578 -5.909 -2.828) 6.738 2.630 ( -6.209 6.823 -1.050) 9.285 3.000 ( 1.911 -1.700 0.547) 2.615 3.139 ( -3.464 -2.784 -2.380) 5.041 3.636 ( 4.906 -4.408 -3.058) 7.270 3.835 ( -2.427 -7.394 -2.749) 8.253 4.137 ( -3.693 -7.594 -2.056) 8.691 4.180 ( -6.194 -11.282 7.288) 14.791 4.894 ( 7.273 8.268 -1.776) 11.154 5.045 ( 2.592 13.476 -2.948) 14.036 5.263 ( 13.721 3.220 -5.961) 15.302 5.610 ( 6.313 5.177 -6.503) 10.438 5.670 ( -0.211 4.127 41.803) 42.007 5.990 ( -2.834 1.072 29.219) 29.376 6.642 ( 10.915 -2.240 3.980) 11.832 6.868 ( -5.948 4.026 5.843) 9.258 7.129 ( 3.717 -15.000 21.388) 26.386 7.390 ( -10.445 -6.944 6.275) 14.025 7.481 ( -10.913 -4.802 3.504) 12.427 7.874 ( -1.042 -2.978 2.609) 4.094 8.172 ( 1.207 2.542 -0.739) 2.909 8.268 ( -1.460 6.491 18.728) 19.874 8.469 ( 2.709 14.907 -6.635) 16.541 8.558 ( 4.523 12.385 7.453) 15.146 8.726 ( -4.749 1.614 10.211) 11.377 9.052 ( -6.418 3.373 -3.496) 8.049 9.193 ( -8.617 -0.526 -6.665) 10.906 9.412 ( -9.572 4.367 -5.289) 11.776 9.941 ( 9.020 -1.576 -3.744) 9.892 10.172 ( 6.954 -5.691 -4.633) 10.110 10.405 ( -5.931 2.387 -3.410) 7.245 10.581 ( -2.394 -8.501 -1.068) 8.896 10.835 ( -1.011 -4.241 -2.642) 5.098 11.107 ( 1.740 -1.149 5.510) 5.891 11.323 ( 6.604 0.093 7.708) 10.151 11.391 ( 6.752 5.098 -0.574) 8.480 11.700 ( 6.538 -11.753 4.529) 14.191 12.022 ( 1.957 -4.251 19.180) 19.742 12.073 ( 2.343 -4.370 15.185) 15.974 12.294 ( 0.216 1.145 11.686) 11.744 12.497 ( 6.669 0.004 4.840) 8.240 12.786 ( 5.695 10.989 -0.507) 12.388 12.885 ( 2.523 -7.397 -3.315) 8.490 13.122 ( 5.489 -1.207 8.930) 10.552 13.179 ( -5.605 -10.476 3.603) 12.415 13.450 ( -2.594 3.901 1.289) 4.859 13.567 ( -3.188 6.154 -6.310) 9.373 13.694 ( -4.998 1.398 -10.881) 12.056 14.233 ( 0.677 5.649 -3.542) 6.702 14.309 ( -6.142 11.899 -4.309) 14.067 14.493 ( 3.683 -6.684 5.222) 9.247 14.782 ( -2.417 -3.247 5.027) 6.455 14.810 ( -3.815 3.557 -3.178) 6.108 14.990 ( -6.199 -0.393 -26.354) 27.076 15.025 ( -2.071 9.614 -4.456) 10.797 15.341 ( -11.638 -10.942 7.537) 17.663 15.641 ( 4.634 9.950 -20.029) 22.840 15.933 ( -1.078 4.226 -9.172) 10.156 16.069 ( 6.729 -2.030 -6.769) 9.758 16.278 ( 2.869 -0.048 -6.625) 7.220 16.527 ( 6.016 3.957 -9.598) 11.999 16.748 ( -0.497 -1.472 -4.534) 4.793 17.749 ( 4.271 0.066 4.815) 6.437 17.867 ( 0.678 -3.938 7.209) 8.243 17.890 ( -0.189 -3.455 -0.238) 3.469 17.993 ( -1.899 -3.562 -4.850) 6.310 18.333 ( 3.673 2.440 -7.456) 8.662 18.371 ( -3.013 5.673 -12.019) 13.627 18.498 ( -1.491 -1.171 2.380) 3.043 18.768 ( -3.611 -0.550 8.287) 9.056 20.963 ( 1.938 3.486 6.364) 7.510 21.123 ( -0.546 1.004 12.049) 12.103 21.305 ( -0.062 -0.951 13.358) 13.392 21.515 ( -12.245 -4.334 12.124) 17.768 21.974 ( 5.411 5.332 3.210) 8.247 22.367 ( -1.558 0.431 -0.690) 1.758 22.506 ( -4.387 -1.650 -3.143) 5.644 22.804 ( -12.886 -3.294 15.791) 20.646 23.266 ( 13.324 2.761 -8.377) 15.979 23.808 ( -3.091 -5.965 -10.945) 12.843 25.245 ( 5.460 0.490 -2.650) 6.089 25.599 ( -5.616 -3.098 -2.035) 6.729 27.688 ( 2.606 1.702 -2.710) 4.127 27.839 ( -0.260 0.804 -7.823) 7.868 ======================= Grid point 108 (40/80) ======================= q-point: ( 0.43 0.17 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.724 ( 8.881 -3.493 8.746) 12.945 1.825 ( -2.094 -4.496 6.072) 7.840 1.911 ( 6.791 4.313 8.983) 12.059 1.954 ( 2.567 1.724 10.363) 10.814 2.255 ( 2.509 -0.260 7.776) 8.175 2.342 ( -6.767 -2.540 4.495) 8.512 2.515 ( 1.718 0.156 -3.271) 3.698 2.554 ( -2.683 2.142 -3.713) 5.057 3.042 ( 2.389 -2.958 -0.048) 3.802 3.085 ( -2.420 -2.386 -1.563) 3.741 3.715 ( 3.781 -4.416 -2.839) 6.470 3.781 ( -3.323 -5.017 -2.642) 6.572 4.087 ( -1.249 -7.233 0.478) 7.356 4.099 ( -2.509 -7.603 0.922) 8.059 5.013 ( 4.823 10.934 -2.044) 12.124 5.060 ( -0.481 13.687 -2.351) 13.896 5.526 ( 11.672 1.924 -1.783) 11.964 5.644 ( -1.748 2.681 13.272) 13.652 5.757 ( 7.526 2.621 17.931) 19.622 5.902 ( -6.920 1.235 26.016) 26.949 6.739 ( -0.452 2.684 -0.277) 2.736 6.769 ( -3.726 1.971 2.796) 5.058 7.117 ( 1.688 -15.254 17.066) 22.952 7.239 ( -8.996 -11.705 12.984) 19.660 7.518 ( 13.336 -1.444 10.638) 17.120 7.768 ( -10.830 1.854 7.944) 13.558 8.193 ( 1.722 6.755 17.068) 18.437 8.234 ( -2.070 7.565 18.535) 20.126 8.521 ( 4.907 11.767 -7.234) 14.659 8.632 ( -5.653 9.673 -1.650) 11.324 8.687 ( 7.232 1.570 -1.215) 7.500 8.845 ( -10.856 -5.988 -4.711) 13.263 9.179 ( 2.866 5.000 -3.827) 6.918 9.264 ( -6.211 7.567 -4.235) 10.666 10.093 ( 7.919 0.749 1.900) 8.178 10.234 ( -5.523 -0.916 3.799) 6.766 10.346 ( 5.402 -5.180 -7.130) 10.337 10.486 ( -7.425 -9.623 -4.381) 12.920 10.901 ( 7.136 -1.246 -2.618) 7.703 11.045 ( -6.976 1.277 0.731) 7.129 11.424 ( 4.427 2.937 3.863) 6.568 11.470 ( 0.359 5.529 4.254) 6.986 11.869 ( 9.728 -14.756 6.660) 18.887 12.002 ( -4.158 -8.750 12.106) 15.505 12.169 ( 7.010 -7.419 15.809) 18.818 12.269 ( -2.978 -5.084 14.190) 15.365 12.601 ( 5.485 -4.246 6.798) 9.713 12.749 ( -8.851 -10.607 7.717) 15.824 12.970 ( 7.239 11.649 -1.948) 13.853 13.073 ( -3.868 -3.321 -4.203) 6.607 13.266 ( 4.878 -4.527 1.756) 6.882 13.354 ( -5.962 4.828 4.427) 8.857 13.569 ( 4.381 9.046 -4.526) 11.023 13.647 ( -2.405 8.188 -9.402) 12.697 14.201 ( -1.583 5.044 -0.281) 5.294 14.226 ( -3.629 7.601 -1.022) 8.485 14.609 ( 8.597 -1.685 2.938) 9.240 14.746 ( -4.101 -0.131 6.823) 7.962 14.760 ( 0.385 -0.839 -5.110) 5.192 14.844 ( -8.580 -1.452 -15.923) 18.146 15.031 ( 3.610 2.308 -9.269) 10.211 15.148 ( -8.413 -5.933 -4.652) 11.297 15.736 ( 5.716 8.006 -17.868) 20.396 15.850 ( -6.068 7.044 -12.756) 15.785 16.201 ( 6.255 -1.479 -9.867) 11.775 16.284 ( -2.285 0.272 -8.828) 9.123 16.660 ( 6.288 2.920 -5.421) 8.800 16.731 ( -1.696 1.250 -3.488) 4.075 17.820 ( 3.139 -1.441 3.345) 4.808 17.864 ( -1.529 -1.773 4.776) 5.319 17.913 ( 2.746 -8.882 2.139) 9.539 17.959 ( -1.921 -7.592 0.932) 7.887 18.322 ( -1.438 8.312 -12.258) 14.880 18.335 ( -2.230 5.314 -17.619) 18.538 18.550 ( 6.284 -1.439 9.617) 11.578 18.674 ( -6.270 -0.579 8.129) 10.283 21.015 ( 3.666 2.453 8.669) 9.726 21.087 ( -3.432 1.260 11.181) 11.763 21.307 ( 0.592 -0.953 12.427) 12.477 21.349 ( -4.907 -1.247 11.728) 12.774 22.147 ( 11.573 1.824 7.152) 13.727 22.323 ( -4.907 0.595 3.228) 5.904 22.452 ( -0.366 -2.337 -1.802) 2.974 22.547 ( -11.580 -1.992 7.647) 14.019 23.509 ( 12.203 3.150 -9.386) 15.714 23.703 ( -8.242 1.117 -10.780) 13.616 25.360 ( 6.617 -1.959 -3.428) 7.705 25.484 ( -6.540 -2.822 -2.920) 7.698 27.749 ( 3.556 -0.003 -3.736) 5.158 27.810 ( -2.678 -0.302 -5.640) 6.251 ======================= Grid point 112 (41/80) ======================= q-point: ( 0.00 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.489 ( 0.000 11.308 12.128) 16.582 1.533 ( 0.000 11.396 8.616) 14.286 1.777 ( 0.000 5.869 1.189) 5.988 1.802 ( 0.000 2.636 10.436) 10.764 2.208 ( 0.000 -0.947 8.860) 8.911 2.278 ( 0.000 -12.556 -1.860) 12.693 2.446 ( 0.000 10.741 14.267) 17.858 3.031 ( 0.000 -15.194 -0.596) 15.206 3.051 ( 0.000 4.378 -2.349) 4.968 3.143 ( 0.000 13.766 -5.842) 14.954 3.281 ( 0.000 -9.490 -0.564) 9.507 3.640 ( 0.000 -11.690 -4.404) 12.492 4.075 ( 0.000 -7.017 -3.772) 7.967 4.088 ( 0.000 -11.148 10.754) 15.490 4.753 ( 0.000 0.526 0.068) 0.530 4.771 ( 0.000 0.451 -1.208) 1.290 5.598 ( 0.000 20.604 -0.173) 20.604 5.743 ( 0.000 15.618 -3.878) 16.092 5.822 ( 0.000 8.422 34.854) 35.858 6.194 ( 0.000 7.561 17.877) 19.410 6.253 ( 0.000 -1.550 13.231) 13.321 6.492 ( 0.000 -15.469 18.470) 24.092 7.147 ( 0.000 -9.616 2.545) 9.947 7.282 ( 0.000 -18.220 4.126) 18.682 7.793 ( 0.000 4.099 -0.022) 4.099 8.010 ( 0.000 -8.973 -4.018) 9.832 8.220 ( 0.000 16.076 2.947) 16.344 8.347 ( 0.000 6.876 18.626) 19.855 8.521 ( 0.000 11.617 -0.362) 11.623 8.712 ( 0.000 -7.930 20.109) 21.616 8.839 ( 0.000 19.059 0.684) 19.072 9.293 ( 0.000 2.794 0.691) 2.878 9.315 ( 0.000 -11.266 -7.831) 13.720 9.479 ( 0.000 -22.076 -10.610) 24.494 9.929 ( 0.000 4.029 -1.394) 4.263 9.949 ( 0.000 4.322 -3.847) 5.787 10.511 ( 0.000 -1.559 -9.807) 9.930 10.620 ( 0.000 -9.529 7.756) 12.286 10.757 ( 0.000 1.499 4.971) 5.192 10.915 ( 0.000 -3.989 -9.428) 10.238 10.958 ( 0.000 5.407 -4.142) 6.811 11.195 ( 0.000 -4.927 -6.461) 8.126 11.757 ( 0.000 2.759 25.292) 25.442 11.888 ( 0.000 -1.401 30.686) 30.718 12.106 ( 0.000 7.528 7.908) 10.918 12.432 ( 0.000 -1.406 0.067) 1.408 12.438 ( 0.000 0.656 -11.208) 11.227 12.466 ( 0.000 9.438 18.647) 20.900 12.874 ( 0.000 9.359 -4.352) 10.322 13.120 ( 0.000 -8.566 0.594) 8.586 13.336 ( 0.000 -3.738 6.363) 7.380 13.470 ( 0.000 0.873 11.458) 11.491 13.585 ( 0.000 1.278 7.924) 8.026 13.662 ( 0.000 -7.155 -14.382) 16.064 14.166 ( 0.000 6.995 -3.638) 7.885 14.490 ( 0.000 9.753 -1.838) 9.925 14.801 ( 0.000 -7.031 2.552) 7.480 14.905 ( 0.000 11.713 -13.896) 18.174 15.037 ( 0.000 -2.626 -18.349) 18.536 15.139 ( 0.000 4.441 -13.935) 14.625 15.236 ( 0.000 -15.578 8.602) 17.795 15.272 ( 0.000 4.746 9.254) 10.400 15.675 ( 0.000 15.024 -1.883) 15.141 15.840 ( 0.000 5.089 -13.466) 14.395 16.047 ( 0.000 -4.118 -2.014) 4.584 16.180 ( 0.000 -4.567 -6.714) 8.120 16.450 ( 0.000 -2.129 -7.595) 7.887 16.592 ( 0.000 -7.680 -9.388) 12.129 17.713 ( 0.000 3.169 2.748) 4.195 17.818 ( 0.000 -2.980 -0.085) 2.981 17.932 ( 0.000 2.839 -13.764) 14.054 18.042 ( 0.000 -0.626 -11.546) 11.563 18.227 ( 0.000 2.621 0.239) 2.632 18.392 ( 0.000 -2.694 -12.906) 13.184 18.636 ( 0.000 3.860 0.669) 3.918 18.778 ( 0.000 -2.785 6.732) 7.285 21.033 ( 0.000 4.766 5.457) 7.245 21.154 ( 0.000 0.255 8.509) 8.513 21.307 ( 0.000 2.396 17.179) 17.346 21.562 ( 0.000 -7.241 12.783) 14.692 22.421 ( 0.000 -1.811 -4.591) 4.935 22.430 ( 0.000 4.677 1.522) 4.918 22.523 ( 0.000 -2.842 -2.827) 4.008 22.737 ( 0.000 -4.943 3.975) 6.343 23.047 ( 0.000 6.483 -6.189) 8.963 23.442 ( 0.000 -16.116 8.183) 18.075 25.271 ( 0.000 7.044 -0.530) 7.064 25.591 ( 0.000 -7.210 -0.722) 7.246 27.789 ( 0.000 3.324 -5.182) 6.156 27.853 ( 0.000 2.564 -10.026) 10.349 ======================= Grid point 113 (42/80) ======================= q-point: ( 0.14 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( -1.662 7.598 12.361) 14.604 1.672 ( 5.719 2.817 8.937) 10.977 1.816 ( 4.126 6.611 3.510) 8.547 1.841 ( 5.004 7.527 11.190) 14.385 2.202 ( 0.205 -0.408 8.645) 8.657 2.303 ( 1.985 -11.519 -1.683) 11.809 2.501 ( 4.374 8.998 8.962) 13.432 2.956 ( -6.465 -0.576 -3.749) 7.496 2.994 ( -8.249 1.880 0.649) 8.485 3.084 ( 0.289 -4.045 -1.857) 4.460 3.405 ( 7.670 -3.997 -4.204) 9.617 3.651 ( 1.147 -10.448 -4.082) 11.276 4.038 ( -4.236 -9.047 8.206) 12.928 4.047 ( -2.686 -7.222 -3.813) 8.597 4.840 ( 8.075 1.396 -1.995) 8.434 4.874 ( 11.008 -1.062 -0.816) 11.089 5.570 ( -2.175 20.547 -2.614) 20.827 5.787 ( 3.326 15.122 0.467) 15.490 5.807 ( -1.192 9.267 33.466) 34.746 6.081 ( -6.071 2.705 25.247) 26.107 6.375 ( 7.643 -4.561 4.193) 9.838 6.601 ( 10.472 -12.962 22.271) 27.815 7.039 ( -7.532 -6.996 5.879) 11.842 7.355 ( 2.866 -14.443 2.788) 14.986 7.739 ( -4.776 1.674 0.036) 5.061 7.757 ( -17.354 -1.971 -1.153) 17.503 8.292 ( 0.745 9.935 -2.882) 10.371 8.363 ( 2.500 6.624 18.119) 19.454 8.662 ( 5.103 1.658 13.277) 14.320 8.692 ( 4.672 7.810 5.201) 10.482 8.882 ( 3.208 16.877 2.514) 17.363 9.150 ( -5.034 -5.487 -6.517) 9.896 9.337 ( -7.009 -10.840 -5.294) 13.952 9.609 ( 12.894 -14.332 -2.816) 19.483 9.709 ( -16.509 12.079 -3.398) 20.736 10.019 ( 3.585 -4.328 0.783) 5.674 10.444 ( -2.635 0.851 -9.026) 9.441 10.555 ( -8.252 -3.304 -0.641) 8.912 10.796 ( 3.271 -4.635 -6.143) 8.362 10.902 ( 2.140 -12.114 10.141) 15.942 11.096 ( 9.226 6.613 -1.852) 11.502 11.299 ( 8.517 -0.991 -3.148) 9.134 11.716 ( -2.627 5.093 17.378) 18.299 11.918 ( 2.189 -3.486 27.445) 27.752 12.040 ( -5.996 4.886 11.624) 13.962 12.378 ( -2.404 3.287 7.273) 8.335 12.491 ( 1.775 3.189 4.734) 5.977 12.555 ( 7.865 -4.859 -7.021) 11.609 12.903 ( 2.142 6.080 -3.985) 7.579 13.070 ( -4.280 -7.916 1.916) 9.201 13.304 ( -2.766 6.759 10.203) 12.548 13.479 ( 0.716 -0.339 5.586) 5.642 13.570 ( -0.142 -4.456 6.559) 7.930 13.702 ( 3.240 -1.441 -11.979) 12.493 14.218 ( 4.828 5.786 -4.186) 8.620 14.484 ( -0.416 8.237 -0.458) 8.261 14.724 ( -9.104 -1.038 -0.584) 9.181 14.825 ( -4.858 7.075 -6.856) 10.985 14.978 ( -5.617 1.380 -9.537) 11.154 15.077 ( -4.383 2.519 -22.493) 23.054 15.194 ( -4.240 -18.148 7.977) 20.272 15.264 ( -2.874 5.024 0.928) 5.862 15.798 ( 6.543 13.719 -3.957) 15.706 15.865 ( 5.960 3.521 -12.074) 13.918 16.046 ( -0.256 -1.955 -2.275) 3.010 16.187 ( 1.360 -3.713 -6.336) 7.468 16.486 ( 4.210 -0.360 -7.661) 8.749 16.629 ( 3.492 -6.431 -7.994) 10.838 17.725 ( 1.224 2.409 3.618) 4.516 17.819 ( -0.181 -3.021 -0.953) 3.172 17.885 ( -3.989 1.962 -3.957) 5.951 18.004 ( -3.849 -1.858 -8.362) 9.391 18.267 ( 3.789 1.660 -3.110) 5.175 18.400 ( 0.711 -2.794 -12.837) 13.157 18.616 ( -2.145 4.934 -1.230) 5.519 18.776 ( -0.498 -2.392 3.931) 4.629 21.035 ( 0.263 4.635 5.837) 7.458 21.151 ( -0.295 0.214 8.749) 8.756 21.303 ( -0.480 1.713 16.749) 16.843 21.529 ( -3.929 -7.427 14.288) 16.575 22.183 ( -11.097 5.590 -1.581) 12.526 22.394 ( -4.744 -3.310 -3.931) 6.994 22.582 ( -0.655 2.645 2.471) 3.679 22.814 ( 2.235 -5.759 8.726) 10.691 23.132 ( 8.394 5.162 -6.636) 11.880 23.497 ( 6.975 -14.356 -2.394) 16.139 25.274 ( 0.315 6.454 -0.832) 6.515 25.572 ( -2.137 -6.734 -1.150) 7.158 27.759 ( -2.098 4.084 -4.586) 6.489 27.859 ( -0.166 0.524 -8.749) 8.767 ======================= Grid point 114 (43/80) ======================= q-point: ( 0.29 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.450 ( 6.373 -0.329 11.513) 13.163 1.719 ( 0.586 -6.270 12.146) 13.682 1.902 ( 4.862 6.436 6.325) 10.250 1.979 ( 7.754 10.861 9.656) 16.471 2.218 ( 1.119 -1.522 8.329) 8.541 2.329 ( 0.491 -8.922 0.714) 8.964 2.557 ( 1.126 8.072 0.444) 8.162 2.775 ( -9.894 7.224 -3.277) 12.681 2.933 ( -0.347 -5.473 1.760) 5.759 3.060 ( -2.590 -5.678 -2.602) 6.761 3.525 ( 5.336 -4.000 -4.588) 8.094 3.674 ( 0.794 -7.908 -4.060) 8.924 3.967 ( -2.924 -6.845 4.140) 8.517 3.992 ( -2.899 -6.770 -4.105) 8.432 5.025 ( 11.172 4.117 -3.736) 12.479 5.134 ( 14.817 -1.791 -4.300) 15.532 5.540 ( -0.338 19.390 -3.933) 19.788 5.789 ( -0.633 8.972 33.247) 34.442 5.831 ( 1.029 12.330 2.424) 12.608 5.997 ( -3.210 -0.886 30.476) 30.657 6.535 ( 9.787 -8.428 2.588) 13.172 6.764 ( 2.280 -18.498 16.362) 24.801 6.950 ( -0.674 5.056 10.689) 11.844 7.284 ( -10.311 -5.653 5.943) 13.175 7.455 ( -10.067 2.998 -0.504) 10.516 7.744 ( 3.784 -8.499 -1.451) 9.416 8.272 ( -1.357 8.523 -0.339) 8.637 8.410 ( 1.831 7.365 20.050) 21.438 8.626 ( -2.050 -2.760 15.489) 15.866 8.801 ( -0.943 8.045 -4.343) 9.191 8.926 ( 0.116 18.638 -0.063) 18.638 9.102 ( -12.762 -6.615 -0.475) 14.383 9.188 ( 4.463 4.425 -2.090) 6.623 9.439 ( -8.877 3.220 -6.393) 11.403 9.854 ( 11.292 -7.086 -0.042) 13.331 10.075 ( 2.432 -9.812 2.457) 10.403 10.407 ( -2.552 1.420 -9.174) 9.627 10.464 ( -1.124 -1.666 -3.571) 4.098 10.785 ( -0.173 -0.225 -1.558) 1.583 11.043 ( 9.262 -10.572 18.710) 23.402 11.199 ( 2.103 0.688 1.820) 2.866 11.434 ( 5.374 -0.301 5.802) 7.914 11.726 ( 3.161 6.656 2.763) 7.869 11.918 ( -5.443 -2.052 14.455) 15.582 11.941 ( -0.251 -6.938 16.844) 18.218 12.297 ( -7.340 -3.330 16.967) 18.785 12.517 ( 1.249 -1.187 -2.555) 3.081 12.665 ( 1.014 -7.642 -5.909) 9.713 12.908 ( 0.656 -3.064 -3.532) 4.722 13.040 ( 0.775 -1.130 1.726) 2.203 13.285 ( 2.409 15.965 8.760) 18.369 13.487 ( -0.157 1.654 2.564) 3.055 13.600 ( 3.078 -2.561 3.584) 5.374 13.755 ( 1.721 0.261 -10.050) 10.199 14.303 ( 3.298 6.065 -3.549) 7.762 14.480 ( -0.528 4.819 1.247) 5.006 14.564 ( -4.937 4.988 -1.174) 7.116 14.742 ( -4.319 1.590 0.248) 4.609 14.867 ( -5.458 2.056 -8.217) 10.077 14.973 ( -7.414 -2.165 -13.229) 15.318 15.083 ( -5.485 -9.606 -8.232) 13.789 15.194 ( -4.593 3.907 -9.092) 10.910 15.844 ( 1.966 8.450 -9.000) 12.501 16.026 ( -2.194 0.010 -2.775) 3.538 16.040 ( 8.731 3.586 -10.590) 14.185 16.235 ( 2.840 -3.711 -5.870) 7.503 16.607 ( 8.122 3.178 -5.881) 10.519 16.705 ( 4.259 -2.488 -5.225) 7.185 17.754 ( 1.693 0.393 4.169) 4.517 17.784 ( -3.250 -2.742 -0.495) 4.280 17.838 ( -0.674 -1.502 6.310) 6.521 17.914 ( -5.423 -4.105 -0.469) 6.818 18.348 ( 4.108 0.530 -7.055) 8.181 18.424 ( 2.495 -2.254 -6.532) 7.347 18.558 ( -3.794 6.956 -7.229) 10.726 18.745 ( -3.077 -1.881 -1.622) 3.954 21.046 ( 1.015 4.149 6.878) 8.097 21.142 ( -0.759 0.291 9.354) 9.389 21.291 ( -0.689 0.215 15.517) 15.534 21.419 ( -6.958 -4.731 14.806) 17.030 22.096 ( 1.464 6.248 0.201) 6.420 22.333 ( -1.420 -4.198 -3.195) 5.463 22.512 ( -5.781 2.869 3.012) 7.122 22.713 ( -11.077 -5.297 12.180) 17.295 23.352 ( 13.914 5.607 -9.249) 17.624 23.656 ( 7.520 -8.245 -11.426) 15.972 25.287 ( 1.200 3.705 -1.505) 4.175 25.508 ( -4.678 -5.530 -1.824) 7.469 27.737 ( -0.034 2.873 -3.328) 4.396 27.838 ( -1.885 -1.107 -6.587) 6.941 ======================= Grid point 115 (44/80) ======================= q-point: ( 0.43 0.33 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( 7.715 -6.857 9.949) 14.336 1.699 ( -3.222 -8.489 11.339) 14.526 1.994 ( 4.810 6.445 9.975) 12.813 2.057 ( -0.580 6.761 8.312) 10.730 2.255 ( 3.451 -0.744 8.842) 9.521 2.315 ( -2.136 -3.946 4.694) 6.494 2.564 ( 0.822 6.730 -3.274) 7.529 2.623 ( -5.904 5.996 -3.891) 9.271 2.955 ( 2.214 -5.570 -0.496) 6.014 3.005 ( -2.981 -5.911 -2.405) 7.044 3.609 ( 3.840 -4.582 -3.859) 7.115 3.665 ( -1.885 -5.830 -3.900) 7.262 3.936 ( -0.386 -5.999 0.115) 6.012 3.949 ( -1.607 -6.126 -2.827) 6.936 5.221 ( 8.688 7.719 -5.867) 13.019 5.305 ( 1.114 6.322 -6.513) 9.145 5.618 ( 9.269 9.042 -2.482) 13.184 5.759 ( -3.852 8.164 10.994) 14.225 5.851 ( 2.210 5.278 24.675) 25.329 5.927 ( -4.966 0.546 28.667) 29.099 6.715 ( 6.467 -4.839 2.676) 8.509 6.783 ( 7.120 -9.458 7.406) 13.964 6.853 ( -8.671 -0.911 9.260) 12.718 7.031 ( -15.043 -7.759 7.295) 18.432 7.526 ( 13.565 3.238 4.982) 14.809 7.748 ( -6.667 -3.249 1.185) 7.510 8.304 ( 5.991 5.047 10.187) 12.851 8.411 ( -2.667 6.853 24.992) 26.051 8.614 ( 1.328 -0.126 7.515) 7.632 8.717 ( -8.631 -2.996 -1.357) 9.237 8.850 ( -2.286 10.807 -2.840) 11.405 8.903 ( -5.754 9.839 -2.580) 11.686 9.303 ( 4.270 5.927 -3.259) 7.999 9.355 ( -2.140 0.017 -6.119) 6.483 10.041 ( 9.320 -5.616 1.837) 11.035 10.131 ( 2.002 -2.210 -0.804) 3.089 10.339 ( -2.827 -0.604 -3.512) 4.549 10.399 ( -6.645 2.436 -2.204) 7.413 10.893 ( 10.532 1.378 5.375) 11.904 11.069 ( -6.435 2.334 8.194) 10.677 11.334 ( 12.023 -14.589 12.252) 22.528 11.492 ( -1.452 -5.114 15.623) 16.503 11.720 ( -0.801 3.549 1.522) 3.943 11.810 ( -7.550 -6.252 8.177) 12.765 12.006 ( 7.077 -7.632 