----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 15:30:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.240048260398076 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219772249999999 0.000000000000000 c -2.141044072345067 0.000000000000000 6.523918694349347 Atomic positions (fractional): *1 Nd 0.97589131634128 0.37619439067670 0.76461279653869 144.242 2 Nd 0.02410868365872 0.87619439067670 0.73538720346131 144.242 *3 Nd 0.61033690591140 0.34898809872019 0.90824204609744 144.242 4 Nd 0.61033690591140 0.15101190127981 0.40824204609745 144.242 5 Nd 0.38966309408860 0.84898809872019 0.59175795390256 144.242 6 Nd 0.38966309408860 0.65101190127981 0.09175795390256 144.242 7 Nd 0.97589131634128 0.12380560932330 0.26461279653869 144.242 8 Nd 0.02410868365872 0.62380560932330 0.23538720346131 144.242 *9 Si 0.70204578677749 0.91539820545803 0.95594144806425 28.085 10 Si 0.29795421322251 0.41539820545803 0.54405855193575 28.085 11 Si 0.70204578677749 0.58460179454197 0.45594144806425 28.085 12 Si 0.29795421322251 0.08460179454197 0.04405855193575 28.085 *13 O 0.70385123703272 0.42980153261160 0.63529419663964 15.999 *14 O 0.88425740259026 0.63575812720507 0.50772186823365 15.999 *15 O 0.11746255060583 0.62185315651233 0.95366503338020 15.999 16 O 0.11574259740974 0.13575812720507 0.99227813176635 15.999 *17 O 0.59275437281028 0.73809054033914 0.93971338458394 15.999 18 O 0.40724562718972 0.26190945966086 0.06028661541606 15.999 *19 O 0.36526445135272 0.96013403686919 0.25246653979671 15.999 20 O 0.88425740259026 0.86424187279493 0.00772186823365 15.999 21 O 0.36526445135272 0.53986596313081 0.75246653979671 15.999 22 O 0.88253744939417 0.37814684348767 0.04633496661980 15.999 23 O 0.29614876296728 0.92980153261160 0.86470580336036 15.999 24 O 0.11746255060583 0.87814684348767 0.45366503338020 15.999 25 O 0.40724562718972 0.23809054033914 0.56028661541606 15.999 26 O 0.63473554864728 0.46013403686919 0.24753346020329 15.999 27 O 0.63473554864728 0.03986596313081 0.74753346020329 15.999 28 O 0.70385123703272 0.07019846738840 0.13529419663964 15.999 29 O 0.11574259740974 0.36424187279493 0.49227813176635 15.999 30 O 0.88253744939417 0.12185315651233 0.54633496661980 15.999 31 O 0.29614876296728 0.57019846738840 0.36470580336036 15.999 32 O 0.59275437281028 0.76190945966086 0.43971338458394 15.999 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.240048260398076 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219772249999999 0.000000000000000 c -2.141044072345067 0.000000000000000 6.523918694349347 Atomic positions (fractional): *1 Nd 0.97589131634128 0.37619439067670 0.76461279653869 144.242 > 1 2 Nd 0.02410868365872 0.87619439067670 0.73538720346131 144.242 > 2 *3 Nd 0.61033690591140 0.34898809872019 0.90824204609744 144.242 > 3 4 Nd 0.61033690591140 0.15101190127981 0.40824204609745 144.242 > 4 5 Nd 0.38966309408860 0.84898809872019 0.59175795390256 144.242 > 5 6 Nd 0.38966309408860 0.65101190127981 0.09175795390256 144.242 > 6 7 Nd 0.97589131634128 0.12380560932330 0.26461279653869 144.242 > 7 8 Nd 0.02410868365872 0.62380560932330 0.23538720346131 144.242 > 8 *9 Si 0.70204578677749 0.91539820545803 0.95594144806425 28.085 > 9 10 Si 0.29795421322251 0.41539820545803 0.54405855193575 28.085 > 10 11 Si 0.70204578677749 0.58460179454197 0.45594144806425 28.085 > 11 12 Si 0.29795421322251 0.08460179454197 0.04405855193575 28.085 > 12 *13 O 0.70385123703272 0.42980153261160 0.63529419663964 15.999 > 13 *14 O 0.88425740259026 0.63575812720507 0.50772186823365 15.999 > 14 *15 O 0.11746255060583 0.62185315651233 0.95366503338020 15.999 > 15 16 O 0.11574259740974 0.13575812720507 0.99227813176635 15.999 > 16 *17 O 0.59275437281028 0.73809054033914 0.93971338458394 15.999 > 17 18 O 0.40724562718972 0.26190945966086 0.06028661541606 15.999 > 18 *19 O 0.36526445135272 0.96013403686919 0.25246653979671 15.999 > 19 20 O 0.88425740259026 0.86424187279493 0.00772186823365 15.999 > 20 21 O 0.36526445135272 0.53986596313081 0.75246653979671 15.999 > 21 22 O 0.88253744939417 0.37814684348767 0.04633496661980 15.999 > 22 23 O 0.29614876296728 0.92980153261160 0.86470580336036 15.999 > 23 24 O 0.11746255060583 0.87814684348767 0.45366503338020 15.999 > 24 25 O 0.40724562718972 0.23809054033914 0.56028661541606 15.999 > 25 26 O 0.63473554864728 0.46013403686919 0.24753346020329 15.999 > 26 27 O 0.63473554864728 0.03986596313081 0.74753346020329 15.999 > 27 28 O 0.70385123703272 0.07019846738840 0.13529419663964 15.999 > 28 29 O 0.11574259740974 0.36424187279493 0.49227813176635 15.999 > 29 30 O 0.88253744939417 0.12185315651233 0.54633496661980 15.999 > 30 31 O 0.29614876296728 0.57019846738840 0.36470580336036 15.999 > 31 32 O 0.59275437281028 0.76190945966086 0.43971338458394 15.999 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.240048260398076 0.000000000000000 0.000000000000000 b 0.000000000000000 14.439544499999998 0.000000000000000 c -4.282088144690134 0.000000000000000 13.047837388698694 Atomic positions (fractional): *1 Nd 0.97589131634128 0.18809719533835 0.38230639826935 144.242 > 1 2 Nd 0.97589131634128 0.68809719533835 0.38230639826935 144.242 > 1 3 Nd 0.97589131634128 0.18809719533835 0.88230639826935 144.242 > 1 4 Nd 0.97589131634128 0.68809719533835 0.88230639826935 144.242 > 1 5 Nd 0.02410868365872 0.43809719533835 0.36769360173065 144.242 > 2 6 Nd 0.02410868365872 0.93809719533835 0.36769360173065 144.242 > 2 7 Nd 0.02410868365872 0.43809719533835 0.86769360173065 144.242 > 2 8 Nd 0.02410868365872 0.93809719533835 0.86769360173065 144.242 > 2 *9 Nd 0.61033690591140 0.17449404936009 0.45412102304872 144.242 > 3 10 Nd 0.61033690591140 0.67449404936009 0.45412102304872 144.242 > 3 11 Nd 0.61033690591140 0.17449404936009 0.95412102304872 144.242 > 3 12 Nd 0.61033690591140 0.67449404936009 0.95412102304872 144.242 > 3 13 Nd 0.61033690591140 0.07550595063991 0.20412102304872 144.242 > 4 14 Nd 0.61033690591140 0.57550595063991 0.20412102304872 144.242 > 4 15 Nd 0.61033690591140 0.07550595063991 0.70412102304872 144.242 > 4 16 Nd 0.61033690591140 0.57550595063991 0.70412102304872 144.242 > 4 17 Nd 0.38966309408860 0.42449404936009 0.29587897695128 144.242 > 5 18 Nd 0.38966309408860 0.92449404936009 0.29587897695128 144.242 > 5 19 Nd 0.38966309408860 0.42449404936009 0.79587897695128 144.242 > 5 20 Nd 0.38966309408860 0.92449404936009 0.79587897695128 144.242 > 5 21 Nd 0.38966309408860 0.32550595063991 0.04587897695128 144.242 > 6 22 Nd 0.38966309408860 0.82550595063991 0.04587897695128 144.242 > 6 23 Nd 0.38966309408860 0.32550595063991 0.54587897695128 144.242 > 6 24 Nd 0.38966309408860 0.82550595063991 0.54587897695128 144.242 > 6 25 Nd 0.97589131634128 0.06190280466165 0.13230639826935 144.242 > 7 26 Nd 0.97589131634128 0.56190280466165 0.13230639826935 144.242 > 7 27 Nd 0.97589131634128 0.06190280466165 0.63230639826935 144.242 > 7 28 Nd 0.97589131634128 0.56190280466165 0.63230639826935 144.242 > 7 29 Nd 0.02410868365872 0.31190280466165 0.11769360173065 144.242 > 8 30 Nd 0.02410868365872 0.81190280466165 0.11769360173065 144.242 > 8 31 Nd 0.02410868365872 0.31190280466165 0.61769360173065 144.242 > 8 32 Nd 0.02410868365872 0.81190280466165 0.61769360173065 144.242 > 8 *33 Si 0.70204578677749 0.45769910272901 0.47797072403213 28.085 > 9 34 Si 0.70204578677749 0.95769910272901 0.47797072403213 28.085 > 9 35 Si 0.70204578677749 0.45769910272901 0.97797072403213 28.085 > 9 36 Si 0.70204578677749 0.95769910272901 0.97797072403213 28.085 > 9 37 Si 0.29795421322251 0.20769910272901 0.27202927596787 28.085 > 10 38 Si 0.29795421322251 0.70769910272901 0.27202927596787 28.085 > 10 39 Si 0.29795421322251 0.20769910272901 0.77202927596787 28.085 > 10 40 Si 0.29795421322251 0.70769910272901 0.77202927596787 28.085 > 10 41 Si 0.70204578677749 0.29230089727099 0.22797072403213 28.085 > 11 42 Si 0.70204578677749 0.79230089727099 0.22797072403213 28.085 > 11 43 Si 0.70204578677749 0.29230089727099 0.72797072403213 28.085 > 11 44 Si 0.70204578677749 0.79230089727099 0.72797072403213 28.085 > 11 45 Si 0.29795421322251 0.04230089727099 0.02202927596787 28.085 > 12 46 Si 0.29795421322251 0.54230089727099 0.02202927596787 28.085 > 12 47 Si 0.29795421322251 0.04230089727099 0.52202927596787 28.085 > 12 48 Si 0.29795421322251 0.54230089727099 0.52202927596787 28.085 > 12 *49 O 0.70385123703272 0.21490076630580 0.31764709831982 15.999 > 13 50 O 0.70385123703272 0.71490076630580 0.31764709831982 15.999 > 13 51 O 0.70385123703272 0.21490076630580 0.81764709831982 15.999 > 13 52 O 0.70385123703272 0.71490076630580 0.81764709831982 15.999 > 13 *53 O 0.88425740259026 0.31787906360253 0.25386093411682 15.999 > 14 54 O 0.88425740259026 0.81787906360253 0.25386093411682 15.999 > 14 55 O 0.88425740259026 0.31787906360253 0.75386093411682 15.999 > 14 56 O 0.88425740259026 0.81787906360253 0.75386093411682 15.999 > 14 *57 O 0.11746255060583 0.31092657825617 0.47683251669010 15.999 > 15 58 O 0.11746255060583 0.81092657825617 0.47683251669010 15.999 > 15 59 O 0.11746255060583 0.31092657825617 0.97683251669010 15.999 > 15 60 O 0.11746255060583 0.81092657825617 0.97683251669010 15.999 > 15 61 O 0.11574259740974 0.06787906360253 0.49613906588318 15.999 > 16 62 O 0.11574259740974 0.56787906360253 0.49613906588318 15.999 > 16 63 O 0.11574259740974 0.06787906360253 0.99613906588318 15.999 > 16 64 O 0.11574259740974 0.56787906360253 0.99613906588318 15.999 > 16 *65 O 0.59275437281028 0.36904527016957 0.46985669229197 15.999 > 17 66 O 0.59275437281028 0.86904527016957 0.46985669229197 15.999 > 17 67 O 0.59275437281028 0.36904527016957 0.96985669229197 15.999 > 17 68 O 0.59275437281028 0.86904527016957 0.96985669229197 15.999 > 17 69 O 0.40724562718972 0.13095472983043 0.03014330770803 15.999 > 18 70 O 0.40724562718972 0.63095472983043 0.03014330770803 15.999 > 18 71 O 0.40724562718972 0.13095472983043 0.53014330770803 15.999 > 18 72 O 0.40724562718972 0.63095472983043 0.53014330770803 15.999 > 18 *73 O 0.36526445135272 0.48006701843460 0.12623326989835 15.999 > 19 74 O 0.36526445135272 0.98006701843460 0.12623326989835 15.999 > 19 75 O 0.36526445135272 0.48006701843460 0.62623326989835 15.999 > 19 76 O 0.36526445135272 0.98006701843460 0.62623326989835 15.999 > 19 77 O 0.88425740259026 0.43212093639747 0.00386093411682 15.999 > 20 78 O 0.88425740259026 0.93212093639747 0.00386093411682 15.999 > 20 79 O 0.88425740259026 0.43212093639747 0.50386093411682 15.999 > 20 80 O 0.88425740259026 0.93212093639747 0.50386093411682 15.999 > 20 81 O 0.36526445135272 0.26993298156540 0.37623326989835 15.999 > 21 82 O 0.36526445135272 0.76993298156540 0.37623326989835 15.999 > 21 83 O 0.36526445135272 0.26993298156540 0.87623326989835 15.999 > 21 84 O 0.36526445135272 0.76993298156540 0.87623326989835 15.999 > 21 85 O 0.88253744939417 0.18907342174383 0.02316748330990 15.999 > 22 86 O 0.88253744939417 0.68907342174383 0.02316748330990 15.999 > 22 87 O 0.88253744939417 0.18907342174383 0.52316748330990 15.999 > 22 88 O 0.88253744939417 0.68907342174383 0.52316748330990 15.999 > 22 89 O 0.29614876296728 0.46490076630580 0.43235290168018 15.999 > 23 90 O 0.29614876296728 0.96490076630580 0.43235290168018 15.999 > 23 91 O 0.29614876296728 0.46490076630580 0.93235290168018 15.999 > 23 92 O 0.29614876296728 0.96490076630580 0.93235290168018 15.999 > 23 93 O 0.11746255060583 0.43907342174383 0.22683251669010 15.999 > 24 94 O 0.11746255060583 0.93907342174383 0.22683251669010 15.999 > 24 95 O 0.11746255060583 0.43907342174383 0.72683251669010 15.999 > 24 96 O 0.11746255060583 0.93907342174383 0.72683251669010 15.999 > 24 97 O 0.40724562718972 0.11904527016957 0.28014330770803 15.999 > 25 98 O 0.40724562718972 0.61904527016957 0.28014330770803 15.999 > 25 99 O 0.40724562718972 0.11904527016957 0.78014330770803 15.999 > 25 100 O 0.40724562718972 0.61904527016957 0.78014330770803 15.999 > 25 101 O 0.63473554864728 0.23006701843460 0.12376673010165 15.999 > 26 102 O 0.63473554864728 0.73006701843460 0.12376673010165 15.999 > 26 103 O 0.63473554864728 0.23006701843460 0.62376673010165 15.999 > 26 104 O 0.63473554864728 0.73006701843460 0.62376673010165 15.999 > 26 105 O 0.63473554864728 0.01993298156540 0.37376673010165 15.999 > 27 106 O 0.63473554864728 0.51993298156540 0.37376673010165 15.999 > 27 107 O 0.63473554864728 0.01993298156540 0.87376673010165 15.999 > 27 108 O 0.63473554864728 0.51993298156540 0.87376673010165 15.999 > 27 109 O 0.70385123703272 0.03509923369420 0.06764709831982 15.999 > 28 110 O 0.70385123703272 0.53509923369420 0.06764709831982 15.999 > 28 111 O 0.70385123703272 0.03509923369420 0.56764709831982 15.999 > 28 112 O 0.70385123703272 0.53509923369420 0.56764709831982 15.999 > 28 113 O 0.11574259740974 0.18212093639747 0.24613906588318 15.999 > 29 114 O 0.11574259740974 0.68212093639747 0.24613906588318 15.999 > 29 115 O 0.11574259740974 0.18212093639747 0.74613906588318 15.999 > 29 116 O 0.11574259740974 0.68212093639747 0.74613906588318 15.999 > 29 117 O 0.88253744939417 0.06092657825617 0.27316748330990 15.999 > 30 118 O 0.88253744939417 0.56092657825617 0.27316748330990 15.999 > 30 119 O 0.88253744939417 0.06092657825617 0.77316748330990 15.999 > 30 120 O 0.88253744939417 0.56092657825617 0.77316748330990 15.999 > 30 121 O 0.29614876296728 0.28509923369420 0.18235290168018 15.999 > 31 122 O 0.29614876296728 0.78509923369420 0.18235290168018 15.999 > 31 123 O 0.29614876296728 0.28509923369420 0.68235290168018 15.999 > 31 124 O 0.29614876296728 0.78509923369420 0.68235290168018 15.999 > 31 125 O 0.59275437281028 0.38095472983043 0.21985669229197 15.999 > 32 126 O 0.59275437281028 0.88095472983043 0.21985669229197 15.999 > 32 127 O 0.59275437281028 0.38095472983043 0.71985669229197 15.999 > 32 128 O 0.59275437281028 0.88095472983043 0.71985669229197 15.999 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8525694 0.0000000 0.0865859 0.0000000 3.8825114 0.0000000 0.0865820 0.0000000 4.0250841 -------------------------- Born effective charges -------------------------- 1 Nd 3.4370410 -0.0083001 -0.0022197 0.1947453 3.9827158 0.3174934 -0.0424611 0.3714043 4.2654711 2 Nd 3.4370410 0.0083001 -0.0022197 -0.1947453 3.9827158 -0.3174934 -0.0424611 -0.3714043 4.2654711 3 Nd 4.1393946 -0.1557278 -0.0889620 -0.1114278 3.6090576 0.0041980 -0.0548901 0.0243810 4.1811302 4 Nd 4.1393946 0.1557278 -0.0889620 0.1114278 3.6090576 -0.0041980 -0.0548901 -0.0243810 4.1811302 5 Nd 4.1393946 0.1557278 -0.0889620 0.1114278 3.6090576 -0.0041980 -0.0548901 -0.0243810 4.1811302 6 Nd 4.1393946 -0.1557278 -0.0889620 -0.1114278 3.6090576 0.0041980 -0.0548901 0.0243810 4.1811302 7 Nd 3.4370410 0.0083001 -0.0022197 -0.1947453 3.9827158 -0.3174934 -0.0424611 -0.3714043 4.2654711 8 Nd 3.4370410 -0.0083001 -0.0022197 0.1947453 3.9827158 0.3174934 -0.0424611 0.3714043 4.2654711 9 Si 3.2031463 0.2377694 0.4437929 0.0525284 3.2368078 0.1144971 0.4408411 0.1468627 2.9565078 10 Si 3.2031463 -0.2377694 0.4437929 -0.0525284 3.2368078 -0.1144971 0.4408411 -0.1468627 2.9565078 11 Si 3.2031463 -0.2377694 0.4437929 -0.0525284 3.2368078 -0.1144971 0.4408411 -0.1468627 2.9565078 12 Si 3.2031463 0.2377694 0.4437929 0.0525284 3.2368078 0.1144971 0.4408411 0.1468627 2.9565078 13 O -2.0871202 -0.1977608 0.1494628 -0.2262297 -1.9432468 0.3803817 0.1381269 0.4396402 -2.4039209 14 O -2.4693325 -0.3751744 -0.1884250 -0.4458323 -1.9718977 -0.0903632 -0.1536372 -0.0370159 -1.9896009 15 O -2.5010139 -0.3237313 -0.1517337 -0.3105362 -2.4889625 -0.0011565 -0.1475791 0.0256284 -2.6892091 16 O -2.4693325 0.3751744 -0.1884250 0.4458323 -1.9718977 0.0903632 -0.1536372 0.0370159 -1.9896009 17 O -2.1534396 -0.4743820 -0.0840044 -0.5446933 -2.2267556 0.1130357 -0.0657074 0.1416728 -1.6802389 18 O -2.1534396 -0.4743820 -0.0840044 -0.5446933 -2.2267556 0.1130357 -0.0657074 0.1416728 -1.6802389 19 O -1.5686756 -0.2300802 -0.0779108 -0.1404126 -2.1977185 0.2423846 -0.1146931 0.2721222 -2.6401392 20 O -2.4693325 0.3751744 -0.1884250 0.4458323 -1.9718977 0.0903632 -0.1536372 0.0370159 -1.9896009 21 O -1.5686756 0.2300802 -0.0779108 0.1404126 -2.1977185 -0.2423846 -0.1146931 -0.2721222 -2.6401392 22 O -2.5010139 -0.3237313 -0.1517337 -0.3105362 -2.4889625 -0.0011565 -0.1475791 0.0256284 -2.6892091 23 O -2.0871202 0.1977608 0.1494628 0.2262297 -1.9432468 -0.3803817 0.1381269 -0.4396402 -2.4039209 24 O -2.5010139 0.3237313 -0.1517337 0.3105362 -2.4889625 0.0011565 -0.1475791 -0.0256284 -2.6892091 25 O -2.1534396 0.4743820 -0.0840044 0.5446933 -2.2267556 -0.1130357 -0.0657074 -0.1416728 -1.6802389 26 O -1.5686756 0.2300802 -0.0779108 0.1404126 -2.1977185 -0.2423846 -0.1146931 -0.2721222 -2.6401392 27 O -1.5686756 -0.2300802 -0.0779108 -0.1404126 -2.1977185 0.2423846 -0.1146931 0.2721222 -2.6401392 28 O -2.0871202 0.1977608 0.1494628 0.2262297 -1.9432468 -0.3803817 0.1381269 -0.4396402 -2.4039209 29 O -2.4693325 -0.3751744 -0.1884250 -0.4458323 -1.9718977 -0.0903632 -0.1536372 -0.0370159 -1.9896009 30 O -2.5010139 0.3237313 -0.1517337 0.3105362 -2.4889625 0.0011565 -0.1475791 -0.0256284 -2.6892091 31 O -2.0871202 -0.1977608 0.1494628 -0.2262297 -1.9432468 0.3803817 0.1381269 0.4396402 -2.4039209 32 O -2.1534396 0.4743820 -0.0840044 0.5446933 -2.2267556 -0.1130357 -0.0657074 -0.1416728 -1.6802389 ---------------------------------------------------------------------------- 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: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 960 - Time: 1.452 Solver_block: 200 / 960 - Time: 1.276 Solver_block: 300 / 960 - Time: 1.274 Solver_block: 400 / 960 - Time: 1.280 Solver_block: 500 / 960 - Time: 1.277 Solver_block: 600 / 960 - Time: 1.272 Solver_block: 700 / 960 - Time: 1.277 Solver_block: 800 / 960 - Time: 1.276 Solver_block: 900 / 960 - Time: 1.274 Solver_block: 960 / 960 - Time: 0.875 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 12.855 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 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: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 234 eigenvectors found. (2) Block: 524 / 524 (2) 259 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 508 eigenvectors found. (1) Complementary block size: 32 (1) Compute compressed projector. (1) Use standard solver. (1) 16 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 237 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 239 eigenvectors found. (2) Block: 524 / 524 (2) 265 eigenvectors found. (2) Complementary block size: 20 (2) Compute compressed projector. (2) Use standard solver. (2) 9 eigenvectors found. (1) 513 eigenvectors found. (1) Complementary block size: 26 (1) Compute compressed projector. (1) Use standard solver. (1) 11 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4633), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1009), data: False |-- (1024, 11), data: (1024, 26) @ (26, 11) |-- (524, 513), data: False |-- (524, 9), data: (524, 20) @ (20, 9) |-- (274, 265), data: True |-- (250, 239), data: True |-- (500, 485), data: False |-- (500, 13), data: (500, 28) @ (28, 13) |-- (250, 237), data: True |-- (250, 235), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 16), data: (1024, 32) @ (32, 16) |-- (524, 508), data: False |-- (524, 15), data: (524, 31) @ (31, 15) |-- (274, 259), data: True |-- (250, 234), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 15:31:49]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:31:50]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.240048260398076 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219772249999999 0.000000000000000 c -2.141044072345067 0.000000000000000 6.523918694349347 Atomic positions (fractional): 1 Nd 0.97589131634128 0.37619439067670 0.76461279653869 144.242 2 Nd 0.02410868365872 0.87619439067670 0.73538720346131 144.242 3 Nd 0.61033690591140 0.34898809872019 0.90824204609744 144.242 4 Nd 0.61033690591140 0.15101190127981 0.40824204609745 144.242 5 Nd 0.38966309408860 0.84898809872019 0.59175795390256 144.242 6 Nd 0.38966309408860 0.65101190127981 0.09175795390256 144.242 7 Nd 0.97589131634128 0.12380560932330 0.26461279653869 144.242 8 Nd 0.02410868365872 0.62380560932330 0.23538720346131 144.242 9 Si 0.70204578677749 0.91539820545803 0.95594144806425 28.085 10 Si 0.29795421322251 0.41539820545803 0.54405855193575 28.085 11 Si 0.70204578677749 0.58460179454197 0.45594144806425 28.085 12 Si 0.29795421322251 0.08460179454197 0.04405855193575 28.085 13 O 0.70385123703272 0.42980153261160 0.63529419663964 15.999 14 O 0.88425740259026 0.63575812720507 0.50772186823365 15.999 15 O 0.11746255060583 0.62185315651233 0.95366503338020 15.999 16 O 0.11574259740974 0.13575812720507 0.99227813176635 15.999 17 O 0.59275437281028 0.73809054033914 0.93971338458394 15.999 18 O 0.40724562718972 0.26190945966086 0.06028661541606 15.999 19 O 0.36526445135272 0.96013403686919 0.25246653979671 15.999 20 O 0.88425740259026 0.86424187279493 0.00772186823365 15.999 21 O 0.36526445135272 0.53986596313081 0.75246653979671 15.999 22 O 0.88253744939417 0.37814684348767 0.04633496661980 15.999 23 O 0.29614876296728 0.92980153261160 0.86470580336036 15.999 24 O 0.11746255060583 0.87814684348767 0.45366503338020 15.999 25 O 0.40724562718972 0.23809054033914 0.56028661541606 15.999 26 O 0.63473554864728 0.46013403686919 0.24753346020329 15.999 27 O 0.63473554864728 0.03986596313081 0.74753346020329 15.999 28 O 0.70385123703272 0.07019846738840 0.13529419663964 15.999 29 O 0.11574259740974 0.36424187279493 0.49227813176635 15.999 30 O 0.88253744939417 0.12185315651233 0.54633496661980 15.999 31 O 0.29614876296728 0.57019846738840 0.36470580336036 15.999 32 O 0.59275437281028 0.76190945966086 0.43971338458394 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.240048260398076 0.000000000000000 0.000000000000000 b 0.000000000000000 14.439544499999998 0.000000000000000 c -4.282088144690134 0.000000000000000 13.047837388698694 Atomic positions (fractional): 1 Nd 0.97589131634128 0.18809719533835 0.38230639826935 144.242 > 1 2 Nd 0.97589131634128 0.68809719533835 0.38230639826935 144.242 > 1 3 Nd 0.97589131634128 0.18809719533835 0.88230639826935 144.242 > 1 4 Nd 0.97589131634128 0.68809719533835 0.88230639826935 144.242 > 1 5 Nd 0.02410868365872 0.43809719533835 0.36769360173065 144.242 > 5 6 Nd 0.02410868365872 0.93809719533835 0.36769360173065 144.242 > 5 7 Nd 0.02410868365872 0.43809719533835 0.86769360173065 144.242 > 5 8 Nd 0.02410868365872 0.93809719533835 0.86769360173065 144.242 > 5 9 Nd 0.61033690591140 0.17449404936009 0.45412102304872 144.242 > 9 10 Nd 0.61033690591140 0.67449404936009 0.45412102304872 144.242 > 9 11 Nd 0.61033690591140 0.17449404936009 0.95412102304872 144.242 > 9 12 Nd 0.61033690591140 0.67449404936009 0.95412102304872 144.242 > 9 13 Nd 0.61033690591140 0.07550595063991 0.20412102304872 144.242 > 13 14 Nd 0.61033690591140 0.57550595063991 0.20412102304872 144.242 > 13 15 Nd 0.61033690591140 0.07550595063991 0.70412102304872 144.242 > 13 16 Nd 0.61033690591140 0.57550595063991 0.70412102304872 144.242 > 13 17 Nd 0.38966309408860 0.42449404936009 0.29587897695128 144.242 > 17 18 Nd 0.38966309408860 0.92449404936009 0.29587897695128 144.242 > 17 19 Nd 0.38966309408860 0.42449404936009 0.79587897695128 144.242 > 17 20 Nd 0.38966309408860 0.92449404936009 0.79587897695128 144.242 > 17 21 Nd 0.38966309408860 0.32550595063991 0.04587897695128 144.242 > 21 22 Nd 0.38966309408860 0.82550595063991 0.04587897695128 144.242 > 21 23 Nd 0.38966309408860 0.32550595063991 0.54587897695128 144.242 > 21 24 Nd 0.38966309408860 0.82550595063991 0.54587897695128 144.242 > 21 25 Nd 0.97589131634128 0.06190280466165 0.13230639826935 144.242 > 25 26 Nd 0.97589131634128 0.56190280466165 0.13230639826935 144.242 > 25 27 Nd 0.97589131634128 0.06190280466165 0.63230639826935 144.242 > 25 28 Nd 0.97589131634128 0.56190280466165 0.63230639826935 144.242 > 25 29 Nd 0.02410868365872 0.31190280466165 0.11769360173065 144.242 > 29 30 Nd 0.02410868365872 0.81190280466165 0.11769360173065 144.242 > 29 31 Nd 0.02410868365872 0.31190280466165 0.61769360173065 144.242 > 29 32 Nd 0.02410868365872 0.81190280466165 0.61769360173065 144.242 > 29 33 Si 0.70204578677749 0.45769910272901 0.47797072403213 28.085 > 33 34 Si 0.70204578677749 0.95769910272901 0.47797072403213 28.085 > 33 35 Si 0.70204578677749 0.45769910272901 0.97797072403213 28.085 > 33 36 Si 0.70204578677749 0.95769910272901 0.97797072403213 28.085 > 33 37 Si 0.29795421322251 0.20769910272901 0.27202927596787 28.085 > 37 38 Si 0.29795421322251 0.70769910272901 0.27202927596787 28.085 > 37 39 Si 0.29795421322251 0.20769910272901 0.77202927596787 28.085 > 37 40 Si 0.29795421322251 0.70769910272901 0.77202927596787 28.085 > 37 41 Si 0.70204578677749 0.29230089727099 0.22797072403213 28.085 > 41 42 Si 0.70204578677749 0.79230089727099 0.22797072403213 28.085 > 41 43 Si 0.70204578677749 0.29230089727099 0.72797072403213 28.085 > 41 44 Si 0.70204578677749 0.79230089727099 0.72797072403213 28.085 > 41 45 Si 0.29795421322251 0.04230089727099 0.02202927596787 28.085 > 45 46 Si 0.29795421322251 0.54230089727099 0.02202927596787 28.085 > 45 47 Si 0.29795421322251 0.04230089727099 0.52202927596787 28.085 > 45 48 Si 0.29795421322251 0.54230089727099 0.52202927596787 28.085 > 45 49 O 0.70385123703272 0.21490076630580 0.31764709831982 15.999 > 49 50 O 0.70385123703272 0.71490076630580 0.31764709831982 15.999 > 49 51 O 0.70385123703272 0.21490076630580 0.81764709831982 15.999 > 49 52 O 0.70385123703272 0.71490076630580 0.81764709831982 15.999 > 49 53 O 0.88425740259026 0.31787906360253 0.25386093411682 15.999 > 53 54 O 0.88425740259026 0.81787906360253 0.25386093411682 15.999 > 53 55 O 0.88425740259026 0.31787906360253 0.75386093411682 15.999 > 53 56 O 0.88425740259026 0.81787906360253 0.75386093411682 15.999 > 53 57 O 0.11746255060583 0.31092657825617 0.47683251669010 15.999 > 57 58 O 0.11746255060583 0.81092657825617 0.47683251669010 15.999 > 57 59 O 0.11746255060583 0.31092657825617 0.97683251669010 15.999 > 57 60 O 0.11746255060583 0.81092657825617 0.97683251669010 15.999 > 57 61 O 0.11574259740974 0.06787906360253 0.49613906588318 15.999 > 61 62 O 0.11574259740974 0.56787906360253 0.49613906588318 15.999 > 61 63 O 0.11574259740974 0.06787906360253 0.99613906588318 15.999 > 61 64 O 0.11574259740974 0.56787906360253 0.99613906588318 15.999 > 61 65 O 0.59275437281028 0.36904527016957 0.46985669229197 15.999 > 65 66 O 0.59275437281028 0.86904527016957 0.46985669229197 15.999 > 65 67 O 0.59275437281028 0.36904527016957 0.96985669229197 15.999 > 65 68 O 0.59275437281028 0.86904527016957 0.96985669229197 15.999 > 65 69 O 0.40724562718972 0.13095472983043 0.03014330770803 15.999 > 69 70 O 0.40724562718972 0.63095472983043 0.03014330770803 15.999 > 69 71 O 0.40724562718972 0.13095472983043 0.53014330770803 15.999 > 69 72 O 0.40724562718972 0.63095472983043 0.53014330770803 15.999 > 69 73 O 0.36526445135272 0.48006701843460 0.12623326989835 15.999 > 73 74 O 0.36526445135272 0.98006701843460 0.12623326989835 15.999 > 73 75 O 0.36526445135272 0.48006701843460 0.62623326989835 15.999 > 73 76 O 0.36526445135272 0.98006701843460 0.62623326989835 15.999 > 73 77 O 0.88425740259026 0.43212093639747 0.00386093411682 15.999 > 77 78 O 0.88425740259026 0.93212093639747 0.00386093411682 15.999 > 77 79 O 0.88425740259026 0.43212093639747 0.50386093411682 15.999 > 77 80 O 0.88425740259026 