7.197) 12.654 12.142 ( -7.768 -8.454 14.572) 18.552 12.535 ( 1.336 -1.887 1.880) 2.980 12.597 ( -5.212 -2.788 1.635) 6.133 12.979 ( 4.993 -4.147 -6.890) 9.465 13.043 ( -1.305 -3.336 -3.979) 5.354 13.380 ( 5.991 12.728 4.579) 14.794 13.463 ( -2.677 6.384 3.654) 7.827 13.671 ( 4.310 0.735 -0.245) 4.379 13.745 ( -2.831 -0.204 -6.053) 6.685 14.350 ( 3.073 9.545 -3.830) 10.735 14.428 ( -4.386 8.673 -5.169) 11.008 14.575 ( 4.110 -2.238 10.669) 11.650 14.666 ( -4.485 -4.307 8.827) 10.797 14.802 ( -1.011 2.639 -10.780) 11.144 14.838 ( -5.184 0.933 -7.485) 9.153 15.036 ( 0.715 -1.646 -21.550) 21.625 15.099 ( -5.074 1.623 -18.101) 18.868 15.895 ( 3.507 6.035 -7.071) 9.935 15.967 ( -3.867 2.631 -4.645) 6.591 16.176 ( 5.910 -0.055 -11.548) 12.973 16.250 ( -1.684 -2.882 -9.114) 9.706 16.740 ( 4.894 3.972 -3.246) 7.090 16.768 ( 1.684 1.962 -3.040) 3.991 17.748 ( 0.155 -5.792 3.120) 6.581 17.775 ( -0.626 -4.519 3.035) 5.479 17.826 ( -1.319 -1.851 6.533) 6.917 17.829 ( -1.762 -3.057 7.542) 8.326 18.404 ( 2.698 2.449 -7.383) 8.233 18.462 ( -2.687 2.084 4.865) 5.936 18.538 ( 5.409 2.367 -16.751) 17.762 18.658 ( -6.111 -1.181 -6.718) 9.158 21.075 ( 2.129 3.040 8.370) 9.155 21.117 ( -2.005 1.313 9.555) 9.851 21.284 ( 0.207 -1.061 14.017) 14.059 21.315 ( -3.561 -1.983 13.576) 14.175 22.200 ( 8.523 3.252 3.730) 9.855 22.332 ( -1.089 -0.689 -0.102) 1.293 22.402 ( -3.512 -1.289 2.766) 4.652 22.493 ( -10.419 -3.152 5.796) 12.332 23.592 ( 10.712 4.589 -10.918) 15.969 23.715 ( -1.815 -0.381 -12.238) 12.377 25.327 ( 3.390 -0.704 -2.047) 4.022 25.411 ( -5.279 -3.883 -2.178) 6.906 27.755 ( 1.813 0.633 -3.250) 3.775 27.796 ( -2.428 -0.962 -4.481) 5.186 ======================= Grid point 119 (45/80) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 0.000 -1.272 2.114) 2.468 1.612 ( 0.000 1.272 2.114) 2.468 1.931 ( 0.000 -4.884 8.878) 10.133 1.931 ( 0.000 4.884 8.878) 10.133 2.123 ( 0.000 -5.061 2.194) 5.516 2.123 ( 0.000 5.061 2.194) 5.516 2.681 ( 0.000 -14.733 6.187) 15.979 2.681 ( 0.000 14.733 6.187) 15.979 3.149 ( 0.000 -5.018 1.133) 5.144 3.149 ( 0.000 5.018 1.133) 5.144 3.401 ( 0.000 -11.890 -7.190) 13.894 3.401 ( 0.000 11.890 -7.190) 13.894 3.987 ( 0.000 -0.667 2.876) 2.952 3.987 ( 0.000 0.667 2.876) 2.952 4.765 ( 0.000 -0.639 -0.786) 1.013 4.765 ( 0.000 0.639 -0.786) 1.013 5.866 ( 0.000 -4.589 19.453) 19.987 5.866 ( 0.000 4.589 19.453) 19.987 6.099 ( 0.000 -15.369 0.182) 15.370 6.099 ( 0.000 15.369 0.182) 15.370 6.326 ( 0.000 -3.099 21.132) 21.358 6.326 ( 0.000 3.099 21.132) 21.358 7.017 ( 0.000 -3.136 4.923) 5.837 7.017 ( 0.000 3.136 4.923) 5.837 7.868 ( 0.000 -4.802 -4.397) 6.511 7.868 ( 0.000 4.802 -4.397) 6.511 8.516 ( 0.000 -9.013 18.931) 20.967 8.516 ( 0.000 9.013 18.931) 20.967 8.597 ( 0.000 -12.998 6.835) 14.685 8.597 ( 0.000 12.998 6.835) 14.685 9.102 ( 0.000 -4.437 -10.929) 11.795 9.102 ( 0.000 4.437 -10.929) 11.795 9.234 ( 0.000 -8.941 0.368) 8.949 9.234 ( 0.000 8.941 0.368) 8.949 9.993 ( 0.000 -1.211 -2.360) 2.653 9.993 ( 0.000 1.211 -2.360) 2.653 10.478 ( 0.000 -2.202 6.065) 6.453 10.478 ( 0.000 2.202 6.065) 6.453 10.830 ( 0.000 -4.556 -13.005) 13.780 10.830 ( 0.000 4.556 -13.005) 13.780 11.079 ( 0.000 -6.043 -5.087) 7.899 11.079 ( 0.000 6.043 -5.087) 7.899 11.834 ( 0.000 -3.663 29.282) 29.510 11.834 ( 0.000 3.663 29.282) 29.510 12.386 ( 0.000 -14.742 13.363) 19.897 12.386 ( 0.000 14.742 13.363) 19.897 12.437 ( 0.000 -0.067 -9.556) 9.556 12.437 ( 0.000 0.067 -9.556) 9.556 12.973 ( 0.000 -2.459 -1.145) 2.713 12.973 ( 0.000 2.459 -1.145) 2.713 13.366 ( 0.000 -4.643 17.120) 17.738 13.366 ( 0.000 4.643 17.120) 17.738 13.629 ( 0.000 -0.947 -5.751) 5.829 13.629 ( 0.000 0.947 -5.751) 5.829 14.512 ( 0.000 -22.550 -1.208) 22.582 14.512 ( 0.000 22.550 -1.208) 22.582 14.725 ( 0.000 -14.078 -3.640) 14.541 14.725 ( 0.000 14.078 -3.640) 14.541 15.048 ( 0.000 -3.161 -12.939) 13.320 15.048 ( 0.000 3.161 -12.939) 13.320 15.327 ( 0.000 -2.262 1.403) 2.662 15.327 ( 0.000 2.262 1.403) 2.662 15.892 ( 0.000 -8.927 -5.023) 10.243 15.892 ( 0.000 8.927 -5.023) 10.243 16.020 ( 0.000 -10.478 -2.370) 10.742 16.020 ( 0.000 10.478 -2.370) 10.742 16.467 ( 0.000 -3.952 -10.633) 11.344 16.467 ( 0.000 3.952 -10.633) 11.344 17.767 ( 0.000 -2.289 1.051) 2.519 17.767 ( 0.000 2.289 1.051) 2.519 17.997 ( 0.000 -3.218 -16.486) 16.797 17.997 ( 0.000 3.218 -16.486) 16.797 18.313 ( 0.000 -4.808 -4.782) 6.781 18.313 ( 0.000 4.808 -4.782) 6.781 18.712 ( 0.000 -3.537 1.787) 3.963 18.712 ( 0.000 3.537 1.787) 3.963 21.117 ( 0.000 -3.304 6.522) 7.311 21.117 ( 0.000 3.304 6.522) 7.311 21.411 ( 0.000 -6.960 17.238) 18.590 21.411 ( 0.000 6.960 17.238) 18.590 22.420 ( 0.000 -1.702 -5.477) 5.735 22.420 ( 0.000 1.702 -5.477) 5.735 22.609 ( 0.000 -7.080 6.516) 9.622 22.609 ( 0.000 7.080 6.516) 9.622 23.197 ( 0.000 -8.827 -1.574) 8.966 23.197 ( 0.000 8.827 -1.574) 8.966 25.430 ( 0.000 -8.164 -0.588) 8.185 25.430 ( 0.000 8.164 -0.588) 8.185 27.850 ( 0.000 -2.160 -7.420) 7.728 27.850 ( 0.000 2.160 -7.420) 7.728 ======================= Grid point 121 (46/80) ======================= q-point: ( 0.14 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.567 ( -2.978 -8.166 4.402) 9.743 1.567 ( -2.978 8.166 4.402) 9.743 2.001 ( 5.567 -4.778 7.892) 10.776 2.001 ( 5.567 4.778 7.892) 10.776 2.137 ( 1.578 -3.282 4.140) 5.514 2.137 ( 1.578 3.282 4.140) 5.514 2.711 ( 2.683 -12.953 3.641) 13.719 2.711 ( 2.683 12.953 3.641) 13.719 3.064 ( -7.376 -1.649 -0.003) 7.559 3.064 ( -7.376 1.649 -0.003) 7.559 3.458 ( 4.586 -7.616 -6.398) 10.953 3.458 ( 4.586 7.616 -6.398) 10.953 3.958 ( -2.679 -0.977 1.470) 3.208 3.958 ( -2.679 0.977 1.470) 3.208 4.856 ( 9.347 -0.656 -1.274) 9.457 4.856 ( 9.347 0.656 -1.274) 9.457 5.860 ( -0.409 -6.543 18.633) 19.752 5.860 ( -0.409 6.543 18.633) 19.752 6.086 ( -2.906 -12.214 5.739) 13.804 6.086 ( -2.906 12.214 5.739) 13.804 6.345 ( 3.429 -11.705 16.412) 20.448 6.345 ( 3.429 11.705 16.412) 20.448 7.063 ( 4.376 -10.835 6.324) 13.287 7.063 ( 4.376 10.835 6.324) 13.287 7.746 ( -10.906 -1.317 -2.716) 11.316 7.746 ( -10.906 1.317 -2.716) 11.316 8.507 ( -0.930 -8.407 18.100) 19.979 8.507 ( -0.930 8.407 18.100) 19.979 8.641 ( 2.412 -18.289 0.136) 18.448 8.641 ( 2.412 18.289 0.136) 18.448 9.157 ( 1.353 -11.045 -7.127) 13.215 9.157 ( 1.353 11.045 -7.127) 13.215 9.253 ( 6.581 -17.425 1.910) 18.724 9.253 ( 6.581 17.425 1.910) 18.724 9.913 ( -8.508 -7.199 0.055) 11.145 9.913 ( -8.508 7.199 0.055) 11.145 10.476 ( -0.670 -4.216 0.121) 4.271 10.476 ( -0.670 4.216 0.121) 4.271 10.754 ( -0.810 -2.426 -6.675) 7.148 10.754 ( -0.810 2.426 -6.675) 7.148 11.231 ( 9.620 -5.374 -1.611) 11.137 11.231 ( 9.620 5.374 -1.611) 11.137 11.829 ( -0.677 -5.290 23.985) 24.571 11.829 ( -0.677 5.290 23.985) 24.571 12.285 ( -9.750 -15.241 14.140) 22.962 12.285 ( -9.750 15.241 14.140) 22.962 12.478 ( 3.696 -2.080 -8.596) 9.586 12.478 ( 3.696 2.080 -8.596) 9.586 12.970 ( -0.335 -4.089 1.072) 4.241 12.970 ( -0.335 4.089 1.072) 4.241 13.414 ( 4.684 -4.264 13.375) 14.799 13.414 ( 4.684 4.264 13.375) 14.799 13.630 ( 0.067 -6.856 -5.944) 9.075 13.630 ( 0.067 6.856 -5.944) 9.075 14.494 ( -1.450 -16.650 -1.883) 16.819 14.494 ( -1.450 16.650 -1.883) 16.819 14.707 ( -2.005 -12.518 -2.621) 12.946 14.707 ( -2.005 12.518 -2.621) 12.946 15.012 ( -4.114 -2.442 -8.529) 9.780 15.012 ( -4.114 2.442 -8.529) 9.780 15.236 ( -6.912 -7.701 -6.729) 12.343 15.236 ( -6.912 7.701 -6.729) 12.343 15.953 ( 3.187 -4.997 -3.836) 7.060 15.953 ( 3.187 4.997 -3.836) 7.060 16.053 ( 4.138 -9.343 -3.667) 10.857 16.053 ( 4.138 9.343 -3.667) 10.857 16.517 ( 5.454 -3.902 -8.939) 11.175 16.517 ( 5.454 3.902 -8.939) 11.175 17.770 ( 0.151 -2.053 1.452) 2.519 17.770 ( 0.151 2.053 1.452) 2.519 17.945 ( -5.052 -3.507 -9.223) 11.085 17.945 ( -5.052 3.507 -9.223) 11.085 18.326 ( 1.540 -3.813 -6.025) 7.294 18.326 ( 1.540 3.813 -6.025) 7.294 18.711 ( -0.502 -3.998 -1.626) 4.345 18.711 ( -0.502 3.998 -1.626) 4.345 21.116 ( -0.030 -3.171 6.712) 7.423 21.116 ( -0.030 3.171 6.712) 7.423 21.388 ( -2.376 -6.068 17.277) 18.465 21.388 ( -2.376 6.068 17.277) 18.465 22.296 ( -7.275 -5.433 -3.465) 9.719 22.296 ( -7.275 5.433 -3.465) 9.719 22.685 ( 1.042 -6.385 7.519) 9.919 22.685 ( 1.042 6.385 7.519) 9.919 23.268 ( 8.667 -8.502 -6.208) 13.636 23.268 ( 8.667 8.502 -6.208) 13.636 25.422 ( -1.049 -7.665 -0.933) 7.793 25.422 ( -1.049 7.665 -0.933) 7.793 27.832 ( -1.731 -2.818 -6.533) 7.323 27.832 ( -1.731 2.818 -6.533) 7.323 ======================= Grid point 123 (47/80) ======================= q-point: ( 0.29 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.539 ( 0.006 -8.523 7.907) 11.626 1.539 ( 0.006 8.523 7.907) 11.626 2.090 ( 3.824 -9.345 7.384) 12.509 2.090 ( 3.824 9.345 7.384) 12.509 2.179 ( 2.536 -6.513 6.560) 9.585 2.179 ( 2.536 6.513 6.560) 9.585 2.749 ( 0.522 -10.589 1.978) 10.785 2.749 ( 0.522 10.589 1.978) 10.785 2.928 ( -6.009 -6.804 -2.976) 9.553 2.928 ( -6.009 6.804 -2.976) 9.553 3.535 ( 3.355 -4.628 -5.661) 8.045 3.535 ( 3.355 4.628 -5.661) 8.045 3.908 ( -2.367 -1.035 -0.617) 2.656 3.908 ( -2.367 1.035 -0.617) 2.656 5.086 ( 14.226 -2.485 -3.901) 14.959 5.086 ( 14.226 2.485 -3.901) 14.959 5.855 ( -0.397 -8.688 13.058) 15.689 5.855 ( -0.397 8.688 13.058) 15.689 5.990 ( -5.961 -5.448 18.096) 19.816 5.990 ( -5.961 5.448 18.096) 19.816 6.459 ( 8.044 -7.579 8.855) 14.162 6.459 ( 8.044 7.579 8.855) 14.162 7.111 ( -3.139 -9.849 8.735) 13.534 7.111 ( -3.139 9.849 8.735) 13.534 7.575 ( -3.337 -7.518 -2.657) 8.644 7.575 ( -3.337 7.518 -2.657) 8.644 8.479 ( -2.318 -7.846 13.556) 15.833 8.479 ( -2.318 7.846 13.556) 15.833 8.651 ( -0.614 -14.287 2.581) 14.531 8.651 ( -0.614 14.287 2.581) 14.531 9.100 ( -5.487 -4.418 -5.274) 8.800 9.100 ( -5.487 4.418 -5.274) 8.800 9.419 ( 2.158 -13.353 3.562) 13.988 9.419 ( 2.158 13.353 3.562) 13.988 9.801 ( 4.329 -9.234 0.478) 10.210 9.801 ( 4.329 9.234 0.478) 10.210 10.468 ( -0.883 -1.069 -8.001) 8.120 10.468 ( -0.883 1.069 -8.001) 8.120 10.825 ( 7.132 -6.151 6.977) 11.721 10.825 ( 7.132 6.151 6.977) 11.721 11.349 ( 1.926 -8.112 9.523) 12.657 11.349 ( 1.926 8.112 9.523) 12.657 11.809 ( -1.297 -5.222 7.308) 9.075 11.809 ( -1.297 5.222 7.308) 9.075 12.075 ( -10.596 -13.643 16.428) 23.839 12.075 ( -10.596 13.643 16.428) 23.839 12.546 ( 2.430 -4.414 -4.472) 6.737 12.546 ( 2.430 4.414 -4.472) 6.737 12.963 ( -0.272 -5.445 -0.083) 5.453 12.963 ( -0.272 5.445 -0.083) 5.453 13.511 ( 4.851 -5.157 9.014) 11.462 13.511 ( 4.851 5.157 9.014) 11.462 13.637 ( 0.971 -10.955 -6.305) 12.677 13.637 ( 0.971 10.955 -6.305) 12.677 14.479 ( 0.067 -6.810 -3.812) 7.805 14.479 ( 0.067 6.810 -3.812) 7.805 14.649 ( -4.094 -9.321 2.729) 10.540 14.649 ( -4.094 9.321 2.729) 10.540 14.912 ( -5.304 -1.639 -6.642) 8.656 14.912 ( -5.304 1.639 -6.642) 8.656 15.135 ( -3.992 -8.313 -16.094) 18.549 15.135 ( -3.992 8.313 -16.094) 18.549 15.972 ( -0.280 -4.202 -2.470) 4.883 15.972 ( -0.280 4.202 -2.470) 4.883 16.145 ( 4.447 -4.797 -9.324) 11.389 16.145 ( 4.447 4.797 -9.324) 11.389 16.657 ( 8.565 -2.162 -4.604) 9.962 16.657 ( 8.565 2.162 -4.604) 9.962 17.762 ( -1.845 -0.349 0.894) 2.079 17.762 ( -1.845 0.349 0.894) 2.079 17.842 ( -4.579 -2.209 3.740) 6.311 17.842 ( -4.579 2.209 3.740) 6.311 18.373 ( 3.434 -2.060 -4.496) 6.021 18.373 ( 3.434 2.060 -4.496) 6.021 18.681 ( -2.842 -4.599 -8.990) 10.490 18.681 ( -2.842 4.599 -8.990) 10.490 21.117 ( 0.179 -2.620 7.267) 7.727 21.117 ( 0.179 2.620 7.267) 7.727 21.331 ( -3.371 -3.525 16.520) 17.225 21.331 ( -3.371 3.525 16.520) 17.225 22.222 ( -0.361 -6.054 -2.050) 6.402 22.222 ( -0.361 6.054 -2.050) 6.402 22.601 ( -8.413 -5.322 7.518) 12.475 22.601 ( -8.413 5.322 7.518) 12.475 23.490 ( 12.949 -7.696 -10.626) 18.434 23.490 ( 12.949 7.696 -10.626) 18.434 25.388 ( -2.503 -5.828 -1.460) 6.509 25.388 ( -2.503 5.828 -1.460) 6.509 27.797 ( -1.740 -2.751 -4.739) 5.749 27.797 ( -1.740 2.751 -4.739) 5.749 ======================= Grid point 125 (48/80) ======================= q-point: ( 0.43 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.551 ( 0.667 -3.577 10.671) 11.274 1.551 ( 0.667 3.577 10.671) 11.274 2.150 ( 2.419 -6.326 8.954) 11.227 2.150 ( 2.419 6.326 8.954) 11.227 2.207 ( 0.221 -4.875 4.878) 6.900 2.207 ( 0.221 4.875 4.878) 6.900 2.723 ( -1.965 -3.921 4.817) 6.515 2.723 ( -1.965 3.921 4.817) 6.515 2.869 ( -0.838 -3.442 -7.473) 8.271 2.869 ( -0.838 3.442 -7.473) 8.271 3.577 ( 1.116 -1.800 -4.647) 5.107 3.577 ( 1.116 1.800 -4.647) 5.107 3.877 ( -0.858 -0.450 -1.798) 2.042 3.877 ( -0.858 0.450 -1.798) 2.042 5.322 ( 8.702 -2.584 -7.147) 11.553 5.322 ( 8.702 2.584 -7.147) 11.553 5.822 ( -2.789 -6.694 -3.741) 8.160 5.822 ( -2.789 6.694 -3.741) 8.160 5.919 ( -1.183 -2.461 36.249) 36.351 5.919 ( -1.183 2.461 36.249) 36.351 6.637 ( 11.228 -0.891 7.284) 13.414 6.637 ( 11.228 0.891 7.284) 13.414 6.910 ( -14.500 -4.422 4.642) 15.854 6.910 ( -14.500 4.422 4.642) 15.854 7.641 ( 5.492 -6.720 -0.546) 8.696 7.641 ( 5.492 6.720 -0.546) 8.696 8.423 ( -2.780 -5.356 12.424) 13.812 8.423 ( -2.780 5.356 12.424) 13.812 8.647 ( 0.229 -4.270 10.662) 11.487 8.647 ( 0.229 4.270 10.662) 11.487 8.989 ( -4.667 -1.876 -2.769) 5.741 8.989 ( -4.667 1.876 -2.769) 5.741 9.351 ( -3.508 -1.004 -2.983) 4.713 9.351 ( -3.508 1.004 -2.983) 4.713 10.046 ( 14.160 -6.005 -0.404) 15.387 10.046 ( 14.160 6.005 -0.404) 15.387 10.395 ( -6.694 -3.481 -5.557) 9.370 10.395 ( -6.694 3.481 -5.557) 9.370 11.006 ( 11.738 -10.299 15.072) 21.703 11.006 ( 11.738 10.299 15.072) 21.703 11.263 ( -10.326 -12.604 13.477) 21.145 11.263 ( -10.326 12.604 13.477) 21.145 11.789 ( -0.643 -3.709 11.128) 11.748 11.789 ( -0.643 3.709 11.128) 11.748 11.965 ( -1.424 -6.597 2.188) 7.094 11.965 ( -1.424 6.597 2.188) 7.094 12.551 ( -0.978 -2.322 1.462) 2.913 12.551 ( -0.978 2.322 1.462) 2.913 12.965 ( 0.379 -2.691 -6.177) 6.748 12.965 ( 0.379 2.691 -6.177) 6.748 13.568 ( 1.246 -2.057 7.782) 8.145 13.568 ( 1.246 2.057 7.782) 8.145 13.669 ( 1.718 -4.410 -5.815) 7.497 13.669 ( 1.718 4.410 -5.815) 7.497 14.491 ( 0.773 -2.040 -5.446) 5.867 14.491 ( 0.773 2.040 -5.446) 5.867 14.579 ( -2.497 -3.743 8.193) 9.347 14.579 ( -2.497 3.743 8.193) 9.347 14.845 ( -1.813 -0.575 -10.466) 10.638 14.845 ( -1.813 0.575 -10.466) 10.638 15.080 ( -1.723 -3.953 -18.201) 18.704 15.080 ( -1.723 3.953 -18.201) 18.704 15.963 ( -0.403 -1.539 -2.519) 2.979 15.963 ( -0.403 1.539 -2.519) 2.979 16.203 ( 1.624 -1.742 -12.950) 13.167 16.203 ( 1.624 1.742 -12.950) 13.167 16.789 ( 4.365 -0.451 -2.154) 4.888 16.789 ( 4.365 0.451 -2.154) 4.888 17.698 ( -2.962 -1.240 4.750) 5.733 17.698 ( -2.962 1.240 4.750) 5.733 17.807 ( -0.310 -0.232 7.326) 7.336 17.807 ( -0.310 0.232 7.326) 7.336 18.444 ( 3.397 -1.755 5.322) 6.553 18.444 ( 3.397 1.755 5.322) 6.553 18.615 ( -3.327 -3.230 -20.906) 21.414 18.615 ( -3.327 3.230 -20.906) 21.414 21.122 ( 0.241 -1.161 7.937) 8.025 21.122 ( 0.241 1.161 7.937) 8.025 21.280 ( -1.668 -0.964 15.174) 15.296 21.280 ( -1.668 0.964 15.174) 15.296 22.274 ( 5.422 -3.856 0.315) 6.661 22.274 ( 5.422 3.856 0.315) 6.661 22.429 ( -8.928 -2.830 4.817) 10.532 22.429 ( -8.928 2.830 4.817) 10.532 23.677 ( 5.797 -3.284 -12.331) 14.015 23.677 ( 5.797 3.284 -12.331) 14.015 25.344 ( -1.619 -2.293 -1.586) 3.224 25.344 ( -1.619 2.293 -1.586) 3.224 27.774 ( -0.639 -1.121 -3.477) 3.709 27.774 ( -0.639 1.121 -3.477) 3.709 ======================= Grid point 147 (49/80) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( 0.000 0.000 -1.463) 1.463 1.558 ( 0.000 0.000 20.259) 20.259 1.983 ( 0.000 0.000 13.620) 13.620 2.027 ( 0.000 0.000 -5.941) 5.941 2.231 ( 0.000 0.000 18.250) 18.250 2.272 ( 0.000 0.000 2.911) 2.911 2.539 ( 0.000 0.000 -3.059) 3.059 2.769 ( 0.000 0.000 5.046) 5.046 3.013 ( 0.000 0.000 7.540) 7.540 3.242 ( 0.000 0.000 -2.382) 2.382 3.512 ( 0.000 0.000 -0.979) 0.979 3.958 ( 0.000 0.000 -3.234) 3.234 4.196 ( 0.000 0.000 -7.451) 7.451 4.641 ( 0.000 0.000 2.711) 2.711 4.643 ( 0.000 0.000 0.316) 0.316 4.830 ( 0.000 0.000 -1.794) 1.794 5.154 ( 0.000 0.000 7.598) 7.598 5.159 ( 0.000 0.000 -4.946) 4.946 6.116 ( 0.000 0.000 -12.206) 12.206 6.509 ( 0.000 0.000 22.958) 22.958 6.607 ( 0.000 0.000 37.840) 37.840 7.073 ( 0.000 0.000 0.885) 0.885 7.538 ( 0.000 0.000 0.222) 0.222 7.702 ( 0.000 0.000 -14.936) 14.936 7.892 ( 0.000 0.000 0.537) 0.537 7.897 ( 0.000 0.000 31.101) 31.101 7.979 ( 0.000 0.000 4.553) 4.553 8.305 ( 0.000 0.000 5.055) 5.055 8.427 ( 0.000 0.000 -6.272) 6.272 8.615 ( 0.000 0.000 21.475) 21.475 8.986 ( 0.000 0.000 -10.930) 10.930 9.268 ( 0.000 0.000 14.747) 14.747 9.521 ( 0.000 0.000 0.218) 0.218 9.561 ( 0.000 0.000 14.681) 14.681 9.706 ( 0.000 0.000 -1.965) 1.965 9.788 ( 0.000 0.000 0.536) 0.536 10.292 ( 0.000 0.000 -16.720) 16.720 10.634 ( 0.000 0.000 -3.231) 3.231 10.740 ( 0.000 0.000 -4.880) 4.880 10.886 ( 0.000 0.000 0.121) 0.121 11.647 ( 0.000 0.000 -15.777) 15.777 11.685 ( 0.000 0.000 28.585) 28.585 11.779 ( 0.000 0.000 11.597) 11.597 11.898 ( 0.000 0.000 18.057) 18.057 12.323 ( 0.000 0.000 -4.231) 4.231 12.482 ( 0.000 0.000 26.654) 26.654 12.621 ( 0.000 0.000 26.579) 26.579 12.705 ( 0.000 0.000 -7.712) 7.712 12.786 ( 0.000 0.000 9.257) 9.257 12.795 ( 0.000 0.000 -34.341) 34.341 13.175 ( 0.000 0.000 9.376) 9.376 13.516 ( 0.000 0.000 -0.808) 0.808 13.604 ( 0.000 0.000 11.189) 11.189 13.836 ( 0.000 0.000 -14.996) 14.996 14.151 ( 0.000 0.000 -1.260) 1.260 14.225 ( 0.000 0.000 -42.889) 42.889 14.282 ( 0.000 0.000 3.289) 3.289 14.343 ( 0.000 0.000 -17.370) 17.370 14.620 ( 0.000 0.000 -11.626) 11.626 14.948 ( 0.000 0.000 -8.958) 8.958 15.288 ( 0.000 0.000 9.848) 9.848 15.307 ( 0.000 0.000 13.103) 13.103 15.454 ( 0.000 0.000 -4.297) 4.297 15.973 ( 0.000 0.000 4.730) 4.730 16.009 ( 0.000 0.000 -10.971) 10.971 16.042 ( 0.000 0.000 4.212) 4.212 16.339 ( 0.000 0.000 -7.283) 7.283 16.763 ( 0.000 0.000 1.308) 1.308 17.703 ( 0.000 0.000 2.068) 2.068 17.736 ( 0.000 0.000 -12.784) 12.784 17.955 ( 0.000 0.000 -26.343) 26.343 18.009 ( 0.000 0.000 1.701) 1.701 18.093 ( 0.000 0.000 12.103) 12.103 18.347 ( 0.000 0.000 8.031) 8.031 18.607 ( 0.000 0.000 2.213) 2.213 19.034 ( 0.000 0.000 7.664) 7.664 20.928 ( 0.000 0.000 1.031) 1.031 21.297 ( 0.000 0.000 7.680) 7.680 21.607 ( 0.000 0.000 15.132) 15.132 21.773 ( 0.000 0.000 2.493) 2.493 22.328 ( 0.000 0.000 3.526) 3.526 22.434 ( 0.000 0.000 -3.899) 3.899 22.515 ( 0.000 0.000 -13.798) 13.798 22.719 ( 0.000 0.000 -3.588) 3.588 22.782 ( 0.000 0.000 -1.790) 1.790 24.243 ( 0.000 0.000 2.517) 2.517 25.101 ( 0.000 0.000 -0.516) 0.516 25.738 ( 0.000 0.000 -0.848) 0.848 27.546 ( 0.000 0.000 -1.227) 1.227 27.639 ( 0.000 0.000 -3.014) 3.014 ======================= Grid point 148 (50/80) ======================= q-point: ( 0.14 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.617 ( 7.118 0.000 0.356) 7.127 1.648 ( 8.429 0.000 18.136) 19.999 1.981 ( -0.083 0.000 10.894) 10.895 2.014 ( -1.238 0.000 -5.306) 5.449 2.277 ( 4.483 0.000 16.197) 16.806 2.303 ( 3.244 0.000 1.339) 3.510 2.528 ( -1.129 0.000 -3.242) 3.433 2.732 ( -4.241 0.000 6.741) 7.964 2.994 ( -1.035 0.000 2.326) 2.546 3.206 ( -3.459 0.000 -1.603) 3.812 3.555 ( 4.058 0.000 -1.376) 4.285 3.930 ( -2.762 0.000 -2.767) 3.909 4.173 ( -2.072 0.000 -6.269) 6.602 4.680 ( 3.372 0.000 2.150) 3.999 4.683 ( 4.107 0.000 0.865) 4.197 4.903 ( 7.704 0.000 -3.570) 8.491 4.959 ( -13.781 0.000 7.795) 15.832 5.285 ( 7.739 0.000 -4.965) 9.195 6.246 ( 12.150 0.000 -4.833) 13.076 6.518 ( -7.439 0.000 36.176) 36.933 6.569 ( 6.318 0.000 18.873) 19.902 7.027 ( -6.063 0.000 1.975) 6.377 7.617 ( 5.916 0.000 7.253) 9.360 7.678 ( -2.386 0.000 -8.638) 8.962 7.875 ( -4.111 0.000 24.663) 25.003 7.880 ( 2.427 0.000 -3.748) 4.465 8.077 ( 6.749 0.000 0.421) 6.762 8.146 ( -10.063 0.000 4.512) 11.028 8.434 ( 1.368 0.000 -1.098) 1.755 8.719 ( 4.614 0.000 27.281) 27.668 8.921 ( -3.388 0.000 -12.181) 12.644 9.103 ( -13.850 0.000 7.541) 15.770 9.456 ( -7.880 0.000 10.448) 13.087 9.487 ( -15.420 0.000 -0.785) 15.440 9.680 ( 11.217 0.000 7.913) 13.727 9.932 ( 8.586 0.000 -4.992) 9.932 10.287 ( -0.206 0.000 -14.180) 14.182 10.759 ( 10.148 0.000 -1.585) 10.271 10.782 ( 0.113 0.000 -3.360) 3.362 10.957 ( 10.008 0.000 1.153) 10.074 11.457 ( -11.918 0.000 16.466) 20.327 11.499 ( -12.613 0.000 -2.454) 12.849 11.923 ( 3.248 0.000 -0.863) 3.361 12.023 ( 13.402 0.000 18.461) 22.813 12.400 ( 5.421 0.000 -6.229) 8.257 12.472 ( -0.405 0.000 21.274) 21.277 12.663 ( 3.516 0.000 23.201) 23.466 12.684 ( 3.244 0.000 6.837) 7.568 12.870 ( 6.767 0.000 -24.538) 25.454 12.953 ( 11.809 0.000 0.435) 11.817 13.147 ( -3.422 0.000 6.209) 7.089 13.492 ( -0.392 0.000 2.151) 2.187 13.571 ( -3.623 0.000 10.730) 11.326 13.763 ( -7.765 0.000 -12.168) 14.435 14.081 ( -4.692 0.000 -9.251) 10.373 14.147 ( -5.268 0.000 -3.772) 6.479 14.267 ( 2.239 0.000 -34.204) 34.277 14.489 ( 5.513 0.000 -9.624) 11.091 14.657 ( 4.015 0.000 -12.479) 13.109 14.955 ( 0.770 0.000 -9.156) 9.188 15.151 ( -7.635 0.000 5.752) 9.559 15.227 ( -7.716 0.000 14.245) 16.200 15.666 ( 13.306 0.000 4.030) 13.903 15.928 ( -7.934 0.000 -2.958) 8.467 15.990 ( -0.197 0.000 -13.252) 13.254 16.036 ( 2.322 0.000 6.543) 6.943 16.242 ( -8.809 0.000 -9.050) 12.629 16.765 ( 0.023 0.000 3.012) 3.012 17.723 ( -1.309 0.000 -13.192) 13.257 17.734 ( 3.109 0.000 2.014) 3.705 17.942 ( -1.070 0.000 -23.382) 23.407 18.009 ( -0.435 0.000 -0.441) 0.619 18.104 ( 0.989 0.000 10.887) 10.932 18.353 ( -0.595 0.000 5.472) 5.504 18.608 ( 1.110 0.000 4.473) 4.609 19.022 ( -1.273 0.000 7.900) 8.002 20.950 ( 2.361 0.000 1.666) 2.889 21.309 ( 1.171 0.000 7.989) 8.074 21.593 ( -1.246 0.000 14.131) 14.185 21.838 ( 6.801 0.000 3.584) 7.688 22.034 ( -21.984 0.000 0.932) 22.004 22.374 ( -1.549 0.000 0.162) 1.557 22.464 ( -3.911 0.000 -10.705) 11.398 22.886 ( 9.466 0.000 -4.444) 10.457 23.010 ( 16.123 0.000 -0.649) 16.136 24.059 ( -17.951 0.000 1.557) 18.018 25.114 ( 1.780 0.000 -1.070) 2.077 25.697 ( -4.187 0.000 -1.076) 4.323 27.569 ( 2.305 0.000 -1.460) 2.729 27.664 ( 2.211 0.000 -4.000) 4.570 ======================= Grid point 149 (51/80) ======================= q-point: ( 0.29 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 7.896 0.000 3.960) 8.834 1.816 ( 8.290 0.000 11.529) 14.200 1.987 ( 0.914 0.000 5.619) 5.693 1.991 ( -0.859 0.000 -1.540) 1.764 2.371 ( 4.861 0.000 10.727) 11.777 2.380 ( 4.357 0.000 -0.660) 4.407 2.499 ( -1.903 0.000 -3.403) 3.899 2.622 ( -6.837 0.000 5.328) 8.668 2.998 ( 1.328 0.000 -2.888) 3.179 3.135 ( -3.559 0.000 -0.525) 3.597 3.640 ( 4.725 0.000 -1.636) 5.000 3.869 ( -3.556 0.000 -1.947) 4.054 4.143 ( -0.429 0.000 -2.974) 3.005 4.614 ( -14.427 0.000 12.417) 19.034 4.775 ( 5.333 0.000 -1.547) 5.553 4.820 ( 3.449 0.000 -1.019) 3.596 5.108 ( 13.974 0.000 -6.162) 15.272 5.451 ( 9.629 0.000 -4.697) 10.713 6.366 ( -9.192 0.000 30.027) 31.403 6.425 ( 3.057 0.000 13.887) 14.219 6.745 ( 11.095 0.000 6.280) 12.749 6.868 ( -8.668 0.000 3.518) 9.355 7.583 ( -8.396 0.000 -4.917) 9.730 7.701 ( 3.057 0.000 10.649) 11.079 7.764 ( -1.133 0.000 21.214) 21.244 7.960 ( 3.529 0.000 3.483) 4.958 8.087 ( 1.901 0.000 1.286) 2.296 8.176 ( 3.443 0.000 -4.605) 5.750 8.507 ( 6.734 0.000 3.529) 7.602 8.662 ( -6.594 0.000 21.701) 22.680 8.813 ( -15.777 0.000 0.550) 15.786 8.985 ( 6.908 0.000 3.340) 7.673 9.190 ( -15.823 0.000 -3.143) 16.132 9.318 ( -6.461 0.000 14.968) 16.303 9.890 ( 10.756 0.000 5.407) 12.038 10.089 ( 8.146 0.000 -10.015) 12.910 10.285 ( -0.035 0.000 -7.473) 7.473 10.708 ( -7.394 0.000 -0.513) 7.412 10.897 ( 3.145 0.000 4.200) 5.247 11.140 ( 0.684 0.000 0.826) 1.072 11.324 ( -1.401 0.000 5.313) 5.494 11.325 ( 0.394 0.000 -1.027) 1.100 12.025 ( 7.719 0.000 -8.632) 11.580 12.198 ( 5.136 0.000 11.446) 12.545 12.486 ( 4.460 0.000 -3.396) 5.606 12.504 ( 4.058 0.000 18.990) 19.418 12.717 ( 1.752 0.000 17.827) 17.913 12.825 ( 9.884 0.000 12.622) 16.032 12.984 ( 4.819 0.000 -8.775) 10.012 13.072 ( -2.407 0.000 -6.169) 6.622 13.152 ( 8.320 0.000 -3.653) 9.087 13.451 ( -10.808 0.000 6.067) 12.394 13.543 ( 3.885 0.000 7.462) 8.413 13.567 ( -11.205 0.000 -2.325) 11.444 14.038 ( 1.330 0.000 -7.899) 8.010 14.113 ( 1.360 0.000 -2.093) 2.496 14.292 ( 0.713 0.000 -30.707) 30.715 14.504 ( -2.973 0.000 -6.751) 7.376 14.761 ( 6.232 0.000 -12.516) 13.982 14.936 ( -5.121 0.000 1.072) 5.232 15.074 ( -6.714 0.000 13.863) 15.403 15.075 ( 1.063 0.000 -9.774) 9.832 15.717 ( -8.386 0.000 8.488) 11.932 15.723 ( -12.778 0.000 -6.441) 14.310 16.006 ( -3.021 0.000 -13.940) 14.264 16.079 ( 1.140 0.000 0.032) 1.141 16.241 ( 15.018 0.000 -10.309) 18.216 16.759 ( -0.824 0.000 5.113) 5.179 17.699 ( -0.768 0.000 -15.154) 15.173 17.807 ( 4.338 0.000 1.820) 4.704 17.913 ( -2.721 0.000 -23.695) 23.850 17.984 ( -2.123 0.000 1.002) 2.348 18.126 ( 1.421 0.000 8.421) 8.540 18.294 ( -5.031 0.000 1.729) 5.320 18.677 ( 5.929 0.000 8.827) 10.633 18.984 ( -2.958 0.000 8.607) 9.101 21.015 ( 4.621 0.000 3.117) 5.574 21.326 ( -0.159 0.000 8.598) 8.599 21.566 ( -1.665 0.000 12.552) 12.662 21.682 ( -14.606 0.000 3.007) 14.912 22.021 ( 12.532 0.000 5.105) 13.532 22.344 ( -1.730 0.000 -0.786) 1.900 22.406 ( -1.702 0.000 -7.092) 7.294 23.092 ( 11.993 0.000 -6.292) 13.543 23.127 ( -6.390 0.000 11.027) 12.745 23.701 ( -16.121 0.000 -6.595) 17.418 25.181 ( 5.441 0.000 -2.743) 6.093 25.592 ( -6.837 0.000 -1.787) 7.067 27.623 ( 3.205 0.000 -2.111) 3.838 27.701 ( 1.408 0.000 -4.797) 4.999 ======================= Grid point 150 (52/80) ======================= q-point: ( 0.43 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 3.338 0.000 3.502) 4.839 1.903 ( 0.556 0.000 0.390) 0.679 2.007 ( 2.337 0.000 7.672) 8.020 2.016 ( 1.560 0.000 4.618) 4.875 2.438 ( 2.081 0.000 5.258) 5.655 2.440 ( 1.682 0.000 0.135) 1.688 2.470 ( -0.566 0.000 -2.814) 2.870 2.508 ( -4.631 0.000 1.287) 4.806 3.035 ( 2.417 0.000 -3.361) 4.140 3.081 ( -2.501 0.000 -1.504) 2.919 3.725 ( 4.294 0.000 -1.325) 4.493 3.800 ( -3.843 0.000 -1.304) 4.058 4.184 ( 5.352 0.000 2.506) 5.909 4.349 ( -12.249 0.000 8.404) 14.854 4.862 ( 3.425 0.000 -2.025) 3.979 4.883 ( 1.479 0.000 -1.034) 1.805 5.399 ( 15.904 0.000 -5.908) 16.966 5.581 ( 0.258 0.000 -4.375) 4.382 6.217 ( -2.370 0.000 18.544) 18.695 6.338 ( -10.275 0.000 16.518) 19.453 6.782 ( -0.124 0.000 7.139) 7.140 6.827 ( -2.501 0.000 5.760) 6.280 7.570 ( 7.845 0.000 4.134) 8.868 7.706 ( -3.671 0.000 11.416) 11.991 7.840 ( 6.987 0.000 19.577) 20.787 7.956 ( -4.022 0.000 14.823) 15.359 8.144 ( 3.539 0.000 -4.745) 5.920 8.199 ( -1.363 0.000 -5.930) 6.085 8.566 ( -2.981 0.000 16.642) 16.907 8.587 ( -6.505 0.000 4.215) 7.751 8.673 ( 10.610 0.000 -0.046) 10.610 8.905 ( -13.993 0.000 -2.388) 14.195 9.111 ( 5.776 0.000 10.016) 11.562 9.211 ( -5.276 0.000 15.071) 15.968 10.068 ( 8.117 0.000 1.856) 8.326 10.172 ( -1.820 0.000 -7.361) 7.583 10.339 ( 8.190 0.000 -2.199) 8.480 10.531 ( -10.839 0.000 -1.919) 11.008 10.923 ( 2.083 0.000 3.955) 4.470 11.016 ( -7.655 0.000 -0.354) 7.664 11.367 ( 3.784 0.000 -1.575) 4.098 11.402 ( 1.386 0.000 -1.603) 2.119 12.175 ( 6.371 0.000 -1.898) 6.648 12.236 ( -0.590 0.000 4.939) 4.974 12.600 ( 5.359 0.000 18.685) 19.438 12.623 ( 8.719 0.000 3.569) 9.421 12.730 ( 2.663 0.000 8.563) 8.967 12.922 ( -4.419 0.000 -1.385) 4.631 13.038 ( 2.620 0.000 -0.880) 2.764 13.129 ( 6.927 0.000 -6.540) 9.526 13.144 ( -11.443 0.000 -0.286) 11.446 13.256 ( -4.655 0.000 1.099) 4.783 13.456 ( 1.729 0.000 4.797) 5.099 13.547 ( -3.974 0.000 6.005) 7.201 14.126 ( 5.963 0.000 -2.321) 6.399 14.163 ( 2.070 0.000 -1.039) 2.316 14.317 ( 3.023 0.000 -20.598) 20.819 14.416 ( -6.009 0.000 -5.671) 8.262 14.801 ( -2.086 0.000 -0.359) 2.117 14.811 ( -5.055 0.000 1.481) 5.267 15.087 ( 7.960 0.000 -2.081) 8.227 15.150 ( 4.141 0.000 -16.242) 16.761 15.490 ( -11.256 0.000 4.332) 12.061 15.494 ( -10.148 0.000 -6.869) 12.254 16.005 ( 2.687 0.000 -12.352) 12.640 16.064 ( -2.604 0.000 -6.686) 7.175 16.545 ( 13.963 0.000 -1.409) 14.034 16.716 ( -4.741 0.000 4.296) 6.398 17.717 ( 3.296 0.000 -19.363) 19.641 17.820 ( -6.676 0.000 -23.505) 24.435 17.884 ( 3.747 0.000 1.785) 4.150 17.942 ( -2.493 0.000 2.146) 3.289 18.158 ( 2.003 0.000 5.365) 5.727 18.208 ( -3.651 0.000 2.494) 4.421 18.800 ( 6.608 0.000 10.101) 12.070 18.910 ( -5.023 0.000 9.592) 10.828 21.122 ( 6.902 0.000 4.704) 8.353 21.260 ( -6.955 0.000 6.803) 9.729 21.529 ( -2.160 0.000 6.920) 7.249 21.534 ( -1.520 0.000 10.388) 10.499 22.249 ( 7.933 0.000 0.817) 7.975 22.312 ( -1.702 0.000 -2.367) 2.915 22.460 ( 11.438 0.000 3.174) 11.871 22.813 ( -22.160 0.000 13.295) 25.842 23.312 ( 11.192 0.000 -7.386) 13.409 23.497 ( -8.816 0.000 -9.254) 12.781 25.306 ( 7.646 0.000 -3.502) 8.410 25.453 ( -7.876 0.000 -2.832) 8.369 27.678 ( 2.483 0.000 -3.095) 3.968 27.708 ( -0.676 0.000 -4.209) 4.263 ======================= Grid point 154 (53/80) ======================= q-point: ( 0.00 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.610 ( 0.000 6.126 -2.378) 6.572 1.621 ( 0.000 5.778 18.471) 19.353 1.785 ( 0.000 -9.059 10.837) 14.125 2.122 ( 0.000 -7.408 11.155) 13.390 2.229 ( 0.000 9.883 -1.747) 10.036 2.328 ( 0.000 2.091 6.633) 6.955 2.545 ( 0.000 1.142 0.285) 1.177 2.879 ( 0.000 7.916 4.378) 9.046 2.966 ( 0.000 -2.344 1.030) 2.561 3.202 ( 0.000 -3.865 -0.585) 3.909 3.439 ( 0.000 -7.082 -1.665) 7.275 3.850 ( 0.000 -11.016 -1.100) 11.071 4.091 ( 0.000 -6.778 -7.637) 10.211 4.627 ( 0.000 -7.728 7.963) 11.097 4.709 ( 0.000 3.884 -0.544) 3.922 4.807 ( 0.000 -7.959 3.415) 8.661 5.089 ( 0.000 10.004 -3.807) 10.704 5.292 ( 0.000 13.308 -5.070) 14.241 6.161 ( 0.000 4.045 -9.825) 10.625 6.518 ( 0.000 -1.154 23.943) 23.971 6.605 ( 0.000 2.077 37.505) 37.562 7.025 ( 0.000 -4.925 3.153) 5.848 7.462 ( 0.000 -6.728 5.753) 8.853 7.553 ( 0.000 -10.096 -9.455) 13.832 7.871 ( 0.000 1.952 16.373) 16.489 8.037 ( 0.000 6.901 5.245) 8.668 8.204 ( 0.000 11.036 1.557) 11.145 8.256 ( 0.000 -5.557 5.932) 8.128 8.498 ( 0.000 8.700 -5.717) 10.410 8.660 ( 0.000 5.106 23.748) 24.290 8.987 ( 0.000 8.349 -10.707) 13.577 9.333 ( 0.000 -1.131 23.671) 23.698 9.446 ( 0.000 -6.459 1.574) 6.648 9.514 ( 0.000 1.190 1.384) 1.825 9.844 ( 0.000 4.057 1.432) 4.303 9.850 ( 0.000 4.538 -2.458) 5.161 10.208 ( 0.000 -4.859 -14.099) 14.913 10.648 ( 0.000 1.172 -4.574) 4.722 10.771 ( 0.000 2.982 -5.092) 5.901 10.916 ( 0.000 3.028 2.445) 3.891 11.316 ( 0.000 -24.078 11.449) 26.661 11.346 ( 0.000 -16.492 -0.330) 16.495 11.942 ( 0.000 11.773 11.234) 16.273 12.223 ( 0.000 -18.877 -17.405) 25.676 12.342 ( 0.000 19.827 17.136) 26.206 12.462 ( 0.000 4.921 17.968) 18.629 12.486 ( 0.000 6.721 -1.180) 6.824 12.537 ( 0.000 -12.881 2.891) 13.201 12.655 ( 0.000 -0.532 21.847) 21.854 13.234 ( 0.000 19.651 -20.533) 28.421 13.327 ( 0.000 7.367 15.278) 16.961 13.427 ( 0.000 -5.065 -1.726) 5.351 13.627 ( 0.000 1.903 10.621) 10.790 13.666 ( 0.000 -12.911 -10.489) 16.635 14.105 ( 0.000 -0.343 1.475) 1.515 14.242 ( 0.000 1.808 -40.789) 40.829 14.386 ( 0.000 -0.919 -4.304) 4.401 14.589 ( 0.000 19.092 -15.001) 24.280 14.603 ( 0.000 8.812 -2.185) 9.079 15.168 ( 0.000 13.526 -6.254) 14.902 15.223 ( 0.000 -6.754 9.722) 11.837 15.397 ( 0.000 9.868 8.961) 13.329 15.496 ( 0.000 4.471 -4.791) 6.553 15.773 ( 0.000 -16.634 -0.091) 16.634 15.991 ( 0.000 -1.979 -7.568) 7.822 16.043 ( 0.000 2.142 0.878) 2.315 16.405 ( 0.000 1.116 -4.275) 4.418 16.655 ( 0.000 -9.775 -0.874) 9.814 17.710 ( 0.000 -1.803 -12.368) 12.499 17.727 ( 0.000 1.038 -1.522) 1.842 17.777 ( 0.000 -10.538 -14.173) 17.661 17.979 ( 0.000 -3.323 -0.574) 3.372 18.185 ( 0.000 4.350 0.698) 4.405 18.325 ( 0.000 -1.729 7.677) 7.869 18.624 ( 0.000 1.775 2.154) 2.791 19.007 ( 0.000 -2.649 7.351) 7.814 20.988 ( 0.000 5.230 1.388) 5.411 21.299 ( 0.000 -0.116 6.445) 6.446 21.602 ( 0.000 -0.042 15.420) 15.420 21.770 ( 0.000 -0.422 3.707) 3.731 22.362 ( 0.000 1.372 -1.777) 2.245 22.396 ( 0.000 -3.282 -3.931) 5.121 22.491 ( 0.000 0.354 -4.396) 4.410 22.781 ( 0.000 -0.218 -1.511) 1.526 22.786 ( 0.000 5.611 -5.904) 8.145 24.039 ( 0.000 -17.896 6.242) 18.953 25.145 ( 0.000 4.116 -0.500) 4.147 25.694 ( 0.000 -4.149 -0.785) 4.223 27.608 ( 0.000 4.909 -3.847) 6.236 27.656 ( 0.000 1.558 -3.314) 3.662 ======================= Grid point 155 (54/80) ======================= q-point: ( 0.14 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.643 ( 5.078 1.088 4.939) 7.167 1.705 ( 5.988 5.293 11.708) 14.175 1.833 ( 5.152 -4.505 8.076) 10.586 2.144 ( 1.357 -3.203 8.295) 8.995 2.238 ( 1.701 6.717 1.820) 7.164 2.347 ( 2.117 1.294 4.344) 5.003 2.520 ( -2.488 -0.234 -0.550) 2.559 2.807 ( -7.240 4.549 4.229) 9.539 2.966 ( 0.453 -0.508 -0.977) 1.191 3.179 ( -2.293 -2.692 0.129) 3.539 3.489 ( 4.615 -6.432 -2.105) 8.191 3.833 ( -1.623 -9.798 -1.239) 10.008 4.073 ( -1.737 -6.993 -6.764) 9.883 4.567 ( -7.168 -15.273 11.093) 20.192 4.741 ( 3.913 3.760 -1.467) 5.622 4.872 ( 6.319 -2.009 -1.229) 6.744 5.056 ( -0.606 14.287 -4.081) 14.871 5.375 ( 6.957 11.128 -4.370) 13.832 6.272 ( 10.569 2.235 -3.637) 11.398 6.517 ( -3.715 -2.172 30.929) 31.227 6.579 ( 1.877 2.441 23.527) 23.727 7.038 ( -0.296 0.983 3.183) 3.344 7.492 ( 2.683 -10.499 13.931) 17.649 7.567 ( 1.181 -8.072 -6.333) 10.328 7.821 ( -10.999 -2.748 4.999) 12.390 7.911 ( -4.459 -3.470 10.794) 12.184 8.151 ( -4.197 1.304 1.751) 4.730 8.293 ( 4.950 16.741 0.332) 17.461 8.538 ( 2.410 8.849 1.467) 9.288 8.728 ( 2.032 2.710 18.177) 18.490 8.940 ( -0.088 7.107 -4.173) 8.242 9.243 ( -6.637 3.115 15.026) 16.719 9.389 ( -13.373 5.227 0.276) 14.361 9.544 ( -4.300 -6.462 8.550) 11.548 9.680 ( 5.716 1.466 -0.900) 5.969 9.997 ( 4.497 6.485 -2.161) 8.182 10.219 ( 2.759 -5.919 -11.383) 13.123 10.704 ( -0.196 -4.981 -6.203) 7.958 10.788 ( -1.796 -0.943 5.307) 5.681 10.944 ( 9.824 -0.937 -1.264) 9.949 11.241 ( 1.031 -5.585 -2.839) 6.349 11.562 ( 12.529 -20.289 6.324) 24.670 11.801 ( -13.028 13.735 15.511) 24.474 12.228 ( 2.832 -12.642 -8.490) 15.489 12.335 ( -1.405 8.993 8.585) 12.512 12.501 ( 4.455 -3.982 8.663) 10.524 12.569 ( 6.286 13.550 -0.887) 14.964 12.607 ( 5.157 -8.840 11.219) 15.186 12.686 ( 4.262 -4.570 15.491) 16.704 13.238 ( 1.006 11.487 -13.205) 17.531 13.371 ( -0.601 12.922 11.723) 17.458 13.389 ( -0.470 -6.336 0.228) 6.358 13.605 ( -2.554 2.188 8.553) 9.190 13.620 ( -4.492 -9.873 -9.775) 14.602 14.083 ( -0.280 2.139 -5.192) 5.622 14.265 ( 0.448 3.768 -30.902) 31.134 14.324 ( -4.796 6.844 -10.145) 13.144 14.506 ( -0.800 -1.561 -5.547) 5.818 14.710 ( 2.653 12.198 -9.527) 15.704 15.020 ( -11.039 -1.165 5.534) 12.403 15.190 ( -3.492 5.535 1.112) 6.638 15.377 ( -1.454 13.994 1.833) 14.188 15.672 ( 11.847 0.583 -0.310) 11.866 15.742 ( -7.640 -16.848 3.996) 18.926 15.967 ( 3.999 0.606 -13.185) 13.791 16.019 ( -2.393 1.972 -1.327) 3.373 16.361 ( -3.602 3.799 -4.649) 7.002 16.688 ( 2.651 -7.072 1.509) 7.702 17.691 ( -1.023 -2.671 -13.238) 13.544 17.751 ( 2.228 1.399 0.728) 2.730 17.831 ( 4.366 -7.414 -16.793) 18.869 17.976 ( -0.224 -3.300 -0.132) 3.310 18.159 ( -2.645 3.197 2.303) 4.746 18.329 ( -0.206 -2.029 4.700) 5.123 18.616 ( -0.152 1.088 3.980) 4.129 18.994 ( -1.468 -2.818 7.503) 8.148 21.006 ( 1.895 4.881 1.971) 5.595 21.307 ( 0.761 -0.471 6.755) 6.814 21.591 ( -1.106 0.079 14.555) 14.597 21.808 ( 2.307 -2.541 5.427) 6.421 22.070 ( -16.995 2.867 -0.702) 17.249 22.350 ( -2.337 -2.439 -5.773) 6.689 22.515 ( -2.589 5.141 -2.034) 6.105 22.893 ( 10.042 0.707 -4.248) 10.926 23.002 ( 14.233 -0.565 -1.325) 14.305 23.887 ( -14.660 -15.296 3.685) 21.505 25.152 ( 1.075 3.668 -0.904) 3.927 25.658 ( -3.781 -3.747 -1.099) 5.435 27.609 ( 0.682 3.229 -2.607) 4.205 27.684 ( 2.088 1.758 -4.660) 5.401 ======================= Grid point 156 (55/80) ======================= q-point: ( 0.29 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.764 ( 6.574 -4.897 6.015) 10.168 1.816 ( 6.002 4.171 6.859) 10.023 1.955 ( 7.023 2.380 7.184) 10.324 2.138 ( -1.509 5.756 4.135) 7.246 2.311 ( 5.062 -1.207 5.006) 7.221 2.396 ( 2.419 0.247 1.634) 2.930 2.467 ( -2.582 -2.552 -0.789) 3.715 2.649 ( -8.826 1.633 1.249) 9.063 2.983 ( 1.419 -0.694 -2.100) 2.628 3.127 ( -3.097 -1.233 0.594) 3.386 3.584 ( 5.176 -5.465 -2.089) 7.812 3.796 ( -2.337 -7.362 -1.354) 7.842 4.044 ( -0.732 -7.619 -4.372) 8.815 4.383 ( -11.276 -16.801 10.262) 22.688 4.841 ( 6.164 4.550 -3.901) 8.597 4.973 ( 2.946 9.766 -3.993) 10.955 5.159 ( 12.298 6.121 -3.823) 14.259 5.509 ( 6.910 7.374 -3.623) 10.736 6.394 ( -6.930 2.376 26.832) 27.814 6.439 ( 2.062 0.527 14.599) 14.753 6.696 ( 9.009 -3.114 6.840) 11.732 6.968 ( -6.163 7.488 4.743) 10.796 7.444 ( -12.115 -8.680 0.559) 14.914 7.581 ( 2.285 -12.434 14.844) 19.498 7.675 ( 1.302 -7.364 15.368) 17.090 7.886 ( 2.121 -6.384 1.024) 6.804 8.156 ( 3.156 3.043 1.082) 4.516 8.362 ( 2.553 15.891 -4.097) 16.608 8.602 ( 4.217 9.864 5.491) 12.051 8.663 ( -4.866 4.232 5.593) 8.537 9.015 ( 0.670 6.628 18.226) 19.405 9.041 ( -17.658 6.940 -5.148) 19.658 9.145 ( -3.987 4.338 11.699) 13.099 9.415 ( -5.971 1.982 9.251) 11.187 9.897 ( 12.280 0.681 1.627) 12.406 10.070 ( 5.073 -0.153 -6.377) 8.150 10.287 ( 2.364 -0.440 -5.339) 5.855 10.576 ( -8.375 -10.524 -1.113) 13.496 10.813 ( 1.586 -5.725 2.318) 