0.93212093639747 0.50386093411682 15.999 > 77 81 O 0.36526445135272 0.26993298156540 0.37623326989835 15.999 > 81 82 O 0.36526445135272 0.76993298156540 0.37623326989835 15.999 > 81 83 O 0.36526445135272 0.26993298156540 0.87623326989835 15.999 > 81 84 O 0.36526445135272 0.76993298156540 0.87623326989835 15.999 > 81 85 O 0.88253744939417 0.18907342174383 0.02316748330990 15.999 > 85 86 O 0.88253744939417 0.68907342174383 0.02316748330990 15.999 > 85 87 O 0.88253744939417 0.18907342174383 0.52316748330990 15.999 > 85 88 O 0.88253744939417 0.68907342174383 0.52316748330990 15.999 > 85 89 O 0.29614876296728 0.46490076630580 0.43235290168018 15.999 > 89 90 O 0.29614876296728 0.96490076630580 0.43235290168018 15.999 > 89 91 O 0.29614876296728 0.46490076630580 0.93235290168018 15.999 > 89 92 O 0.29614876296728 0.96490076630580 0.93235290168018 15.999 > 89 93 O 0.11746255060583 0.43907342174383 0.22683251669010 15.999 > 93 94 O 0.11746255060583 0.93907342174383 0.22683251669010 15.999 > 93 95 O 0.11746255060583 0.43907342174383 0.72683251669010 15.999 > 93 96 O 0.11746255060583 0.93907342174383 0.72683251669010 15.999 > 93 97 O 0.40724562718972 0.11904527016957 0.28014330770803 15.999 > 97 98 O 0.40724562718972 0.61904527016957 0.28014330770803 15.999 > 97 99 O 0.40724562718972 0.11904527016957 0.78014330770803 15.999 > 97 100 O 0.40724562718972 0.61904527016957 0.78014330770803 15.999 > 97 101 O 0.63473554864728 0.23006701843460 0.12376673010165 15.999 > 101 102 O 0.63473554864728 0.73006701843460 0.12376673010165 15.999 > 101 103 O 0.63473554864728 0.23006701843460 0.62376673010165 15.999 > 101 104 O 0.63473554864728 0.73006701843460 0.62376673010165 15.999 > 101 105 O 0.63473554864728 0.01993298156540 0.37376673010165 15.999 > 105 106 O 0.63473554864728 0.51993298156540 0.37376673010165 15.999 > 105 107 O 0.63473554864728 0.01993298156540 0.87376673010165 15.999 > 105 108 O 0.63473554864728 0.51993298156540 0.87376673010165 15.999 > 105 109 O 0.70385123703272 0.03509923369420 0.06764709831982 15.999 > 109 110 O 0.70385123703272 0.53509923369420 0.06764709831982 15.999 > 109 111 O 0.70385123703272 0.03509923369420 0.56764709831982 15.999 > 109 112 O 0.70385123703272 0.53509923369420 0.56764709831982 15.999 > 109 113 O 0.11574259740974 0.18212093639747 0.24613906588318 15.999 > 113 114 O 0.11574259740974 0.68212093639747 0.24613906588318 15.999 > 113 115 O 0.11574259740974 0.18212093639747 0.74613906588318 15.999 > 113 116 O 0.11574259740974 0.68212093639747 0.74613906588318 15.999 > 113 117 O 0.88253744939417 0.06092657825617 0.27316748330990 15.999 > 117 118 O 0.88253744939417 0.56092657825617 0.27316748330990 15.999 > 117 119 O 0.88253744939417 0.06092657825617 0.77316748330990 15.999 > 117 120 O 0.88253744939417 0.56092657825617 0.77316748330990 15.999 > 117 121 O 0.29614876296728 0.28509923369420 0.18235290168018 15.999 > 121 122 O 0.29614876296728 0.78509923369420 0.18235290168018 15.999 > 121 123 O 0.29614876296728 0.28509923369420 0.68235290168018 15.999 > 121 124 O 0.29614876296728 0.78509923369420 0.68235290168018 15.999 > 121 125 O 0.59275437281028 0.38095472983043 0.21985669229197 15.999 > 125 126 O 0.59275437281028 0.88095472983043 0.21985669229197 15.999 > 125 127 O 0.59275437281028 0.38095472983043 0.71985669229197 15.999 > 125 128 O 0.59275437281028 0.88095472983043 0.71985669229197 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 3.8525694 0.0000000 0.0865859 0.0000000 3.8825114 0.0000000 0.0865820 0.0000000 4.0250841 -------------------------- Born effective charges -------------------------- 1 Nd 3.4370410 -0.0083001 -0.0022197 0.1947453 3.9827158 0.3174934 -0.0424611 0.3714043 4.2654711 2 Nd 3.4370410 0.0083001 -0.0022197 -0.1947453 3.9827158 -0.3174934 -0.0424611 -0.3714043 4.2654711 3 Nd 4.1393946 -0.1557278 -0.0889620 -0.1114278 3.6090576 0.0041980 -0.0548901 0.0243810 4.1811302 4 Nd 4.1393946 0.1557278 -0.0889620 0.1114278 3.6090576 -0.0041980 -0.0548901 -0.0243810 4.1811302 5 Nd 4.1393946 0.1557278 -0.0889620 0.1114278 3.6090576 -0.0041980 -0.0548901 -0.0243810 4.1811302 6 Nd 4.1393946 -0.1557278 -0.0889620 -0.1114278 3.6090576 0.0041980 -0.0548901 0.0243810 4.1811302 7 Nd 3.4370410 0.0083001 -0.0022197 -0.1947453 3.9827158 -0.3174934 -0.0424611 -0.3714043 4.2654711 8 Nd 3.4370410 -0.0083001 -0.0022197 0.1947453 3.9827158 0.3174934 -0.0424611 0.3714043 4.2654711 9 Si 3.2031463 0.2377694 0.4437929 0.0525284 3.2368078 0.1144971 0.4408411 0.1468627 2.9565078 10 Si 3.2031463 -0.2377694 0.4437929 -0.0525284 3.2368078 -0.1144971 0.4408411 -0.1468627 2.9565078 11 Si 3.2031463 -0.2377694 0.4437929 -0.0525284 3.2368078 -0.1144971 0.4408411 -0.1468627 2.9565078 12 Si 3.2031463 0.2377694 0.4437929 0.0525284 3.2368078 0.1144971 0.4408411 0.1468627 2.9565078 13 O -2.0871202 -0.1977608 0.1494628 -0.2262297 -1.9432468 0.3803817 0.1381269 0.4396402 -2.4039209 14 O -2.4693325 -0.3751744 -0.1884250 -0.4458323 -1.9718977 -0.0903632 -0.1536372 -0.0370159 -1.9896009 15 O -2.5010139 -0.3237313 -0.1517337 -0.3105362 -2.4889625 -0.0011565 -0.1475791 0.0256284 -2.6892091 16 O -2.4693325 0.3751744 -0.1884250 0.4458323 -1.9718977 0.0903632 -0.1536372 0.0370159 -1.9896009 17 O -2.1534396 -0.4743820 -0.0840044 -0.5446933 -2.2267556 0.1130357 -0.0657074 0.1416728 -1.6802389 18 O -2.1534396 -0.4743820 -0.0840044 -0.5446933 -2.2267556 0.1130357 -0.0657074 0.1416728 -1.6802389 19 O -1.5686756 -0.2300802 -0.0779108 -0.1404126 -2.1977185 0.2423846 -0.1146931 0.2721222 -2.6401392 20 O -2.4693325 0.3751744 -0.1884250 0.4458323 -1.9718977 0.0903632 -0.1536372 0.0370159 -1.9896009 21 O -1.5686756 0.2300802 -0.0779108 0.1404126 -2.1977185 -0.2423846 -0.1146931 -0.2721222 -2.6401392 22 O -2.5010139 -0.3237313 -0.1517337 -0.3105362 -2.4889625 -0.0011565 -0.1475791 0.0256284 -2.6892091 23 O -2.0871202 0.1977608 0.1494628 0.2262297 -1.9432468 -0.3803817 0.1381269 -0.4396402 -2.4039209 24 O -2.5010139 0.3237313 -0.1517337 0.3105362 -2.4889625 0.0011565 -0.1475791 -0.0256284 -2.6892091 25 O -2.1534396 0.4743820 -0.0840044 0.5446933 -2.2267556 -0.1130357 -0.0657074 -0.1416728 -1.6802389 26 O -1.5686756 0.2300802 -0.0779108 0.1404126 -2.1977185 -0.2423846 -0.1146931 -0.2721222 -2.6401392 27 O -1.5686756 -0.2300802 -0.0779108 -0.1404126 -2.1977185 0.2423846 -0.1146931 0.2721222 -2.6401392 28 O -2.0871202 0.1977608 0.1494628 0.2262297 -1.9432468 -0.3803817 0.1381269 -0.4396402 -2.4039209 29 O -2.4693325 -0.3751744 -0.1884250 -0.4458323 -1.9718977 -0.0903632 -0.1536372 -0.0370159 -1.9896009 30 O -2.5010139 0.3237313 -0.1517337 0.3105362 -2.4889625 0.0011565 -0.1475791 -0.0256284 -2.6892091 31 O -2.0871202 -0.1977608 0.1494628 -0.2262297 -1.9432468 0.3803817 0.1381269 0.4396402 -2.4039209 32 O -2.1534396 0.4743820 -0.0840044 0.5446933 -2.2267556 -0.1130357 -0.0657074 -0.1416728 -1.6802389 ---------------------------------------------------------------------------- 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 9, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] 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] [-0.0031 0.0000 0.0095] [ 0.0031 0.0000 -0.0095] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) 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 15:32:36]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 15:32:36]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [ 1. 0. -0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.240048260398076 0.000000000000000 0.000000000000000 b 0.000000000000000 7.219772249999999 0.000000000000000 c -2.141044072345067 0.000000000000000 6.523918694349347 Atomic positions (fractional): 1 Nd 0.97589131634128 0.37619439067670 0.76461279653869 144.242 2 Nd 0.02410868365872 0.87619439067670 0.73538720346131 144.242 3 Nd 0.61033690591140 0.34898809872019 0.90824204609744 144.242 4 Nd 0.61033690591140 0.15101190127981 0.40824204609745 144.242 5 Nd 0.38966309408860 0.84898809872019 0.59175795390256 144.242 6 Nd 0.38966309408860 0.65101190127981 0.09175795390256 144.242 7 Nd 0.97589131634128 0.12380560932330 0.26461279653869 144.242 8 Nd 0.02410868365872 0.62380560932330 0.23538720346131 144.242 9 Si 0.70204578677749 0.91539820545803 0.95594144806425 28.085 10 Si 0.29795421322251 0.41539820545803 0.54405855193575 28.085 11 Si 0.70204578677749 0.58460179454197 0.45594144806425 28.085 12 Si 0.29795421322251 0.08460179454197 0.04405855193575 28.085 13 O 0.70385123703272 0.42980153261160 0.63529419663964 15.999 14 O 0.88425740259026 0.63575812720507 0.50772186823365 15.999 15 O 0.11746255060583 0.62185315651233 0.95366503338020 15.999 16 O 0.11574259740974 0.13575812720507 0.99227813176635 15.999 17 O 0.59275437281028 0.73809054033914 0.93971338458394 15.999 18 O 0.40724562718972 0.26190945966086 0.06028661541606 15.999 19 O 0.36526445135272 0.96013403686919 0.25246653979671 15.999 20 O 0.88425740259026 0.86424187279493 0.00772186823365 15.999 21 O 0.36526445135272 0.53986596313081 0.75246653979671 15.999 22 O 0.88253744939417 0.37814684348767 0.04633496661980 15.999 23 O 0.29614876296728 0.92980153261160 0.86470580336036 15.999 24 O 0.11746255060583 0.87814684348767 0.45366503338020 15.999 25 O 0.40724562718972 0.23809054033914 0.56028661541606 15.999 26 O 0.63473554864728 0.46013403686919 0.24753346020329 15.999 27 O 0.63473554864728 0.03986596313081 0.74753346020329 15.999 28 O 0.70385123703272 0.07019846738840 0.13529419663964 15.999 29 O 0.11574259740974 0.36424187279493 0.49227813176635 15.999 30 O 0.88253744939417 0.12185315651233 0.54633496661980 15.999 31 O 0.29614876296728 0.57019846738840 0.36470580336036 15.999 32 O 0.59275437281028 0.76190945966086 0.43971338458394 15.999 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.240048260398076 0.000000000000000 0.000000000000000 b 0.000000000000000 14.439544499999998 0.000000000000000 c -4.282088144690134 0.000000000000000 13.047837388698694 Atomic positions (fractional): 1 Nd 0.97589131634128 0.18809719533835 0.38230639826935 144.242 > 1 2 Nd 0.97589131634128 0.68809719533835 0.38230639826935 144.242 > 1 3 Nd 0.97589131634128 0.18809719533835 0.88230639826935 144.242 > 1 4 Nd 0.97589131634128 0.68809719533835 0.88230639826935 144.242 > 1 5 Nd 0.02410868365872 0.43809719533835 0.36769360173065 144.242 > 5 6 Nd 0.02410868365872 0.93809719533835 0.36769360173065 144.242 > 5 7 Nd 0.02410868365872 0.43809719533835 0.86769360173065 144.242 > 5 8 Nd 0.02410868365872 0.93809719533835 0.86769360173065 144.242 > 5 9 Nd 0.61033690591140 0.17449404936009 0.45412102304872 144.242 > 9 10 Nd 0.61033690591140 0.67449404936009 0.45412102304872 144.242 > 9 11 Nd 0.61033690591140 0.17449404936009 0.95412102304872 144.242 > 9 12 Nd 0.61033690591140 0.67449404936009 0.95412102304872 144.242 > 9 13 Nd 0.61033690591140 0.07550595063991 0.20412102304872 144.242 > 13 14 Nd 0.61033690591140 0.57550595063991 0.20412102304872 144.242 > 13 15 Nd 0.61033690591140 0.07550595063991 0.70412102304872 144.242 > 13 16 Nd 0.61033690591140 0.57550595063991 0.70412102304872 144.242 > 13 17 Nd 0.38966309408860 0.42449404936009 0.29587897695128 144.242 > 17 18 Nd 0.38966309408860 0.92449404936009 0.29587897695128 144.242 > 17 19 Nd 0.38966309408860 0.42449404936009 0.79587897695128 144.242 > 17 20 Nd 0.38966309408860 0.92449404936009 0.79587897695128 144.242 > 17 21 Nd 0.38966309408860 0.32550595063991 0.04587897695128 144.242 > 21 22 Nd 0.38966309408860 0.82550595063991 0.04587897695128 144.242 > 21 23 Nd 0.38966309408860 0.32550595063991 0.54587897695128 144.242 > 21 24 Nd 0.38966309408860 0.82550595063991 0.54587897695128 144.242 > 21 25 Nd 0.97589131634128 0.06190280466165 0.13230639826935 144.242 > 25 26 Nd 0.97589131634128 0.56190280466165 0.13230639826935 144.242 > 25 27 Nd 0.97589131634128 0.06190280466165 0.63230639826935 144.242 > 25 28 Nd 0.97589131634128 0.56190280466165 0.63230639826935 144.242 > 25 29 Nd 0.02410868365872 0.31190280466165 0.11769360173065 144.242 > 29 30 Nd 0.02410868365872 0.81190280466165 0.11769360173065 144.242 > 29 31 Nd 0.02410868365872 0.31190280466165 0.61769360173065 144.242 > 29 32 Nd 0.02410868365872 0.81190280466165 0.61769360173065 144.242 > 29 33 Si 0.70204578677749 0.45769910272901 0.47797072403213 28.085 > 33 34 Si 0.70204578677749 0.95769910272901 0.47797072403213 28.085 > 33 35 Si 0.70204578677749 0.45769910272901 0.97797072403213 28.085 > 33 36 Si 0.70204578677749 0.95769910272901 0.97797072403213 28.085 > 33 37 Si 0.29795421322251 0.20769910272901 0.27202927596787 28.085 > 37 38 Si 0.29795421322251 0.70769910272901 0.27202927596787 28.085 > 37 39 Si 0.29795421322251 0.20769910272901 0.77202927596787 28.085 > 37 40 Si 0.29795421322251 0.70769910272901 0.77202927596787 28.085 > 37 41 Si 0.70204578677749 0.29230089727099 0.22797072403213 28.085 > 41 42 Si 0.70204578677749 0.79230089727099 0.22797072403213 28.085 > 41 43 Si 0.70204578677749 0.29230089727099 0.72797072403213 28.085 > 41 44 Si 0.70204578677749 0.79230089727099 0.72797072403213 28.085 > 41 45 Si 0.29795421322251 0.04230089727099 0.02202927596787 28.085 > 45 46 Si 0.29795421322251 0.54230089727099 0.02202927596787 28.085 > 45 47 Si 0.29795421322251 0.04230089727099 0.52202927596787 28.085 > 45 48 Si 0.29795421322251 0.54230089727099 0.52202927596787 28.085 > 45 49 O 0.70385123703272 0.21490076630580 0.31764709831982 15.999 > 49 50 O 0.70385123703272 0.71490076630580 0.31764709831982 15.999 > 49 51 O 0.70385123703272 0.21490076630580 0.81764709831982 15.999 > 49 52 O 0.70385123703272 0.71490076630580 0.81764709831982 15.999 > 49 53 O 0.88425740259026 0.31787906360253 0.25386093411682 15.999 > 53 54 O 0.88425740259026 0.81787906360253 0.25386093411682 15.999 > 53 55 O 0.88425740259026 0.31787906360253 0.75386093411682 15.999 > 53 56 O 0.88425740259026 0.81787906360253 0.75386093411682 15.999 > 53 57 O 0.11746255060583 0.31092657825617 0.47683251669010 15.999 > 57 58 O 0.11746255060583 0.81092657825617 0.47683251669010 15.999 > 57 59 O 0.11746255060583 0.31092657825617 0.97683251669010 15.999 > 57 60 O 0.11746255060583 0.81092657825617 0.97683251669010 15.999 > 57 61 O 0.11574259740974 0.06787906360253 0.49613906588318 15.999 > 61 62 O 0.11574259740974 0.56787906360253 0.49613906588318 15.999 > 61 63 O 0.11574259740974 0.06787906360253 0.99613906588318 15.999 > 61 64 O 0.11574259740974 0.56787906360253 0.99613906588318 15.999 > 61 65 O 0.59275437281028 0.36904527016957 0.46985669229197 15.999 > 65 66 O 0.59275437281028 0.86904527016957 0.46985669229197 15.999 > 65 67 O 0.59275437281028 0.36904527016957 0.96985669229197 15.999 > 65 68 O 0.59275437281028 0.86904527016957 0.96985669229197 15.999 > 65 69 O 0.40724562718972 0.13095472983043 0.03014330770803 15.999 > 69 70 O 0.40724562718972 0.63095472983043 0.03014330770803 15.999 > 69 71 O 0.40724562718972 0.13095472983043 0.53014330770803 15.999 > 69 72 O 0.40724562718972 0.63095472983043 0.53014330770803 15.999 > 69 73 O 0.36526445135272 0.48006701843460 0.12623326989835 15.999 > 73 74 O 0.36526445135272 0.98006701843460 0.12623326989835 15.999 > 73 75 O 0.36526445135272 0.48006701843460 0.62623326989835 15.999 > 73 76 O 0.36526445135272 0.98006701843460 0.62623326989835 15.999 > 73 77 O 0.88425740259026 0.43212093639747 0.00386093411682 15.999 > 77 78 O 0.88425740259026 0.93212093639747 0.00386093411682 15.999 > 77 79 O 0.88425740259026 0.43212093639747 0.50386093411682 15.999 > 77 80 O 0.88425740259026 0.93212093639747 0.50386093411682 15.999 > 77 81 O 0.36526445135272 0.26993298156540 0.37623326989835 15.999 > 81 82 O 0.36526445135272 0.76993298156540 0.37623326989835 15.999 > 81 83 O 0.36526445135272 0.26993298156540 0.87623326989835 15.999 > 81 84 O 0.36526445135272 0.76993298156540 0.87623326989835 15.999 > 81 85 O 0.88253744939417 0.18907342174383 0.02316748330990 15.999 > 85 86 O 0.88253744939417 0.68907342174383 0.02316748330990 15.999 > 85 87 O 0.88253744939417 0.18907342174383 0.52316748330990 15.999 > 85 88 O 0.88253744939417 0.68907342174383 0.52316748330990 15.999 > 85 89 O 0.29614876296728 0.46490076630580 0.43235290168018 15.999 > 89 90 O 0.29614876296728 0.96490076630580 0.43235290168018 15.999 > 89 91 O 0.29614876296728 0.46490076630580 0.93235290168018 15.999 > 89 92 O 0.29614876296728 0.96490076630580 0.93235290168018 15.999 > 89 93 O 0.11746255060583 0.43907342174383 0.22683251669010 15.999 > 93 94 O 0.11746255060583 0.93907342174383 0.22683251669010 15.999 > 93 95 O 0.11746255060583 0.43907342174383 0.72683251669010 15.999 > 93 96 O 0.11746255060583 0.93907342174383 0.72683251669010 15.999 > 93 97 O 0.40724562718972 0.11904527016957 0.28014330770803 15.999 > 97 98 O 0.40724562718972 0.61904527016957 0.28014330770803 15.999 > 97 99 O 0.40724562718972 0.11904527016957 0.78014330770803 15.999 > 97 100 O 0.40724562718972 0.61904527016957 0.78014330770803 15.999 > 97 101 O 0.63473554864728 0.23006701843460 0.12376673010165 15.999 > 101 102 O 0.63473554864728 0.73006701843460 0.12376673010165 15.999 > 101 103 O 0.63473554864728 0.23006701843460 0.62376673010165 15.999 > 101 104 O 0.63473554864728 0.73006701843460 0.62376673010165 15.999 > 101 105 O 0.63473554864728 0.01993298156540 0.37376673010165 15.999 > 105 106 O 0.63473554864728 0.51993298156540 0.37376673010165 15.999 > 105 107 O 0.63473554864728 0.01993298156540 0.87376673010165 15.999 > 105 108 O 0.63473554864728 0.51993298156540 0.87376673010165 15.999 > 105 109 O 0.70385123703272 0.03509923369420 0.06764709831982 15.999 > 109 110 O 0.70385123703272 0.53509923369420 0.06764709831982 15.999 > 109 111 O 0.70385123703272 0.03509923369420 0.56764709831982 15.999 > 109 112 O 0.70385123703272 0.53509923369420 0.56764709831982 15.999 > 109 113 O 0.11574259740974 0.18212093639747 0.24613906588318 15.999 > 113 114 O 0.11574259740974 0.68212093639747 0.24613906588318 15.999 > 113 115 O 0.11574259740974 0.18212093639747 0.74613906588318 15.999 > 113 116 O 0.11574259740974 0.68212093639747 0.74613906588318 15.999 > 113 117 O 0.88253744939417 0.06092657825617 0.27316748330990 15.999 > 117 118 O 0.88253744939417 0.56092657825617 0.27316748330990 15.999 > 117 119 O 0.88253744939417 0.06092657825617 0.77316748330990 15.999 > 117 120 O 0.88253744939417 0.56092657825617 0.77316748330990 15.999 > 117 121 O 0.29614876296728 0.28509923369420 0.18235290168018 15.999 > 121 122 O 0.29614876296728 0.78509923369420 0.18235290168018 15.999 > 121 123 O 0.29614876296728 0.28509923369420 0.68235290168018 15.999 > 121 124 O 0.29614876296728 0.78509923369420 0.68235290168018 15.999 > 121 125 O 0.59275437281028 0.38095472983043 0.21985669229197 15.999 > 125 126 O 0.59275437281028 0.88095472983043 0.21985669229197 15.999 > 125 127 O 0.59275437281028 0.38095472983043 0.71985669229197 15.999 > 125 128 O 0.59275437281028 0.88095472983043 0.71985669229197 15.999 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 3.8525694 0.0000000 0.0865859 0.0000000 3.8825114 0.0000000 0.0865820 0.0000000 4.0250841 -------------------------- Born effective charges -------------------------- 1 Nd 3.4370410 -0.0083001 -0.0022197 0.1947453 3.9827158 0.3174934 -0.0424611 0.3714043 4.2654711 2 Nd 3.4370410 0.0083001 -0.0022197 -0.1947453 3.9827158 -0.3174934 -0.0424611 -0.3714043 4.2654711 3 Nd 4.1393946 -0.1557278 -0.0889620 -0.1114278 3.6090576 0.0041980 -0.0548901 0.0243810 4.1811302 4 Nd 4.1393946 0.1557278 -0.0889620 0.1114278 3.6090576 -0.0041980 -0.0548901 -0.0243810 4.1811302 5 Nd 4.1393946 0.1557278 -0.0889620 0.1114278 3.6090576 -0.0041980 -0.0548901 -0.0243810 4.1811302 6 Nd 4.1393946 -0.1557278 -0.0889620 -0.1114278 3.6090576 0.0041980 -0.0548901 0.0243810 4.1811302 7 Nd 3.4370410 0.0083001 -0.0022197 -0.1947453 3.9827158 -0.3174934 -0.0424611 -0.3714043 4.2654711 8 Nd 3.4370410 -0.0083001 -0.0022197 0.1947453 3.9827158 0.3174934 -0.0424611 0.3714043 4.2654711 9 Si 3.2031463 0.2377694 0.4437929 0.0525284 3.2368078 0.1144971 0.4408411 0.1468627 2.9565078 10 Si 3.2031463 -0.2377694 0.4437929 -0.0525284 3.2368078 -0.1144971 0.4408411 -0.1468627 2.9565078 11 Si 3.2031463 -0.2377694 0.4437929 -0.0525284 3.2368078 -0.1144971 0.4408411 -0.1468627 2.9565078 12 Si 3.2031463 0.2377694 0.4437929 0.0525284 3.2368078 0.1144971 0.4408411 0.1468627 2.9565078 13 O -2.0871202 -0.1977608 0.1494628 -0.2262297 -1.9432468 0.3803817 0.1381269 0.4396402 -2.4039209 14 O -2.4693325 -0.3751744 -0.1884250 -0.4458323 -1.9718977 -0.0903632 -0.1536372 -0.0370159 -1.9896009 15 O -2.5010139 -0.3237313 -0.1517337 -0.3105362 -2.4889625 -0.0011565 -0.1475791 0.0256284 -2.6892091 16 O -2.4693325 0.3751744 -0.1884250 0.4458323 -1.9718977 0.0903632 -0.1536372 0.0370159 -1.9896009 17 O -2.1534396 -0.4743820 -0.0840044 -0.5446933 -2.2267556 0.1130357 -0.0657074 0.1416728 -1.6802389 18 O -2.1534396 -0.4743820 -0.0840044 -0.5446933 -2.2267556 0.1130357 -0.0657074 0.1416728 -1.6802389 19 O -1.5686756 -0.2300802 -0.0779108 -0.1404126 -2.1977185 0.2423846 -0.1146931 0.2721222 -2.6401392 20 O -2.4693325 0.3751744 -0.1884250 0.4458323 -1.9718977 0.0903632 -0.1536372 0.0370159 -1.9896009 21 O -1.5686756 0.2300802 -0.0779108 0.1404126 -2.1977185 -0.2423846 -0.1146931 -0.2721222 -2.6401392 22 O -2.5010139 -0.3237313 -0.1517337 -0.3105362 -2.4889625 -0.0011565 -0.1475791 0.0256284 -2.6892091 23 O -2.0871202 0.1977608 0.1494628 0.2262297 -1.9432468 -0.3803817 0.1381269 -0.4396402 -2.4039209 24 O -2.5010139 0.3237313 -0.1517337 0.3105362 -2.4889625 0.0011565 -0.1475791 -0.0256284 -2.6892091 25 O -2.1534396 0.4743820 -0.0840044 0.5446933 -2.2267556 -0.1130357 -0.0657074 -0.1416728 -1.6802389 26 O -1.5686756 0.2300802 -0.0779108 0.1404126 -2.1977185 -0.2423846 -0.1146931 -0.2721222 -2.6401392 27 O -1.5686756 -0.2300802 -0.0779108 -0.1404126 -2.1977185 0.2423846 -0.1146931 0.2721222 -2.6401392 28 O -2.0871202 0.1977608 0.1494628 0.2262297 -1.9432468 -0.3803817 0.1381269 -0.4396402 -2.4039209 29 O -2.4693325 -0.3751744 -0.1884250 -0.4458323 -1.9718977 -0.0903632 -0.1536372 -0.0370159 -1.9896009 30 O -2.5010139 0.3237313 -0.1517337 0.3105362 -2.4889625 0.0011565 -0.1475791 -0.0256284 -2.6892091 31 O -2.0871202 -0.1977608 0.1494628 -0.2262297 -1.9432468 0.3803817 0.1381269 0.4396402 -2.4039209 32 O -2.1534396 0.4743820 -0.0840044 0.5446933 -2.2267556 -0.1130357 -0.0657074 -0.1416728 -1.6802389 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (zzz) -0.00000001 (zzz) -0.00000001 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 6 7 8 ] 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: 0.55, Number of G-points: 303, Lambda: 0.11 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/104) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 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 2.713 ( 0.000 0.000 0.000) 0.000 2.736 ( 0.000 0.000 0.000) 0.000 2.742 ( 0.000 0.000 0.000) 0.000 2.861 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 3.120 ( 0.000 0.000 0.000) 0.000 3.135 ( 0.000 0.000 0.000) 0.000 3.160 ( 0.000 0.000 0.000) 0.000 3.225 ( 0.000 0.000 0.000) 0.000 3.401 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 4.014 ( 0.000 0.000 0.000) 0.000 4.114 ( 0.000 0.000 0.000) 0.000 4.246 ( 0.000 0.000 0.000) 0.000 4.409 ( 0.000 0.000 0.000) 0.000 4.536 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.719 ( 0.000 0.000 0.000) 0.000 4.838 ( 0.000 0.000 0.000) 0.000 5.185 ( 0.000 0.000 0.000) 0.000 5.245 ( 0.000 0.000 0.000) 0.000 5.354 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.479 ( 0.000 0.000 0.000) 0.000 5.696 ( 0.000 0.000 0.000) 0.000 5.760 ( 0.000 0.000 0.000) 0.000 6.248 ( 0.000 0.000 0.000) 0.000 6.331 ( 0.000 0.000 0.000) 0.000 6.378 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.750 ( 0.000 0.000 0.000) 0.000 6.843 ( 0.000 0.000 0.000) 0.000 6.994 ( 0.000 0.000 0.000) 0.000 7.028 ( 0.000 0.000 0.000) 0.000 7.359 ( 0.000 0.000 0.000) 0.000 7.495 ( 0.000 0.000 0.000) 0.000 7.739 ( 0.000 0.000 0.000) 0.000 7.900 ( 0.000 0.000 0.000) 0.000 7.941 ( 0.000 0.000 0.000) 0.000 7.976 ( 0.000 0.000 0.000) 0.000 7.993 ( 0.000 0.000 0.000) 0.000 8.139 ( 0.000 0.000 0.000) 0.000 8.526 ( 0.000 0.000 0.000) 0.000 8.558 ( 0.000 0.000 0.000) 0.000 8.811 ( 0.000 0.000 0.000) 0.000 9.798 ( 0.000 0.000 0.000) 0.000 9.897 ( 0.000 0.000 0.000) 0.000 10.089 ( 0.000 0.000 0.000) 0.000 10.092 ( 0.000 0.000 0.000) 0.000 10.531 ( 0.000 0.000 0.000) 0.000 10.756 ( 0.000 0.000 0.000) 0.000 10.925 ( 0.000 0.000 0.000) 0.000 10.958 ( 0.000 0.000 0.000) 0.000 11.165 ( 0.000 0.000 0.000) 0.000 11.246 ( 0.000 0.000 0.000) 0.000 11.606 ( 0.000 0.000 0.000) 0.000 11.744 ( 0.000 0.000 0.000) 0.000 12.106 ( 0.000 0.000 0.000) 0.000 12.548 ( 0.000 0.000 0.000) 0.000 12.770 ( 0.000 0.000 0.000) 0.000 12.861 ( 0.000 0.000 0.000) 0.000 13.133 ( 0.000 0.000 0.000) 0.000 13.372 ( 0.000 0.000 0.000) 0.000 13.703 ( 0.000 0.000 0.000) 0.000 13.833 ( 0.000 0.000 0.000) 0.000 13.885 ( 0.000 0.000 0.000) 0.000 14.194 ( 0.000 0.000 0.000) 0.000 14.222 ( 0.000 0.000 0.000) 0.000 15.050 ( 0.000 0.000 0.000) 0.000 15.064 ( 0.000 0.000 0.000) 0.000 15.140 ( 0.000 0.000 0.000) 0.000 15.339 ( 0.000 0.000 0.000) 0.000 15.423 ( 0.000 0.000 0.000) 0.000 15.926 ( 0.000 0.000 0.000) 0.000 16.059 ( 0.000 0.000 0.000) 0.000 16.287 ( 0.000 0.000 0.000) 0.000 16.438 ( 0.000 0.000 0.000) 0.000 24.985 ( 0.000 0.000 0.000) 0.000 24.991 ( 0.000 0.000 0.000) 0.000 25.093 ( 0.000 0.000 0.000) 0.000 25.107 ( 0.000 0.000 0.000) 0.000 25.181 ( 0.000 0.000 0.000) 0.000 25.293 ( 0.000 0.000 0.000) 0.000 25.396 ( 0.000 0.000 0.000) 0.000 25.576 ( 0.000 0.000 0.000) 0.000 27.024 ( 0.000 0.000 0.000) 0.000 27.119 ( 0.000 0.000 0.000) 0.000 27.160 ( 0.000 0.000 0.000) 0.000 27.447 ( 0.000 0.000 0.000) 0.000 28.926 ( 0.000 0.000 0.000) 0.000 29.521 ( 0.000 0.000 0.000) 0.000 29.586 ( 0.000 0.000 0.000) 0.000 29.735 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/104) ======================= q-point: ( 0.17 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.615 ( 37.038 0.000 -9.338) 38.197 0.689 ( 32.180 0.000 15.845) 35.870 1.012 ( 42.779 0.000 35.259) 55.437 2.614 ( -9.969 0.000 -3.493) 10.563 2.654 ( -16.690 0.000 1.814) 16.788 2.797 ( -0.693 0.000 4.844) 4.894 2.805 ( 3.587 0.000 2.289) 4.255 2.841 ( -2.186 0.000 -5.637) 6.046 2.980 ( -2.806 0.000 7.734) 8.227 3.199 ( 4.584 0.000 -1.014) 4.695 3.245 ( 1.578 0.000 3.163) 3.535 3.297 ( 6.293 0.000 1.404) 6.448 3.426 ( 2.081 0.000 -0.820) 2.237 3.472 ( 6.507 0.000 -3.526) 7.401 4.021 ( -0.482 0.000 4.343) 4.370 4.093 ( -1.117 0.000 -3.501) 3.675 4.232 ( -1.280 0.000 0.201) 1.295 4.434 ( 2.380 0.000 0.765) 2.500 4.530 ( -0.166 0.000 -1.506) 1.515 4.534 ( -12.377 0.000 -3.563) 12.879 4.798 ( 6.090 0.000 6.300) 8.762 4.811 ( -4.737 0.000 -3.478) 5.876 5.085 ( -6.480 0.000 -3.477) 7.354 5.216 ( -2.749 0.000 1.576) 3.169 5.329 ( -1.389 0.000 -2.256) 2.649 5.398 ( -6.928 0.000 -9.089) 11.429 5.492 ( 2.972 0.000 -3.404) 4.519 5.769 ( 1.115 0.000 -1.212) 1.647 5.831 ( -1.722 0.000 2.855) 3.334 6.180 ( -4.139 0.000 -2.412) 4.791 6.346 ( -1.265 0.000 5.519) 5.662 6.440 ( 3.916 0.000 4.946) 6.308 6.515 ( -5.329 0.000 -2.241) 5.781 6.811 ( -4.916 0.000 -5.481) 7.363 6.915 ( 13.132 0.000 6.992) 14.877 6.989 ( 3.016 0.000 0.856) 3.135 7.414 ( 7.577 0.000 -1.766) 7.780 7.487 ( -0.355 0.000 -0.721) 0.803 7.687 ( -3.063 0.000 -7.423) 8.030 7.855 ( 1.770 0.000 -5.171) 5.466 7.932 ( -3.817 0.000 0.322) 3.831 7.934 ( -1.079 0.000 0.993) 1.466 7.973 ( -0.705 0.000 -2.898) 2.983 8.207 ( 5.477 0.000 0.232) 5.482 8.473 ( -5.316 0.000 -3.167) 6.188 8.600 ( 2.008 0.000 4.255) 4.705 8.751 ( -7.619 0.000 19.527) 20.960 8.994 ( 5.720 0.000 