6.377 11.119 ( 5.101 0.366 -3.041) 5.950 11.365 ( 9.747 4.475 -1.910) 10.894 11.554 ( -10.806 14.702 10.949) 21.279 11.762 ( 9.880 -18.038 0.564) 20.574 12.297 ( -0.699 4.332 7.622) 8.795 12.330 ( 5.372 -13.844 6.494) 16.208 12.610 ( 2.630 -2.769 18.189) 18.586 12.636 ( 3.937 4.057 -11.467) 12.785 12.701 ( 6.648 -6.623 15.449) 18.076 12.830 ( 8.960 -2.993 -0.506) 9.460 13.179 ( -10.673 -6.670 -2.228) 12.782 13.331 ( 0.410 5.222 -13.461) 14.444 13.408 ( 0.436 3.822 14.628) 15.126 13.532 ( -4.353 4.713 4.832) 8.032 13.548 ( -1.909 0.385 -4.204) 4.633 14.125 ( 2.943 5.417 -10.849) 12.479 14.209 ( -2.062 8.962 -4.013) 10.034 14.313 ( 0.910 1.641 -27.216) 27.281 14.508 ( -1.456 -6.839 -2.015) 7.277 14.720 ( 1.342 4.800 -9.890) 11.075 14.831 ( -7.839 -3.541 1.944) 8.818 15.086 ( -7.672 3.592 6.658) 10.774 15.351 ( -4.610 9.023 -6.665) 12.128 15.516 ( -9.455 -6.140 2.460) 11.539 15.827 ( 3.992 1.553 -4.239) 6.026 15.939 ( -4.378 1.611 -5.912) 7.531 16.152 ( 6.683 1.000 -4.964) 8.384 16.355 ( 7.395 8.168 -6.718) 12.905 16.728 ( 1.369 -2.833 4.214) 5.259 17.680 ( 0.071 -1.387 -13.979) 14.048 17.802 ( 2.852 -0.053 -0.027) 2.853 17.893 ( 1.201 -1.983 -17.981) 18.130 17.974 ( -0.278 -1.527 -3.322) 3.666 18.101 ( -2.535 -1.444 7.531) 8.077 18.292 ( -3.858 -0.526 0.056) 3.894 18.651 ( 4.172 -1.980 7.980) 9.220 18.949 ( -3.392 -3.370 8.027) 9.343 21.059 ( 3.828 3.905 3.310) 6.392 21.317 ( -0.200 -0.917 7.480) 7.539 21.563 ( -1.772 -0.049 12.761) 12.883 21.670 ( -12.348 -1.132 4.806) 13.298 22.042 ( 10.052 1.996 3.303) 10.767 22.318 ( -0.635 -2.452 -4.455) 5.125 22.450 ( -3.702 4.287 -1.588) 5.883 23.084 ( -4.266 -3.434 9.342) 10.829 23.117 ( 8.560 1.632 -4.365) 9.747 23.619 ( -9.995 -7.300 -7.666) 14.559 25.197 ( 3.942 1.736 -2.130) 4.805 25.560 ( -6.495 -3.045 -1.773) 7.389 27.638 ( 2.254 1.427 -2.247) 3.488 27.713 ( 0.871 0.939 -4.946) 5.109 ======================= Grid point 157 (56/80) ======================= q-point: ( 0.43 0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.865 ( 4.129 -2.682 4.651) 6.773 1.898 ( 1.424 1.806 4.504) 5.057 2.066 ( 4.331 4.538 6.074) 8.732 2.111 ( -1.223 6.229 3.829) 7.414 2.384 ( 2.354 -2.279 4.187) 5.316 2.408 ( -0.770 -1.805 2.316) 3.035 2.454 ( 1.195 -1.648 -0.912) 2.231 2.509 ( -5.437 -0.395 -1.248) 5.592 3.019 ( 2.428 -1.538 -1.876) 3.432 3.070 ( -2.932 -1.367 -0.435) 3.264 3.673 ( 4.371 -4.925 -1.488) 6.751 3.745 ( -3.264 -5.440 -1.256) 6.467 4.068 ( 3.754 -9.346 -0.050) 10.071 4.188 ( -8.953 -12.776 5.488) 16.537 4.946 ( 4.556 6.534 -4.634) 9.216 4.995 ( -0.568 9.504 -3.830) 10.262 5.435 ( 14.762 3.317 -4.184) 15.698 5.594 ( -0.294 2.626 -3.770) 4.604 6.271 ( -2.785 4.742 18.138) 18.954 6.357 ( -8.943 1.510 15.696) 18.128 6.799 ( 2.660 1.313 6.768) 7.390 6.868 ( -4.718 3.798 7.104) 9.335 7.370 ( 4.636 -13.424 7.632) 16.123 7.494 ( -6.848 -13.734 12.240) 19.630 7.826 ( 8.641 -7.158 17.639) 20.906 7.924 ( -0.967 -5.321 6.806) 8.694 8.260 ( 8.711 6.859 -2.462) 11.357 8.384 ( -1.574 15.798 -3.020) 16.161 8.583 ( -0.598 4.352 -2.842) 5.232 8.707 ( -13.437 0.153 -1.960) 13.580 8.728 ( 6.146 10.493 13.844) 18.426 8.889 ( -9.563 6.243 12.252) 16.750 9.213 ( 5.837 8.002 13.562) 16.793 9.316 ( -5.205 6.332 13.249) 15.580 10.100 ( 9.308 2.072 0.105) 9.536 10.194 ( 5.008 -0.160 -9.396) 10.649 10.274 ( -0.483 -4.135 3.253) 5.283 10.418 ( -9.417 -8.892 -3.064) 13.309 10.888 ( 7.713 -0.252 1.895) 7.946 11.069 ( -9.391 3.985 1.690) 10.340 11.439 ( 2.317 6.260 -1.518) 6.846 11.491 ( -1.329 8.144 -1.944) 8.478 12.006 ( 15.543 -15.079 3.443) 21.927 12.228 ( -6.996 -2.101 7.379) 10.383 12.470 ( 8.023 -12.056 15.065) 20.897 12.591 ( -4.117 -6.914 18.154) 19.858 12.700 ( 5.393 -1.712 -4.423) 7.182 12.851 ( 1.776 -9.434 5.977) 11.308 12.928 ( -8.535 -3.294 -5.719) 10.789 12.947 ( 1.831 -0.369 -1.565) 2.437 13.326 ( 0.541 2.628 -8.956) 9.350 13.383 ( -4.430 -1.962 -1.047) 4.957 13.514 ( 3.127 12.298 4.387) 13.426 13.551 ( 0.175 4.085 3.269) 5.235 14.148 ( 2.479 3.124 -7.230) 8.257 14.212 ( -1.599 2.430 -2.901) 4.108 14.335 ( 1.893 2.413 -20.373) 20.603 14.409 ( -6.578 -0.637 -5.937) 8.884 14.787 ( 3.391 0.270 -0.538) 3.444 14.835 ( 8.901 -3.045 -9.710) 13.520 14.930 ( -6.670 -0.706 7.198) 9.838 15.110 ( -15.690 -9.490 -3.865) 18.740 15.545 ( 7.633 12.428 -4.670) 15.314 15.720 ( -10.163 10.411 -3.686) 15.008 16.008 ( 7.321 0.688 -9.191) 11.770 16.132 ( -5.222 2.623 -6.038) 8.402 16.586 ( 11.741 4.279 -0.815) 12.523 16.721 ( -2.949 0.773 3.940) 4.982 17.711 ( 3.796 -0.428 -16.608) 17.042 17.807 ( -4.424 -1.066 -15.396) 16.054 17.895 ( 1.419 0.656 -3.347) 3.694 17.937 ( -2.704 0.478 -0.474) 2.787 18.120 ( 3.888 -3.199 4.093) 6.489 18.206 ( -4.904 -0.430 0.001) 4.922 18.755 ( 6.304 -4.054 9.296) 11.941 18.867 ( -5.424 -4.075 8.849) 11.150 21.150 ( 5.895 2.456 4.795) 7.986 21.266 ( -5.601 0.421 6.603) 8.669 21.526 ( -2.288 -0.256 7.194) 7.553 21.530 ( -1.819 -0.378 10.049) 10.219 22.248 ( 7.926 -0.041 0.667) 7.954 22.322 ( -1.077 0.744 -1.266) 1.822 22.447 ( 8.929 -0.953 2.823) 9.413 22.770 ( -21.032 -4.027 12.269) 24.679 23.334 ( 10.837 2.103 -7.885) 13.566 23.497 ( -6.455 -0.098 -9.777) 11.716 25.296 ( 6.510 -0.764 -2.900) 7.167 25.428 ( -7.381 -2.282 -2.555) 8.138 27.682 ( 2.217 0.446 -2.897) 3.675 27.713 ( -0.919 0.325 -4.016) 4.133 ======================= Grid point 161 (57/80) ======================= q-point: ( 0.00 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.622 ( 0.000 -1.759 2.271) 2.873 1.754 ( 0.000 4.263 14.255) 14.879 1.855 ( 0.000 13.334 2.848) 13.635 1.974 ( 0.000 -4.136 7.270) 8.364 2.298 ( 0.000 -5.024 5.980) 7.810 2.327 ( 0.000 -2.884 2.443) 3.779 2.624 ( 0.000 6.422 3.893) 7.510 2.942 ( 0.000 5.907 -7.176) 9.294 3.034 ( 0.000 -13.460 0.754) 13.481 3.100 ( 0.000 9.243 -0.174) 9.245 3.292 ( 0.000 -5.043 1.307) 5.210 3.551 ( 0.000 -16.096 -4.361) 16.676 4.007 ( 0.000 -1.360 -2.767) 3.083 4.289 ( 0.000 -16.869 9.511) 19.365 4.749 ( 0.000 -0.246 -0.520) 0.575 4.751 ( 0.000 0.556 -0.878) 1.039 5.485 ( 0.000 23.304 -5.199) 23.877 5.657 ( 0.000 19.917 -3.924) 20.300 6.224 ( 0.000 -0.648 -5.206) 5.247 6.405 ( 0.000 -9.523 18.179) 20.522 6.731 ( 0.000 9.359 32.374) 33.699 6.927 ( 0.000 -1.417 11.046) 11.137 7.275 ( 0.000 -11.401 10.035) 15.189 7.354 ( 0.000 -9.885 3.328) 10.431 7.841 ( 0.000 -4.354 6.306) 7.663 7.929 ( 0.000 -14.451 -3.882) 14.963 8.272 ( 0.000 17.119 3.375) 17.448 8.562 ( 0.000 16.386 4.749) 17.061 8.729 ( 0.000 10.875 8.229) 13.638 8.875 ( 0.000 15.608 10.386) 18.748 9.128 ( 0.000 -8.256 13.159) 15.535 9.234 ( 0.000 -3.845 -4.851) 6.190 9.281 ( 0.000 -8.862 6.995) 11.290 9.407 ( 0.000 -10.033 10.531) 14.546 9.917 ( 0.000 5.280 1.914) 5.616 9.919 ( 0.000 3.032 1.383) 3.333 10.230 ( 0.000 6.874 -15.059) 16.554 10.665 ( 0.000 0.105 -5.628) 5.629 10.858 ( 0.000 5.307 -5.257) 7.470 10.859 ( 0.000 -20.440 5.985) 21.298 10.878 ( 0.000 -11.430 4.901) 12.437 11.074 ( 0.000 -5.935 -6.693) 8.945 12.057 ( 0.000 3.234 -17.419) 17.717 12.159 ( 0.000 9.696 8.286) 12.754 12.249 ( 0.000 -10.692 -16.205) 19.415 12.459 ( 0.000 1.144 21.776) 21.806 12.523 ( 0.000 -1.164 31.640) 31.661 12.793 ( 0.000 14.592 -3.089) 14.915 12.796 ( 0.000 6.282 12.707) 14.175 13.128 ( 0.000 -15.840 0.508) 15.848 13.441 ( 0.000 -3.535 -8.096) 8.834 13.524 ( 0.000 4.043 -9.860) 10.657 13.613 ( 0.000 10.967 19.520) 22.390 13.679 ( 0.000 7.010 5.777) 9.084 14.160 ( 0.000 7.852 -2.392) 8.209 14.286 ( 0.000 2.126 -34.723) 34.788 14.395 ( 0.000 0.397 0.769) 0.865 14.793 ( 0.000 9.886 0.049) 9.886 14.957 ( 0.000 -12.949 3.463) 13.404 14.988 ( 0.000 9.624 -8.480) 12.827 15.405 ( 0.000 8.477 3.472) 9.160 15.471 ( 0.000 -10.454 9.453) 14.094 15.606 ( 0.000 8.725 -2.208) 9.000 15.694 ( 0.000 13.518 -3.589) 13.986 15.949 ( 0.000 -2.001 -12.051) 12.216 16.018 ( 0.000 -6.056 -1.904) 6.349 16.340 ( 0.000 -5.540 -5.077) 7.515 16.421 ( 0.000 -11.388 -6.430) 13.078 17.583 ( 0.000 -4.933 -21.295) 21.859 17.677 ( 0.000 -2.282 -12.827) 13.028 17.778 ( 0.000 1.988 1.947) 2.783 17.879 ( 0.000 -5.290 -3.377) 6.276 18.247 ( 0.000 1.950 -0.427) 1.997 18.295 ( 0.000 -1.101 5.473) 5.583 18.687 ( 0.000 4.502 2.833) 5.320 18.925 ( 0.000 -5.268 6.310) 8.220 21.107 ( 0.000 5.766 2.151) 6.154 21.277 ( 0.000 -2.192 4.176) 4.717 21.625 ( 0.000 2.495 15.160) 15.364 21.749 ( 0.000 -1.876 7.373) 7.608 22.325 ( 0.000 -2.968 -4.875) 5.707 22.331 ( 0.000 -2.718 -8.885) 9.292 22.587 ( 0.000 6.887 5.989) 9.126 22.765 ( 0.000 -1.614 -0.280) 1.638 22.938 ( 0.000 9.824 -4.598) 10.847 23.614 ( 0.000 -21.660 8.125) 23.134 25.261 ( 0.000 7.030 -0.488) 7.047 25.577 ( 0.000 -7.060 -0.649) 7.090 27.694 ( 0.000 1.908 -4.202) 4.615 27.696 ( 0.000 2.937 -6.008) 6.687 ======================= Grid point 162 (58/80) ======================= q-point: ( 0.14 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.600 ( 0.288 -1.247 7.373) 7.484 1.834 ( 4.726 -1.672 8.263) 9.664 1.894 ( 4.913 11.888 4.259) 13.550 2.035 ( 5.973 -0.887 6.899) 9.168 2.321 ( 1.653 -5.052 4.715) 7.105 2.330 ( 0.940 -2.211 3.637) 4.359 2.584 ( -3.838 7.629 0.638) 8.564 2.863 ( -6.741 3.101 -5.416) 9.186 3.038 ( -3.927 1.929 2.641) 5.111 3.066 ( 0.359 -5.424 -0.113) 5.437 3.352 ( 5.183 -4.434 -1.301) 6.943 3.566 ( 1.393 -14.148 -4.396) 14.880 3.975 ( -2.878 -2.194 -2.726) 4.531 4.208 ( -7.365 -15.482 8.646) 19.201 4.794 ( 5.417 1.705 -2.688) 6.283 4.850 ( 8.819 -1.026 -1.547) 9.012 5.460 ( -1.654 22.625 -5.094) 23.250 5.709 ( 3.738 18.488 -3.159) 19.125 6.292 ( 7.006 -2.896 -2.708) 8.050 6.394 ( -0.653 -8.023 16.242) 18.127 6.691 ( -2.871 7.820 30.677) 31.788 7.055 ( 10.899 0.581 11.926) 16.167 7.236 ( -5.021 -13.011 16.892) 21.905 7.387 ( 4.746 -9.606 0.164) 10.715 7.733 ( -16.851 -4.274 -1.133) 17.421 7.807 ( -4.368 -5.905 7.426) 10.445 8.219 ( -3.137 9.151 -3.236) 10.201 8.671 ( 3.614 16.815 0.164) 17.200 8.743 ( 2.416 10.201 11.659) 15.679 8.935 ( 1.966 14.904 5.995) 16.185 8.972 ( -3.525 -7.384 5.257) 9.726 9.224 ( -0.993 -1.776 5.363) 5.736 9.295 ( -1.489 -11.901 19.056) 22.516 9.583 ( 14.015 -3.700 0.529) 14.505 9.710 ( -15.207 11.470 4.286) 19.524 10.050 ( 8.970 -3.381 3.491) 10.202 10.183 ( -2.439 4.181 -13.393) 14.241 10.560 ( -13.907 -10.735 -4.671) 18.179 10.685 ( 0.520 -3.008 1.115) 3.249 11.005 ( 11.125 2.832 -4.161) 12.210 11.094 ( 9.406 -13.630 1.212) 16.605 11.247 ( 16.755 -5.845 0.324) 17.749 11.997 ( -8.829 8.173 1.011) 12.074 12.113 ( -1.599 4.798 -3.847) 6.354 12.333 ( 7.694 -8.593 -13.559) 17.801 12.462 ( -0.609 1.038 18.802) 18.841 12.523 ( 0.716 -2.650 26.568) 26.710 12.753 ( -4.328 3.838 12.564) 13.831 12.829 ( 2.899 10.002 -2.817) 10.788 13.077 ( -4.788 -12.171 -0.233) 13.081 13.423 ( -1.382 0.532 -7.950) 8.087 13.522 ( 0.715 2.291 -6.461) 6.893 13.619 ( -6.317 5.615 6.591) 10.718 13.663 ( 3.541 5.861 11.082) 13.026 14.160 ( 0.569 7.209 -5.071) 8.832 14.302 ( 1.693 2.230 -28.853) 28.989 14.415 ( 1.761 0.531 -1.508) 2.378 14.640 ( -12.910 8.562 -3.622) 15.909 14.902 ( -5.554 0.876 -0.713) 5.668 14.934 ( -5.173 1.290 -1.267) 5.480 15.312 ( -9.916 0.346 0.416) 9.931 15.393 ( -4.281 -10.211 8.673) 14.064 15.684 ( 0.150 12.083 -5.518) 13.285 15.763 ( 6.042 7.693 -0.596) 9.800 15.986 ( 6.637 0.701 -11.908) 13.651 16.007 ( -0.054 -4.210 -2.324) 4.809 16.357 ( 2.940 -2.178 -5.932) 6.970 16.515 ( 7.964 -8.592 -1.671) 11.834 17.623 ( 3.286 -2.648 -18.838) 19.305 17.729 ( 5.504 -2.514 -12.577) 13.957 17.787 ( 1.059 1.352 2.094) 2.708 17.875 ( -0.386 -5.566 -3.440) 6.555 18.213 ( -3.684 2.146 0.460) 4.288 18.285 ( -0.855 -1.984 2.690) 3.450 18.667 ( -1.892 4.117 3.588) 5.779 18.907 ( -1.990 -5.547 6.261) 8.598 21.118 ( 1.162 5.456 2.612) 6.160 21.280 ( 0.314 -2.253 4.507) 5.048 21.612 ( -1.443 2.196 14.660) 14.893 21.747 ( -1.582 -3.339 9.034) 9.760 22.133 ( -10.434 3.173 -3.574) 11.476 22.282 ( -3.489 -3.915 -7.488) 9.142 22.664 ( -0.245 8.763 5.638) 10.423 22.898 ( 11.209 -1.182 -0.116) 11.272 23.014 ( 7.942 3.183 -5.061) 9.941 23.518 ( -8.472 -18.930 3.922) 21.107 25.258 ( -0.291 6.468 -0.778) 6.521 25.551 ( -2.840 -6.543 -1.001) 7.203 27.674 ( -0.636 2.828 -3.793) 4.773 27.718 ( 0.910 1.101 -5.488) 5.671 ======================= Grid point 163 (59/80) ======================= q-point: ( 0.29 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( 5.641 -2.858 9.078) 11.064 1.895 ( 2.072 -3.850 6.364) 7.721 2.015 ( 6.991 5.911 5.161) 10.510 2.155 ( 5.596 2.531 6.616) 9.027 2.339 ( 1.262 -1.589 2.638) 3.328 2.363 ( 0.884 -6.113 4.461) 7.619 2.514 ( -2.409 10.870 -2.930) 11.512 2.717 ( -8.425 5.927 -3.066) 10.747 2.972 ( -2.301 -1.504 1.607) 3.184 3.050 ( -2.267 -6.926 1.004) 7.357 3.457 ( 5.658 -4.891 -2.379) 7.848 3.593 ( 1.189 -10.548 -4.092) 11.376 3.921 ( -2.469 -3.724 -2.638) 5.189 4.061 ( -7.591 -12.615 5.415) 15.687 4.926 ( 8.194 3.701 -6.120) 10.876 5.047 ( 10.953 -1.164 -4.001) 11.719 5.447 ( 0.906 19.474 -4.384) 19.982 5.751 ( 0.422 13.279 -2.724) 13.562 6.376 ( -0.582 -5.864 12.807) 14.098 6.434 ( 3.559 -1.790 8.815) 9.673 6.679 ( 3.682 3.775 20.983) 21.635 7.093 ( -6.383 -0.395 13.712) 15.130 7.218 ( -2.708 -8.857 13.721) 16.554 7.431 ( -6.563 -1.761 8.065) 10.546 7.515 ( 2.478 -6.058 7.014) 9.594 7.719 ( -0.572 -9.266 -0.256) 9.287 8.192 ( 0.871 4.507 -6.432) 7.902 8.678 ( -0.866 1.892 -2.037) 2.912 8.757 ( -2.137 8.538 -2.058) 9.038 8.833 ( -3.158 8.051 7.659) 11.552 9.045 ( -2.931 10.475 13.226) 17.124 9.255 ( 3.861 5.767 8.211) 10.751 9.289 ( 0.560 -8.953 20.506) 22.382 9.400 ( -10.691 16.401 9.016) 21.554 9.875 ( 14.284 -5.253 2.294) 15.391 10.124 ( -3.244 1.929 -2.746) 4.667 10.217 ( 4.618 -6.746 -0.830) 8.217 10.361 ( -4.726 -8.391 -8.677) 12.962 10.767 ( 8.182 4.126 1.303) 9.255 11.171 ( 6.273 1.555 -3.313) 7.263 11.315 ( 14.535 -9.599 3.030) 17.680 11.546 ( 11.495 -2.186 6.405) 13.339 11.794 ( -9.235 6.040 4.530) 11.929 12.078 ( -2.718 0.232 1.125) 2.951 12.368 ( -9.393 -3.780 18.980) 21.512 12.473 ( 3.936 -7.913 -4.660) 9.991 12.599 ( 7.393 -3.675 11.727) 14.342 12.658 ( -3.757 -3.394 10.322) 11.497 12.852 ( -2.855 -1.478 -1.142) 3.411 13.001 ( -1.167 1.197 -5.143) 5.407 13.404 ( -0.644 1.641 -10.788) 10.931 13.467 ( -8.603 2.421 3.272) 9.518 13.565 ( 3.526 3.000 -3.716) 5.936 13.706 ( 0.825 3.198 4.856) 5.873 14.186 ( 1.944 2.158 -9.301) 9.744 14.341 ( 1.802 1.821 -24.006) 24.142 14.373 ( -9.185 0.978 -7.324) 11.788 14.487 ( 0.375 9.798 -2.287) 10.068 14.804 ( -3.478 2.229 -0.563) 4.169 14.832 ( -4.485 3.233 2.265) 5.975 15.083 ( -13.166 -6.431 -2.813) 14.920 15.261 ( -9.878 -3.008 8.175) 13.170 15.712 ( 2.754 12.125 -5.464) 13.582 15.850 ( 5.945 1.735 -8.672) 10.656 15.975 ( -3.597 -0.353 -2.838) 4.596 16.111 ( 2.676 -5.235 -5.936) 8.354 16.500 ( 11.874 6.057 -4.279) 14.000 16.664 ( 7.300 -2.746 2.715) 8.258 17.673 ( 1.919 1.325 -10.990) 11.234 17.808 ( 1.151 0.508 -2.210) 2.543 17.852 ( 3.000 -1.702 -7.287) 8.063 17.891 ( 5.955 -6.052 -6.370) 10.614 18.114 ( -6.532 2.693 0.526) 7.085 18.260 ( -2.286 -2.749 -2.846) 4.570 18.636 ( -0.656 1.455 6.107) 6.312 18.850 ( -4.205 -6.156 6.441) 9.852 21.151 ( 2.428 4.572 3.719) 6.374 21.287 ( 0.215 -2.060 5.444) 5.825 21.572 ( -2.806 0.940 12.742) 13.081 21.639 ( -8.483 -1.809 8.178) 11.921 22.096 ( 5.808 3.188 -0.170) 6.627 22.251 ( 0.794 -3.873 -4.979) 6.358 22.578 ( -7.283 8.056 3.829) 11.515 22.961 ( -10.758 -8.225 11.822) 17.977 23.180 ( 11.966 4.265 -7.714) 14.862 23.446 ( 2.635 -8.639 -9.596) 13.178 25.257 ( 0.498 4.149 -1.404) 4.408 25.473 ( -5.250 -5.213 -1.583) 7.566 27.675 ( 0.710 1.997 -2.771) 3.489 27.726 ( -0.069 0.042 -4.653) 4.654 ======================= Grid point 164 (60/80) ======================= q-point: ( 0.43 0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.785 ( 7.073 -4.148 8.485) 11.800 1.889 ( -3.245 -5.005 7.570) 9.638 2.137 ( 5.729 3.716 4.723) 8.303 2.204 ( -0.766 3.854 5.926) 7.111 2.360 ( 0.502 -3.758 1.127) 3.956 2.365 ( 0.218 -3.503 1.723) 3.910 2.511 ( 1.639 10.338 -0.536) 10.481 2.577 ( -5.786 8.831 -0.770) 10.586 2.959 ( 0.843 -5.076 0.484) 5.168 2.997 ( -2.917 -6.631 0.859) 7.295 3.550 ( 4.086 -5.611 -2.213) 7.285 3.598 ( -0.967 -7.426 -2.897) 8.030 3.899 ( 0.437 -5.926 -1.915) 6.243 3.945 ( -4.558 -9.166 0.964) 10.282 5.078 ( 7.462 5.685 -7.962) 12.305 5.164 ( -0.206 4.422 -6.978) 8.264 5.546 ( 9.848 8.635 -3.358) 13.522 5.710 ( -5.597 6.656 -3.225) 9.275 6.357 ( -0.454 1.617 12.258) 12.373 6.398 ( -4.564 3.001 13.800) 14.842 6.816 ( 8.431 0.601 10.985) 13.860 6.970 ( -8.171 6.098 11.969) 15.723 7.119 ( 1.131 -11.341 15.181) 18.983 7.254 ( -10.925 -8.383 13.975) 19.619 7.652 ( 8.967 -7.103 7.203) 13.519 7.760 ( -0.893 -9.153 -0.642) 9.219 8.303 ( 12.082 1.324 -5.791) 13.463 8.571 ( -13.071 -7.022 -5.424) 15.798 8.734 ( 2.010 12.893 -2.232) 13.238 8.788 ( -2.730 10.852 -1.601) 11.304 9.000 ( 1.814 12.330 22.256) 25.507 9.115 ( -9.496 11.515 20.527) 25.380 9.341 ( 3.936 -0.387 13.600) 14.164 9.397 ( -0.505 4.578 12.752) 13.559 10.090 ( 4.765 -8.360 2.831) 10.030 10.105 ( 4.000 0.545 -1.450) 4.290 10.225 ( 1.159 -0.482 -7.069) 7.180 10.322 ( -4.238 -2.039 -4.025) 6.191 10.978 ( 13.228 9.197 4.390) 16.699 11.185 ( -6.444 8.202 3.387) 10.966 11.589 ( 3.295 2.985 4.577) 6.380 11.649 ( 19.039 -11.856 4.657) 22.907 11.705 ( -6.480 9.704 -1.332) 11.744 11.997 ( -13.265 -17.615 10.188) 24.291 12.236 ( 4.461 -10.965 14.323) 18.582 12.407 ( -8.865 -10.930 13.782) 19.698 12.664 ( 2.883 -1.004 2.156) 3.737 12.729 ( -1.915 -0.499 11.171) 11.345 12.807 ( 7.443 -6.097 -9.551) 13.557 12.968 ( -5.816 -3.076 -2.607) 7.077 13.365 ( -0.937 4.109 -7.828) 8.891 13.387 ( -1.569 3.391 -13.449) 13.959 13.638 ( 3.867 2.584 0.002) 4.651 13.695 ( -1.946 2.605 1.696) 3.668 14.212 ( 0.469 0.985 -12.951) 12.997 14.240 ( -3.698 3.735 -13.831) 14.796 14.389 ( 3.869 1.355 -15.797) 16.321 14.470 ( -3.473 4.074 -7.101) 8.893 14.768 ( 0.811 2.179 1.449) 2.740 14.844 ( -1.312 -2.882 8.508) 9.079 14.889 ( -0.126 2.938 -5.662) 6.380 15.057 ( -11.259 2.427 5.886) 12.935 15.783 ( 4.787 9.412 -5.297) 11.814 15.883 ( -5.664 4.620 -4.485) 8.575 15.979 ( 7.126 -3.477 -8.179) 11.392 16.089 ( -4.141 -6.363 -6.875) 10.242 16.704 ( 7.857 5.912 0.577) 9.849 16.758 ( 1.828 2.495 3.442) 4.628 17.712 ( 2.917 0.813 -6.430) 7.108 17.780 ( -3.543 -1.606 -4.351) 5.837 17.906 ( 3.800 1.251 -2.214) 4.572 17.993 ( -5.738 3.847 -2.812) 7.459 18.046 ( 8.398 -3.093 -7.039) 11.386 18.184 ( -6.000 -1.936 -7.313) 9.655 18.664 ( 3.717 -3.630 7.862) 9.424 18.756 ( -5.492 -6.155 7.217) 10.961 21.209 ( 3.664 2.932 5.033) 6.881 21.272 ( -2.357 -0.041 6.060) 6.502 21.519 ( -2.725 -0.371 7.784) 8.256 21.521 ( -2.526 -0.487 9.426) 9.771 22.254 ( 8.172 0.840 0.576) 8.235 22.322 ( 5.320 -1.194 0.693) 5.497 22.452 ( -2.440 2.253 2.829) 4.363 22.662 ( -17.508 -6.159 9.410) 20.809 23.390 ( 9.098 3.087 -9.093) 13.228 23.486 ( -0.870 -1.074 -10.471) 10.562 25.288 ( 3.045 0.236 -1.863) 3.578 25.369 ( -5.434 -3.155 -1.919) 6.570 27.695 ( 1.274 0.755 -2.674) 3.057 27.717 ( -0.903 -0.049 -3.447) 3.563 ======================= Grid point 168 (61/80) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( 0.000 -6.539 5.254) 8.388 1.680 ( 0.000 6.539 5.254) 8.388 2.064 ( 0.000 -4.801 1.256) 4.962 2.064 ( 0.000 4.801 1.256) 4.962 2.191 ( 0.000 -6.808 7.608) 10.209 2.191 ( 0.000 6.808 7.608) 10.209 2.772 ( 0.000 -9.566 2.364) 9.854 2.772 ( 0.000 9.566 2.364) 9.854 3.160 ( 0.000 -11.330 -1.505) 11.430 3.160 ( 0.000 11.330 -1.505) 11.430 3.270 ( 0.000 -9.107 -4.482) 10.150 3.270 ( 0.000 9.107 -4.482) 10.150 4.051 ( 0.000 -6.394 3.612) 7.343 4.051 ( 0.000 6.394 3.612) 7.344 4.751 ( 0.000 -0.261 -0.742) 0.787 4.751 ( 0.000 0.261 -0.742) 0.787 5.888 ( 0.000 -9.091 -4.308) 10.060 5.888 ( 0.000 9.091 -4.308) 10.060 6.177 ( 0.000 -7.638 3.374) 8.350 6.177 ( 0.000 7.638 3.374) 8.350 6.944 ( 0.000 -7.812 29.741) 30.750 6.944 ( 0.000 7.812 29.741) 30.750 7.134 ( 0.000 -7.385 6.612) 9.912 7.134 ( 0.000 7.385 6.612) 9.912 7.779 ( 0.000 -0.296 -3.945) 3.956 7.779 ( 0.000 0.296 -3.945) 3.956 8.693 ( 0.000 -20.326 5.022) 20.937 8.693 ( 0.000 20.326 5.022) 20.937 8.867 ( 0.000 -2.026 5.359) 5.729 8.867 ( 0.000 2.026 5.359) 5.729 9.055 ( 0.000 -5.677 7.711) 9.576 9.055 ( 0.000 5.677 7.711) 9.576 9.283 ( 0.000 -9.245 11.756) 14.956 9.283 ( 0.000 9.245 11.756) 14.956 9.961 ( 0.000 -0.725 0.622) 0.955 9.961 ( 0.000 0.725 0.622) 0.955 10.481 ( 0.000 -16.263 -5.775) 17.258 10.481 ( 0.000 16.263 -5.775) 17.258 10.684 ( 0.000 -3.907 -1.167) 4.078 10.684 ( 0.000 3.907 -1.167) 4.078 10.974 ( 0.000 -5.508 -5.473) 7.764 10.974 ( 0.000 5.508 -5.473) 7.764 12.119 ( 0.000 -2.871 -23.153) 23.330 12.119 ( 0.000 2.871 -23.153) 23.330 12.434 ( 0.000 -9.758 27.687) 29.357 12.434 ( 0.000 9.758 27.687) 29.357 12.582 ( 0.000 -15.397 9.335) 18.006 12.582 ( 0.000 15.397 9.335) 18.006 12.988 ( 0.000 -4.331 1.891) 4.725 12.988 ( 0.000 4.331 1.891) 4.725 13.463 ( 0.000 -4.498 -2.696) 5.244 13.463 ( 0.000 4.498 -2.696) 5.244 13.789 ( 0.000 -2.659 12.474) 12.754 13.789 ( 0.000 2.659 12.474) 12.754 14.322 ( 0.000 -0.646 -21.902) 21.912 14.322 ( 0.000 0.646 -21.902) 21.912 14.510 ( 0.000 -20.202 1.244) 20.240 14.510 ( 0.000 20.202 1.244) 20.240 15.034 ( 0.000 -10.720 5.638) 12.112 15.034 ( 0.000 10.720 5.638) 12.112 15.441 ( 0.000 -4.441 4.879) 6.597 15.441 ( 0.000 4.441 4.879) 6.597 15.806 ( 0.000 -11.119 -3.272) 11.590 15.806 ( 0.000 11.119 -3.272) 11.590 15.903 ( 0.000 -5.583 -9.392) 10.926 15.903 ( 0.000 5.583 -9.392) 10.926 16.274 ( 0.000 -1.270 -7.923) 8.024 16.274 ( 0.000 1.270 -7.923) 8.024 17.591 ( 0.000 -4.537 -19.747) 20.261 17.591 ( 0.000 4.537 -19.747) 20.261 17.812 ( 0.000 -1.641 -0.033) 1.641 17.812 ( 0.000 1.641 -0.033) 1.641 18.275 ( 0.000 -1.007 1.760) 2.027 18.275 ( 0.000 1.007 1.760) 2.027 18.802 ( 0.000 -6.354 4.593) 7.840 18.802 ( 0.000 6.354 4.593) 7.840 21.210 ( 0.000 -4.246 2.948) 5.169 21.210 ( 0.000 4.246 2.948) 5.169 21.692 ( 0.000 -3.480 12.151) 12.640 21.692 ( 0.000 3.480 12.151) 12.640 22.296 ( 0.000 -0.267 -7.095) 7.101 22.296 ( 0.000 0.267 -7.095) 7.101 22.707 ( 0.000 -4.294 2.823) 5.139 22.707 ( 0.000 4.294 2.823) 5.139 23.211 ( 0.000 -16.986 2.837) 17.221 23.211 ( 0.000 16.986 2.837) 17.221 25.419 ( 0.000 -8.073 -0.532) 8.090 25.419 ( 0.000 8.073 -0.532) 8.090 27.721 ( 0.000 -0.337 -5.456) 5.467 27.721 ( 0.000 0.337 -5.456) 5.467 ======================= Grid point 170 (62/80) ======================= q-point: ( 0.14 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.679 ( 0.493 -8.364 6.904) 10.857 1.679 ( 0.493 8.364 6.904) 10.857 2.116 ( 4.528 -4.774 0.614) 6.608 2.116 ( 4.528 4.774 0.614) 6.608 2.211 ( 2.214 -4.873 6.749) 8.613 2.211 ( 2.214 4.873 6.749) 8.613 2.762 ( -0.847 -9.941 1.003) 10.027 2.762 ( -0.847 9.941 1.003) 10.027 3.068 ( -7.141 -5.393 -0.417) 8.959 3.068 ( -7.141 5.393 -0.417) 8.959 3.346 ( 5.401 -5.098 -4.361) 8.613 3.346 ( 5.401 5.098 -4.361) 8.613 3.998 ( -4.825 -5.133 2.817) 7.587 3.998 ( -4.825 5.133 2.817) 7.587 4.825 ( 7.331 -1.406 -1.930) 7.710 4.825 ( 7.331 1.406 -1.930) 7.710 5.865 ( -2.212 -11.811 -4.165) 12.718 5.865 ( -2.212 11.811 -4.165) 12.718 6.235 ( 5.294 -6.743 3.858) 9.401 6.235 ( 5.294 6.743 3.858) 9.401 6.902 ( -3.434 -12.758 29.026) 31.891 6.902 ( -3.434 12.758 29.026) 31.891 7.200 ( 6.418 -7.795 6.954) 12.260 7.200 ( 6.418 7.795 6.954) 12.260 7.709 ( -7.607 -2.466 -0.864) 8.044 7.709 ( -7.607 2.466 -0.864) 8.044 8.537 ( -9.272 -19.346 -3.595) 21.752 8.537 ( -9.272 19.346 -3.595) 21.752 8.989 ( 2.801 -8.469 14.155) 16.731 8.989 ( 2.801 8.469 14.155) 16.731 9.068 ( 2.616 -13.231 5.400) 14.528 9.068 ( 2.616 13.231 5.400) 14.528 9.355 ( 9.377 -15.059 10.406) 20.567 9.355 ( 9.377 15.059 10.406) 20.567 9.951 ( -2.851 -7.888 5.215) 9.876 9.951 ( -2.851 7.888 5.215) 9.876 10.316 ( -10.319 -10.299 -11.195) 18.381 10.316 ( -10.319 10.299 -11.195) 18.381 10.769 ( 8.857 -10.545 3.352) 14.173 10.769 ( 8.857 10.545 3.352) 14.173 11.141 ( 12.656 -5.323 -6.242) 15.082 11.141 ( 12.656 5.323 -6.242) 15.082 12.158 ( 2.091 -3.779 -16.159) 16.726 12.158 ( 2.091 3.779 -16.159) 16.726 12.372 ( -5.957 -12.663 19.016) 23.611 12.372 ( -5.957 12.663 19.016) 23.611 12.555 ( -1.784 -9.645 13.993) 17.088 12.555 ( -1.784 9.645 13.993) 17.088 12.992 ( 0.066 -4.077 1.214) 4.254 12.992 ( 0.066 4.077 1.214) 4.254 13.473 ( 0.709 -4.674 -3.742) 6.030 13.473 ( 0.709 4.674 -3.742) 6.030 13.725 ( -5.686 -3.159 7.962) 10.281 13.725 ( -5.686 3.159 7.962) 10.281 14.315 ( -1.314 -4.201 -21.119) 21.573 14.315 ( -1.314 4.201 -21.119) 21.573 14.506 ( -0.033 -13.949 2.457) 14.164 14.506 ( -0.033 13.949 2.457) 14.164 14.997 ( -4.531 -6.256 3.439) 8.456 14.997 ( -4.531 6.256 3.439) 8.456 15.267 ( -11.977 -6.836 2.189) 13.963 15.267 ( -11.977 6.836 2.189) 13.963 15.867 ( 2.278 -7.512 -5.517) 9.595 15.867 ( 2.278 7.512 -5.517) 9.595 15.947 ( 2.920 -6.152 -6.124) 9.158 15.947 ( 2.920 6.152 -6.124) 9.158 16.371 ( 10.496 -4.638 -4.679) 12.393 16.371 ( 10.496 4.638 -4.679) 12.393 17.646 ( 5.501 -4.536 -17.657) 19.043 17.646 ( 5.501 4.536 -17.657) 19.043 17.810 ( -0.174 -1.169 0.004) 1.182 17.810 ( -0.174 1.169 0.004) 1.182 18.250 ( -2.570 -1.603 0.983) 3.185 18.250 ( -2.570 1.603 0.983) 3.185 18.780 ( -2.390 -6.455 4.551) 8.252 18.780 ( -2.390 6.455 4.551) 8.252 21.216 ( 0.573 -4.014 3.296) 5.226 21.216 ( 0.573 4.014 3.296) 5.226 21.674 ( -2.243 -3.572 12.591) 13.279 21.674 ( -2.243 3.572 12.591) 13.279 22.202 ( -5.788 -3.710 -5.997) 9.123 22.202 ( -5.788 3.710 -5.997) 9.123 22.826 ( 6.436 -5.952 5.433) 10.314 22.826 ( 6.436 5.952 5.433) 10.314 23.178 ( -0.830 -13.087 -2.221) 13.300 23.178 ( -0.830 13.087 -2.221) 13.300 25.404 ( -1.649 -7.512 -0.840) 7.736 25.404 ( -1.649 7.512 -0.840) 7.736 27.717 ( -0.323 -1.215 -4.884) 5.043 27.717 ( -0.323 1.215 -4.884) 5.043 ======================= Grid point 172 (63/80) ======================= q-point: ( 0.29 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.713 ( 3.021 -8.132 9.028) 12.521 1.713 ( 3.021 8.132 9.028) 12.521 2.193 ( 3.364 -7.969 1.984) 8.874 2.193 ( 3.364 7.969 1.984) 8.874 2.265 ( 2.804 -4.132 3.806) 6.279 2.265 ( 2.804 4.132 3.806) 6.279 2.750 ( -0.328 -9.433 -1.353) 9.536 2.750 ( -0.328 9.433 -1.353) 9.536 2.929 ( -7.202 -4.210 1.689) 8.512 2.929 ( -7.202 4.210 1.689) 8.512 3.439 ( 4.414 -3.482 -3.883) 6.833 3.439 ( 4.414 3.482 -3.883) 6.833 3.905 ( -4.528 -2.818 0.721) 5.382 3.905 ( -4.528 2.818 0.721) 5.382 4.996 ( 10.338 -3.208 -4.894) 11.879 4.996 ( 10.338 3.208 -4.894) 11.879 5.809 ( -3.893 -11.677 -4.124) 12.981 5.809 ( -3.893 11.677 -4.124) 12.981 6.334 ( 4.646 -5.312 5.630) 9.028 6.334 ( 4.646 5.312 5.630) 9.028 6.856 ( -0.592 -12.485 26.822) 29.592 6.856 ( -0.592 12.485 26.822) 29.592 7.302 ( -1.004 -8.113 10.158) 13.039 7.302 ( -1.004 8.113 10.158) 13.039 7.550 ( -3.971 -6.359 -0.251) 7.501 7.550 ( -3.971 6.359 -0.251) 7.501 8.416 ( -3.525 -15.908 -8.449) 18.354 8.416 ( -3.525 15.908 -8.449) 18.354 8.972 ( -3.045 -1.596 -2.081) 4.019 8.972 ( -3.045 1.596 -2.081) 4.019 9.108 ( 2.175 -1.298 27.294) 27.411 9.108 ( 2.175 1.298 27.294) 27.411 9.534 ( 1.050 -13.824 6.446) 15.289 9.534 ( 1.050 13.824 6.446) 15.289 9.872 ( 2.576 -15.850 8.582) 18.207 9.872 ( 2.576 15.850 8.582) 18.207 10.249 ( 1.089 -4.140 -12.066) 12.803 10.249 ( 1.089 4.140 -12.066) 12.803 10.978 ( 12.738 -13.485 6.335) 19.602 10.978 ( 12.738 13.485 6.335) 19.602 11.374 ( 12.227 -9.384 -4.062) 15.939 11.374 ( 12.227 9.384 -4.062) 15.939 12.042 ( -13.678 -15.075 6.636) 21.410 12.042 ( -13.678 15.075 6.636) 21.410 12.299 ( -3.881 -6.801 7.940) 11.152 12.299 ( -3.881 6.801 7.940) 11.152 12.569 ( 4.372 -1.515 7.612) 8.908 12.569 ( 4.372 1.515 7.612) 8.908 12.961 ( -4.264 -6.625 0.502) 7.895 12.961 ( -4.264 6.625 0.502) 7.895 13.460 ( -2.129 -3.028 -10.761) 11.380 13.460 ( -2.129 3.028 -10.761) 11.380 13.655 ( -0.414 -5.361 3.717) 6.537 13.655 ( -0.414 5.361 3.717) 6.537 14.274 ( -2.206 -5.137 -18.319) 19.153 14.274 ( -2.206 5.137 -18.319) 19.153 14.502 ( -1.387 -7.687 -2.215) 8.119 14.502 ( -1.387 7.687 -2.215) 8.119 14.874 ( -6.461 -0.818 2.167) 6.864 14.874 ( -6.461 0.818 2.167) 6.864 15.109 ( -5.453 -11.556 3.209) 13.175 15.109 ( -5.453 11.556 3.209) 13.175 15.892 ( 0.569 -6.863 -6.119) 9.212 15.892 ( 0.569 6.863 -6.119) 9.212 15.966 ( 0.016 -7.840 -7.690) 10.981 15.966 ( 0.016 7.840 -7.690) 10.981 16.605 ( 12.511 -3.943 0.279) 13.121 16.605 ( 12.511 3.943 0.279) 13.121 17.746 ( 2.370 -5.672 -6.290) 8.795 17.746 ( 2.370 5.672 -6.290) 8.795 17.832 ( 4.750 -0.910 -5.212) 7.110 17.832 ( 4.750 0.910 -5.212) 7.110 18.187 ( -3.926 -3.963 -2.913) 6.293 18.187 ( -3.926 3.963 -2.913) 6.293 18.718 ( -3.953 -6.006 5.114) 8.823 18.718 ( -3.953 6.006 5.114) 8.823 21.232 ( 1.236 -3.315 4.255) 5.534 21.232 ( 1.236 3.315 4.255) 5.534 21.601 ( -5.231 -1.799 11.146) 12.443 21.601 ( -5.231 1.799 11.146) 12.443 22.170 ( 2.728 -3.913 -3.164) 5.724 22.170 ( 2.728 3.913 -3.164) 5.724 22.767 ( -10.796 -10.046 8.737) 17.141 22.767 ( -10.796 10.046 8.737) 17.141 23.290 ( 10.449 -6.492 -9.306) 15.425 23.290 ( 10.449 6.492 -9.306) 15.425 25.359 ( -2.886 -5.613 -1.325) 6.449 25.359 ( -2.886 5.613 -1.325) 6.449 27.712 ( -0.203 -1.393 -3.706) 3.964 27.712 ( -0.203 1.393 -3.706) 3.964 ======================= Grid point 174 (64/80) ======================= q-point: ( 0.43 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.768 ( 2.017 -3.599 9.993) 10.812 1.768 ( 2.017 3.599 9.993) 10.812 2.246 ( 2.382 -5.938 2.496) 6.868 2.246 ( 2.382 5.938 2.496) 6.868 2.289 ( -0.367 -3.995 2.889) 4.944 2.289 ( -0.367 3.995 2.889) 4.944 2.753 ( 0.519 -6.348 -2.920) 7.007 2.753 ( 0.519 6.348 -2.920) 7.007 2.823 ( -3.562 -4.657 3.303) 6.729 2.823 ( -3.562 4.657 3.303) 6.729 3.502 ( 1.977 -1.313 -2.976) 3.806 3.502 ( 1.977 1.313 -2.976) 3.806 3.843 ( -1.881 -0.836 -1.285) 2.427 3.843 ( -1.881 0.836 -1.285) 2.427 5.167 ( 6.307 -2.814 -7.810) 10.426 5.167 ( 6.307 2.814 -7.810) 10.426 5.731 ( -3.350 -6.060 -4.204) 8.100 5.731 ( -3.350 6.060 -4.204) 8.100 6.396 ( 1.822 -2.910 8.516) 9.182 6.396 ( 1.822 2.910 8.516) 9.182 6.902 ( 5.670 -8.662 19.079) 21.706 6.902 ( 5.670 8.662 19.079) 21.706 7.112 ( -12.554 -7.149 17.003) 22.311 7.112 ( -12.554 7.149 17.003) 22.311 7.614 ( 4.350 -3.711 -3.570) 6.741 7.614 ( 4.350 3.711 -3.570) 6.741 8.399 ( 0.824 -7.859 -6.567) 10.274 8.399 ( 0.824 7.859 -6.567) 10.274 8.901 ( -3.319 -1.742 -3.423) 5.076 8.901 ( -3.319 1.742 -3.423) 5.076 9.177 ( 4.887 -7.023 31.809) 32.940 9.177 ( 4.887 7.023 31.809) 32.940 9.387 ( -9.392 -8.084 6.782) 14.127 9.387 ( -9.392 8.084 6.782) 14.127 10.068 ( 11.010 -5.865 3.049) 12.842 10.068 ( 11.010 5.865 3.049) 12.842 10.250 ( -2.247 -4.239 -8.164) 9.469 10.250 ( -2.247 4.239 -8.164) 9.469 11.230 ( 13.769 -13.298 7.708) 20.636 11.230 ( 13.769 13.298 7.708) 20.636 11.506 ( -4.107 -16.382 7.986) 18.682 11.506 ( -4.107 16.382 7.986) 18.682 11.853 ( 0.115 -11.504 -0.840) 11.535 11.853 ( 0.115 11.504 -0.840) 11.535 12.157 ( -9.501 -10.636 15.926) 21.378 12.157 ( -9.501 10.636 15.926) 21.378 12.688 ( 7.144 -3.110 3.902) 8.714 12.688 ( 7.144 3.110 3.902) 8.714 12.838 ( -7.728 -7.109 -2.466) 10.786 12.838 ( -7.728 7.109 -2.466) 10.786 13.440 ( 0.109 -0.426 -18.219) 18.225 13.440 ( 0.109 0.426 -18.219) 18.225 13.671 ( 0.845 -2.134 3.522) 4.204 13.671 ( 0.845 2.134 3.522) 4.204 14.260 ( 0.645 -2.379 -15.125) 15.325 14.260 ( 0.645 2.379 -15.125) 15.325 14.441 ( -3.742 -4.588 -12.870) 14.167 14.441 ( -3.742 4.588 -12.870) 14.167 14.816 ( -0.419 -1.109 10.152) 10.221 14.816 ( -0.419 1.109 10.152) 10.221 15.035 ( -2.469 -6.747 1.435) 7.326 15.035 ( -2.469 6.747 1.435) 7.326 15.891 ( -0.307 -1.878 -4.791) 5.155 15.891 ( -0.307 1.878 -4.791) 5.155 15.969 ( 0.227 -2.819 -10.169) 10.555 15.969 ( 0.227 2.820 -10.169) 10.555 16.782 ( 5.398 -1.151 2.422) 6.028 16.782 ( 5.398 1.151 2.422) 6.028 17.742 ( -0.841 -1.901 0.561) 2.153 17.742 ( -0.841 1.901 0.561) 2.153 17.956 ( 5.902 -3.410 1.322) 6.944 17.956 ( 5.902 3.410 1.322) 6.944 18.113 ( -3.639 -4.998 -15.832) 16.996 18.113 ( -3.639 4.998 -15.832) 16.996 18.652 ( -2.334 -2.886 6.809) 7.755 18.652 ( -2.334 2.886 6.809) 7.755 21.256 ( 1.007 -1.564 5.438) 5.748 21.256 ( 1.007 1.564 5.438) 5.748 21.515 ( -3.009 -0.038 8.631) 9.141 21.515 ( -3.009 0.038 8.631) 9.141 22.284 ( 8.379 -1.991 0.787) 8.648 22.284 ( 8.379 1.991 0.787) 8.648 22.537 ( -11.837 -5.579 5.694) 14.271 22.537 ( -11.837 5.579 5.694) 14.271 23.449 ( 5.047 -2.509 -10.227) 11.677 23.449 ( 5.047 2.509 -10.227) 11.677 25.312 ( -1.630 -2.161 -1.493) 3.091 25.312 ( -1.630 2.161 -1.493) 3.091 27.710 ( -0.025 -0.586 -2.861) 2.921 27.710 ( -0.025 0.586 -2.861) 2.921 ======================= Grid point 196 (65/80) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.472 ( 0.000 0.000 -2.875) 2.875 1.845 ( 0.000 0.000 8.159) 8.159 1.903 ( 0.000 0.000 -4.212) 4.212 2.208 ( 0.000 0.000 6.535) 6.535 2.304 ( 0.000 0.000 0.525) 0.525 2.483 ( 0.000 0.000 6.994) 6.994 2.500 ( 0.000 0.000 -0.852) 0.852 2.820 ( 0.000 0.000 0.879) 0.879 3.151 ( 0.000 0.000 4.435) 4.435 3.218 ( 0.000 0.000 -0.379) 0.379 3.496 ( 0.000 0.000 -0.510) 0.510 3.909 ( 0.000 0.000 -1.631) 1.631 4.085 ( 0.000 0.000 -3.189) 3.189 4.650 ( 0.000 0.000 0.271) 0.271 4.684 ( 0.000 0.000 1.319) 1.319 4.806 ( 0.000 0.000 -0.591) 0.591 5.091 ( 0.000 0.000 -1.879) 1.879 5.249 ( 0.000 0.000 2.373) 2.373 5.931 ( 0.000 0.000 -5.406) 5.406 6.847 ( 0.000 0.000 10.027) 10.027 7.092 ( 0.000 0.000 0.807) 0.807 7.140 ( 0.000 0.000 14.657) 14.657 7.488 ( 0.000 0.000 -6.128) 6.128 7.508 ( 0.000 0.000 -1.811) 1.811 7.974 ( 0.000 0.000 6.314) 6.314 8.046 ( 0.000 0.000 1.900) 1.900 8.255 ( 0.000 0.000 -8.985) 8.985 8.279 ( 0.000 0.000 8.960) 8.960 8.421 ( 0.000 0.000 5.711) 5.711 8.774 ( 0.000 0.000 -8.809) 8.809 8.976 ( 0.000 0.000 10.983) 10.983 9.356 ( 0.000 0.000 0.396) 0.396 9.569 ( 0.000 0.000 2.527) 2.527 9.691 ( 0.000 0.000 0.118) 0.118 9.846 ( 0.000 0.000 4.121) 4.121 10.044 ( 0.000 0.000 -7.448) 7.448 10.098 ( 0.000 0.000 29.505) 29.505 10.584 ( 0.000 0.000 -1.668) 1.668 10.665 ( 0.000 0.000 -2.310) 2.310 10.832 ( 0.000 0.000 -8.910) 8.910 11.415 ( 0.000 0.000 -4.567) 4.567 12.005 ( 0.000 0.000 -23.020) 23.020 12.062 ( 0.000 0.000 15.317) 15.317 12.110 ( 0.000 0.000 4.543) 4.543 12.162 ( 0.000 0.000 18.637) 18.637 12.410 ( 0.000 0.000 -3.722) 3.722 12.531 ( 0.000 0.000 -9.258) 9.258 12.825 ( 0.000 0.000 -7.563) 7.563 12.929 ( 0.000 0.000 14.686) 14.686 12.978 ( 0.000 0.000 8.728) 8.728 13.440 ( 0.000 0.000 12.799) 12.799 13.548 ( 0.000 0.000 -13.941) 13.941 13.606 ( 0.000 0.000 10.865) 10.865 13.627 ( 0.000 0.000 -10.815) 10.815 13.702 ( 0.000 0.000 0.008) 0.008 13.969 ( 0.000 0.000 -19.916) 19.916 14.177 ( 0.000 0.000 3.892) 3.892 14.358 ( 0.000 0.000 3.302) 3.302 14.371 ( 0.000 0.000 -10.807) 10.807 14.782 ( 0.000 0.000 -5.889) 5.889 15.331 ( 0.000 0.000 -3.182) 3.182 15.430 ( 0.000 0.000 0.088) 0.088 15.490 ( 0.000 0.000 4.390) 4.390 15.920 ( 0.000 0.000 1.140) 1.140 16.004 ( 0.000 0.000 0.401) 0.401 16.138 ( 0.000 0.000 3.234) 3.234 16.218 ( 0.000 0.000 -4.399) 4.399 16.930 ( 0.000 0.000 14.799) 14.799 17.448 ( 0.000 0.000 -23.560) 23.560 17.553 ( 0.000 0.000 -5.211) 5.211 17.728 ( 0.000 0.000 0.632) 0.632 18.026 ( 0.000 0.000 0.341) 0.341 18.267 ( 0.000 0.000 4.877) 4.877 18.463 ( 0.000 0.000 3.013) 3.013 18.634 ( 0.000 0.000 0.801) 0.801 19.132 ( 0.000 0.000 2.439) 2.439 20.934 ( 0.000 0.000 -0.025) 0.025 21.392 ( 0.000 0.000 2.259) 2.259 21.813 ( 0.000 0.000 1.207) 1.207 21.884 ( 0.000 0.000 12.144) 12.144 22.255 ( 0.000 0.000 -11.741) 11.741 22.379 ( 0.000 0.000 -1.524) 1.524 22.397 ( 0.000 0.000 2.639) 2.639 22.657 ( 0.000 0.000 -2.183) 2.183 22.757 ( 0.000 0.000 -0.687) 0.687 24.278 ( 0.000 0.000 0.967) 0.967 25.094 ( 0.000 0.000 -0.214) 0.214 25.726 ( 0.000 0.000 -0.339) 0.339 27.529 ( 0.000 0.000 -0.475) 0.475 27.597 ( 0.000 0.000 -1.170) 1.170 ======================= Grid point 197 (66/80) ======================= q-point: ( 0.14 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.576 ( 10.247 0.000 -1.930) 10.428 1.874 ( -0.856 0.000 -0.729) 1.124 1.940 ( 7.400 0.000 4.843) 8.844 2.170 ( -3.857 0.000 5.732) 6.908 2.319 ( 1.399 0.000 -0.084) 1.401 2.486 ( 0.232 0.000 4.595) 4.601 2.488 ( -1.151 0.000 -0.256) 1.179 2.827 ( 0.257 0.000 2.647) 2.659 3.026 ( -11.232 0.000 0.693) 11.254 3.198 ( -2.107 0.000 0.281) 2.125 3.534 ( 3.755 0.000 -0.641) 3.810 3.891 ( -1.817 0.000 -1.074) 2.111 4.082 ( 0.069 0.000 -2.621) 2.622 4.689 ( 0.917 0.000 -0.118) 0.925 4.698 ( 4.744 0.000 0.332) 4.756 4.857 ( 5.897 0.000 -1.035) 5.987 5.092 ( -11.409 0.000 5.165) 12.523 5.204 ( 6.816 0.000 -3.540) 7.681 6.142 ( 20.383 0.000 -3.334) 20.654 6.870 ( 1.978 0.000 9.108) 9.321 7.006 ( -9.738 0.000 12.823) 16.101 7.060 ( -5.173 0.000 1.101) 5.289 7.496 ( 0.053 0.000 -5.904) 5.904 7.739 ( 16.554 0.000 3.937) 17.016 7.825 ( -6.960 0.000 -1.465) 7.113 8.049 ( 1.923 0.000 -2.224) 2.940 8.227 ( -4.175 0.000 4.682) 6.273 8.310 ( -13.357 0.000 16.396) 21.148 8.400 ( 8.843 0.000 -1.078) 8.908 8.645 ( -2.960 0.000 -15.358) 