10.613) 12.056 9.770 ( -2.449 0.000 -2.067) 3.205 9.893 ( -0.540 0.000 0.837) 0.995 10.089 ( 0.006 0.000 0.351) 0.351 10.494 ( -4.443 0.000 18.567) 19.092 10.504 ( -3.144 0.000 0.046) 3.145 10.835 ( -5.188 0.000 -16.456) 17.255 10.955 ( -0.130 0.000 -0.577) 0.592 10.996 ( 3.025 0.000 -24.936) 25.119 11.145 ( -3.393 0.000 3.214) 4.673 11.427 ( 10.274 0.000 -0.493) 10.285 11.776 ( 4.308 0.000 -1.152) 4.459 12.026 ( -7.262 0.000 8.749) 11.370 12.218 ( -0.924 0.000 20.501) 20.522 12.537 ( -0.288 0.000 -2.152) 2.171 12.731 ( -4.203 0.000 -1.797) 4.571 12.969 ( -7.426 0.000 -5.345) 9.150 13.304 ( 5.845 0.000 13.032) 14.283 13.624 ( -3.666 0.000 -4.555) 5.847 13.785 ( 1.515 0.000 -11.282) 11.384 13.895 ( 2.553 0.000 -0.677) 2.641 14.097 ( -4.828 0.000 2.726) 5.545 14.144 ( -7.972 0.000 3.545) 8.725 14.338 ( 10.349 0.000 3.588) 10.954 15.035 ( -5.959 0.000 -4.692) 7.585 15.140 ( 6.082 0.000 2.980) 6.773 15.433 ( 1.637 0.000 -1.657) 2.329 15.476 ( 9.412 0.000 5.511) 10.907 15.611 ( 0.171 0.000 4.605) 4.608 15.901 ( -3.539 0.000 3.456) 4.946 16.278 ( -1.531 0.000 1.550) 2.179 16.365 ( 1.578 0.000 1.334) 2.066 16.404 ( -1.961 0.000 -4.836) 5.218 24.994 ( 0.543 0.000 1.325) 1.432 25.010 ( 2.117 0.000 -0.317) 2.141 25.087 ( -1.383 0.000 -1.433) 1.992 25.158 ( 0.304 0.000 -5.844) 5.852 25.260 ( -3.395 0.000 1.742) 3.816 25.284 ( 4.899 0.000 -23.235) 23.745 25.429 ( 2.971 0.000 -0.811) 3.080 25.619 ( 3.889 0.000 -0.054) 3.890 27.021 ( 0.125 0.000 -1.220) 1.227 27.124 ( -0.380 0.000 2.417) 2.447 27.473 ( 2.562 0.000 0.407) 2.595 28.361 ( -16.218 0.000 37.214) 40.595 28.941 ( 1.636 0.000 -0.201) 1.648 29.507 ( -1.451 0.000 -0.102) 1.455 29.611 ( 2.102 0.000 1.352) 2.499 30.366 ( 0.510 0.000 -7.061) 7.080 ======================= Grid point 2 (3/104) ======================= q-point: ( 0.33 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.219 ( 34.883 0.000 -6.898) 35.558 1.333 ( 29.166 0.000 13.617) 32.188 1.901 ( 31.150 0.000 27.531) 41.572 2.299 ( -22.230 0.000 4.255) 22.634 2.326 ( -18.021 0.000 -7.279) 19.436 2.702 ( -6.894 0.000 3.135) 7.573 2.720 ( -4.285 0.000 -9.903) 10.791 2.923 ( 4.772 0.000 4.324) 6.439 3.160 ( 9.489 0.000 11.271) 14.734 3.268 ( 4.227 0.000 -1.892) 4.631 3.304 ( 1.923 0.000 4.718) 5.095 3.400 ( 3.876 0.000 -1.564) 4.179 3.460 ( 1.588 0.000 -0.271) 1.611 3.540 ( 3.338 0.000 -2.783) 4.346 3.999 ( -4.170 0.000 -0.171) 4.173 4.104 ( 3.380 0.000 6.141) 7.010 4.224 ( -2.173 0.000 2.425) 3.256 4.232 ( -14.567 0.000 -4.285) 15.184 4.433 ( -1.568 0.000 -9.440) 9.569 4.556 ( 2.718 0.000 4.548) 5.298 4.598 ( -12.505 0.000 -9.138) 15.487 4.957 ( -5.877 0.000 -4.202) 7.225 4.981 ( 8.211 0.000 9.414) 12.491 5.187 ( -1.163 0.000 0.849) 1.440 5.228 ( -3.560 0.000 -5.895) 6.887 5.282 ( -2.706 0.000 -1.975) 3.350 5.478 ( -1.367 0.000 -4.882) 5.070 5.765 ( -0.407 0.000 -3.848) 3.869 5.818 ( -1.422 0.000 1.678) 2.199 6.129 ( 0.519 0.000 -2.411) 2.467 6.352 ( -0.806 0.000 2.669) 2.788 6.395 ( -5.870 0.000 -0.983) 5.952 6.530 ( 2.353 0.000 2.902) 3.736 6.692 ( -3.140 0.000 -2.982) 4.330 7.114 ( 7.068 0.000 1.879) 7.314 7.239 ( 15.772 0.000 9.613) 18.471 7.490 ( 1.202 0.000 -0.308) 1.240 7.496 ( 1.993 0.000 0.013) 1.993 7.574 ( -3.701 0.000 -5.785) 6.867 7.867 ( 3.711 0.000 -7.918) 8.744 7.872 ( -1.905 0.000 -3.724) 4.183 7.915 ( -2.578 0.000 3.750) 4.551 7.952 ( -0.012 0.000 -1.168) 1.168 8.271 ( 1.846 0.000 -2.172) 2.851 8.281 ( -12.126 0.000 -5.503) 13.316 8.648 ( 0.319 0.000 3.634) 3.648 8.800 ( 1.008 0.000 13.605) 13.642 9.159 ( 6.779 0.000 4.724) 8.262 9.693 ( -3.776 0.000 -3.457) 5.120 9.899 ( 0.524 0.000 1.218) 1.326 10.107 ( 1.554 0.000 0.678) 1.695 10.424 ( -4.775 0.000 -0.844) 4.849 10.505 ( -3.373 0.000 4.340) 5.497 10.657 ( -3.428 0.000 -6.819) 7.632 10.938 ( 0.221 0.000 -7.336) 7.339 10.950 ( 0.187 0.000 -0.732) 0.755 11.083 ( -5.033 0.000 3.454) 6.104 11.548 ( 1.891 0.000 4.348) 4.741 11.893 ( 8.771 0.000 -0.863) 8.813 11.972 ( -2.091 0.000 1.693) 2.690 12.345 ( 5.113 0.000 9.645) 10.916 12.517 ( -2.183 0.000 2.017) 2.972 12.592 ( -7.007 0.000 -6.872) 9.815 12.795 ( -6.968 0.000 -9.212) 11.551 13.488 ( 7.375 0.000 7.653) 10.628 13.599 ( 2.837 0.000 -1.250) 3.101 13.753 ( -0.323 0.000 -5.471) 5.480 13.916 ( -1.048 0.000 3.507) 3.660 14.000 ( -8.728 0.000 1.556) 8.865 14.014 ( -3.681 0.000 -1.934) 4.158 14.532 ( 7.364 0.000 3.701) 8.242 14.918 ( -3.922 0.000 -3.400) 5.191 15.269 ( 5.143 0.000 2.477) 5.709 15.458 ( 2.059 0.000 -1.777) 2.719 15.641 ( 0.578 0.000 2.366) 2.435 15.684 ( 9.062 0.000 5.407) 10.553 15.856 ( -3.328 0.000 3.346) 4.720 16.238 ( -4.620 0.000 1.943) 5.012 16.334 ( -0.940 0.000 -6.458) 6.526 16.402 ( 2.051 0.000 -0.892) 2.236 25.017 ( 0.729 0.000 2.178) 2.297 25.039 ( -0.329 0.000 -0.893) 0.952 25.074 ( 2.627 0.000 -0.820) 2.752 25.123 ( -0.817 0.000 -3.617) 3.708 25.203 ( -3.908 0.000 1.290) 4.115 25.238 ( 0.741 0.000 -8.207) 8.241 25.472 ( 1.925 0.000 -0.397) 1.965 25.687 ( 2.982 0.000 0.206) 2.989 27.017 ( 0.140 0.000 -0.916) 0.927 27.130 ( -0.413 0.000 2.096) 2.137 27.531 ( 3.032 0.000 0.325) 3.049 28.279 ( -8.292 0.000 12.027) 14.608 28.975 ( 1.882 0.000 -0.152) 1.888 29.475 ( -1.683 0.000 -0.133) 1.688 29.663 ( 2.174 0.000 1.362) 2.565 30.328 ( -1.044 0.000 -2.945) 3.125 ======================= Grid point 3 (4/104) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( -0.000 0.000 0.000) 0.000 1.820 ( 0.000 0.000 -0.000) 0.000 1.878 ( -0.000 0.000 -0.000) 0.000 1.901 ( 0.000 0.000 0.000) 0.000 2.449 ( 0.000 0.000 0.000) 0.000 2.568 ( 0.000 0.000 -0.000) 0.000 2.646 ( 0.000 0.000 -0.000) 0.000 2.996 ( 0.000 0.000 -0.000) 0.000 3.298 ( 0.000 0.000 -0.000) 0.000 3.354 ( 0.000 0.000 0.000) 0.000 3.359 ( 0.000 0.000 -0.000) 0.000 3.365 ( 0.000 0.000 0.000) 0.000 3.465 ( 0.000 0.000 0.000) 0.000 3.577 ( 0.000 0.000 0.000) 0.000 3.946 ( 0.000 0.000 0.000) 0.000 4.005 ( 0.000 0.000 0.000) 0.000 4.209 ( 0.000 0.000 0.000) 0.000 4.266 ( 0.000 0.000 0.000) 0.000 4.337 ( 0.000 0.000 -0.000) 0.000 4.402 ( 0.000 0.000 -0.000) 0.000 4.606 ( 0.000 0.000 -0.000) 0.000 4.876 ( 0.000 0.000 -0.000) 0.000 5.163 ( 0.000 0.000 -0.000) 0.000 5.176 ( -0.000 0.000 -0.000) 0.000 5.191 ( 0.000 0.000 -0.000) 0.000 5.191 ( 0.000 0.000 0.000) 0.000 5.438 ( 0.000 0.000 -0.000) 0.000 5.737 ( 0.000 0.000 -0.000) 0.000 5.808 ( 0.000 0.000 -0.000) 0.000 6.142 ( -0.000 0.000 0.000) 0.000 6.329 ( 0.000 0.000 -0.000) 0.000 6.351 ( 0.000 0.000 0.000) 0.000 6.552 ( 0.000 0.000 -0.000) 0.000 6.666 ( 0.000 0.000 -0.000) 0.000 7.196 ( 0.000 0.000 -0.000) 0.000 7.469 ( 0.000 0.000 -0.000) 0.000 7.474 ( -0.000 0.000 0.000) 0.000 7.506 ( 0.000 0.000 -0.000) 0.000 7.563 ( 0.000 0.000 -0.000) 0.000 7.815 ( 0.000 0.000 -0.000) 0.000 7.889 ( -0.000 0.000 0.000) 0.000 7.891 ( 0.000 0.000 -0.000) 0.000 7.961 ( 0.000 0.000 0.000) 0.000 8.097 ( 0.000 0.000 -0.000) 0.000 8.275 ( 0.000 0.000 -0.000) 0.000 8.659 ( 0.000 0.000 -0.000) 0.000 8.866 ( 0.000 0.000 0.000) 0.000 9.249 ( 0.000 0.000 0.000) 0.000 9.634 ( -0.000 0.000 -0.000) 0.000 9.912 ( 0.000 0.000 -0.000) 0.000 10.132 ( 0.000 0.000 0.000) 0.000 10.365 ( 0.000 0.000 0.000) 0.000 10.461 ( 0.000 0.000 -0.000) 0.000 10.629 ( 0.000 0.000 -0.000) 0.000 10.917 ( 0.000 0.000 -0.000) 0.000 10.952 ( 0.000 0.000 0.000) 0.000 11.040 ( 0.000 0.000 -0.000) 0.000 11.572 ( 0.000 0.000 -0.000) 0.000 11.961 ( 0.000 0.000 -0.000) 0.000 12.003 ( 0.000 0.000 -0.000) 0.000 12.447 ( 0.000 0.000 -0.000) 0.000 12.462 ( 0.000 0.000 0.000) 0.000 12.528 ( 0.000 0.000 0.000) 0.000 12.663 ( 0.000 0.000 -0.000) 0.000 13.620 ( 0.000 0.000 0.000) 0.000 13.648 ( 0.000 0.000 -0.000) 0.000 13.698 ( 0.000 0.000 -0.000) 0.000 13.903 ( 0.000 0.000 0.000) 0.000 13.917 ( 0.000 0.000 -0.000) 0.000 13.970 ( 0.000 0.000 0.000) 0.000 14.615 ( 0.000 0.000 -0.000) 0.000 14.868 ( 0.000 0.000 0.000) 0.000 15.326 ( 0.000 0.000 -0.000) 0.000 15.474 ( 0.000 0.000 -0.000) 0.000 15.653 ( 0.000 0.000 -0.000) 0.000 15.805 ( 0.000 0.000 0.000) 0.000 15.834 ( 0.000 0.000 0.000) 0.000 16.176 ( 0.000 0.000 0.000) 0.000 16.310 ( 0.000 0.000 -0.000) 0.000 16.419 ( 0.000 0.000 0.000) 0.000 25.026 ( 0.000 0.000 0.000) 0.000 25.035 ( 0.000 0.000 -0.000) 0.000 25.100 ( 0.000 0.000 0.000) 0.000 25.133 ( -0.000 0.000 0.000) 0.000 25.139 ( 0.000 0.000 -0.000) 0.000 25.220 ( 0.000 0.000 0.000) 0.000 25.488 ( 0.000 0.000 -0.000) 0.000 25.716 ( 0.000 0.000 -0.000) 0.000 27.015 ( 0.000 0.000 0.000) 0.000 27.133 ( 0.000 0.000 0.000) 0.000 27.563 ( 0.000 0.000 -0.000) 0.000 28.234 ( 0.000 0.000 -0.000) 0.000 28.994 ( 0.000 0.000 -0.000) 0.000 29.457 ( 0.000 0.000 -0.000) 0.000 29.689 ( 0.000 0.000 0.000) 0.000 30.308 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 7 (5/104) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.635 ( 0.000 31.496 0.000) 31.496 0.742 ( 0.000 36.790 0.000) 36.790 0.836 ( 0.000 38.484 0.000) 38.484 2.633 ( 0.000 -5.655 0.000) 5.655 2.745 ( 0.000 2.977 0.000) 2.977 2.859 ( 0.000 1.644 0.000) 1.644 2.873 ( 0.000 -0.507 0.000) 0.507 2.893 ( 0.000 6.422 0.000) 6.422 3.096 ( 0.000 -5.343 0.000) 5.343 3.135 ( 0.000 -1.239 0.000) 1.239 3.174 ( 0.000 6.362 0.000) 6.362 3.286 ( 0.000 5.598 0.000) 5.598 3.331 ( 0.000 -5.005 0.000) 5.005 3.447 ( 0.000 3.371 0.000) 3.371 3.863 ( 0.000 -15.709 0.000) 15.709 3.913 ( 0.000 -10.775 0.000) 10.775 4.445 ( 0.000 6.117 0.000) 6.117 4.544 ( 0.000 8.579 0.000) 8.579 4.631 ( 0.000 -1.744 0.000) 1.744 4.703 ( 0.000 -1.919 0.000) 1.919 4.885 ( 0.000 0.514 0.000) 0.514 4.901 ( 0.000 12.064 0.000) 12.064 5.195 ( 0.000 -9.625 0.000) 9.625 5.257 ( 0.000 6.687 0.000) 6.687 5.375 ( 0.000 -4.206 0.000) 4.206 5.497 ( 0.000 -5.262 0.000) 5.262 5.635 ( 0.000 -4.642 0.000) 4.642 5.636 ( 0.000 1.072 0.000) 1.072 5.772 ( 0.000 1.879 0.000) 1.879 6.118 ( 0.000 -5.788 0.000) 5.788 6.364 ( 0.000 -2.891 0.000) 2.891 6.449 ( 0.000 1.384 0.000) 1.384 6.561 ( 0.000 2.060 0.000) 2.060 6.821 ( 0.000 -1.793 0.000) 1.793 7.029 ( 0.000 3.291 0.000) 3.291 7.044 ( 0.000 1.512 0.000) 1.512 7.352 ( 0.000 -2.003 0.000) 2.003 7.354 ( 0.000 -1.781 0.000) 1.781 7.644 ( 0.000 -5.892 0.000) 5.892 7.735 ( 0.000 -9.152 0.000) 9.152 7.759 ( 0.000 -3.333 0.000) 3.333 7.916 ( 0.000 -3.520 0.000) 3.520 8.018 ( 0.000 6.509 0.000) 6.509 8.210 ( 0.000 5.997 0.000) 5.997 8.226 ( 0.000 12.887 0.000) 12.887 8.586 ( 0.000 2.665 0.000) 2.665 8.590 ( 0.000 5.748 0.000) 5.748 8.835 ( 0.000 1.451 0.000) 1.451 9.794 ( 0.000 0.223 0.000) 0.223 9.996 ( 0.000 1.327 0.000) 1.327 10.109 ( 0.000 1.480 0.000) 1.480 10.504 ( 0.000 -2.835 0.000) 2.835 10.758 ( 0.000 0.296 0.000) 0.296 10.959 ( 0.000 3.029 0.000) 3.029 10.964 ( 0.000 0.897 0.000) 0.897 11.169 ( 0.000 0.884 0.000) 0.884 11.220 ( 0.000 -2.286 0.000) 2.286 11.594 ( 0.000 -0.939 0.000) 0.939 11.616 ( 0.000 -3.087 0.000) 3.087 12.113 ( 0.000 -0.566 0.000) 0.566 12.333 ( 0.000 -2.875 0.000) 2.875 12.668 ( 0.000 -11.410 0.000) 11.410 12.700 ( 0.000 -6.159 0.000) 6.159 12.870 ( 0.000 -0.826 0.000) 0.826 13.270 ( 0.000 9.287 0.000) 9.287 13.320 ( 0.000 -4.625 0.000) 4.625 13.620 ( 0.000 -4.682 0.000) 4.682 13.826 ( 0.000 -3.874 0.000) 3.874 13.938 ( 0.000 7.174 0.000) 7.174 14.226 ( 0.000 2.171 0.000) 2.171 14.233 ( 0.000 0.931 0.000) 0.931 14.865 ( 0.000 -10.712 0.000) 10.712 15.102 ( 0.000 1.807 0.000) 1.807 15.426 ( 0.000 -0.195 0.000) 0.195 15.557 ( 0.000 15.265 0.000) 15.265 15.887 ( 0.000 -1.350 0.000) 1.350 16.060 ( 0.000 0.184 0.000) 0.184 16.094 ( 0.000 3.881 0.000) 3.881 16.301 ( 0.000 -2.715 0.000) 2.715 16.420 ( 0.000 -1.936 0.000) 1.936 24.995 ( 0.000 0.969 0.000) 0.969 25.090 ( 0.000 -0.721 0.000) 0.721 25.097 ( 0.000 0.354 0.000) 0.354 25.157 ( 0.000 0.435 0.000) 0.435 25.230 ( 0.000 3.959 0.000) 3.959 25.286 ( 0.000 -0.673 0.000) 0.673 25.403 ( 0.000 -2.312 0.000) 2.312 25.569 ( 0.000 -0.804 0.000) 0.804 27.097 ( 0.000 -1.078 0.000) 1.078 27.208 ( 0.000 3.718 0.000) 3.718 27.402 ( 0.000 -3.945 0.000) 3.945 27.563 ( 0.000 0.520 0.000) 0.520 29.372 ( 0.000 -9.528 0.000) 9.528 29.471 ( 0.000 -9.696 0.000) 9.696 29.909 ( 0.000 11.975 0.000) 11.975 30.260 ( 0.000 5.702 0.000) 5.702 ======================= Grid point 8 (6/104) ======================= q-point: ( 0.17 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.384 ( 12.807 5.131 9.018) 16.482 0.946 ( 24.669 23.787 -0.412) 34.272 1.547 ( 36.147 31.980 22.385) 53.201 2.474 ( -14.287 -9.079 -3.215) 17.230 2.670 ( -12.784 -1.849 1.715) 13.030 2.700 ( -5.673 -0.931 -0.799) 5.804 2.901 ( -2.345 1.257 -0.974) 2.834 2.969 ( -4.318 3.057 -0.323) 5.300 3.048 ( 9.724 11.639 8.941) 17.606 3.181 ( 3.133 -0.277 -0.490) 3.183 3.234 ( -1.741 -0.396 -0.254) 1.803 3.293 ( 6.311 -1.122 0.078) 6.411 3.387 ( 3.185 -0.088 1.277) 3.433 3.487 ( 3.674 1.064 -2.118) 4.372 3.852 ( 0.112 -13.728 -0.587) 13.741 3.935 ( 1.633 -10.564 1.839) 10.847 4.412 ( -9.443 2.517 -6.010) 11.472 4.454 ( -5.523 4.995 -1.567) 7.610 4.496 ( -1.742 4.665 1.440) 5.184 4.746 ( -3.749 2.768 3.324) 5.724 4.839 ( -5.751 3.414 -1.302) 6.814 4.852 ( -1.079 6.077 -0.219) 6.176 5.099 ( -4.430 2.534 1.818) 5.417 5.243 ( -2.208 -0.936 -4.295) 4.919 5.382 ( -5.294 3.906 -2.635) 7.087 5.425 ( 5.790 -2.074 -4.725) 7.755 5.541 ( -3.950 9.346 -5.890) 11.732 5.662 ( 0.568 -9.137 -0.162) 9.156 5.763 ( -1.687 -4.780 0.903) 5.148 6.097 ( -2.208 -2.164 -6.472) 7.172 6.423 ( 5.104 -2.310 1.380) 5.770 6.473 ( -2.285 -4.464 0.729) 5.068 6.514 ( -3.003 8.148 5.971) 10.539 6.797 ( -1.829 -1.036 -5.590) 5.972 6.915 ( 1.202 1.771 1.277) 2.493 7.006 ( 5.231 1.039 2.919) 6.079 7.419 ( 5.690 -0.174 -1.025) 5.784 7.488 ( 3.282 -0.569 2.096) 3.936 7.595 ( -1.878 -4.187 -6.693) 8.115 7.761 ( 0.516 -7.614 2.514) 8.035 7.867 ( -3.106 -8.408 3.247) 9.533 8.000 ( 1.838 9.300 -1.615) 9.616 8.139 ( 0.869 6.107 -4.784) 7.807 8.184 ( 2.323 -1.766 -2.862) 4.088 8.315 ( 10.284 -10.411 21.389) 25.916 8.559 ( -3.231 3.978 -2.707) 5.796 8.608 ( 0.617 0.750 2.922) 3.079 8.967 ( 8.871 -0.414 8.352) 12.191 9.773 ( -1.646 0.751 -2.209) 2.855 9.972 ( -1.392 1.474 -0.245) 2.042 10.107 ( 0.939 3.453 -3.498) 5.004 10.438 ( -6.653 -2.531 1.983) 7.389 10.656 ( -8.514 3.909 8.003) 12.321 10.875 ( -8.425 2.994 -6.303) 10.940 10.958 ( -0.257 0.607 -0.872) 1.093 11.116 ( -6.048 1.241 4.105) 7.414 11.232 ( -2.394 8.053 -17.565) 19.471 11.419 ( 8.479 -0.678 -1.650) 8.664 11.751 ( 5.074 -2.392 -2.748) 6.246 12.041 ( -6.627 -0.096 6.675) 9.407 12.257 ( -2.266 2.014 3.862) 4.910 12.486 ( -7.240 -5.945 2.174) 9.617 12.687 ( -3.591 -3.733 -0.469) 5.201 13.026 ( -6.374 -2.938 -7.412) 10.208 13.132 ( 6.411 -9.449 11.143) 15.955 13.559 ( 0.418 -1.657 -6.188) 6.420 13.614 ( 8.299 -14.908 -4.271) 17.589 13.831 ( 1.199 -1.802 -2.668) 3.435 13.913 ( -0.495 6.759 1.005) 6.852 14.201 ( -4.622 2.080 3.529) 6.176 14.443 ( 11.949 0.855 8.760) 14.841 15.007 ( 6.469 -11.549 8.740) 15.862 15.145 ( 5.684 -2.363 -2.621) 6.690 15.339 ( -9.023 7.617 -0.171) 11.810 15.526 ( 1.777 9.267 -1.456) 9.548 15.792 ( -4.262 2.365 1.268) 5.037 16.014 ( 0.547 7.907 0.828) 7.969 16.245 ( 0.309 -4.721 -0.349) 4.744 16.268 ( 2.831 -1.460 2.539) 4.074 16.485 ( 2.935 1.780 -3.887) 5.186 25.004 ( 0.735 0.940 0.752) 1.410 25.051 ( -0.621 2.120 -0.350) 2.237 25.080 ( -1.049 0.580 0.688) 1.382 25.198 ( 2.822 0.343 -10.349) 10.732 25.220 ( -1.822 1.006 1.612) 2.633 25.302 ( 2.012 0.473 -6.281) 6.612 25.406 ( 1.462 -2.253 -0.317) 2.704 25.599 ( 2.782 -1.523 1.453) 3.489 27.079 ( -1.479 2.517 -2.174) 3.640 27.124 ( -1.869 2.084 0.730) 2.893 27.419 ( 1.728 -4.821 0.051) 5.122 27.879 ( 11.603 -17.710 19.791) 28.982 29.192 ( -14.900 1.433 -1.904) 15.089 29.403 ( -2.318 -9.001 -0.865) 9.335 29.844 ( -1.064 17.745 2.516) 17.954 30.361 ( 4.082 1.271 -2.650) 5.029 ======================= Grid point 9 (7/104) ======================= q-point: ( 0.33 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.954 ( 32.869 -18.581 9.940) 39.044 1.443 ( 27.399 13.346 2.594) 30.587 2.092 ( -20.720 -12.605 -2.696) 24.403 2.293 ( 25.637 23.531 17.503) 38.953 2.392 ( -18.195 5.526 -0.688) 19.028 2.581 ( -6.522 -7.752 2.121) 10.350 2.871 ( -2.307 9.889 -6.603) 12.112 2.935 ( 3.567 -1.357 4.629) 5.999 3.223 ( 3.540 -3.853 -0.366) 5.245 3.242 ( 3.190 3.782 5.145) 7.138 3.269 ( 1.099 0.773 3.464) 3.715 3.362 ( 3.326 -3.681 0.564) 4.993 3.440 ( 2.107 -0.074 -2.416) 3.207 3.534 ( 4.338 -0.345 -1.059) 4.479 3.860 ( 0.115 -10.009 -0.047) 10.010 3.996 ( 2.590 -7.857 5.917) 10.171 4.187 ( -10.486 -2.624 -5.905) 12.317 4.302 ( -9.310 1.487 -3.280) 9.982 4.492 ( -9.814 -1.306 -9.530) 13.742 4.564 ( -0.942 5.764 4.019) 7.090 4.725 ( -4.212 13.692 -0.545) 14.336 4.936 ( 4.052 -0.658 6.115) 7.365 5.078 ( 0.605 5.806 -0.932) 5.912 5.190 ( -1.953 -3.831 -0.114) 4.301 5.299 ( -3.035 6.396 -1.939) 7.340 5.426 ( -1.687 9.099 -3.947) 10.060 5.479 ( 0.944 6.478 -5.545) 8.580 5.663 ( 0.277 -8.325 -2.343) 8.653 5.734 ( -2.498 -7.898 1.184) 8.368 6.057 ( 1.906 -2.576 -1.819) 3.685 6.336 ( -6.694 -1.732 -2.522) 7.360 6.521 ( -0.046 6.900 3.158) 7.588 6.548 ( 2.557 1.561 2.786) 4.091 6.696 ( -3.756 0.452 -3.173) 4.938 7.024 ( 6.738 -6.356 2.272) 9.538 7.269 ( 16.326 -0.638 6.851) 17.717 7.467 ( 2.138 -1.751 -2.086) 3.462 7.513 ( -2.358 0.605 -1.552) 2.887 7.558 ( 1.267 0.822 -1.286) 1.984 7.776 ( -0.747 -5.888 -3.080) 6.687 7.826 ( -0.886 -5.976 4.075) 7.288 7.962 ( -0.828 7.966 -8.066) 11.367 8.076 ( -2.996 8.265 -0.175) 8.793 8.214 ( -0.731 -1.282 0.337) 1.514 8.382 ( -7.475 5.665 -3.190) 9.906 8.615 ( 0.017 -2.762 0.648) 2.837 8.647 ( 7.362 -10.773 13.589) 18.840 9.138 ( 4.782 -2.911 4.661) 7.284 9.711 ( -2.964 2.069 -3.003) 4.699 9.977 ( 1.602 2.825 0.871) 3.362 10.112 ( 1.740 5.243 -2.956) 6.265 10.338 ( -5.204 -4.900 1.469) 7.297 10.572 ( -4.785 3.441 0.326) 5.902 10.674 ( -6.845 0.387 -2.693) 7.366 10.949 ( 0.222 0.158 -1.266) 1.295 11.043 ( -4.700 0.971 3.385) 5.873 11.150 ( -0.295 10.794 -5.884) 12.297 11.543 ( 1.927 -0.362 5.090) 5.454 11.836 ( 7.184 -4.293 -4.212) 9.369 12.005 ( -1.653 -0.018 3.917) 4.251 12.280 ( 2.874 -5.789 -1.160) 6.567 12.426 ( -2.419 -6.749 6.512) 9.685 12.555 ( -7.918 -2.689 -3.596) 9.102 12.854 ( -5.630 -2.270 -10.621) 12.234 13.312 ( 6.491 -13.779 7.686) 17.061 13.554 ( 1.894 0.651 -1.728) 2.645 13.642 ( -1.687 -12.926 -1.714) 13.148 13.848 ( 2.153 1.477 -2.211) 3.421 13.930 ( 0.709 5.279 1.658) 5.579 14.115 ( -6.004 5.158 2.370) 8.263 14.681 ( 10.013 2.518 4.910) 11.433 15.023 ( -7.020 2.991 0.126) 7.632 15.202 ( 3.089 0.326 -2.724) 4.131 15.329 ( 4.412 -11.426 4.662) 13.105 15.569 ( 2.325 7.002 -0.157) 7.380 15.737 ( -3.363 -0.634 1.974) 3.951 16.072 ( 4.086 9.047 3.743) 10.609 16.227 ( -0.725 -0.498 -0.267) 0.919 16.325 ( 1.657 0.069 -2.223) 2.773 16.460 ( -1.834 5.268 -3.445) 6.556 25.027 ( 0.978 0.959 1.388) 1.950 25.036 ( -0.803 0.254 -1.024) 1.326 25.093 ( 2.218 1.874 0.078) 2.904 25.169 ( -0.533 2.724 -4.123) 4.971 25.189 ( -2.180 0.211 0.793) 2.330 25.270 ( -0.700 2.564 -4.805) 5.491 25.441 ( 1.908 -2.914 -0.525) 3.522 25.661 ( 2.644 -2.309 0.870) 3.617 27.050 ( -0.293 3.057 -1.661) 3.491 27.117 ( -0.776 -1.001 2.356) 2.675 27.455 ( 1.863 -6.609 -0.097) 6.867 28.083 ( 2.323 -14.463 10.288) 17.900 28.994 ( -5.616 0.163 -1.896) 5.929 29.362 ( -1.797 -9.530 -0.320) 9.703 29.873 ( 1.598 16.735 1.894) 16.917 30.370 ( -0.246 3.532 -1.976) 4.055 ======================= Grid point 10 (8/104) ======================= q-point: (-0.50 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.536 ( 0.000 -16.490 0.000) 16.490 1.619 ( -0.000 -19.802 -0.000) 19.802 1.841 ( 0.000 7.179 0.000) 7.179 2.091 ( -0.000 12.236 -0.000) 12.236 2.520 ( 0.000 -10.154 0.000) 10.154 2.651 ( 0.000 14.362 0.000) 14.362 2.798 ( 0.000 17.769 -0.000) 17.769 3.057 ( 0.000 3.706 0.000) 3.706 3.217 ( -0.000 -13.304 -0.000) 13.304 3.275 ( 0.000 -1.962 -0.000) 1.962 3.292 ( -0.000 -2.222 0.000) 2.222 3.425 ( 0.000 3.276 0.000) 3.276 3.429 ( -0.000 -2.398 -0.000) 2.398 3.614 ( 0.000 2.717 0.000) 2.717 3.851 ( -0.000 -7.497 0.000) 7.497 3.993 ( 0.000 -1.685 -0.000) 1.685 4.104 ( -0.000 -5.465 -0.000) 5.465 4.131 ( 0.000 -6.806 0.000) 6.806 4.358 ( 0.000 -3.205 0.000) 3.205 4.582 ( 0.000 10.532 0.000) 10.532 4.697 ( 0.000 13.281 -0.000) 13.281 4.988 ( 0.000 6.416 -0.000) 6.416 5.134 ( -0.000 -5.831 -0.000) 5.831 5.135 ( 0.000 -1.036 0.000) 1.036 5.256 ( 0.000 6.971 -0.000) 6.971 5.415 ( 0.000 16.861 0.000) 16.861 5.453 ( 0.000 4.075 0.000) 4.075 5.654 ( 0.000 -6.701 -0.000) 6.701 5.708 ( -0.000 -9.607 0.000) 9.607 6.102 ( 0.000 -3.763 -0.000) 3.763 6.240 ( 0.000 0.128 -0.000) 0.128 6.529 ( 0.000 7.766 -0.000) 7.766 6.572 ( 0.000 1.607 -0.000) 1.607 6.660 ( 0.000 -0.530 -0.000) 0.530 7.106 ( 0.000 -7.173 0.000) 7.173 7.424 ( 0.000 -6.675 0.000) 6.675 7.502 ( 0.000 0.930 -0.000) 0.930 7.555 ( 0.000 2.443 -0.000) 2.443 7.593 ( 0.000 7.402 0.000) 7.402 7.662 ( -0.000 -12.100 -0.000) 12.100 7.874 ( -0.000 -1.663 -0.000) 1.663 7.923 ( 0.000 3.706 0.000) 3.706 8.041 ( -0.000 7.007 0.000) 7.007 8.151 ( -0.000 4.961 0.000) 4.961 8.317 ( 0.000 3.578 -0.000) 3.578 8.604 ( 0.000 -5.056 -0.000) 5.056 8.776 ( 0.000 -7.589 -0.000) 7.589 9.194 ( 0.000 -5.623 0.000) 5.623 9.667 ( 0.000 3.395 -0.000) 3.395 10.004 ( -0.000 4.603 0.000) 4.603 10.122 ( 0.000 5.120 0.000) 5.120 10.287 ( 0.000 -5.898 -0.000) 5.898 10.511 ( 0.000 3.527 -0.000) 3.527 10.619 ( 0.000 -1.616 -0.000) 1.616 10.953 ( 0.000 0.692 -0.000) 0.692 10.998 ( -0.000 -1.482 0.000) 1.482 11.132 ( 0.000 13.392 -0.000) 13.392 11.568 ( 0.000 -0.130 0.000) 0.130 11.913 ( -0.000 -4.482 -0.000) 4.482 11.999 ( 0.000 -2.775 -0.000) 2.775 12.311 ( 0.000 -11.450 0.000) 11.450 12.420 ( 0.000 -3.739 0.000) 3.739 12.473 ( 0.000 1.135 0.000) 1.135 12.749 ( 0.000 -4.742 -0.000) 4.742 13.414 ( -0.000 -16.392 -0.000) 16.392 13.575 ( 0.000 -1.146 -0.000) 1.146 13.599 ( 0.000 -6.902 0.000) 6.902 13.866 ( -0.000 1.380 -0.000) 1.380 13.942 ( 0.000 6.030 0.000) 6.030 14.056 ( 0.000 6.618 -0.000) 6.618 14.850 ( -0.000 -2.191 -0.000) 2.191 14.885 ( 0.000 12.181 0.000) 12.181 15.230 ( 0.000 -2.979 0.000) 2.979 15.391 ( 0.000 -13.720 0.000) 13.720 15.591 ( 0.000 7.007 -0.000) 7.007 15.708 ( 0.000 -1.988 0.000) 1.988 16.162 ( 0.000 -1.311 -0.000) 1.311 16.198 ( 0.000 13.003 0.000) 13.003 16.318 ( 0.000 4.280 0.000) 4.280 16.430 ( -0.000 1.292 0.000) 1.292 25.024 ( 0.000 0.444 -0.000) 0.444 25.044 ( 0.000 0.877 -0.000) 0.877 25.132 ( -0.000 0.941 0.000) 0.941 25.146 ( -0.000 0.709 0.000) 0.709 25.160 ( 0.000 3.620 0.000) 3.620 25.246 ( -0.000 2.775 0.000) 2.775 25.457 ( 0.000 -2.984 0.000) 2.984 25.690 ( 0.000 -2.471 0.000) 2.471 27.044 ( 0.000 2.739 -0.000) 2.739 27.117 ( -0.000 -1.429 -0.000) 1.429 27.473 ( 0.000 -7.659 -0.000) 7.659 28.128 ( 0.000 -10.330 0.000) 10.330 28.943 ( 0.000 -2.971 -0.000) 2.971 29.343 ( 0.000 -9.584 -0.000) 9.584 29.897 ( 0.000 16.608 0.000) 16.608 30.358 ( 0.000 4.190 -0.000) 4.190 ======================= Grid point 14 (9/104) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 0.000 28.847 0.000) 28.847 1.441 ( 0.000 33.426 0.000) 33.426 1.457 ( 0.000 23.713 0.000) 23.713 2.519 ( 0.000 -8.699 0.000) 8.699 2.675 ( 0.000 -17.980 0.000) 17.980 2.753 ( 0.000 -7.325 0.000) 7.325 2.829 ( 0.000 3.899 0.000) 3.899 3.061 ( 0.000 -1.518 0.000) 1.518 3.086 ( 0.000 4.623 0.000) 4.623 3.102 ( 0.000 5.390 0.000) 5.390 3.270 ( 0.000 -0.346 0.000) 0.346 3.381 ( 0.000 12.256 0.000) 12.256 3.415 ( 0.000 3.793 0.000) 3.793 3.533 ( 0.000 5.298 0.000) 5.298 3.692 ( 0.000 -9.663 0.000) 9.663 3.701 ( 0.000 5.113 0.000) 5.113 4.518 ( 0.000 -3.513 0.000) 3.513 4.546 ( 0.000 -0.280 0.000) 0.280 4.609 ( 0.000 -8.791 0.000) 8.791 4.733 ( 0.000 8.328 0.000) 8.328 4.790 ( 0.000 -7.225 0.000) 7.225 5.028 ( 0.000 -8.384 0.000) 8.384 5.149 ( 0.000 -4.327 0.000) 4.327 5.298 ( 0.000 13.343 0.000) 13.343 5.361 ( 0.000 -8.739 0.000) 8.739 5.415 ( 0.000 7.958 0.000) 7.958 5.496 ( 0.000 -3.624 0.000) 3.624 5.736 ( 0.000 6.872 0.000) 6.872 5.841 ( 0.000 2.559 0.000) 2.559 6.005 ( 0.000 -6.214 0.000) 6.214 6.237 ( 0.000 -9.043 0.000) 9.043 6.348 ( 0.000 -8.405 0.000) 8.405 6.688 ( 0.000 7.469 0.000) 7.469 6.791 ( 0.000 -0.862 0.000) 0.862 7.074 ( 0.000 1.016 0.000) 1.016 7.106 ( 0.000 3.764 0.000) 3.764 7.254 ( 0.000 -7.194 0.000) 7.194 7.313 ( 0.000 -2.314 0.000) 2.314 7.576 ( 0.000 -1.023 0.000) 1.023 7.615 ( 0.000 -2.286 0.000) 2.286 7.695 ( 0.000 -2.845 0.000) 2.845 7.832 ( 0.000 -4.610 0.000) 4.610 8.186 ( 0.000 10.373 0.000) 10.373 8.351 ( 0.000 7.505 0.000) 7.505 8.433 ( 0.000 7.310 0.000) 7.310 8.658 ( 0.000 3.786 0.000) 3.786 8.716 ( 0.000 6.148 0.000) 6.148 8.829 ( 0.000 -2.162 0.000) 2.162 9.827 ( 0.000 3.105 0.000) 3.105 10.028 ( 0.000 2.564 0.000) 2.564 10.108 ( 0.000 -2.549 0.000) 2.549 10.426 ( 0.000 -4.847 0.000) 4.847 10.775 ( 0.000 2.083 0.000) 2.083 10.999 ( 0.000 2.356 0.000) 2.356 11.018 ( 0.000 2.235 0.000) 2.235 11.162 ( 0.000 -3.981 0.000) 3.981 11.222 ( 0.000 4.795 0.000) 4.795 11.552 ( 0.000 -2.934 0.000) 2.934 11.592 ( 0.000 1.625 0.000) 1.625 12.050 ( 0.000 -4.817 0.000) 4.817 12.240 ( 0.000 -9.401 0.000) 9.401 12.500 ( 0.000 -2.080 0.000) 2.080 12.526 ( 0.000 -11.787 0.000) 11.787 12.787 ( 0.000 -6.749 0.000) 6.749 13.262 ( 0.000 0.059 0.000) 0.059 13.380 ( 0.000 0.672 0.000) 0.672 13.605 ( 0.000 3.643 0.000) 3.643 13.776 ( 0.000 -1.389 0.000) 1.389 14.091 ( 0.000 8.303 0.000) 8.303 14.253 ( 0.000 1.121 0.000) 1.121 14.256 ( 0.000 0.680 0.000) 0.680 14.669 ( 0.000 -9.302 0.000) 9.302 15.151 ( 0.000 3.147 0.000) 3.147 15.393 ( 0.000 -3.239 0.000) 3.239 15.836 ( 0.000 12.063 0.000) 12.063 15.924 ( 0.000 5.228 0.000) 5.228 16.071 ( 0.000 1.090 0.000) 1.090 16.152 ( 0.000 1.550 0.000) 1.550 16.229 ( 0.000 -4.289 0.000) 4.289 16.356 ( 0.000 -4.624 0.000) 4.624 25.022 ( 0.000 1.696 0.000) 1.696 25.092 ( 0.000 0.806 0.000) 0.806 25.104 ( 0.000 0.281 0.000) 0.281 25.165 ( 0.000 0.250 0.000) 0.250 25.269 ( 0.000 -0.751 0.000) 0.751 25.318 ( 0.000 4.597 0.000) 4.597 25.346 ( 0.000 -3.175 0.000) 3.175 25.541 ( 0.000 -2.142 0.000) 2.142 27.091 ( 0.000 0.669 0.000) 0.669 27.295 ( 0.000 4.946 0.000) 4.946 27.308 ( 0.000 -5.190 0.000) 5.190 27.553 ( 0.000 -1.679 0.000) 1.679 29.210 ( 0.000 -6.479 0.000) 6.479 29.274 ( 0.000 -9.040 0.000) 9.040 30.137 ( 0.000 10.386 0.000) 10.386 30.358 ( 0.000 3.448 0.000) 3.448 ======================= Grid point 15 (10/104) ======================= q-point: ( 0.17 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.809 ( -22.648 27.231 -1.454) 35.448 1.474 ( 15.698 27.820 -6.308) 32.560 2.049 ( 26.071 17.475 16.529) 35.472 2.235 ( -20.507 -16.904 -1.356) 26.610 2.656 ( -9.742 1.727 -2.611) 10.233 2.718 ( -2.442 0.030 -0.011) 2.442 2.882 ( 11.098 -10.407 -3.673) 15.652 2.910 ( -8.865 0.142 0.648) 8.890 3.154 ( -1.369 -3.339 -0.544) 3.649 3.198 ( 3.526 3.919 1.962) 5.625 3.277 ( 3.551 4.309 3.480) 6.580 3.362 ( -2.192 6.654 -1.074) 7.087 3.458 ( 3.767 4.447 -0.081) 5.829 3.581 ( 1.627 8.444 4.268) 9.600 3.675 ( -0.399 0.566 -1.995) 2.112 3.727 ( 4.580 -7.330 1.023) 8.703 4.379 ( -11.380 -5.034 -4.065) 13.091 4.480 ( -8.289 -1.933 -8.543) 12.060 4.584 ( 0.532 -2.122 1.646) 2.738 4.710 ( -3.197 1.474 -0.170) 3.524 4.807 ( -0.988 -1.950 9.531) 9.779 5.003 ( -1.958 -3.990 -1.618) 4.730 5.125 ( -0.976 -4.201 -0.512) 4.343 5.240 ( -3.923 7.226 -7.601) 11.197 5.354 ( -0.772 -1.689 5.414) 5.723 5.480 ( 4.587 4.035 -0.846) 6.168 5.527 ( 2.871 -2.068 -0.358) 3.556 5.677 ( -2.885 6.170 -3.375) 7.602 5.788 ( -3.020 6.198 -3.661) 7.806 6.051 ( 1.515 -3.721 -2.700) 4.841 6.315 ( 6.823 -8.569 6.426) 12.700 6.336 ( 0.172 -7.957 -3.670) 8.764 6.662 ( -1.669 7.248 -1.770) 7.646 6.788 ( -0.915 0.133 -4.288) 4.386 6.974 ( -6.386 3.054 -1.088) 7.162 7.012 ( 2.758 -0.765 2.805) 4.007 7.399 ( 2.424 -2.222 1.085) 3.463 7.423 ( 9.319 -4.547 3.284) 10.876 7.590 ( 0.822 1.770 2.526) 3.192 7.656 ( 1.432 -1.745 2.758) 3.565 7.699 ( -2.631 -6.623 8.117) 10.802 8.001 ( 13.605 -6.953 5.441) 16.219 8.211 ( 2.311 11.019 -0.504) 11.270 8.299 ( -2.643 4.647 -5.382) 7.586 8.376 ( -3.332 8.375 -2.182) 9.274 8.635 ( -3.473 2.237 0.773) 4.203 8.665 ( -4.199 4.858 -3.287) 7.214 8.918 ( 5.640 -5.143 5.718) 9.537 9.818 ( -0.669 3.897 -1.364) 4.183 9.991 ( -1.587 1.497 -1.220) 2.500 10.145 ( 3.286 -1.035 -0.711) 3.518 10.390 ( -3.234 -2.611 -0.821) 4.236 10.713 ( -7.543 3.423 7.054) 10.880 10.957 ( -8.726 4.875 -1.716) 10.142 10.982 ( -1.688 1.940 -2.342) 3.478 11.128 ( -6.312 0.393 7.203) 9.585 11.288 ( 2.918 0.131 -7.466) 8.017 11.400 ( 4.778 -0.947 -5.348) 7.233 11.691 ( 3.887 -3.647 -3.331) 6.285 11.977 ( -6.641 -6.767 -0.546) 9.497 12.187 ( -2.233 -11.799 -2.994) 12.376 12.367 ( -8.287 -0.254 1.168) 8.372 12.595 ( -0.232 -5.593 0.395) 5.612 12.766 ( -2.948 -11.277 -1.996) 11.826 13.193 ( -1.800 4.597 0.543) 4.966 13.447 ( 3.054 -4.293 1.904) 5.602 13.621 ( 1.850 5.611 -2.548) 6.434 13.809 ( 4.138 -0.453 -2.265) 4.739 14.071 ( -0.276 8.088 -0.972) 8.150 14.207 ( -1.978 -0.423 3.096) 3.699 14.444 ( 9.814 0.138 9.045) 13.348 14.791 ( 7.333 -9.916 7.955) 14.676 15.143 ( 1.300 2.400 -2.913) 3.992 15.395 ( -1.785 -1.585 2.269) 3.293 15.742 ( -4.770 9.728 -5.428) 12.119 15.840 ( -6.068 3.586 0.016) 7.049 16.117 ( -0.685 1.986 3.226) 3.849 16.169 ( 3.886 -2.381 -4.352) 6.302 16.253 ( 4.062 0.382 4.140) 5.812 16.479 ( 8.702 -1.996 -2.068) 9.164 25.029 ( 0.814 1.554 0.020) 1.754 25.080 ( -0.600 1.746 -1.136) 2.168 25.110 ( 0.597 1.076 0.493) 1.326 25.170 ( 0.094 -0.882 -0.325) 0.945 25.284 ( 1.243 1.453 -4.202) 4.617 25.316 ( 1.544 2.153 -1.274) 2.940 25.352 ( -0.329 -2.327 2.286) 3.278 25.559 ( 1.571 -2.619 1.320) 3.327 27.086 ( -0.569 0.332 0.320) 0.733 27.219 ( -4.192 4.727 -2.957) 6.976 27.319 ( 0.792 -4.045 -0.980) 4.237 27.661 ( 6.279 -7.778 7.455) 12.470 29.138 ( -8.028 -3.951 -1.306) 9.042 29.220 ( -2.834 -8.212 -0.738) 8.719 30.143 ( 0.766 12.181 1.968) 12.363 30.405 ( 3.300 2.076 -0.224) 3.905 ======================= Grid point 16 (11/104) ======================= q-point: ( 0.33 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.740 ( 14.416 0.016 7.821) 16.401 1.731 ( -9.271 -4.375 -8.778) 13.496 1.827 ( 2.166 5.646 3.254) 6.867 2.353 ( -3.950 -4.234 1.101) 5.894 2.562 ( -9.320 4.781 4.720) 11.489 2.743 ( 12.906 10.292 1.156) 16.548 2.830 ( 0.059 -2.763 4.727) 5.476 3.033 ( 7.157 -3.340 -2.317) 8.231 3.068 ( -4.458 -9.068 -2.616) 10.438 3.239 ( 1.406 5.853 2.518) 6.525 3.261 ( -3.664 -1.990 -0.799) 4.246 3.400 ( 1.736 4.864 2.603) 5.783 3.551 ( 7.521 2.893 -2.742) 8.512 3.581 ( -0.190 10.677 0.692) 10.701 3.705 ( 2.354 -5.469 -0.272) 5.961 3.856 ( 4.671 -2.926 7.912) 9.643 4.120 ( -10.870 -5.105 -7.812) 14.327 4.313 ( -9.209 1.219 -2.375) 9.589 4.414 ( -10.895 -2.815 -7.106) 13.309 4.755 ( 3.337 9.126 6.569) 11.729 4.851 ( -0.167 -4.571 5.590) 7.223 4.946 ( -1.990 -1.881 -4.464) 5.237 5.078 ( -2.505 -3.397 -0.443) 4.244 5.190 ( 1.701 6.700 -3.411) 7.708 5.367 ( -0.640 -6.296 3.532) 7.248 5.524 ( 0.407 5.496 -1.816) 5.803 5.572 ( 1.987 0.709 -0.987) 2.330 5.619 ( -1.360 5.749 -1.032) 5.997 5.746 ( 0.374 11.251 -2.932) 11.633 6.023 ( -1.316 -2.344 -1.288) 2.981 6.304 ( -0.350 -1.786 -2.431) 3.037 6.500 ( 5.751 -5.533 6.224) 10.121 6.634 ( -0.483 3.713 -1.185) 3.928 6.726 ( -3.323 3.133 -2.375) 5.147 6.921 ( 1.543 -3.560 -0.571) 3.922 7.169 ( 8.291 -8.016 1.237) 11.599 7.417 ( 1.040 -2.196 0.478) 2.477 7.537 ( 2.169 1.209 -0.891) 2.638 7.620 ( -0.814 2.236 2.179) 3.226 7.704 ( 2.679 -0.296 0.501) 2.742 7.740 ( 4.135 -1.160 8.869) 9.854 8.134 ( -4.512 6.575 -7.048) 10.643 8.191 ( 1.880 0.859 4.246) 4.722 8.243 ( -1.554 5.304 -2.980) 6.279 8.460 ( 1.306 -0.089 8.606) 8.705 8.508 ( -0.835 0.915 -2.642) 2.918 8.577 ( -3.792 -0.539 -3.833) 5.418 9.020 ( 1.535 -8.971 3.505) 9.753 9.785 ( -1.445 5.462 -1.833) 5.940 10.005 ( 2.912 2.257 1.049) 3.831 10.186 ( 1.261 -3.407 -3.714) 5.195 10.341 ( 0.035 5.852 0.506) 5.874 10.623 ( -6.974 2.130 7.703) 10.607 10.704 ( -10.812 5.120 -8.134) 14.467 10.946 ( -1.260 -1.526 -0.910) 2.178 11.051 ( -5.543 1.871 3.626) 6.883 11.305 ( 3.490 3.438 -2.904) 5.695 11.537 ( 4.046 -0.410 4.492) 6.060 11.737 ( 5.712 -5.756 -6.438) 10.354 11.851 ( -5.935 -14.937 0.795) 16.092 12.181 ( 1.880 -14.224 1.501) 14.426 12.255 ( -3.393 1.214 -3.678) 5.149 12.524 ( -5.110 -1.418 0.911) 5.380 12.631 ( -7.603 -11.657 -8.416) 16.263 13.252 ( 4.403 2.726 4.758) 7.032 13.491 ( 0.674 -4.202 1.376) 4.472 13.628 ( 0.526 6.205 -1.356) 6.373 13.879 ( 4.022 1.670 -1.475) 4.598 14.078 ( 0.755 7.541 0.584) 7.602 14.182 ( -2.766 2.163 2.734) 4.450 14.661 ( 8.676 -2.157 4.982) 10.235 14.909 ( 0.158 -8.716 5.459) 10.286 15.191 ( 4.815 0.457 -1.421) 5.041 15.342 ( -3.911 3.379 0.467) 5.189 15.683 ( -0.274 3.864 -1.247) 4.070 15.728 ( -4.913 0.211 -1.607) 5.174 16.124 ( 0.090 -0.601 2.226) 2.307 16.211 ( 2.209 -1.974 -2.037) 3.595 16.376 ( 6.725 4.984 2.088) 8.627 16.561 ( 1.449 3.400 -2.561) 4.497 25.049 ( 1.052 1.278 0.280) 1.679 25.064 ( -0.375 2.440 -0.611) 2.543 25.126 ( 1.041 0.513 -1.116) 1.610 25.166 ( -0.457 0.222 1.187) 1.291 25.264 ( -0.577 3.950 -2.254) 4.585 25.328 ( -0.122 3.325 -0.966) 3.465 25.369 ( 1.465 -3.898 -0.374) 4.181 25.602 ( 1.805 -3.657 1.252) 4.266 27.081 ( 0.064 -0.400 -0.013) 0.405 27.144 ( -2.877 3.572 -0.671) 4.636 27.326 ( 0.697 -4.717 -1.009) 4.874 27.802 ( 4.356 -13.661 5.377) 15.314 28.983 ( -6.468 -0.602 -1.661) 6.705 29.174 ( -1.941 -8.275 -0.126) 8.500 30.184 ( 1.894 13.237 1.904) 13.507 30.438 ( 0.723 2.689 -0.651) 2.859 ======================= Grid point 17 (12/104) ======================= q-point: (-0.50 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.206 ( 0.000 -19.408 0.000) 19.408 1.227 ( -0.000 -14.412 -0.000) 14.412 2.056 ( 0.000 13.517 0.000) 13.517 2.285 ( -0.000 -2.354 0.000) 2.354 2.406 ( 0.000 9.598 -0.000) 9.598 2.877 ( -0.000 -19.376 -0.000) 19.376 2.892 ( 0.000 8.270 0.000) 8.270 2.938 ( 0.000 -1.781 0.000) 1.781 3.155 ( -0.000 -10.158 0.000) 10.158 3.227 ( -0.000 -3.701 -0.000) 3.701 3.317 ( 0.000 18.711 0.000) 18.711 3.392 ( -0.000 0.036 -0.000) 0.036 3.580 ( 0.000 8.752 -0.000) 8.752 3.671 ( -0.000 2.626 -0.000) 2.626 3.711 ( 0.000 -6.410 0.000) 6.410 3.947 ( 0.000 1.232 0.000) 1.232 3.958 ( 0.000 -10.240 -0.000) 10.240 4.132 ( 0.000 8.353 0.000) 8.353 4.315 ( 0.000 -1.087 0.000) 1.087 4.812 ( 0.000 9.689 -0.000) 9.689 4.864 ( 0.000 1.110 -0.000) 1.110 4.908 ( 0.000 -11.590 0.000) 11.590 5.064 ( 0.000 -1.312 -0.000) 1.312 5.201 ( 0.000 9.160 -0.000) 9.160 5.373 ( -0.000 -11.614 0.000) 11.614 5.501 ( 0.000 5.749 -0.000) 5.749 5.583 ( 0.000 2.643 0.000) 2.643 5.620 ( 0.000 7.792 -0.000) 7.792 5.742 ( 0.000 13.842 0.000) 13.842 6.010 ( 0.000 -5.118 -0.000) 5.118 6.297 ( 0.000 3.781 -0.000) 3.781 6.567 ( 0.000 -3.495 -0.000) 3.495 6.625 ( 0.000 2.700 -0.000) 2.700 6.680 ( 0.000 3.784 -0.000) 3.784 6.953 ( 0.000 -7.764 0.000) 7.764 7.232 ( 0.000 -11.690 -0.000) 11.690 7.459 ( 0.000 -4.372 -0.000) 4.372 7.557 ( 0.000 2.624 -0.000) 2.624 7.590 ( -0.000 1.847 0.000) 1.847 7.754 ( 0.000 2.860 -0.000) 2.860 7.849 ( 0.000 3.279 -0.000) 3.279 8.030 ( 0.000 6.159 -0.000) 6.159 8.174 ( 0.000 4.844 -0.000) 4.844 8.255 ( 0.000 4.015 0.000) 4.015 8.395 ( 0.000 3.877 0.000) 3.877 8.497 ( -0.000 -4.372 -0.000) 4.372 8.626 ( 0.000 -5.931 -0.000) 5.931 9.032 ( 0.000 -10.343 -0.000) 10.343 9.765 ( 0.000 6.212 -0.000) 6.212 10.052 ( -0.000 3.651 0.000) 3.651 10.163 ( 0.000 -6.411 0.000) 6.411 10.383 ( 0.000 17.320 0.000) 17.320 10.536 ( 0.000 -6.307 -0.000) 6.307 10.596 ( 0.000 4.667 -0.000) 4.667 10.935 ( 0.000 -4.309 0.000) 4.309 11.001 ( -0.000 3.964 -0.000) 3.964 11.335 ( 0.000 5.388 -0.000) 5.388 11.577 ( 0.000 0.626 0.000) 0.626 11.778 ( -0.000 -17.035 0.000) 17.035 11.807 ( 0.000 -5.554 -0.000) 5.554 12.178 ( 0.000 -8.016 -0.000) 8.016 12.267 ( 0.000 -11.380 0.000) 11.380 12.466 ( 0.000 -10.433 0.000) 10.433 12.503 ( -0.000 1.537 -0.000) 1.537 13.322 ( 0.000 1.320 0.000) 1.320 13.495 ( 0.000 -3.958 0.000) 3.958 13.630 ( 0.000 6.768 -0.000) 6.768 13.914 ( 0.000 2.182 -0.000) 2.182 14.090 ( 0.000 7.346 -0.000) 7.346 14.158 ( 0.000 4.090 0.000) 4.090 14.776 ( -0.000 -4.396 0.000) 4.396 14.899 ( 0.000 -5.784 -0.000) 5.784 15.250 ( 0.000 -0.994 0.000) 0.994 15.295 ( -0.000 4.956 -0.000) 4.956 15.669 ( 0.000 -1.696 -0.000) 1.696 15.687 ( -0.000 2.171 0.000) 2.171 16.135 ( 0.000 -1.052 0.000) 1.052 16.223 ( 0.000 -2.592 0.000) 2.592 16.481 ( 0.000 3.928 0.000) 3.928 16.530 ( -0.000 8.930 0.000) 8.930 25.055 ( -0.000 2.649 -0.000) 2.649 25.066 ( 0.000 1.183 0.000) 1.183 25.130 ( -0.000 -0.710 0.000) 0.710 25.169 ( 0.000 1.463 -0.000) 1.463 25.250 ( 0.000 4.469 0.000) 4.469 25.321 ( -0.000 4.400 0.000) 4.400 25.383 ( 0.000 -4.117 -0.000) 4.117 25.624 ( 0.000 -4.067 0.000) 4.067 27.086 ( 0.000 -1.358 -0.000) 1.358 27.111 ( -0.000 3.220 0.000) 3.220 27.330 ( 0.000 -4.992 0.000) 4.992 27.860 ( -0.000 -15.415 0.000) 15.415 28.916 ( 0.000 0.278 -0.000) 0.278 29.155 ( 0.000 -8.321 0.000) 8.321 30.211 ( 0.000 13.489 0.000) 13.489 30.439 ( 0.000 3.335 -0.000) 3.335 ======================= Grid point 21 (13/104) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( 0.000 23.280 0.000) 23.280 1.832 ( 0.000 15.966 0.000) 15.966 2.047 ( 0.000 27.397 0.000) 27.397 2.246 ( 0.000 -17.024 0.000) 17.024 2.269 ( 0.000 -19.871 0.000) 19.871 2.507 ( 0.000 -18.422 0.000) 18.422 2.914 ( 0.000 4.291 0.000) 4.291 2.994 ( 0.000 -3.736 0.000) 3.736 3.197 ( 0.000 4.923 0.000) 4.923 3.225 ( 0.000 3.365 0.000) 3.365 3.318 ( 0.000 4.859 0.000) 4.859 3.423 ( 0.000 -2.875 0.000) 2.875 3.445 ( 0.000 0.436 0.000) 0.436 3.537 ( 0.000 -6.520 0.000) 6.520 3.811 ( 0.000 22.081 0.000) 22.081 4.054 ( 0.000 22.506 0.000) 22.506 4.274 ( 0.000 -22.307 0.000) 22.307 4.417 ( 0.000 -12.486 0.000) 12.486 4.510 ( 0.000 3.571 0.000) 3.571 4.661 ( 0.000 -9.363 0.000) 9.363 4.898 ( 0.000 -1.386 0.000) 1.386 4.920 ( 0.000 8.096 0.000) 8.096 4.985 ( 0.000 -4.936 0.000) 4.936 5.147 ( 0.000 -11.011 0.000) 11.011 5.536 ( 0.000 4.668 0.000) 4.668 5.541 ( 0.000 4.026 0.000) 4.026 5.653 ( 0.000 15.354 0.000) 15.354 5.830 ( 0.000 -3.513 0.000) 3.513 5.847 ( 0.000 3.217 0.000) 3.217 5.900 ( 0.000 -4.031 0.000) 4.031 6.078 ( 0.000 -4.104 0.000) 4.104 6.158 ( 0.000 -9.679 0.000) 9.679 6.796 ( 0.000 1.131 0.000) 1.131 6.796 ( 0.000 2.509 0.000) 2.509 7.074 ( 0.000 -0.492 0.000) 0.492 7.098 ( 0.000 -3.593 0.000) 3.593 7.205 ( 0.000 2.543 0.000) 2.543 7.259 ( 0.000 -2.810 0.000) 2.810 7.585 ( 0.000 1.560 0.000) 1.560 7.615 ( 0.000 -0.347 0.000) 0.347 7.666 ( 0.000 1.414 0.000) 1.414 7.738 ( 0.000 -4.612 0.000) 4.612 8.411 ( 0.000 11.262 0.000) 11.262 8.479 ( 0.000 5.257 0.000) 5.257 8.508 ( 0.000 0.437 0.000) 0.437 8.632 ( 0.000 -7.590 0.000) 7.590 8.808 ( 0.000 2.641 0.000) 2.641 8.815 ( 0.000 1.281 0.000) 1.281 9.902 ( 0.000 4.449 0.000) 4.449 10.011 ( 0.000 -6.198 0.000) 6.198 10.130 ( 0.000 7.791 0.000) 7.791 10.300 ( 0.000 -8.120 0.000) 8.120 10.871 ( 0.000 7.579 0.000) 7.579 11.035 ( 0.000 0.965 0.000) 0.965 11.038 ( 0.000 -4.447 0.000) 4.447 11.042 ( 0.000 -3.522 0.000) 3.522 11.353 ( 0.000 7.612 0.000) 7.612 11.484 ( 0.000 -4.922 0.000) 4.922 11.693 ( 0.000 8.995 0.000) 8.995 11.922 ( 0.000 -11.743 0.000) 11.743 12.086 ( 0.000 1.850 0.000) 1.850 12.262 ( 0.000 -13.140 0.000) 13.140 12.550 ( 0.000 4.823 0.000) 4.823 12.657 ( 0.000 -5.972 0.000) 5.972 13.300 ( 0.000 2.778 0.000) 2.778 13.352 ( 0.000 -2.341 0.000) 2.341 13.692 ( 0.000 3.881 0.000) 3.881 13.748 ( 0.000 -1.892 0.000) 1.892 14.230 ( 0.000 3.241 0.000) 3.241 14.256 ( 0.000 -0.542 0.000) 0.542 14.312 ( 0.000 7.093 0.000) 7.093 14.487 ( 0.000 -9.265 0.000) 9.265 15.224 ( 0.000 4.149 0.000) 4.149 15.312 ( 0.000 -4.548 0.000) 4.548 16.022 ( 0.000 6.849 0.000) 6.849 16.066 ( 0.000 7.790 0.000) 7.790 16.108 ( 0.000 2.574 0.000) 2.574 16.135 ( 0.000 -3.676 0.000) 3.676 16.158 ( 0.000 -1.897 0.000) 1.897 16.236 ( 0.000 -7.412 0.000) 7.412 25.059 ( 0.000 1.913 0.000) 1.913 25.091 ( 0.000 -1.107 0.000) 1.107 25.127 ( 0.000 1.918 0.000) 1.918 25.159 ( 0.000 -1.026 0.000) 1.026 25.263 ( 0.000 0.388 0.000) 0.388 25.289 ( 0.000 -2.237 0.000) 2.237 25.407 ( 0.000 4.308 0.000) 4.308 25.485 ( 0.000 -3.439 0.000) 3.439 27.127 ( 0.000 3.003 0.000) 3.003 27.207 ( 0.000 -4.837 0.000) 4.837 27.398 ( 0.000 5.298 0.000) 5.298 27.494 ( 0.000 -4.152 0.000) 4.152 29.125 ( 0.000 -1.865 0.000) 1.865 29.143 ( 0.000 -3.800 0.000) 3.800 30.305 ( 0.000 6.341 0.000) 6.341 30.381 ( 0.000 -1.310 0.000) 1.310 ======================= Grid point 22 (14/104) ======================= q-point: ( 0.17 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( -26.149 25.361 -0.995) 36.441 1.819 ( -24.055 -23.705 -0.198) 33.773 2.006 ( 11.242 25.172 -9.611) 29.196 2.321 ( 11.393 9.642 10.136) 18.042 2.491 ( 9.075 -15.023 -7.687) 19.161 2.628 ( 7.035 -10.732 5.718) 14.049 2.789 ( -2.798 1.826 -5.213) 6.192 2.854 ( -8.885 -4.182 -2.855) 10.226 3.192 ( -5.417 6.161 -2.609) 8.608 3.288 ( 0.411 -0.013 0.715) 0.825 3.348 ( 0.093 4.077 1.676) 4.409 3.381 ( 1.898 -0.020 2.992) 3.543 3.507 ( 3.787 -1.043 6.354) 7.470 3.555 ( 1.963 -5.185 1.118) 5.656 3.847 ( 2.681 20.017 -2.287) 20.325 3.961 ( -5.864 15.653 -2.757) 16.941 4.231 ( -10.844 -9.974 -5.799) 15.834 4.274 ( -0.182 -18.070 -4.840) 18.708 4.574 ( 0.741 5.156 4.438) 6.843 4.712 ( 1.971 -4.720 3.273) 6.072 4.863 ( -4.303 5.815 6.144) 9.491 4.912 ( -0.805 0.908 -4.488) 4.649 4.983 ( 1.784 -7.788 0.730) 8.022 5.086 ( -5.003 -12.079 -2.966) 13.407 5.522 ( -3.640 6.495 2.575) 7.878 5.562 ( 1.520 2.236 0.544) 2.758 5.657 ( 2.716 12.211 -1.940) 12.659 5.778 ( -0.548 1.520 -4.316) 4.609 5.886 ( 1.993 3.913 -3.455) 