15.640 9.167 ( -17.056 0.000 1.223) 17.100 9.175 ( 11.435 0.000 13.397) 17.614 9.523 ( -13.348 0.000 4.033) 13.944 9.548 ( -2.184 0.000 1.435) 2.613 9.841 ( -0.832 0.000 -3.999) 4.084 10.085 ( 4.190 0.000 -4.968) 6.499 10.173 ( 6.988 0.000 31.043) 31.820 10.697 ( 0.236 0.000 -6.334) 6.339 10.736 ( 12.927 0.000 -0.720) 12.947 10.962 ( 14.376 0.000 -3.207) 14.729 11.389 ( -3.175 0.000 -2.962) 4.343 11.766 ( -17.210 0.000 -17.578) 24.600 11.790 ( -17.106 0.000 16.696) 23.903 12.179 ( 7.307 0.000 -5.034) 8.873 12.257 ( 0.092 0.000 -0.541) 0.549 12.607 ( 14.108 0.000 -3.157) 14.457 12.659 ( 11.856 0.000 6.295) 13.423 12.850 ( 2.022 0.000 1.976) 2.827 12.999 ( 1.648 0.000 6.473) 6.680 13.008 ( 7.740 0.000 3.070) 8.326 13.320 ( -12.130 0.000 8.952) 15.076 13.555 ( -0.735 0.000 -7.951) 7.985 13.632 ( 2.304 0.000 -10.990) 11.229 13.656 ( 4.936 0.000 14.106) 14.944 13.688 ( -1.984 0.000 -0.287) 2.005 13.963 ( 1.360 0.000 -14.813) 14.875 14.148 ( -2.629 0.000 4.690) 5.376 14.372 ( 0.721 0.000 -2.230) 2.344 14.375 ( 1.229 0.000 -13.484) 13.540 14.794 ( 0.897 0.000 -4.604) 4.691 15.293 ( -2.222 0.000 5.438) 5.875 15.428 ( -6.498 0.000 5.193) 8.318 15.627 ( 16.260 0.000 -6.722) 17.594 15.847 ( -6.695 0.000 -0.840) 6.747 15.875 ( -12.346 0.000 -1.810) 12.478 16.124 ( -8.614 0.000 -2.832) 9.067 16.131 ( -0.934 0.000 2.678) 2.837 16.966 ( 2.542 0.000 16.728) 16.920 17.442 ( -0.445 0.000 -24.467) 24.471 17.532 ( -2.269 0.000 -5.494) 5.944 17.759 ( 3.139 0.000 0.665) 3.209 18.025 ( -0.218 0.000 0.478) 0.525 18.261 ( -0.580 0.000 4.444) 4.482 18.419 ( -4.699 0.000 1.351) 4.889 18.681 ( 5.013 0.000 2.370) 5.546 19.124 ( -0.827 0.000 2.586) 2.715 20.965 ( 3.224 0.000 0.212) 3.231 21.409 ( 1.705 0.000 2.418) 2.959 21.839 ( -0.581 0.000 9.147) 9.165 21.898 ( 4.861 0.000 2.607) 5.516 22.040 ( -20.946 0.000 -0.010) 20.946 22.252 ( 0.214 0.000 -9.286) 9.289 22.387 ( -1.992 0.000 0.667) 2.101 22.831 ( 7.423 0.000 -1.344) 7.543 22.985 ( 20.058 0.000 -1.068) 20.086 24.090 ( -19.240 0.000 1.027) 19.267 25.099 ( 0.878 0.000 -0.408) 0.968 25.682 ( -4.547 0.000 -0.432) 4.567 27.548 ( 1.978 0.000 -0.558) 2.055 27.611 ( 1.392 0.000 -1.378) 1.959 ======================= Grid point 198 (67/80) ======================= q-point: ( 0.29 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.804 ( 12.854 0.000 0.658) 12.870 1.860 ( 0.058 0.000 -2.416) 2.417 2.079 ( -5.364 0.000 2.681) 5.997 2.095 ( 7.311 0.000 7.933) 10.788 2.354 ( 2.354 0.000 -2.339) 3.319 2.457 ( -1.982 0.000 -0.771) 2.126 2.496 ( 0.649 0.000 2.536) 2.618 2.724 ( -11.719 0.000 4.651) 12.609 2.914 ( 1.291 0.000 -4.544) 4.724 3.141 ( -4.000 0.000 0.503) 4.032 3.619 ( 4.984 0.000 -0.542) 5.013 3.846 ( -2.950 0.000 -0.516) 2.995 4.112 ( 3.788 0.000 -0.526) 3.824 4.734 ( 3.978 0.000 -1.802) 4.367 4.787 ( -11.394 0.000 4.487) 12.245 4.809 ( -0.922 0.000 0.047) 0.923 5.032 ( 12.844 0.000 -1.679) 12.953 5.389 ( 10.675 0.000 -1.649) 10.802 6.539 ( 15.868 0.000 1.333) 15.923 6.742 ( -19.873 0.000 8.861) 21.759 6.904 ( 1.611 0.000 6.310) 6.512 6.940 ( -4.442 0.000 3.143) 5.442 7.453 ( -3.315 0.000 -5.374) 6.314 7.768 ( 3.212 0.000 -2.030) 3.800 8.065 ( 7.922 0.000 3.475) 8.651 8.099 ( -3.733 0.000 12.776) 13.310 8.122 ( 10.602 0.000 1.588) 10.720 8.174 ( -1.947 0.000 3.573) 4.069 8.503 ( 1.252 0.000 -2.458) 2.758 8.634 ( -0.490 0.000 -8.978) 8.992 8.838 ( -15.006 0.000 1.830) 15.117 9.139 ( -14.740 0.000 -0.084) 14.740 9.462 ( 6.482 0.000 25.290) 26.107 9.516 ( -0.734 0.000 3.544) 3.619 9.848 ( 3.026 0.000 -14.187) 14.506 10.195 ( 7.688 0.000 -1.501) 7.833 10.291 ( 3.261 0.000 30.050) 30.226 10.662 ( -3.063 0.000 -5.943) 6.685 10.961 ( 9.680 0.000 1.697) 9.828 11.180 ( -5.315 0.000 4.421) 6.913 11.291 ( 0.505 0.000 -2.511) 2.561 11.495 ( -14.115 0.000 10.512) 17.599 11.626 ( 8.463 0.000 -27.016) 28.310 12.228 ( -2.023 0.000 -7.645) 7.909 12.360 ( 11.448 0.000 -2.951) 11.823 12.818 ( 4.324 0.000 10.096) 10.983 12.856 ( 12.706 0.000 -1.793) 12.832 12.895 ( 0.895 0.000 -0.113) 0.902 13.002 ( -3.381 0.000 -0.267) 3.391 13.089 ( -8.663 0.000 9.914) 13.165 13.152 ( 5.829 0.000 -0.567) 5.856 13.495 ( -5.796 0.000 -1.036) 5.888 13.562 ( -8.842 0.000 1.860) 9.035 13.696 ( -1.850 0.000 6.137) 6.410 13.808 ( 14.612 0.000 -7.404) 16.381 14.065 ( 7.354 0.000 -2.453) 7.753 14.118 ( 0.875 0.000 7.262) 7.314 14.406 ( 5.017 0.000 -2.879) 5.784 14.454 ( 7.844 0.000 -16.839) 18.577 14.807 ( 0.336 0.000 -4.696) 4.708 15.177 ( -12.351 0.000 7.857) 14.638 15.261 ( -11.082 0.000 4.959) 12.141 15.617 ( -13.786 0.000 -3.598) 14.248 15.723 ( -10.117 0.000 -5.943) 11.734 15.769 ( -1.861 0.000 -7.280) 7.514 16.088 ( -4.139 0.000 0.400) 4.159 16.167 ( 19.682 0.000 1.071) 19.711 16.987 ( -0.809 0.000 17.552) 17.570 17.427 ( -1.709 0.000 -24.143) 24.203 17.474 ( -3.718 0.000 -6.669) 7.636 17.832 ( 4.323 0.000 0.708) 4.381 18.011 ( -1.420 0.000 0.781) 1.621 18.247 ( -0.866 0.000 3.386) 3.495 18.312 ( -5.702 0.000 0.274) 5.709 18.804 ( 7.502 0.000 3.551) 8.300 19.098 ( -2.168 0.000 2.971) 3.678 21.049 ( 5.700 0.000 0.704) 5.743 21.436 ( -0.177 0.000 2.715) 2.721 21.715 ( -12.530 0.000 0.709) 12.551 21.785 ( -4.123 0.000 8.582) 9.521 22.060 ( 10.238 0.000 -1.581) 10.359 22.294 ( 5.871 0.000 -3.049) 6.616 22.336 ( -3.321 0.000 -0.122) 3.324 23.008 ( 10.901 0.000 -2.179) 11.117 23.254 ( 6.980 0.000 2.574) 7.439 23.628 ( -27.635 0.000 -1.292) 27.665 25.143 ( 4.254 0.000 -1.004) 4.370 25.566 ( -7.555 0.000 -0.718) 7.589 27.594 ( 2.617 0.000 -0.783) 2.731 27.639 ( 1.354 0.000 -1.587) 2.086 ======================= Grid point 199 (68/80) ======================= q-point: ( 0.43 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 128 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( 2.796 0.000 -0.987) 2.965 1.951 ( -2.508 0.000 3.520) 4.322 2.053 ( 7.718 0.000 -0.414) 7.729 2.162 ( -1.245 0.000 6.638) 6.754 2.393 ( 1.361 0.000 -3.662) 3.907 2.419 ( -1.885 0.000 -1.355) 2.322 2.507 ( 0.633 0.000 1.525) 1.651 2.547 ( -5.403 0.000 1.617) 5.639 2.971 ( 4.080 0.000 -2.263) 4.666 3.056 ( -4.842 0.000 -0.787) 4.906 3.709 ( 4.505 0.000 -0.384) 4.522 3.784 ( -3.657 0.000 -0.372) 3.676 4.238 ( 9.928 0.000 2.039) 10.135 4.477 ( -15.416 0.000 3.771) 15.870 4.819 ( 4.362 0.000 -1.605) 4.648 4.863 ( 0.339 0.000 -0.704) 0.781 5.319 ( 16.600 0.000 -2.089) 16.731 5.520 ( -0.684 0.000 -1.678) 1.812 6.432 ( -6.905 0.000 5.079) 8.571 6.539 ( -11.606 0.000 5.005) 12.639 6.902 ( -0.136 0.000 3.550) 3.552 6.916 ( -0.932 0.000 2.435) 2.607 7.571 ( 15.428 0.000 -1.584) 15.509 7.797 ( -4.412 0.000 -0.092) 4.413 8.122 ( 1.674 0.000 0.080) 1.676 8.131 ( 2.032 0.000 4.822) 5.233 8.168 ( 2.919 0.000 8.342) 8.838 8.253 ( -2.665 0.000 12.693) 12.970 8.496 ( 4.019 0.000 -9.560) 10.370 8.594 ( -4.079 0.000 -5.705) 7.013 8.722 ( 1.915 0.000 2.571) 3.206 8.865 ( -12.619 0.000 -0.657) 12.636 9.521 ( 0.994 0.000 8.877) 8.932 9.533 ( 0.621 0.000 19.435) 19.445 9.993 ( 11.873 0.000 -8.495) 14.599 10.221 ( -10.256 0.000 9.099) 13.711 10.374 ( 11.327 0.000 4.146) 12.062 10.577 ( -8.260 0.000 9.585) 12.653 11.025 ( -1.981 0.000 1.602) 2.548 11.058 ( -0.268 0.000 9.508) 9.512 11.296 ( -1.493 0.000 -10.664) 10.768 11.302 ( -4.865 0.000 -5.770) 7.548 11.950 ( 18.424 0.000 -14.418) 23.395 12.170 ( -5.599 0.000 -9.251) 10.813 12.580 ( 11.945 0.000 0.228) 11.947 12.792 ( -8.952 0.000 -1.600) 9.094 12.899 ( 1.808 0.000 4.319) 4.682 12.909 ( -1.653 0.000 -3.304) 3.694 13.030 ( -0.840 0.000 8.353) 8.395 13.097 ( 13.277 0.000 -0.082) 13.277 13.105 ( -9.158 0.000 1.025) 9.215 13.346 ( -12.785 0.000 2.484) 13.024 13.487 ( 5.423 0.000 -1.025) 5.519 13.612 ( -6.436 0.000 0.860) 6.493 14.061 ( 6.724 0.000 -2.253) 7.092 14.122 ( -0.900 0.000 -1.257) 1.546 14.276 ( 18.678 0.000 11.814) 22.100 14.545 ( 0.999 0.000 13.648) 13.684 14.652 ( 11.944 0.000 -13.476) 18.007 14.805 ( 0.422 0.000 -4.322) 4.342 14.890 ( -11.961 0.000 -9.120) 15.041 15.027 ( -13.735 0.000 -1.885) 13.864 15.420 ( -5.454 0.000 -1.718) 5.718 15.474 ( -11.019 0.000 -3.232) 11.484 15.836 ( 6.824 0.000 -4.537) 8.195 15.977 ( -7.425 0.000 -2.273) 7.765 16.588 ( 21.780 0.000 3.775) 22.105 16.898 ( -10.322 0.000 12.582) 16.274 17.386 ( -1.360 0.000 -18.940) 18.989 17.406 ( -3.077 0.000 -10.335) 10.784 17.910 ( 3.881 0.000 0.750) 3.953 17.972 ( -2.722 0.000 0.860) 2.855 18.232 ( -0.577 0.000 2.039) 2.119 18.239 ( -1.847 0.000 0.767) 2.000 18.938 ( 6.542 0.000 3.752) 7.542 19.039 ( -4.243 0.000 3.448) 5.468 21.176 ( 7.866 0.000 1.134) 7.948 21.338 ( -8.987 0.000 1.636) 9.135 21.632 ( 1.965 0.000 3.135) 3.700 21.701 ( -4.533 0.000 5.555) 7.170 22.196 ( 4.532 0.000 -3.242) 5.572 22.269 ( -3.711 0.000 -1.471) 3.992 22.549 ( 21.218 0.000 3.335) 21.479 23.021 ( -27.504 0.000 6.900) 28.356 23.208 ( 9.866 0.000 -2.866) 10.273 23.348 ( -4.871 0.000 -5.261) 7.170 25.257 ( 7.656 0.000 -1.349) 7.774 25.413 ( -8.642 0.000 -1.125) 8.715 27.636 ( 1.725 0.000 -1.107) 2.050 27.653 ( -0.029 0.000 -1.444) 1.444 ======================= Grid point 203 (69/80) ======================= q-point: ( 0.00 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.552 ( 0.000 7.269 -1.598) 7.442 1.852 ( 0.000 -5.093 -1.575) 5.331 1.896 ( 0.000 4.799 8.293) 9.581 2.238 ( 0.000 -6.434 2.044) 6.751 2.284 ( 0.000 8.053 4.091) 9.033 2.432 ( 0.000 -4.747 3.035) 5.634 2.543 ( 0.000 4.847 0.298) 4.856 2.919 ( 0.000 8.133 0.429) 8.144 3.002 ( 0.000 -12.591 1.306) 12.659 3.206 ( 0.000 -2.162 0.477) 2.214 3.416 ( 0.000 -6.746 -0.603) 6.773 3.838 ( 0.000 -11.449 -0.261) 11.452 3.975 ( 0.000 -4.257 -3.475) 5.495 4.702 ( 0.000 3.177 -0.173) 3.181 4.714 ( 0.000 0.372 1.563) 1.606 4.904 ( 0.000 -12.034 5.924) 13.413 5.014 ( 0.000 5.104 -4.328) 6.692 5.222 ( 0.000 13.423 -1.920) 13.560 6.011 ( 0.000 7.146 -4.428) 8.406 6.905 ( 0.000 1.774 14.926) 15.031 7.051 ( 0.000 -3.835 0.462) 3.863 7.125 ( 0.000 -7.029 12.788) 14.592 7.344 ( 0.000 -1.847 -9.249) 9.432 7.484 ( 0.000 -2.845 -0.713) 2.933 8.082 ( 0.000 7.074 8.211) 10.838 8.205 ( 0.000 -3.687 5.295) 6.452 8.232 ( 0.000 5.752 0.850) 5.814 8.338 ( 0.000 8.776 -8.086) 11.933 8.435 ( 0.000 -6.172 10.096) 11.833 8.761 ( 0.000 13.728 -10.841) 17.493 9.029 ( 0.000 4.219 9.952) 10.810 9.408 ( 0.000 3.044 -1.234) 3.285 9.542 ( 0.000 -1.573 4.917) 5.163 9.753 ( 0.000 1.174 1.386) 1.816 9.928 ( 0.000 6.512 6.091) 8.916 9.952 ( 0.000 -5.000 0.353) 5.013 10.138 ( 0.000 1.570 22.547) 22.602 10.553 ( 0.000 -2.763 -4.330) 5.137 10.695 ( 0.000 2.983 -2.176) 3.692 10.865 ( 0.000 2.602 -11.125) 11.425 11.312 ( 0.000 -8.756 4.237) 9.727 11.545 ( 0.000 -25.832 10.115) 27.741 11.723 ( 0.000 -21.103 -25.726) 33.275 12.224 ( 0.000 5.218 12.445) 13.494 12.374 ( 0.000 -23.442 -6.311) 24.277 12.383 ( 0.000 9.908 -3.988) 10.681 12.637 ( 0.000 18.587 5.002) 19.249 12.856 ( 0.000 5.876 7.659) 9.653 12.952 ( 0.000 13.027 -3.151) 13.403 13.027 ( 0.000 0.323 10.265) 10.270 13.424 ( 0.000 -5.861 -0.254) 5.867 13.468 ( 0.000 -6.481 -5.571) 8.547 13.600 ( 0.000 -1.590 -7.920) 8.078 13.741 ( 0.000 2.869 1.544) 3.258 13.782 ( 0.000 13.994 13.067) 19.146 14.146 ( 0.000 -4.799 2.764) 5.538 14.251 ( 0.000 24.832 -17.938) 30.633 14.289 ( 0.000 3.101 -5.278) 6.122 14.564 ( 0.000 13.416 -0.490) 13.425 15.047 ( 0.000 19.413 -4.261) 19.875 15.320 ( 0.000 -3.409 0.250) 3.418 15.474 ( 0.000 4.191 0.472) 4.217 15.533 ( 0.000 4.635 3.296) 5.688 15.622 ( 0.000 -18.476 -6.227) 19.497 15.984 ( 0.000 -2.872 0.732) 2.964 16.140 ( 0.000 -0.631 8.204) 8.228 16.302 ( 0.000 0.167 -6.640) 6.642 16.774 ( 0.000 -14.473 11.889) 18.730 17.328 ( 0.000 -9.576 -21.040) 23.117 17.530 ( 0.000 -1.405 -5.108) 5.298 17.764 ( 0.000 2.582 0.602) 2.651 17.967 ( 0.000 -5.611 -0.387) 5.625 18.270 ( 0.000 0.418 3.619) 3.643 18.439 ( 0.000 -2.126 3.182) 3.827 18.650 ( 0.000 1.867 0.668) 1.983 19.100 ( 0.000 -3.098 2.309) 3.864 20.999 ( 0.000 5.608 0.069) 5.608 21.376 ( 0.000 -1.628 1.768) 2.403 21.825 ( 0.000 1.135 1.604) 1.965 21.886 ( 0.000 0.348 13.121) 13.126 22.187 ( 0.000 -3.870 -11.520) 12.153 22.340 ( 0.000 -3.597 -1.610) 3.941 22.534 ( 0.000 10.145 4.146) 10.959 22.685 ( 0.000 3.165 -4.133) 5.205 22.759 ( 0.000 0.049 -0.658) 0.660 24.118 ( 0.000 -14.807 1.995) 14.941 25.137 ( 0.000 4.133 -0.208) 4.139 25.683 ( 0.000 -4.070 -0.314) 4.082 27.561 ( 0.000 2.754 -1.159) 2.988 27.610 ( 0.000 1.163 -1.278) 1.728 ======================= Grid point 204 (70/80) ======================= q-point: ( 0.14 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.640 ( 8.790 5.736 -0.307) 10.500 1.844 ( -0.214 -3.416 -1.117) 3.600 1.977 ( 7.415 3.745 7.364) 11.101 2.224 ( -2.311 0.182 2.694) 3.555 2.289 ( 1.301 2.625 1.317) 3.212 2.435 ( 0.313 -4.731 2.103) 5.187 2.521 ( -1.976 3.869 0.768) 4.412 2.883 ( -8.075 -3.196 3.213) 9.259 2.936 ( -1.580 -0.003 -1.849) 2.433 3.191 ( -1.751 -1.532 0.534) 2.388 3.460 ( 4.319 -6.511 -0.783) 7.852 3.819 ( -1.838 -10.634 -0.350) 10.797 3.972 ( -0.114 -5.209 -2.935) 5.980 4.697 ( -0.034 0.263 0.042) 0.269 4.757 ( 0.076 -4.592 5.064) 6.837 4.847 ( -3.097 -11.919 -1.508) 12.407 4.996 ( 1.305 13.303 -1.976) 13.512 5.317 ( 7.997 12.636 -1.565) 15.036 6.187 ( 17.279 3.832 -2.820) 17.922 6.869 ( -4.158 -7.017 11.776) 14.325 6.990 ( -5.149 1.044 5.227) 7.411 7.104 ( -2.933 6.323 7.444) 10.198 7.397 ( 8.904 -7.112 -7.869) 13.849 7.677 ( 13.187 -5.630 5.152) 15.236 7.824 ( -19.391 -1.009 -0.786) 19.433 8.134 ( 0.201 -0.521 4.175) 4.212 8.224 ( -10.683 -5.182 5.784) 13.207 8.303 ( -3.195 6.353 -0.412) 7.123 8.545 ( 10.094 13.385 2.838) 17.003 8.732 ( -2.117 12.760 -8.094) 15.258 9.088 ( 0.727 -1.374 6.137) 6.331 9.304 ( -6.876 4.653 0.197) 8.305 9.530 ( -3.282 2.493 8.903) 9.811 9.648 ( -5.251 5.757 0.127) 7.793 9.913 ( -1.897 6.196 -0.959) 6.550 9.989 ( 5.052 -6.487 8.186) 11.603 10.221 ( 7.176 2.473 20.612) 21.965 10.594 ( 0.379 -7.987 -5.565) 9.742 10.803 ( 9.286 4.603 -3.145) 10.831 10.978 ( 12.897 -0.048 -2.628) 13.162 11.183 ( -9.481 -16.819 4.491) 19.823 11.484 ( -2.352 -6.797 -15.101) 16.726 11.905 ( 7.446 -17.494 -5.298) 19.737 12.187 ( -0.333 2.555 11.847) 12.123 12.394 ( 4.483 -6.707 -0.831) 8.110 12.443 ( -11.307 15.293 -3.465) 19.332 12.500 ( 8.064 -7.144 -6.565) 12.616 12.915 ( 1.451 -1.586 10.797) 11.009 13.013 ( 3.960 9.186 1.484) 10.113 13.064 ( 4.077 4.066 4.393) 7.243 13.413 ( -3.802 -7.884 4.931) 10.046 13.453 ( -1.033 -7.152 -4.344) 8.431 13.559 ( -2.240 3.296 -9.894) 10.666 13.699 ( -4.134 1.908 1.702) 4.861 13.855 ( 5.191 14.504 10.929) 18.888 14.122 ( -2.869 2.720 -7.679) 8.637 14.159 ( -2.016 10.437 -0.409) 10.638 14.333 ( 1.702 3.742 -10.295) 11.085 14.567 ( 0.274 13.559 -3.944) 14.123 15.029 ( -2.697 16.045 -2.608) 16.478 15.239 ( -7.556 -6.758 4.763) 11.200 15.473 ( -4.982 4.471 2.840) 7.272 15.609 ( 3.197 -10.324 -2.318) 11.053 15.690 ( 11.943 2.061 -9.557) 15.434 15.817 ( -12.772 -4.378 0.338) 13.506 16.106 ( -3.118 1.564 7.198) 7.999 16.268 ( -2.830 1.635 -5.368) 6.285 16.857 ( 6.279 -9.991 14.790) 18.921 17.342 ( 1.512 -8.031 -22.043) 23.509 17.532 ( -0.337 0.576 -6.124) 6.160 17.782 ( 1.958 1.703 0.578) 2.658 17.971 ( 0.250 -5.394 -0.219) 5.404 18.258 ( -1.288 -0.073 3.694) 3.913 18.398 ( -4.254 -1.902 1.804) 4.997 18.677 ( 3.096 0.214 1.895) 3.636 19.090 ( -1.118 -3.360 2.429) 4.294 21.025 ( 2.706 5.206 0.295) 5.875 21.389 ( 1.304 -1.968 1.928) 3.048 21.846 ( -1.465 0.733 10.008) 10.142 21.894 ( 3.552 -0.216 3.429) 4.942 22.049 ( -17.968 0.524 -0.970) 18.001 22.185 ( 0.334 -4.062 -9.016) 9.895 22.521 ( -3.074 10.502 1.015) 10.989 22.833 ( 8.283 0.381 -1.629) 8.451 22.971 ( 18.639 -1.294 -1.220) 18.723 23.946 ( -17.604 -13.343 1.763) 22.160 25.139 ( 0.413 3.796 -0.365) 3.836 25.643 ( -4.197 -3.733 -0.432) 5.634 27.573 ( 1.328 2.154 -0.959) 2.707 27.624 ( 1.331 1.132 -1.522) 2.318 ======================= Grid point 205 (71/80) ======================= q-point: ( 0.29 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.824 ( 7.098 -0.046 2.524) 7.534 1.874 ( 6.413 2.640 -1.512) 7.097 2.109 ( 3.194 1.482 6.836) 7.690 2.162 ( -1.609 6.048 0.682) 6.296 2.333 ( 3.027 -0.473 -1.634) 3.472 2.444 ( 0.559 -3.847 1.553) 4.186 2.482 ( -1.988 2.284 0.643) 3.096 2.682 ( -11.020 -4.409 1.861) 12.014 2.943 ( 1.417 2.817 -1.430) 3.462 3.140 ( -3.668 -0.730 0.451) 3.767 3.557 ( 5.619 -5.697 -0.663) 8.029 3.779 ( -2.321 -8.277 -0.414) 8.607 3.987 ( 2.337 -8.229 -1.410) 8.669 4.544 ( -14.534 -19.186 5.379) 24.663 4.757 ( 4.397 1.601 -3.574) 5.888 4.910 ( 3.726 8.224 -2.004) 9.248 5.118 ( 11.970 7.299 -0.760) 14.040 5.464 ( 7.089 8.558 -1.120) 11.169 6.526 ( 13.273 -1.453 0.657) 13.369 6.703 ( -13.218 -5.350 6.069) 15.498 6.931 ( -0.723 3.737 10.377) 11.053 7.041 ( -3.508 8.535 2.200) 9.486 7.404 ( -10.231 -2.434 -2.888) 10.906 7.694 ( 8.349 -7.356 -3.248) 11.591 7.869 ( 2.942 -12.231 11.710) 17.187 8.005 ( -1.772 -9.378 1.744) 9.702 8.189 ( 2.541 -4.173 1.458) 5.099 8.310 ( 3.403 15.107 -1.108) 15.525 8.614 ( -2.882 11.269 3.130) 12.046 8.747 ( 4.439 11.068 -1.048) 11.971 8.894 ( -16.793 3.826 -4.912) 17.910 9.208 ( -8.289 5.551 2.719) 10.339 9.538 ( 6.725 6.265 18.174) 20.366 9.624 ( 0.748 8.901 5.127) 10.299 9.891 ( 0.642 4.412 -8.770) 9.839 10.119 ( 7.720 -5.074 11.609) 14.837 10.338 ( 3.083 1.748 12.187) 12.692 10.553 ( -2.390 -9.114 1.743) 9.582 10.929 ( -0.508 -6.719 8.182) 10.600 11.039 ( 3.203 -3.763 -4.940) 6.988 11.310 ( 9.373 3.543 -4.539) 11.000 11.503 ( 11.090 -6.536 -20.005) 23.789 11.749 ( -17.631 12.237 7.141) 22.618 12.292 ( -1.201 2.612 -10.520) 10.905 12.387 ( 11.875 -3.374 1.455) 12.430 12.499 ( 5.673 -13.877 3.435) 15.381 12.676 ( 10.056 -6.313 -5.601) 13.128 12.946 ( 1.900 -2.961 8.021) 8.759 13.033 ( -0.790 1.314 7.209) 7.370 13.113 ( -0.583 4.652 -1.033) 4.801 13.196 ( -16.031 -12.253 -0.164) 20.178 13.499 ( 3.568 5.904 0.825) 6.948 13.542 ( -5.135 -6.017 0.177) 7.912 13.622 ( 2.026 2.565 0.820) 3.370 13.880 ( -1.459 8.844 -5.791) 10.671 14.129 ( 1.734 2.553 0.586) 3.142 14.183 ( 3.782 6.282 3.700) 8.213 14.381 ( 4.462 -1.886 -11.519) 12.496 14.617 ( 6.285 13.650 -0.596) 15.039 14.895 ( -12.561 -2.174 4.791) 13.618 15.056 ( -10.908 -2.479 -7.055) 13.225 15.343 ( -9.580 4.010 2.830) 10.764 15.520 ( -9.647 -2.457 -0.530) 9.969 15.713 ( 7.038 -1.081 -5.066) 8.739 15.826 ( -7.029 5.551 -5.143) 10.328 16.153 ( 1.702 1.716 3.284) 4.077 16.272 ( 12.918 7.923 -2.493) 15.358 16.940 ( 1.989 -4.280 16.747) 17.399 17.372 ( 1.073 -4.059 -21.331) 21.740 17.501 ( -3.066 3.120 -8.987) 9.995 17.833 ( 3.347 0.047 0.544) 3.391 17.969 ( -0.627 -4.249 0.043) 4.295 18.225 ( -2.086 -1.611 3.605) 4.466 18.303 ( -5.116 -1.091 0.478) 5.253 18.764 ( 5.955 -3.159 3.179) 7.453 19.056 ( -2.709 -4.093 2.767) 5.634 21.096 ( 4.859 4.139 0.774) 6.430 21.411 ( 0.235 -2.217 2.311) 3.211 21.719 ( -11.636 0.437 1.319) 11.719 21.786 ( -5.360 0.032 8.186) 9.785 22.063 ( 9.525 0.349 -1.821) 9.704 22.231 ( 5.787 -3.326 -2.606) 7.166 22.443 ( -4.473 7.751 0.240) 8.953 23.023 ( 11.330 1.471 -2.363) 11.667 23.232 ( 6.592 -2.222 3.183) 7.651 23.526 ( -24.292 -9.386 -1.950) 26.115 25.167 ( 2.994 2.313 -0.821) 3.872 25.535 ( -7.088 -2.983 -0.703) 7.722 27.607 ( 2.092 1.194 -0.860) 2.558 27.649 ( 1.138 0.836 -1.645) 2.168 ======================= Grid point 206 (72/80) ======================= q-point: ( 0.43 0.17 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 189 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 4.578 0.719 0.205) 4.638 1.990 ( -2.223 2.710 4.420) 5.641 2.102 ( 5.665 3.877 -2.169) 7.199 2.193 ( -0.972 3.064 4.794) 5.772 2.383 ( 2.124 0.152 -2.182) 3.049 2.426 ( -2.412 1.549 0.295) 2.882 2.475 ( 1.143 -2.606 0.766) 2.946 2.523 ( -5.157 -2.318 1.511) 5.853 2.987 ( 3.346 0.979 -1.030) 3.635 3.062 ( -4.393 -0.025 -0.290) 4.403 3.655 ( 4.715 -5.162 -0.439) 7.005 3.729 ( -3.246 -5.884 -0.372) 6.730 4.079 ( 7.895 -12.407 0.677) 14.722 4.278 ( -13.098 -16.178 2.895) 21.016 4.861 ( 5.752 3.477 -2.988) 7.356 4.933 ( -1.380 6.541 -1.924) 6.956 5.385 ( 14.333 5.118 -1.150) 15.263 5.544 ( -0.746 3.403 -1.300) 3.718 6.460 ( -6.421 2.003 3.737) 7.695 6.531 ( -10.015 -1.069 3.744) 10.745 6.946 ( 1.489 4.492 5.690) 7.400 6.985 ( -2.596 6.455 3.576) 7.823 7.424 ( 11.053 -10.216 -0.440) 15.057 7.635 ( -9.639 -12.297 1.833) 15.732 8.044 ( 8.514 -8.539 6.441) 13.670 8.087 ( 5.938 -8.117 7.913) 12.797 8.207 ( 4.542 -0.931 -4.002) 6.125 8.415 ( 0.189 11.775 4.554) 12.626 8.501 ( -5.835 6.702 -2.319) 9.183 8.606 ( -10.449 0.854 -6.097) 12.128 8.855 ( 7.296 13.634 1.482) 15.534 9.023 ( -10.254 13.970 3.177) 17.618 9.640 ( 2.225 8.855 11.637) 14.791 9.651 ( 1.420 9.351 18.249) 20.555 9.981 ( 9.334 -0.788 -10.611) 14.154 10.164 ( -6.774 -4.864 4.280) 9.374 10.373 ( 6.151 -1.928 2.573) 6.941 10.504 ( -5.366 -5.243 17.246) 18.807 10.972 ( 8.347 -0.377 7.051) 10.933 11.109 ( -0.671 2.750 1.887) 3.402 11.309 ( -1.471 2.421 -14.754) 15.024 11.415 ( -13.619 10.125 -4.195) 17.481 11.913 ( 22.946 -4.127 -8.611) 24.853 12.211 ( -8.301 2.548 -7.639) 11.565 12.594 ( 8.122 -4.643 0.373) 9.363 12.638 ( 10.511 -10.094 0.116) 14.573 12.774 ( -2.951 -4.100 -1.851) 5.380 12.845 ( -17.261 -14.748 0.596) 22.712 12.986 ( 2.512 -1.071 6.369) 6.930 13.029 ( -0.682 -1.049 7.546) 7.649 13.138 ( 6.145 0.292 -5.684) 8.376 13.342 ( -12.638 -2.158 -0.695) 12.840 13.587 ( 5.453 8.658 1.417) 10.330 13.678 ( -2.464 4.063 6.833) 8.323 13.939 ( 9.862 -7.480 -10.253) 16.073 14.101 ( -5.308 -4.278 -2.823) 7.379 14.295 ( 8.938 6.019 8.508) 13.729 14.492 ( -0.931 -8.454 2.665) 8.913 14.596 ( -3.762 0.590 -4.014) 5.533 14.774 ( -7.518 -3.620 -5.719) 10.115 14.894 ( 5.744 3.913 -6.024) 9.197 15.122 ( -13.275 4.180 3.158) 14.272 15.479 ( 4.443 9.015 -2.183) 10.285 15.633 ( -10.890 9.645 -4.073) 15.107 15.880 ( 9.952 3.188 -3.546) 11.035 16.056 ( -8.300 3.643 -1.928) 9.268 16.638 ( 19.353 4.798 4.120) 20.361 16.900 ( -7.688 0.287 12.656) 14.811 17.380 ( 0.790 0.426 -17.559) 17.582 17.428 ( -4.054 3.057 -12.277) 13.285 17.896 ( 3.133 -1.335 0.407) 3.430 17.944 ( -2.009 -2.701 0.260) 3.376 18.200 ( 0.010 -2.433 2.361) 3.390 18.229 ( -2.841 -1.457 1.103) 3.378 18.882 ( 6.306 -5.004 3.475) 8.768 18.987 ( -4.724 -4.939 3.209) 7.550 21.205 ( 6.864 2.666 1.218) 7.463 21.344 ( -7.230 0.474 1.758) 7.456 21.622 ( 1.118 -0.840 2.678) 3.021 21.689 ( -4.940 -1.167 5.044) 7.156 22.203 ( 5.789 0.860 -2.613) 6.409 22.301 ( -4.057 2.839 -0.728) 5.004 22.524 ( 18.488 -2.125 2.937) 18.840 22.960 ( -26.075 -5.688 6.116) 27.380 23.224 ( 9.476 1.471 -3.050) 10.063 23.345 ( -3.083 -0.250 -4.960) 5.846 25.255 ( 6.367 -0.073 -1.133) 6.468 25.392 ( -7.907 -1.917 -1.012) 8.199 27.643 ( 1.559 0.617 -1.060) 1.984 27.659 ( -0.151 0.543 -1.402) 1.511 ======================= Grid point 210 (73/80) ======================= q-point: ( 0.00 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 112 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.693 ( 0.000 2.822 5.388) 6.083 1.812 ( 0.000 6.742 -5.746) 8.858 2.002 ( 0.000 -1.102 9.799) 9.860 2.072 ( 0.000 -3.770 2.127) 4.328 2.310 ( 0.000 -6.084 -2.947) 6.760 2.477 ( 0.000 6.463 8.700) 10.838 2.659 ( 0.000 -0.930 1.968) 2.177 2.794 ( 0.000 4.000 -7.949) 8.899 3.048 ( 0.000 -13.035 0.415) 13.042 3.097 ( 0.000 8.449 -0.145) 8.450 3.313 ( 0.000 -2.897 0.565) 2.952 3.487 ( 0.000 -19.269 -1.906) 19.363 3.976 ( 0.000 3.064 -0.524) 3.108 4.433 ( 0.000 -20.494 4.391) 20.959 4.734 ( 0.000 0.023 -0.705) 0.706 4.738 ( 0.000 0.527 -0.414) 0.670 5.419 ( 0.000 23.084 -1.649) 23.143 5.604 ( 0.000 21.536 -1.427) 21.583 6.145 ( 0.000 2.471 -2.336) 3.400 6.658 ( 0.000 -21.659 7.562) 22.941 7.005 ( 0.000 3.233 0.764) 3.322 7.102 ( 0.000 5.530 5.070) 7.503 7.387 ( 0.000 -6.295 1.658) 6.510 7.466 ( 0.000 8.214 7.444) 11.085 7.864 ( 0.000 -24.535 -2.563) 24.669 7.989 ( 0.000 -10.673 5.524) 12.018 8.350 ( 0.000 14.312 3.702) 14.783 8.666 ( 0.000 16.131 4.221) 16.674 8.667 ( 0.000 20.432 -5.013) 21.038 9.079 ( 0.000 9.666 -4.306) 10.582 9.086 ( 0.000 -0.347 4.756) 4.769 9.227 ( 0.000 -20.662 -0.328) 20.665 9.541 ( 0.000 2.229 10.251) 10.491 9.755 ( 0.000 -3.301 10.634) 11.135 9.979 ( 0.000 10.466 -9.802) 14.340 10.062 ( 0.000 5.877 14.031) 15.212 10.183 ( 0.000 4.488 26.837) 27.210 10.490 ( 0.000 -3.081 -11.027) 11.449 10.776 ( 0.000 4.114 -2.410) 4.768 10.885 ( 0.000 -0.796 -13.911) 13.934 10.961 ( 0.000 -21.414 3.623) 21.718 11.047 ( 0.000 -22.200 10.564) 24.585 11.564 ( 0.000 1.504 -22.690) 22.739 11.866 ( 0.000 -21.128 -18.531) 28.103 12.318 ( 0.000 8.077 5.053) 9.527 12.677 ( 0.000 14.884 -0.666) 14.899 12.932 ( 0.000 5.743 14.183) 15.302 12.957 ( 0.000 6.623 8.011) 10.394 12.982 ( 0.000 -6.999 6.569) 9.599 13.188 ( 0.000 -13.504 7.293) 15.348 13.292 ( 0.000 13.991 -9.427) 16.870 13.349 ( 0.000 -0.484 -1.741) 1.807 13.666 ( 0.000 5.795 -15.106) 16.180 13.808 ( 0.000 4.154 6.416) 7.643 14.020 ( 0.000 -3.876 -8.128) 9.005 14.069 ( 0.000 12.899 12.003) 17.619 14.501 ( 0.000 10.914 4.302) 11.732 14.809 ( 0.000 12.874 0.873) 12.903 14.815 ( 0.000 26.164 -7.185) 27.133 14.985 ( 0.000 -23.160 -0.444) 23.164 15.402 ( 0.000 11.544 -1.688) 11.667 15.474 ( 0.000 -0.727 -5.766) 5.812 15.600 ( 0.000 8.358 0.513) 8.374 15.671 ( 0.000 7.167 -0.245) 7.171 15.886 ( 0.000 -7.079 4.143) 8.202 15.999 ( 0.000 -13.801 -0.327) 13.804 16.234 ( 0.000 -3.472 -4.788) 5.914 16.407 ( 0.000 -18.646 4.226) 19.119 17.171 ( 0.000 -2.905 -16.251) 16.509 17.474 ( 0.000 -6.542 -6.054) 8.913 17.809 ( 0.000 1.528 0.827) 1.738 17.845 ( 0.000 -3.967 -0.707) 4.030 18.288 ( 0.000 1.427 2.283) 2.692 18.386 ( 0.000 -2.903 2.868) 4.081 18.723 ( 0.000 5.362 0.830) 5.426 19.005 ( 0.000 -6.192 1.908) 6.479 21.127 ( 0.000 6.251 0.287) 6.258 21.324 ( 0.000 -3.349 0.998) 3.494 21.856 ( 0.000 1.788 3.225) 3.688 21.898 ( 0.000 0.457 12.921) 12.929 22.133 ( 0.000 -0.949 -11.139) 11.179 22.248 ( 0.000 -4.912 -2.487) 5.506 22.682 ( 0.000 3.369 2.894) 4.441 22.753 ( 0.000 -0.653 -0.466) 0.802 22.876 ( 0.000 16.085 -1.688) 16.174 23.726 ( 0.000 -22.088 3.041) 22.296 25.254 ( 0.000 7.026 -0.201) 7.029 25.568 ( 0.000 -6.963 -0.261) 6.968 27.619 ( 0.000 2.407 -1.953) 3.100 27.636 ( 0.000 1.182 -1.581) 1.974 ======================= Grid point 211 (74/80) ======================= q-point: ( 0.14 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 2.806 0.620 5.853) 6.521 1.856 ( 4.820 7.862 -4.592) 10.302 2.032 ( 2.250 -6.034 7.745) 10.073 2.124 ( 5.460 0.957 2.185) 5.958 2.310 ( 0.250 -6.168 -2.924) 6.831 2.483 ( 0.525 6.986 6.789) 9.755 2.598 ( -5.538 0.016 3.011) 6.303 2.739 ( -4.916 2.153 -7.271) 9.037 3.056 ( -2.474 2.449 -0.203) 3.487 3.083 ( 0.506 -6.136 0.998) 6.237 3.341 ( 3.244 -3.729 -0.150) 4.945 3.498 ( 1.193 -16.558 -2.103) 16.733 3.948 ( -2.679 1.702 -0.351) 3.193 4.346 ( -8.538 -19.286 4.401) 21.546 4.746 ( 2.302 2.178 -1.764) 3.627 4.822 ( 7.532 -0.758 -1.061) 7.644 5.392 ( -1.633 22.579 -1.799) 22.709 5.669 ( 4.527 18.867 -1.008) 19.429 6.241 ( 9.999 -0.873 -1.617) 10.166 6.593 ( -4.372 -16.060 5.098) 17.407 7.088 ( -1.288 6.311 8.257) 10.472 7.174 ( 13.436 0.472 4.000) 14.027 7.351 ( -0.635 3.091 -1.931) 3.700 7.530 ( 3.393 -7.932 10.194) 13.355 7.700 ( -14.527 -11.147 -2.701) 18.509 7.968 ( -2.743 -11.566 6.092) 13.357 8.169 ( -12.788 7.780 -1.850) 15.082 8.648 ( 0.079 19.931 -1.395) 19.979 8.804 ( -2.725 0.983 0.715) 2.983 8.996 ( -1.935 5.037 0.167) 5.399 9.026 ( 4.341 4.932 -0.252) 6.576 9.352 ( 4.510 0.496 4.825) 6.623 9.634 ( 3.795 5.107 6.575) 9.150 9.722 ( -0.212 -0.638 9.793) 9.816 9.914 ( -1.263 3.621 -3.931) 5.492 10.051 ( -0.719 6.807 16.089) 17.485 10.225 ( 2.176 -4.515 15.185) 15.991 10.446 ( -3.038 -3.952 -4.013) 6.399 10.784 ( -5.149 -11.868 7.136) 14.774 10.900 ( 7.569 2.274 -8.978) 11.961 10.989 ( 11.975 -2.348 -7.219) 14.179 11.330 ( 18.441 -21.983 5.777) 29.269 11.596 ( 2.734 3.952 -22.284) 22.796 11.987 ( 11.318 -17.975 -15.988) 26.586 12.277 ( -3.559 6.201 6.426) 9.614 12.686 ( -0.175 11.896 -0.379) 11.904 12.816 ( -9.217 14.376 8.821) 19.221 12.926 ( -4.479 -4.742 5.777) 8.713 12.999 ( 0.847 -2.949 7.177) 7.805 13.115 ( -7.325 -10.290 7.575) 14.728 13.246 ( -3.459 6.326 -7.677) 10.532 13.392 ( 3.309 1.470 -2.757) 4.551 13.655 ( -2.077 4.911 -5.875) 7.934 13.754 ( -2.619 3.880 0.953) 4.777 14.016 ( -0.240 -4.817 -7.255) 8.712 14.136 ( 3.099 8.171 9.243) 12.720 14.499 ( -1.410 8.344 4.032) 9.373 14.582 ( -14.098 21.356 -1.909) 25.661 14.781 ( -4.575 6.919 -6.678) 10.649 14.975 ( -2.610 -8.175 1.849) 8.778 15.276 ( -13.334 0.154 -2.402) 13.549 15.492 ( 2.014 -3.004 1.212) 3.815 15.602 ( -4.505 6.515 -2.405) 8.278 15.733 ( -6.076 3.069 -4.402) 8.106 15.831 ( 11.582 5.368 -1.051) 12.809 16.015 ( 2.140 -12.247 2.598) 12.701 16.249 ( 3.513 0.924 -4.502) 5.785 16.604 ( 14.432 -13.526 8.799) 21.649 17.216 ( 4.688 -1.495 -17.907) 18.571 17.526 ( 4.746 -4.270 -6.123) 8.846 17.808 ( -0.168 0.380 0.178) 0.452 17.847 ( 0.332 -3.818 -0.186) 3.837 18.267 ( -2.319 1.038 2.532) 3.587 18.350 ( -3.632 -2.610 2.324) 5.041 18.716 ( -0.438 4.047 1.299) 4.273 18.988 ( -1.841 -6.560 1.978) 7.095 21.145 ( 1.847 5.866 0.482) 6.169 21.333 ( 0.884 -3.414 1.162) 3.713 21.869 ( -2.868 1.366 11.156) 11.599 21.894 ( 1.230 0.187 5.930) 6.059 22.054 ( -11.547 0.097 -3.894) 12.187 22.113 ( -0.972 -2.960 -9.375) 9.880 22.774 ( -2.040 12.289 4.943) 13.402 22.861 ( 8.011 3.719 -2.749) 9.250 22.939 ( 14.089 -1.080 -2.436) 14.338 23.592 ( -13.774 -20.038 2.421) 24.436 25.246 ( -0.712 6.489 -0.322) 6.536 25.536 ( -3.287 -6.437 -0.397) 7.239 27.621 ( 0.425 2.144 -1.478) 2.638 27.648 ( 0.956 0.902 -1.778) 2.211 ======================= Grid point 212 (75/80) ======================= q-point: ( 0.29 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.790 ( 4.518 -0.857 3.884) 6.019 1.977 ( 6.386 4.133 2.278) 7.940 2.070 ( 2.417 -4.673 0.588) 5.294 2.236 ( 4.952 3.656 1.992) 6.470 2.328 ( 2.001 -6.491 -1.297) 6.915 2.489 ( -2.264 12.282 -0.042) 12.489 2.496 ( -2.222 -4.541 6.785) 8.461 2.641 ( -5.087 4.912 -4.512) 8.388 2.992 ( -3.083 0.515 0.453) 3.158 3.070 ( -2.264 -6.844 0.643) 7.238 3.429 ( 5.525 -5.163 -0.643) 7.590 3.529 ( 2.011 -11.928 -1.980) 12.257 3.895 ( -2.509 -1.439 -0.337) 2.912 4.153 ( -11.102 -16.223 3.082) 19.899 4.821 ( 5.810 4.327 -3.517) 8.053 4.989 ( 8.856 -1.286 -1.700) 9.109 5.385 ( 1.729 18.607 -1.690) 18.763 5.717 ( 0.233 12.771 -0.872) 12.803 6.444 ( 7.540 -7.956 0.028) 10.961 6.533 ( -1.412 -8.202 2.571) 8.711 7.059 ( -1.406 8.293 12.851) 15.359 7.249 ( -2.637 10.841 4.176) 11.913 7.366 ( -13.201 -2.962 0.342) 13.533 7.509 ( 7.893 -8.893 -3.408) 12.370 7.641 ( 5.917 -10.296 9.251) 15.053 7.840 ( -7.330 -7.049 9.358) 13.820 8.032 ( -0.976 -2.592 -9.494) 9.890 8.644 ( -3.740 -3.573 0.028) 5.173 8.685 ( -2.529 5.163 -3.446) 6.703 8.884 ( -6.313 9.502 0.747) 11.432 9.193 ( -0.520 21.080 0.310) 21.088 9.365 ( 3.362 9.991 5.149) 11.732 9.636 ( 2.358 1.170 15.912) 16.129 9.806 ( 3.673 6.572 5.599) 9.382 9.973 ( 1.729 0.361 -5.513) 5.789 10.047 ( 2.953 -1.278 16.721) 17.028 10.193 ( -1.894 -11.596 -4.273) 12.502 10.451 ( 0.928 -5.019 17.956) 18.667 10.824 ( 9.758 4.282 4.976) 11.761 11.052 ( 9.194 2.364 -10.660) 14.274 11.288 ( 19.225 -6.848 -2.885) 20.611 11.554 ( -1.158 11.638 -10.511) 15.725 11.693 ( 9.873 -17.372 -3.491) 20.284 12.177 ( 3.359 -8.845 0.672) 9.485 12.268 ( 7.909 -1.298 -5.369) 9.647 12.531 ( -12.065 12.073 -0.052) 17.068 12.761 ( -4.645 -4.339 1.106) 6.452 12.769 ( -8.015 -7.547 0.101) 11.009 12.969 ( -3.319 -0.158 4.717) 5.770 13.019 ( -1.111 -1.453 12.005) 12.143 13.179 ( -3.654 1.403 -7.834) 8.757 13.417 ( -3.788 -5.185 -3.875) 7.500 13.602 ( -0.039 4.882 7.081) 8.601 13.752 ( 1.296 5.969 -4.245) 7.439 14.007 ( -1.691 -2.750 -4.883) 5.854 14.102 ( -5.638 -6.775 -4.860) 10.065 14.292 ( -9.686 10.283 -0.803) 14.149 14.558 ( 2.144 16.483 5.476) 17.500 14.763 ( 2.880 2.534 -1.798) 4.236 14.864 ( -10.098 2.138 2.720) 10.674 14.988 ( -12.392 -4.448 -7.477) 15.141 15.380 ( -10.631 -1.386 3.184) 11.184 15.642 ( 2.446 9.620 -0.759) 9.955 15.707 ( 6.436 0.650 -5.594) 8.552 15.901 ( -3.790 1.029 -3.359) 5.168 16.053 ( 0.036 -11.074 -0.597) 11.090 16.457 ( 17.256 10.225 -0.429) 20.062 16.831 ( 9.074 -6.264 12.650) 16.781 17.331 ( 6.999 2.215 -19.058) 20.423 17.599 ( 1.451 3.867 -7.351) 8.432 17.809 ( 0.915 -4.141 -0.895) 4.334 17.859 ( 0.798 -3.565 0.201) 3.658 18.205 ( -4.001 -0.063 3.545) 5.346 18.267 ( -4.745 -2.208 1.203) 5.371 18.720 ( 1.256 0.043 2.265) 2.590 18.936 ( -3.682 -7.276 2.227) 8.453 21.194 ( 3.400 4.895 0.939) 6.034 21.354 ( 1.195 -3.169 1.635) 3.761 21.734 ( -10.427 1.053 2.705) 10.823 21.781 ( -7.504 -0.667 6.821) 10.163 22.078 ( 8.379 1.150 -2.046) 8.701 22.167 ( 7.152 -2.978 -2.396) 8.109 22.642 ( -9.369 11.624 2.066) 15.072 23.068 ( 11.961 2.940 -2.788) 12.629 23.150 ( -2.058 -6.947 6.770) 9.916 23.293 ( -8.722 -11.172 -6.082) 15.423 25.237 ( 0.025 4.414 -0.580) 4.452 25.451 ( -5.630 -5.028 -0.628) 7.575 27.636 ( 1.156 1.504 -1.069) 2.177 27.664 ( 0.689 0.417 -1.615) 1.805 ======================= Grid point 213 (76/80) ======================= q-point: ( 0.43 0.33 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 190 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.888 ( 5.823 -1.694 1.953) 6.371 1.988 ( -4.032 -3.941 2.994) 6.384 2.176 ( 6.980 4.016 -0.427) 8.064 2.265 ( -1.915 3.211 1.074) 3.890 2.383 ( 3.010 -4.334 2.253) 5.738 2.428 ( -2.322 -2.711 4.093) 5.431 2.508 ( 1.546 9.148 -1.351) 9.376 2.558 ( -3.758 8.405 -1.329) 9.302 2.969 ( 0.840 -3.851 0.416) 3.963 3.013 ( -3.283 -5.793 0.537) 6.680 3.522 ( 3.932 -6.282 -0.725) 7.447 3.557 ( 0.294 -8.416 -1.176) 8.503 3.878 ( 1.466 -6.013 -0.357) 6.199 3.968 ( -8.011 -11.695 0.913) 14.205 4.953 ( 7.701 5.179 -3.850) 10.047 5.061 ( -2.213 3.598 -3.007) 5.185 5.500 ( 10.067 7.460 -1.248) 12.591 5.667 ( -6.048 6.101 -1.146) 8.667 6.457 ( -0.528 -2.510 1.390) 2.917 6.506 ( -4.518 -1.304 1.317) 4.883 7.075 ( 3.668 7.325 11.967) 14.503 7.164 ( -5.414 9.776 7.254) 13.323 7.284 ( 3.589 -1.083 -0.840) 3.842 7.420 ( -9.576 -7.036 0.500) 11.893 7.763 ( 4.594 -16.299 3.372) 17.267 7.827 ( -0.951 -16.244 8.788) 18.494 8.158 ( 15.372 0.555 -7.632) 17.171 8.464 ( -14.405 -7.894 -4.118) 16.934 8.719 ( 3.212 13.179 -0.084) 13.565 8.785 ( -4.064 10.517 1.700) 11.402 9.174 ( 3.750 14.993 0.353) 15.459 9.321 ( -8.958 12.707 6.419) 16.820 9.751 ( 7.343 0.737 14.990) 16.708 9.832 ( -1.337 4.853 18.203) 18.886 9.984 ( 3.281 1.120 -7.279) 8.062 10.063 ( -3.295 -1.489 -8.654) 9.379 10.276 ( 8.500 -4.817 12.949) 16.221 10.412 ( -5.096 -5.460 13.377) 15.321 11.079 ( 14.424 10.414 6.727) 19.020 11.219 ( 5.124 9.666 0.276) 10.944 11.443 ( -1.426 11.709 -15.697) 19.635 11.643 ( -11.394 7.255 -2.159) 13.680 11.731 ( 21.621 -12.936 -0.286) 25.197 12.130 ( -13.970 -14.234 2.875) 20.150 12.422 ( 4.715 -1.473 -10.293) 11.417 12.492 ( 11.438 -8.957 5.959) 15.702 12.525 ( -7.681 -11.478 -9.577) 16.806 12.713 ( -8.162 -4.571 5.146) 10.677 12.961 ( 2.211 -0.967 6.866) 7.278 13.008 ( -1.112 -1.270 6.069) 6.299 13.133 ( 0.633 -0.409 -7.083) 7.123 13.250 ( -10.492 -6.069 -2.380) 12.352 13.682 ( 6.340 1.070 4.454) 7.821 13.768 ( -1.064 3.266 4.084) 5.337 13.932 ( -3.027 -1.351 -11.730) 12.189 13.979 ( -6.408 3.251 -10.849) 13.013 14.295 ( 8.277 -3.887 0.148) 9.146 14.499 ( -10.767 -2.317 6.481) 12.778 14.708 ( -0.495 11.435 -6.616) 13.220 14.765 ( -4.146 10.474 -3.422) 11.773 14.972 ( 8.597 1.857 2.950) 9.277 15.170 ( -11.462 0.256 3.794) 12.076 15.692 ( 4.110 9.604 -3.140) 10.908 15.794 ( -6.404 5.146 -3.549) 8.949 15.868 ( 8.654 -5.217 -3.034) 10.551 16.001 ( -5.247 -8.914 -2.129) 10.560 16.765 ( 13.642 6.816 4.033) 15.775 16.912 ( -1.407 0.346 10.245) 10.347 17.454 ( 6.120 7.527 -15.557) 18.334 17.560 ( -4.813 9.289 -10.303) 14.683 17.844 ( 2.095 -5.111 -1.530) 5.732 17.867 ( -0.205 -3.993 -1.050) 4.134 18.152 ( -0.689 -1.755 3.696) 4.149 18.185 ( -3.699 -2.480 1.900) 4.842 18.770 ( 3.940 -4.726 2.781) 6.752 18.855 ( -4.796 -7.182 2.611) 9.022 21.270 ( 4.686 3.313 1.456) 5.921 21.349 ( -2.693 -0.208 1.947) 3.329 21.608 ( -1.656 -0.256 2.072) 2.665 21.656 ( -5.485 -1.930 3.753) 6.921 22.237 ( 8.647 2.482 -1.034) 9.055 22.350 ( 4.660 0.147 1.055) 4.780 22.503 ( 2.129 2.088 1.761) 3.463 22.806 ( -21.517 -8.876 4.397) 23.688 23.263 ( 7.948 2.204 -3.475) 8.950 23.335 ( 0.769 -0.899 -4.437) 4.592 25.261 ( 2.850 0.781 -0.759) 3.051 25.342 ( -5.563 -2.722 -0.768) 6.240 27.658 ( 1.020 0.772 -1.014) 1.632 27.670 ( -0.161 0.340 -1.255) 1.310 ======================= Grid point 217 (77/80) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.800 ( 0.000 -9.596 5.697) 11.159 1.800 ( 0.000 9.596 5.697) 11.159 2.016 ( 0.000 -9.437 -3.889) 10.207 2.016 ( 0.000 9.437 -3.889) 10.207 2.349 ( 0.000 -10.322 5.758) 11.820 2.349 ( 0.000 10.322 5.758) 11.820 2.779 ( 0.000 -11.695 -0.797) 11.722 2.779 ( 0.000 11.695 -0.797) 11.722 3.093 ( 0.000 -18.333 -2.839) 18.552 3.093 ( 0.000 18.333 -2.839) 18.552 3.242 ( 0.000 -5.391 -0.130) 5.393 3.242 ( 0.000 5.391 -0.130) 5.393 4.112 ( 0.000 -10.815 2.021) 11.002 4.112 ( 0.000 10.815 2.021) 11.002 4.738 ( 0.000 -0.231 -0.426) 0.484 4.738 ( 0.000 0.231 -0.426) 0.484 5.826 ( 0.000 -11.236 -1.718) 11.366 5.826 ( 0.000 11.236 -1.718) 11.366 6.219 ( 0.000 -17.114 1.083) 17.149 6.219 ( 0.000 17.114 1.083) 17.149 7.235 ( 0.000 -3.971 4.742) 6.186 7.235 ( 0.000 3.971 4.742) 6.186 7.290 ( 0.000 -17.913 4.594) 18.492 7.290 ( 0.000 17.913 4.594) 18.492 7.756 ( 0.000 -10.817 1.331) 10.898 7.756 ( 0.000 10.817 1.331) 10.898 8.736 ( 0.000 -22.438 0.347) 22.441 8.736 ( 0.000 22.438 0.347) 22.441 8.951 ( 0.000 -7.270 5.021) 8.836 8.951 ( 0.000 7.270 5.021) 8.836 9.056 ( 0.000 -9.520 -3.720) 10.221 9.056 ( 0.000 9.520 -3.720) 10.221 9.639 ( 0.000 -6.503 9.922) 11.863 9.639 ( 0.000 6.503 9.922) 11.863 10.131 ( 0.000 -0.816 16.535) 16.555 10.131 ( 0.000 0.816 16.535) 16.555 10.384 ( 0.000 -10.703 -1.775) 10.849 10.384 ( 0.000 10.703 -1.775) 10.849 10.706 ( 0.000 -2.004 3.699) 4.207 10.706 ( 0.000 2.004 3.699) 4.207 10.863 ( 0.000 -1.446 -6.984) 7.132 10.863 ( 0.000 1.446 -6.984) 7.132 11.601 ( 0.000 -4.670 -23.789) 24.243 11.601 ( 0.000 4.671 -23.789) 24.243 12.637 ( 0.000 -20.733 2.521) 20.886 12.637 ( 0.000 20.733 2.521) 20.886 12.906 ( 0.000 -7.490 9.221) 11.880 12.906 ( 0.000 7.490 9.221) 11.880 13.056 ( 0.000 -5.297 7.193) 8.933 13.056 ( 0.000 5.297 7.193) 8.933 13.406 ( 0.000 -2.043 -3.446) 4.006 13.406 ( 0.000 2.043 -3.446) 4.006 13.790 ( 0.000 -5.635 -4.523) 7.225 13.790 ( 0.000 5.635 -4.523) 7.225 14.158 ( 0.000 -9.711 -1.490) 9.825 14.158 ( 0.000 9.711 -1.490) 9.825 14.593 ( 0.000 -5.803 5.422) 7.942 14.593 ( 0.000 5.803 5.422) 7.942 15.170 ( 0.000 -11.403 8.851) 14.435 15.170 ( 0.000 11.403 8.851) 14.435 15.404 ( 0.000 -6.013 -9.316) 11.087 15.404 ( 0.000 6.013 -9.316) 11.087 15.752 ( 0.000 -2.193 -3.548) 4.171 15.752 ( 0.000 2.193 -3.548) 4.171 15.782 ( 0.000 -8.238 0.222) 8.241 15.782 ( 0.000 8.238 0.222) 8.241 16.184 ( 0.000 -0.998 -1.501) 1.802 16.184 ( 0.000 0.998 -1.501) 1.802 17.264 ( 0.000 -10.638 -10.631) 15.040 17.264 ( 0.000 10.638 -10.631) 15.040 17.822 ( 0.000 -0.047 0.438) 0.440 17.822 ( 0.000 0.047 0.438) 0.440 18.329 ( 0.000 -2.495 2.238) 3.352 18.329 ( 0.000 2.495 2.238) 3.352 18.859 ( 0.000 -7.505 1.336) 7.623 18.859 ( 0.000 7.505 1.336) 7.623 21.241 ( 0.000 -4.822 0.554) 4.853 21.241 ( 0.000 4.822 0.554) 4.853 21.890 ( 0.000 -1.269 7.519) 7.625 21.890 ( 0.000 1.269 7.519) 7.625 22.159 ( 0.000 -3.294 -6.035) 6.875 22.159 ( 0.000 3.294 -6.035) 6.875 22.730 ( 0.000 -1.679 0.220) 1.694 22.730 ( 0.000 1.679 0.220) 1.694 23.269 ( 0.000 -21.618 2.102) 21.720 23.269 ( 0.000 21.618 2.102) 21.720 25.411 ( 0.000 -8.017 -0.216) 8.020 25.411 ( 0.000 8.017 -0.216) 8.020 27.647 ( 0.000 -0.319 -1.948) 1.974 27.647 ( 0.000 0.319 -1.948) 1.974 ======================= Grid point 219 (78/80) ======================= q-point: ( 0.14 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( 1.642 -9.173 5.799) 10.976 1.815 ( 1.642 9.173 5.799) 10.976 2.062 ( 4.591 -9.341 -3.834) 11.092 2.062 ( 4.591 9.341 -3.834) 11.092 2.349 ( 0.147 -9.462 4.937) 10.674 2.349 ( 0.147 9.462 4.937) 10.674 2.757 ( -2.068 -8.806 -0.851) 9.085 2.757 ( -2.068 8.806 -0.851) 9.085 3.040 ( -4.497 -9.066 -1.493) 10.230 3.040 ( -4.497 9.066 -1.493) 10.230 3.298 ( 4.751 -1.558 -0.921) 5.084 3.298 ( 4.751 1.558 -0.921) 5.084 4.053 ( -5.724 -9.292 2.031) 11.101 4.053 ( -5.724 9.292 2.031) 11.101 4.790 ( 5.277 -2.039 -1.196) 5.782 4.790 ( 5.277 2.039 -1.196) 5.782 5.805 ( -2.059 -12.934 -1.654) 13.200 5.805 ( -2.059 12.934 -1.654) 13.200 6.278 ( 5.441 -12.581 0.983) 13.743 6.278 ( 5.441 12.581 0.983) 13.743 7.254 ( 0.581 -10.641 7.216) 12.870 7.254 ( 0.581 10.641 7.216) 12.870 7.306 ( 3.175 -11.200 3.426) 12.135 7.306 ( 3.175 11.200 3.426) 12.135 7.721 ( -3.917 -11.034 1.553) 11.811 7.721 ( -3.917 11.034 1.553) 11.811 8.482 ( -16.136 -19.853 -1.625) 25.634 8.482 ( -16.136 19.853 -1.625) 25.634 8.992 ( -3.222 -10.355 -0.986) 10.889 8.992 ( -3.222 10.355 -0.986) 10.889 9.249 ( 18.287 -11.114 3.207) 21.639 9.249 ( 18.287 11.114 3.207) 21.639 9.683 ( 3.313 -1.463 13.657) 14.129 9.683 ( 3.313 1.463 13.657) 14.129 10.066 ( -8.468 -8.189 -4.292) 12.537 10.066 ( -8.468 8.189 -4.292) 12.537 10.265 ( -4.793 -13.511 16.475) 21.839 10.265 ( -4.793 13.511 16.475) 21.839 10.828 ( 10.811 -12.889 3.557) 17.195 10.828 ( 10.811 12.889 3.557) 17.195 10.992 ( 11.096 -5.438 -10.231) 16.042 10.992 ( 11.096 5.438 -10.231) 16.042 11.726 ( 11.640 -8.047 -19.803) 24.339 11.726 ( 11.640 8.047 -19.803) 24.339 12.558 ( -8.083 -20.113 3.133) 21.902 12.558 ( -8.083 20.113 3.133) 21.902 12.878 ( -3.031 -6.171 9.121) 11.422 12.878 ( -3.031 6.171 9.121) 11.422 13.043 ( -1.328 -3.911 5.845) 7.157 13.043 ( -1.328 3.911 5.845) 7.157 13.383 ( -3.204 -5.174 -5.112) 7.948 13.383 ( -3.204 5.174 -5.112) 7.948 13.777 ( -1.565 -4.882 2.065) 5.527 13.777 ( -1.565 4.882 2.065) 5.527 14.051 ( -8.115 -11.024 -8.384) 16.052 14.051 ( -8.115 11.024 -8.384) 16.052 14.652 ( 4.078 -8.674 9.124) 13.233 14.652 ( 4.078 8.674 9.124) 13.233 15.034 ( -16.055 -9.940 0.303) 18.885 15.034 ( -16.055 9.940 0.303) 18.885 15.246 ( -6.214 -15.402 -3.611) 16.996 15.246 ( -6.214 15.402 -3.611) 16.996 15.762 ( 1.049 -9.566 -3.194) 10.139 15.762 ( 1.049 9.566 -3.194) 10.139 15.864 ( 2.126 -3.886 -2.432) 5.053 15.864 ( 2.126 3.886 -2.432) 5.053 16.353 ( 16.178 -9.698 1.465) 18.919 16.353 ( 16.178 9.698 1.465) 18.919 17.330 ( 6.718 -11.128 -10.855) 16.935 17.330 ( 6.718 11.128 -10.855) 16.935 17.821 ( -0.240 -0.995 0.441) 1.115 17.821 ( -0.240 0.995 0.441) 1.115 18.300 ( -3.034 -2.126 2.233) 4.325 18.300 ( -3.034 2.126 2.233) 4.325 18.839 ( -2.134 -7.366 1.437) 7.803 18.839 ( -2.134 7.366 1.437) 7.803 21.251 ( 1.154 -4.551 0.723) 4.750 21.251 ( 1.154 4.551 0.723) 4.750 21.892 ( -1.999 -0.643 9.898) 10.119 21.892 ( -1.999 0.643 9.898) 10.119 22.066 ( -4.780 -1.423 -7.884) 9.329 22.066 ( -4.780 1.423 -7.884) 9.329 22.876 ( 12.286 -2.374 0.516) 12.524 22.876 ( 12.286 2.374 0.516) 12.524 23.178 ( -9.159 -19.392 0.983) 21.469 23.178 ( -9.159 19.392 0.983) 21.469 25.392 ( -2.051 -7.426 -0.340) 7.711 25.392 ( -2.051 7.426 -0.340) 7.711 27.651 ( 0.401 -0.685 -1.758) 1.929 27.651 ( 0.401 0.685 -1.758) 1.929 ======================= Grid point 221 (79/80) ======================= q-point: ( 0.29 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.856 ( 2.494 -7.516 4.682) 9.200 1.856 ( 2.494 7.516 4.682) 9.200 2.168 ( 6.172 -7.960 -2.202) 10.311 2.168 ( 6.172 7.960 -2.202) 10.311 2.355 ( 0.312 -6.686 3.616) 7.607 2.355 ( 0.312 6.686 3.616) 7.607 2.718 ( -1.745 -4.281 -1.482) 4.854 2.718 ( -1.745 4.281 -1.482) 4.854 2.949 ( -4.973 -0.798 0.327) 5.048 2.949 ( -4.973 0.798 0.327) 5.048 3.391 ( 4.836 -1.847 -1.162) 5.306 3.391 ( 4.836 1.847 -1.162) 5.306 3.930 ( -6.683 -5.685 1.184) 8.853 3.930 ( -6.682 5.685 1.184) 8.853 4.918 ( 7.876 -4.725 -2.486) 9.515 4.918 ( 7.876 4.725 -2.486) 9.515 5.750 ( -3.938 -12.583 -1.647) 13.287 5.750 ( -3.938 12.583 -1.647) 13.287 6.382 ( 5.011 -5.632 0.803) 7.581 6.382 ( 5.011 5.632 0.803) 7.581 7.241 ( -1.682 -8.699 12.796) 15.564 7.241 ( -1.682 8.699 12.796) 15.564 7.401 ( 5.315 -6.034 -3.159) 8.640 7.401 ( 5.315 6.034 -3.159) 8.640 7.606 ( -7.967 -11.623 6.057) 15.338 7.606 ( -7.967 11.623 6.056) 15.338 8.264 ( -5.494 -19.497 -5.612) 21.020 8.264 ( -5.494 19.497 -5.612) 21.020 8.927 ( -3.166 -5.983 -1.025) 6.846 8.927 ( -3.166 5.983 -1.025) 6.846 9.542 ( 6.622 -5.404 8.940) 12.368 9.542 ( 6.622 5.404 8.940) 12.368 9.658 ( -2.768 -16.660 9.491) 19.373 9.658 ( -2.768 16.660 9.491) 19.373 9.977 ( 3.017 -2.488 -9.700) 10.458 9.977 ( 3.017 2.488 -9.700) 10.458 10.251 ( 1.235 -10.926 19.988) 22.813 10.251 ( 1.235 10.926 19.988) 22.813 11.059 ( 13.478 -10.234 2.179) 17.063 11.059 ( 13.478 10.234 2.179) 17.063 11.256 ( 17.434 -14.884 -7.435) 24.099 11.256 ( 17.434 14.884 -7.435) 24.099 11.912 ( 3.499 -16.307 -12.183) 20.654 11.912 ( 3.499 16.307 -12.183) 20.654 12.392 ( -6.336 -12.462 1.398) 14.050 12.392 ( -6.336 12.462 1.398) 14.050 12.773 ( -9.285 -7.410 7.232) 13.907 12.773 ( -9.285 7.410 7.232) 13.907 13.010 ( -2.176 -1.152 5.116) 5.678 13.010 ( -2.176 1.152 5.116) 5.678 13.266 ( -8.294 -8.550 -6.640) 13.638 13.266 ( -8.294 8.550 -6.640) 13.638 13.740 ( -1.540 -7.851 6.827) 10.517 13.740 ( -1.540 7.851 6.827) 10.517 13.961 ( -0.813 -4.294 -13.860) 14.532 13.961 ( -0.813 4.294 -13.860) 14.532 14.582 ( -14.010 -13.692 6.790) 20.733 14.582 ( -14.010 13.692 6.790) 20.733 14.852 ( 1.760 -2.111 -3.566) 4.502 14.852 ( 1.760 2.111 -3.566) 4.502 15.159 ( -4.712 -17.932 1.163) 18.577 15.159 ( -4.712 17.932 1.163) 18.577 15.786 ( 1.416 -10.791 -2.937) 11.273 15.786 ( 1.416 10.791 -2.937) 11.273 15.856 ( -1.710 -6.420 -3.594) 7.553 15.856 ( -1.710 6.420 -3.594) 7.553 16.668 ( 15.526 -9.721 4.333) 18.824 16.668 ( 15.526 9.721 4.333) 18.824 17.489 ( 9.493 -11.151 -11.335) 18.518 17.489 ( 9.493 11.151 -11.335) 18.518 17.808 ( -1.273 -2.997 0.085) 3.257 17.808 ( -1.273 2.997 0.085) 3.257 18.224 ( -4.798 -1.772 2.469) 5.680 18.224 ( -4.798 1.772 2.469) 5.680 18.788 ( -3.019 -6.199 1.797) 7.125 18.788 ( -3.019 6.199 1.797) 7.125 21.284 ( 2.250 -3.853 1.184) 4.616 21.284 ( 2.250 3.853 1.184) 4.616 21.759 ( -9.271 -1.283 4.680) 10.464 21.759 ( -9.271 1.283 4.680) 10.464 22.112 ( 7.742 -2.248 -2.113) 8.334 22.112 ( 7.742 2.248 -2.113) 8.334 22.909 ( -14.076 -13.996 4.912) 20.448 22.909 ( -14.076 13.996 4.912) 20.448 23.147 ( 10.735 -4.566 -4.781) 12.607 23.147 ( 10.735 4.566 -4.781) 12.607 25.340 ( -3.163 -5.512 -0.540) 6.378 25.340 ( -3.163 5.512 -0.540) 6.378 27.661 ( 0.598 -0.759 -1.366) 1.673 27.661 ( 0.598 0.759 -1.366) 1.673 ======================= Grid point 223 (80/80) ======================= q-point: ( 0.43 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 126 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.893 ( 1.161 -3.151 2.744) 4.337 1.893 ( 1.161 3.151 2.744) 4.337 2.269 ( 4.017 -4.514 0.464) 6.060 2.269 ( 4.017 4.514 0.464) 6.060 2.351 ( -0.890 -3.352 2.949) 4.552 2.351 ( -0.890 3.352 2.949) 4.552 2.701 ( -0.180 -1.889 -2.132) 2.855 2.701 ( -0.180 1.889 -2.132) 2.855 2.872 ( -2.643 -1.456 1.369) 3.314 2.872 ( -2.643 1.456 1.369) 3.314 3.463 ( 2.448 -0.808 -0.969) 2.754 3.463 ( 2.448 0.808 -0.969) 2.754 3.832 ( -3.166 -1.782 -0.065) 3.633 3.832 ( -3.166 1.782 -0.065) 3.633 5.051 ( 4.960 -3.647 -3.445) 7.054 5.051 ( 4.960 3.647 -3.445) 7.054 5.671 ( -3.363 -6.387 -1.700) 7.416 5.671 ( -3.363 6.387 -1.700) 7.416 6.452 ( 2.197 -2.732 0.468) 3.537 6.452 ( 2.197 2.732 0.468) 3.537 7.196 ( -2.353 -4.423 12.018) 13.021 7.196 ( -2.353 4.423 12.018) 13.021 7.452 ( -0.578 -10.700 3.852) 11.387 7.452 ( -0.578 10.700 3.852) 11.387 7.494 ( -1.800 -13.175 -0.218) 13.300 7.494 ( -1.800 13.175 -0.218) 13.300 8.266 ( 2.877 -9.288 -5.391) 11.118 8.266 ( 2.877 9.288 -5.391) 11.118 8.883 ( -1.463 -1.751 0.584) 2.356 8.883 ( -1.463 1.751 0.584) 2.356 9.410 ( -7.205 -6.045 2.518) 9.736 9.410 ( -7.205 6.045 2.518) 9.736 9.769 ( 4.507 -4.534 14.003) 15.394 9.769 ( 4.507 4.534 14.003) 15.394 10.072 ( 4.187 -3.571 -4.699) 7.236 10.072 ( 4.187 3.571 -4.699) 7.236 10.272 ( 0.552 -6.104 13.317) 14.659 10.272 ( 0.552 6.104 13.317) 14.659 11.338 ( 15.798 -12.865 3.972) 20.758 11.338 ( 15.798 12.865 3.972) 20.758 11.568 ( 10.823 -13.542 -0.183) 17.336 11.568 ( 10.823 13.542 -0.183) 17.336 11.773 ( -12.402 -18.081 -6.890) 22.983 11.773 ( -12.402 18.081 -6.890) 22.983 12.402 ( 4.292 -1.520 -3.870) 5.976 12.402 ( 4.292 1.520 -3.870) 5.976 12.539 ( -12.751 -9.075 2.294) 15.818 12.539 ( -12.751 9.075 2.294) 15.818 12.971 ( -1.523 -1.855 6.288) 6.731 12.971 ( -1.523 1.855 6.288) 6.731 13.152 ( -3.018 -2.789 -7.439) 8.498 13.152 ( -3.018 2.789 -7.439) 8.498 13.727 ( -0.235 -3.243 2.048) 3.843 13.727 ( -0.235 3.243 2.048) 3.843 14.000 ( 3.489 -4.542 -9.319) 10.938 14.000 ( 3.489 4.542 -9.319) 10.938 14.338 ( -9.137 -8.351 -0.867) 12.408 14.338 ( -9.137 8.351 -0.867) 12.408 14.938 ( 5.348 -6.223 2.355) 8.537 14.938 ( 5.348 6.223 2.355) 8.537 15.062 ( -5.334 -12.993 1.193) 14.096 15.062 ( -5.334 12.993 1.193) 14.096 15.806 ( 0.483 -4.188 -2.566) 4.935 15.806 ( 0.483 4.188 -2.566) 4.935 15.828 ( -0.846 -3.089 -4.205) 5.286 15.828 ( -0.846 3.089 -4.205) 5.286 16.880 ( 6.332 -3.806 5.731) 9.350 16.880 ( 6.332 3.806 5.731) 9.350 17.652 ( 7.029 -8.865 -11.769) 16.325 17.652 ( 7.029 8.865 -11.769) 16.325 17.768 ( -3.057 -5.647 -1.317) 6.555 17.768 ( -3.057 5.647 -1.317) 6.555 18.144 ( -2.884 -1.086 3.660) 4.784 18.144 ( -2.884 1.086 3.660) 4.784 18.742 ( -1.507 -2.608 2.267) 3.770 18.742 ( -1.507 2.608 2.267) 3.770 21.327 ( 1.864 -2.027 1.797) 3.288 21.327 ( 1.864 2.027 1.797) 3.288 21.620 ( -4.667 -1.377 2.466) 5.455 21.620 ( -4.667 1.377 2.466) 5.455 22.301 ( 11.304 -3.510 0.641) 11.853 22.301 ( 11.304 3.510 0.641) 11.853 22.624 ( -14.320 -8.298 2.576) 16.750 22.624 ( -14.320 8.298 2.576) 16.750 23.306 ( 4.876 -1.849 -3.957) 6.546 23.306 ( 4.876 1.849 -3.957) 6.546 25.291 ( -1.666 -2.108 -0.619) 2.757 25.291 ( -1.666 2.108 -0.619) 2.757 27.670 ( 0.298 -0.320 -1.083) 1.168 27.670 ( 0.298 0.320 -1.083) 1.168 =================== 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 3/34020 10.0 1392.737 1548.535 1582.997 0.000 0.000 0.000 3/34020 20.0 291.282 301.129 333.269 0.000 0.000 0.000 3/34020 30.0 116.558 128.975 137.247 0.000 0.000 0.000 3/34020 40.0 65.851 76.366 78.933 0.000 0.000 0.000 3/34020 50.0 44.382 52.917 53.857 0.000 0.000 0.000 3/34020 60.0 33.057 40.052 40.570 0.000 0.000 0.000 3/34020 70.0 26.183 32.011 32.471 0.000 0.000 0.000 3/34020 80.0 21.593 26.522 27.023 0.000 0.000 0.000 3/34020 90.0 18.313 22.538 23.097 0.000 0.000 0.000 3/34020 100.0 15.854 19.517 20.131 0.000 0.000 0.000 3/34020 110.0 13.944 17.154 17.814 0.000 0.000 0.000 3/34020 120.0 12.420 15.260 15.958 0.000 0.000 0.000 3/34020 130.0 11.180 13.716 14.443 0.000 0.000 0.000 3/34020 140.0 10.154 12.436 13.184 0.000 0.000 0.000 3/34020 150.0 9.293 11.362 12.125 0.000 0.000 0.000 3/34020 160.0 8.563 10.451 11.223 0.000 0.000 0.000 3/34020 170.0 7.936 9.670 10.446 0.000 0.000 0.000 3/34020 180.0 7.394 8.994 9.771 0.000 0.000 0.000 3/34020 190.0 6.920 8.404 9.179 0.000 0.000 0.000 3/34020 200.0 6.503 7.887 8.657 0.000 0.000 0.000 3/34020 210.0 6.134 7.428 8.192 0.000 0.000 0.000 3/34020 220.0 5.805 7.021 7.776 0.000 0.000 0.000 3/34020 230.0 5.511 6.655 7.401 0.000 0.000 0.000 3/34020 240.0 5.245 6.326 7.062 0.000 0.000 0.000 3/34020 250.0 5.004 6.029 6.754 0.000 0.000 0.000 3/34020 260.0 4.785 5.759 6.472 0.000 0.000 0.000 3/34020 270.0 4.585 5.512 6.214 0.000 0.000 0.000 3/34020 280.0 4.402 5.286 5.976 0.000 0.000 0.000 3/34020 290.0 4.233 5.078 5.756 0.000 0.000 0.000 3/34020 300.0 4.077 4.886 5.553 0.000 0.000 0.000 3/34020 310.0 3.933 4.709 5.364 0.000 0.000 0.000 3/34020 320.0 3.798 4.544 5.187 0.000 0.000 0.000 3/34020 330.0 3.673 4.391 5.023 0.000 0.000 0.000 3/34020 340.0 3.556 4.248 4.868 0.000 0.000 0.000 3/34020 350.0 3.447 4.114 4.724 0.000 0.000 0.000 3/34020 360.0 3.344 3.989 4.587 0.000 0.000 0.000 3/34020 370.0 3.248 3.871 4.459 0.000 0.000 0.000 3/34020 380.0 3.157 3.760 4.338 0.000 0.000 0.000 3/34020 390.0 3.071 3.656 4.223 0.000 0.000 0.000 3/34020 400.0 2.990 3.557 4.115 0.000 0.000 0.000 3/34020 410.0 2.913 3.464 4.012 0.000 0.000 0.000 3/34020 420.0 2.840 3.375 3.914 0.000 0.000 0.000 3/34020 430.0 2.771 3.291 3.820 0.000 0.000 0.000 3/34020 440.0 2.705 3.211 3.732 0.000 0.000 0.000 3/34020 450.0 2.642 3.135 3.647 0.000 0.000 0.000 3/34020 460.0 2.582 3.063 3.566 0.000 0.000 0.000 3/34020 470.0 2.525 2.994 3.489 0.000 0.000 0.000 3/34020 480.0 2.471 2.928 3.415 0.000 0.000 0.000 3/34020 490.0 2.418 2.865 3.344 0.000 0.000 0.000 3/34020 500.0 2.368 2.805 3.276 0.000 0.000 0.000 3/34020 510.0 2.321 2.747 3.211 0.000 0.000 0.000 3/34020 520.0 2.274 2.692 3.149 0.000 0.000 0.000 3/34020 530.0 2.230 2.639 3.089 0.000 0.000 0.000 3/34020 540.0 2.188 2.587 3.031 0.000 0.000 0.000 3/34020 550.0 2.147 2.538 2.975 0.000 0.000 0.000 3/34020 560.0 2.108 2.491 2.921 0.000 0.000 0.000 3/34020 570.0 2.070 2.446 2.870 0.000 0.000 0.000 3/34020 580.0 2.033 2.402 2.820 0.000 0.000 0.000 3/34020 590.0 1.998 2.360 2.771 0.000 0.000 0.000 3/34020 600.0 1.964 2.319 2.725 0.000 0.000 0.000 3/34020 610.0 1.931 2.280 2.680 0.000 0.000 0.000 3/34020 620.0 1.899 2.242 2.636 0.000 0.000 0.000 3/34020 630.0 1.869 2.205 2.594 0.000 0.000 0.000 3/34020 640.0 1.839 2.169 2.553 0.000 0.000 0.000 3/34020 650.0 1.810 2.135 2.514 0.000 0.000 0.000 3/34020 660.0 1.782 2.102 2.475 0.000 0.000 0.000 3/34020 670.0 1.755 2.069 2.438 0.000 0.000 0.000 3/34020 680.0 1.729 2.038 2.402 0.000 0.000 0.000 3/34020 690.0 1.703 2.008 2.367 0.000 0.000 0.000 3/34020 700.0 1.679 1.978 2.333 0.000 0.000 0.000 3/34020 710.0 1.655 1.950 2.300 0.000 0.000 0.000 3/34020 720.0 1.631 1.922 2.268 0.000 0.000 0.000 3/34020 730.0 1.609 1.895 2.237 0.000 0.000 0.000 3/34020 740.0 1.587 1.869 2.207 0.000 0.000 0.000 3/34020 750.0 1.565 1.843 2.177 0.000 0.000 0.000 3/34020 760.0 1.544 1.818 2.148 0.000 0.000 0.000 3/34020 770.0 1.524 1.794 2.120 0.000 0.000 0.000 3/34020 780.0 1.504 1.771 2.093 0.000 0.000 0.000 3/34020 790.0 1.485 1.748 2.066 0.000 0.000 0.000 3/34020 800.0 1.466 1.726 2.040 0.000 0.000 0.000 3/34020 810.0 1.448 1.704 2.015 0.000 0.000 0.000 3/34020 820.0 1.430 1.683 1.991 0.000 0.000 0.000 3/34020 830.0 1.413 1.662 1.966 0.000 0.000 0.000 3/34020 840.0 1.396 1.642 1.943 0.000 0.000 0.000 3/34020 850.0 1.379 1.622 1.920 0.000 0.000 0.000 3/34020 860.0 1.363 1.603 1.898 0.000 0.000 0.000 3/34020 870.0 1.347 1.584 1.876 0.000 0.000 0.000 3/34020 880.0 1.332 1.566 1.854 0.000 0.000 0.000 3/34020 890.0 1.317 1.548 1.834 0.000 0.000 0.000 3/34020 900.0 1.302 1.531 1.813 0.000 0.000 0.000 3/34020 910.0 1.287 1.514 1.793 0.000 0.000 0.000 3/34020 920.0 1.273 1.497 1.774 0.000 0.000 0.000 3/34020 930.0 1.260 1.481 1.755 0.000 0.000 0.000 3/34020 940.0 1.246 1.465 1.736 0.000 0.000 0.000 3/34020 950.0 1.233 1.449 1.718 0.000 0.000 0.000 3/34020 960.0 1.220 1.434 1.700 0.000 0.000 0.000 3/34020 970.0 1.207 1.419 1.682 0.000 0.000 0.000 3/34020 980.0 1.195 1.404 1.665 0.000 0.000 0.000 3/34020 990.0 1.183 1.390 1.648 0.000 0.000 0.000 3/34020 1000.0 1.171 1.376 1.632 0.000 0.000 0.000 3/34020 Thermal conductivity related properties were written into "kappa-m769.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 05:33:15]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|