5.587 5.966 ( 2.232 -4.046 2.484) 5.246 6.153 ( 5.891 -6.197 5.528) 10.181 6.163 ( 4.317 -7.730 -1.836) 9.042 6.783 ( -1.004 4.022 -4.552) 6.157 6.805 ( 0.599 1.196 -2.028) 2.429 6.981 ( -2.046 -0.742 0.252) 2.191 7.001 ( -5.690 -1.275 -2.260) 6.254 7.339 ( 5.708 -0.807 4.470) 7.295 7.368 ( 5.493 -2.483 6.263) 8.693 7.595 ( 0.669 -0.335 6.772) 6.813 7.608 ( -1.459 -2.036 5.225) 5.795 7.729 ( 5.502 6.465 2.738) 8.920 7.866 ( 9.896 -6.937 3.370) 12.547 8.395 ( -5.151 4.429 -6.227) 9.215 8.408 ( -2.111 5.507 -2.896) 6.571 8.507 ( 1.455 6.715 -0.743) 6.911 8.648 ( -0.451 -3.333 -0.122) 3.366 8.737 ( -5.918 2.437 -2.827) 6.997 8.794 ( -1.673 -5.065 0.942) 5.417 9.910 ( 0.783 5.052 -0.112) 5.114 10.005 ( 0.779 -3.073 -2.555) 4.072 10.140 ( 0.578 4.822 1.839) 5.193 10.289 ( -0.273 -7.660 -1.157) 7.752 10.829 ( -6.710 7.789 7.198) 12.550 10.962 ( -6.079 -3.880 3.837) 8.169 11.063 ( -0.839 3.146 1.599) 3.627 11.109 ( 0.474 -2.073 5.908) 6.279 11.353 ( -2.791 7.659 -7.975) 11.404 11.415 ( 3.461 2.293 -8.584) 9.536 11.603 ( -1.636 -3.941 -5.021) 6.589 11.724 ( -12.025 -15.491 -12.956) 23.503 12.107 ( -1.222 4.890 4.187) 6.552 12.282 ( -2.836 -10.125 4.472) 11.426 12.547 ( -0.039 2.650 -4.071) 4.858 12.625 ( -3.113 -4.619 -2.912) 6.285 13.280 ( -1.163 4.584 2.976) 5.588 13.371 ( 0.851 -4.241 3.507) 5.569 13.725 ( 2.747 4.367 -1.296) 5.319 13.789 ( 4.895 -2.024 -1.461) 5.495 14.197 ( -1.113 3.698 -1.017) 3.994 14.219 ( -1.039 1.088 1.864) 2.396 14.474 ( 8.855 3.908 7.893) 12.489 14.607 ( 7.442 -8.615 7.415) 13.586 15.221 ( 0.639 4.951 -0.869) 5.067 15.323 ( 0.442 -4.918 1.384) 5.128 15.876 ( -7.943 4.187 -6.117) 10.865 15.908 ( -9.684 1.588 -4.228) 10.685 16.102 ( 0.100 -0.007 1.928) 1.930 16.141 ( 1.245 -2.426 -1.053) 2.923 16.313 ( 9.946 5.072 3.172) 11.606 16.414 ( 11.043 -4.501 0.536) 11.937 25.063 ( 0.699 1.887 -0.436) 2.060 25.100 ( 1.061 -1.603 -1.161) 2.245 25.126 ( 0.043 2.629 -0.224) 2.639 25.165 ( -0.063 -0.725 1.795) 1.937 25.281 ( 2.359 -0.280 -2.213) 3.246 25.296 ( 0.426 -1.631 0.555) 1.775 25.409 ( -0.136 4.607 1.045) 4.726 25.494 ( 0.701 -3.903 0.971) 4.083 27.115 ( -1.026 2.705 -0.757) 2.991 27.189 ( -1.414 -4.504 -1.715) 5.023 27.375 ( -1.305 6.703 -1.063) 6.911 27.515 ( 1.255 -7.228 1.824) 7.559 29.082 ( -4.688 -1.185 -0.539) 4.866 29.103 ( -3.068 -3.443 -0.262) 4.619 30.330 ( 2.091 6.773 1.446) 7.235 30.413 ( 2.557 -1.675 0.764) 3.151 ======================= Grid point 23 (15/104) ======================= q-point: ( 0.33 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.943 ( -13.031 17.774 -0.506) 22.045 1.352 ( -24.541 -21.924 -4.082) 33.160 2.199 ( 12.474 19.843 -1.559) 23.489 2.374 ( -8.213 7.129 -2.552) 11.170 2.519 ( 3.503 -10.871 1.663) 11.542 2.613 ( -6.670 -13.837 -2.120) 15.506 2.874 ( 8.583 0.425 4.355) 9.634 2.908 ( 9.017 -3.766 -0.439) 9.781 3.025 ( -8.584 6.347 -4.562) 11.609 3.181 ( -6.800 -6.755 -2.424) 9.887 3.397 ( 4.168 6.774 0.890) 8.003 3.476 ( 3.615 -0.067 1.820) 4.048 3.601 ( 2.473 -0.994 4.449) 5.186 3.632 ( 3.494 -1.449 4.469) 5.855 3.767 ( -3.998 9.845 -7.209) 12.840 3.894 ( -8.801 -0.520 4.012) 9.686 4.065 ( 1.546 5.700 -6.300) 8.635 4.267 ( 0.992 -8.340 -2.836) 8.864 4.519 ( -7.584 13.239 2.484) 15.458 4.720 ( -2.076 -5.968 2.426) 6.769 4.834 ( -3.187 -1.855 -1.775) 4.093 4.918 ( 3.900 3.996 1.459) 5.771 4.968 ( -3.428 -10.938 0.109) 11.463 5.049 ( 3.250 -9.942 -2.391) 10.729 5.457 ( -4.462 9.519 2.579) 10.825 5.571 ( -0.590 -1.432 0.219) 1.564 5.706 ( 2.762 9.502 -1.203) 9.968 5.781 ( 2.427 5.206 -1.910) 6.053 5.894 ( 1.902 3.317 -4.039) 5.562 5.953 ( -3.357 -3.989 2.669) 5.857 6.269 ( 7.318 -0.078 0.517) 7.337 6.353 ( 8.588 -7.670 5.310) 12.680 6.722 ( -1.958 5.263 -3.285) 6.506 6.794 ( 0.158 0.800 -2.808) 2.924 6.880 ( -5.156 1.350 -0.790) 5.389 7.001 ( 0.480 -8.314 0.018) 8.328 7.428 ( 4.007 3.529 2.047) 5.719 7.518 ( 6.774 -3.886 1.997) 8.060 7.623 ( -0.968 0.658 4.972) 5.108 7.655 ( 0.276 -2.476 5.791) 6.304 7.876 ( 7.834 9.882 5.699) 13.838 8.066 ( 7.332 -8.487 6.004) 12.722 8.262 ( -3.728 3.017 -6.488) 8.068 8.300 ( -5.579 0.067 -4.669) 7.275 8.535 ( -6.029 4.850 0.711) 7.770 8.560 ( -3.877 2.178 -2.487) 5.095 8.606 ( -1.644 5.429 -3.543) 6.688 8.808 ( 0.546 -11.651 1.833) 11.807 9.910 ( -0.536 6.641 -0.904) 6.724 10.026 ( 1.983 -3.723 -1.180) 4.380 10.159 ( 0.508 5.072 1.042) 5.203 10.311 ( 3.797 -7.535 -0.415) 8.448 10.742 ( -6.655 7.724 7.577) 12.703 10.867 ( -6.947 -1.797 3.541) 8.002 10.912 ( -8.814 10.515 -8.317) 16.045 11.088 ( -3.626 -1.034 0.527) 3.807 11.328 ( 3.589 0.843 -2.573) 4.496 11.472 ( -6.324 -13.990 -9.013) 17.803 11.552 ( 8.495 -0.784 3.860) 9.364 11.629 ( 4.939 -6.336 2.343) 8.369 12.047 ( -5.108 1.962 -3.981) 6.767 12.183 ( -7.932 -8.915 -3.824) 12.531 12.494 ( -2.312 1.973 -3.164) 4.387 12.542 ( -2.871 -1.887 -1.864) 3.909 13.317 ( 1.812 3.938 4.676) 6.376 13.408 ( 0.387 -4.756 3.258) 5.778 13.767 ( 2.560 6.896 -0.945) 7.416 13.871 ( 3.981 -3.061 -0.643) 5.063 14.195 ( 0.592 3.854 0.063) 3.900 14.221 ( -0.205 1.180 1.317) 1.780 14.654 ( 5.749 2.168 5.479) 8.233 14.749 ( 2.868 -6.954 5.814) 9.507 15.252 ( 2.649 4.588 0.521) 5.323 15.336 ( -0.043 -3.119 1.622) 3.516 15.727 ( -5.801 1.110 -3.253) 6.742 15.737 ( -4.644 0.124 -5.498) 7.198 16.121 ( 0.720 0.838 0.904) 1.427 16.159 ( 1.151 -2.739 -0.869) 3.096 16.489 ( 7.229 5.585 1.922) 9.335 16.571 ( 5.677 -2.220 -0.107) 6.096 25.077 ( 0.903 1.557 -0.014) 1.800 25.109 ( 0.540 -1.522 -0.764) 1.787 25.125 ( -0.014 3.395 -0.462) 3.426 25.175 ( 0.201 -0.859 0.973) 1.313 25.304 ( 0.673 0.308 -0.871) 1.143 25.309 ( 1.346 -1.400 -0.830) 2.112 25.416 ( 0.107 5.209 1.071) 5.320 25.517 ( 0.928 -4.838 1.097) 5.047 27.089 ( -1.026 1.611 -0.733) 2.046 27.142 ( -2.075 -3.203 -1.877) 4.253 27.357 ( -0.245 7.339 -0.344) 7.351 27.550 ( 1.214 -11.567 1.503) 11.727 28.989 ( -4.188 1.516 -0.557) 4.489 29.048 ( -2.521 -4.552 -0.027) 5.203 30.381 ( 2.127 6.735 1.398) 7.200 30.457 ( 1.543 -1.147 0.465) 1.978 ======================= Grid point 24 (16/104) ======================= q-point: (-0.50 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.936 ( 0.000 -6.080 0.000) 6.080 0.982 ( -0.000 -9.249 -0.000) 9.249 2.273 ( 0.000 5.265 0.000) 5.265 2.347 ( 0.000 14.493 0.000) 14.493 2.507 ( 0.000 -15.771 -0.000) 15.771 2.578 ( 0.000 -1.854 -0.000) 1.854 2.912 ( 0.000 4.113 -0.000) 4.113 2.974 ( -0.000 1.175 0.000) 1.175 3.003 ( 0.000 -3.245 0.000) 3.245 3.095 ( 0.000 -9.520 -0.000) 9.520 3.456 ( 0.000 4.868 0.000) 4.868 3.513 ( 0.000 0.409 -0.000) 0.409 3.645 ( -0.000 -0.146 0.000) 0.146 3.685 ( 0.000 -2.349 -0.000) 2.349 3.710 ( 0.000 5.079 0.000) 5.079 3.784 ( 0.000 -5.074 -0.000) 5.074 4.085 ( 0.000 11.114 -0.000) 11.114 4.271 ( 0.000 -5.335 0.000) 5.335 4.434 ( -0.000 19.917 0.000) 19.917 4.705 ( 0.000 -7.744 0.000) 7.744 4.784 ( 0.000 -2.923 -0.000) 2.923 4.940 ( 0.000 -15.820 -0.000) 15.820 4.973 ( 0.000 4.957 0.000) 4.957 5.076 ( 0.000 -8.053 0.000) 8.053 5.419 ( 0.000 10.830 0.000) 10.830 5.563 ( 0.000 -2.592 -0.000) 2.592 5.728 ( 0.000 9.091 0.000) 9.091 5.804 ( 0.000 6.856 -0.000) 6.856 5.912 ( 0.000 -3.841 -0.000) 3.841 5.915 ( -0.000 2.588 0.000) 2.588 6.354 ( 0.000 2.916 -0.000) 2.916 6.455 ( -0.000 -6.690 -0.000) 6.690 6.691 ( 0.000 4.749 -0.000) 4.749 6.787 ( 0.000 1.732 0.000) 1.732 6.825 ( 0.000 -0.071 0.000) 0.071 7.000 ( -0.000 -11.110 -0.000) 11.110 7.482 ( 0.000 5.796 -0.000) 5.796 7.599 ( 0.000 -2.555 -0.000) 2.555 7.614 ( -0.000 2.597 0.000) 2.597 7.676 ( 0.000 -5.381 -0.000) 5.381 8.018 ( 0.000 9.347 -0.000) 9.347 8.120 ( 0.000 1.392 0.000) 1.392 8.207 ( -0.000 -0.394 -0.000) 0.394 8.240 ( 0.000 -4.666 0.000) 4.666 8.454 ( 0.000 1.795 0.000) 1.795 8.465 ( -0.000 0.225 -0.000) 0.225 8.626 ( 0.000 6.326 0.000) 6.326 8.811 ( 0.000 -11.112 -0.000) 11.112 9.899 ( 0.000 7.007 -0.000) 7.007 10.034 ( 0.000 -6.655 0.000) 6.655 10.176 ( 0.000 8.566 0.000) 8.566 10.367 ( 0.000 -9.927 0.000) 9.927 10.710 ( 0.000 6.350 0.000) 6.350 10.752 ( 0.000 18.581 -0.000) 18.581 10.836 ( 0.000 -5.074 0.000) 5.074 11.043 ( 0.000 -4.346 0.000) 4.346 11.356 ( 0.000 -1.949 0.000) 1.949 11.392 ( 0.000 -11.352 0.000) 11.352 11.675 ( -0.000 3.458 -0.000) 3.458 11.725 ( 0.000 -2.355 0.000) 2.355 11.974 ( 0.000 -6.079 -0.000) 6.079 12.032 ( 0.000 -10.150 0.000) 10.150 12.461 ( -0.000 3.731 0.000) 3.731 12.514 ( 0.000 -0.963 -0.000) 0.963 13.356 ( 0.000 2.269 0.000) 2.269 13.418 ( -0.000 -3.809 -0.000) 3.809 13.791 ( 0.000 7.961 0.000) 7.961 13.907 ( 0.000 -3.274 -0.000) 3.274 14.203 ( 0.000 3.608 -0.000) 3.608 14.222 ( 0.000 1.681 0.000) 1.681 14.728 ( 0.000 0.205 0.000) 0.205 14.784 ( 0.000 -4.958 -0.000) 4.958 15.290 ( 0.000 3.429 0.000) 3.429 15.338 ( -0.000 -0.596 -0.000) 0.596 15.654 ( 0.000 0.495 -0.000) 0.495 15.683 ( -0.000 -1.768 0.000) 1.768 16.131 ( 0.000 0.823 0.000) 0.823 16.167 ( 0.000 -2.623 -0.000) 2.623 16.569 ( 0.000 4.244 0.000) 4.244 16.616 ( -0.000 0.292 0.000) 0.292 25.089 ( 0.000 1.118 -0.000) 1.118 25.110 ( 0.000 -0.725 0.000) 0.725 25.123 ( 0.000 3.384 0.000) 3.384 25.180 ( 0.000 -1.242 0.000) 1.242 25.306 ( 0.000 1.074 -0.000) 1.074 25.320 ( -0.000 -1.527 0.000) 1.527 25.421 ( 0.000 5.617 -0.000) 5.617 25.531 ( 0.000 -5.286 0.000) 5.286 27.077 ( -0.000 0.713 -0.000) 0.713 27.114 ( 0.000 -2.402 0.000) 2.402 27.355 ( 0.000 7.379 0.000) 7.379 27.567 ( 0.000 -13.352 0.000) 13.352 28.947 ( 0.000 2.733 -0.000) 2.733 29.024 ( 0.000 -5.099 0.000) 5.099 30.407 ( 0.000 6.358 0.000) 6.358 30.471 ( 0.000 -0.435 -0.000) 0.435 ======================= Grid point 49 (17/104) ======================= q-point: ( 0.00 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.680 ( -10.557 0.000 34.807) 36.373 0.696 ( 5.483 0.000 35.654) 36.073 1.254 ( 4.204 0.000 63.897) 64.035 2.737 ( -3.913 0.000 1.187) 4.089 2.753 ( 4.197 0.000 0.842) 4.280 2.772 ( 6.357 0.000 4.571) 7.830 2.820 ( 0.822 0.000 -1.283) 1.523 3.011 ( -8.578 0.000 8.292) 11.930 3.056 ( 15.100 0.000 -6.720) 16.528 3.140 ( -2.721 0.000 -1.297) 3.015 3.158 ( -4.693 0.000 0.723) 4.749 3.237 ( 1.717 0.000 1.503) 2.282 3.401 ( -3.938 0.000 -0.621) 3.987 3.507 ( -1.987 0.000 6.433) 6.733 3.954 ( 1.419 0.000 -11.698) 11.784 4.033 ( 3.089 0.000 0.139) 3.092 4.179 ( 1.925 0.000 -6.542) 6.819 4.406 ( 1.015 0.000 -0.698) 1.232 4.506 ( -0.340 0.000 -0.846) 0.912 4.604 ( -1.979 0.000 -4.566) 4.977 4.861 ( 1.738 0.000 11.069) 11.204 4.880 ( -3.600 0.000 1.196) 3.794 5.160 ( -3.841 0.000 -2.775) 4.738 5.189 ( 1.247 0.000 -4.029) 4.217 5.420 ( -8.259 0.000 -6.470) 10.492 5.479 ( -7.396 0.000 8.589) 11.335 5.506 ( -1.820 0.000 6.297) 6.554 5.773 ( 8.842 0.000 4.132) 9.760 5.834 ( -3.894 0.000 6.336) 7.437 6.220 ( -3.386 0.000 -2.554) 4.241 6.287 ( 4.412 0.000 -8.205) 9.316 6.520 ( -0.260 0.000 -5.369) 5.376 6.645 ( -16.374 0.000 -5.918) 17.410 6.785 ( 7.684 0.000 3.430) 8.415 6.925 ( 11.755 0.000 -3.552) 12.280 6.996 ( -11.687 0.000 2.523) 11.956 7.065 ( 9.046 0.000 2.167) 9.302 7.476 ( -0.089 0.000 -1.957) 1.959 7.602 ( -2.124 0.000 -11.789) 11.979 7.726 ( -1.979 0.000 -9.166) 9.377 7.899 ( 2.119 0.000 -3.850) 4.394 8.015 ( -4.796 0.000 2.404) 5.364 8.052 ( -7.596 0.000 0.205) 7.598 8.055 ( 8.468 0.000 2.502) 8.829 8.522 ( -0.764 0.000 1.597) 1.770 8.605 ( 1.947 0.000 2.921) 3.511 8.849 ( 10.287 0.000 3.429) 10.843 9.140 ( 3.892 0.000 -10.000) 10.730 9.797 ( -0.195 0.000 0.386) 0.432 9.907 ( 0.602 0.000 1.079) 1.235 10.114 ( -0.667 0.000 2.190) 2.289 10.201 ( 12.754 0.000 4.690) 13.589 10.581 ( -1.317 0.000 4.641) 4.824 10.944 ( -0.121 0.000 1.273) 1.279 10.960 ( -0.593 0.000 0.817) 1.010 10.995 ( -9.280 0.000 2.057) 9.505 11.135 ( 4.772 0.000 -2.536) 5.404 11.265 ( -0.849 0.000 2.126) 2.289 11.783 ( -2.680 0.000 3.621) 4.505 11.999 ( 3.481 0.000 -10.465) 11.029 12.463 ( -0.017 0.000 -7.759) 7.759 12.609 ( -4.795 0.000 -8.953) 10.156 12.772 ( -2.188 0.000 -1.162) 2.477 13.050 ( 21.285 0.000 0.682) 21.296 13.327 ( -16.108 0.000 -15.468) 22.332 13.352 ( 10.546 0.000 15.542) 18.782 13.652 ( -5.952 0.000 -4.748) 7.614 13.970 ( -1.522 0.000 9.516) 9.637 14.117 ( 9.700 0.000 -3.090) 10.181 14.310 ( 1.354 0.000 4.224) 4.435 14.758 ( -35.259 0.000 -3.092) 35.394 14.968 ( -0.454 0.000 -7.307) 7.322 15.207 ( -3.479 0.000 4.963) 6.060 15.334 ( 20.518 0.000 -0.594) 20.527 15.390 ( 6.905 0.000 4.395) 8.185 15.500 ( 7.668 0.000 6.351) 9.957 15.911 ( 6.479 0.000 -1.288) 6.605 16.128 ( 2.365 0.000 2.914) 3.753 16.236 ( 2.011 0.000 -3.955) 4.437 16.466 ( -4.841 0.000 1.696) 5.129 25.002 ( -0.817 0.000 0.879) 1.200 25.025 ( 1.347 0.000 3.432) 3.687 25.106 ( -1.593 0.000 0.171) 1.602 25.135 ( -3.933 0.000 0.678) 3.991 25.281 ( 2.200 0.000 0.253) 2.215 25.470 ( -3.173 0.000 6.072) 6.851 25.575 ( -0.290 0.000 -0.086) 0.303 25.877 ( -59.403 0.000 -2.330) 59.449 27.023 ( -1.298 0.000 0.023) 1.298 27.169 ( 1.105 0.000 5.084) 5.203 27.418 ( 1.323 0.000 -2.955) 3.238 28.433 ( 67.307 0.000 -6.046) 67.578 28.942 ( -0.871 0.000 1.683) 1.895 29.526 ( -0.293 0.000 0.481) 0.563 29.566 ( 1.573 0.000 -2.157) 2.669 29.703 ( 1.762 0.000 -3.017) 3.494 ======================= Grid point 50 (18/104) ======================= q-point: ( 0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.813 ( 10.022 0.000 25.789) 27.668 1.154 ( 19.911 0.000 28.583) 34.834 1.930 ( 23.309 0.000 51.476) 56.507 2.564 ( -14.062 0.000 -1.509) 14.143 2.710 ( -10.316 0.000 -3.744) 10.974 2.774 ( -12.042 0.000 6.609) 13.737 2.889 ( -4.248 0.000 3.934) 5.790 2.891 ( 2.193 0.000 5.778) 6.180 3.119 ( 7.409 0.000 4.960) 8.916 3.176 ( 3.796 0.000 -2.106) 4.341 3.276 ( 8.537 0.000 -1.814) 8.728 3.318 ( 5.272 0.000 2.520) 5.844 3.402 ( 4.668 0.000 -3.206) 5.663 3.501 ( -3.531 0.000 9.116) 9.776 3.916 ( 2.375 0.000 -11.496) 11.739 4.117 ( 4.818 0.000 4.407) 6.529 4.167 ( 1.542 0.000 -6.628) 6.805 4.347 ( -4.263 0.000 -7.482) 8.611 4.475 ( -9.959 0.000 -0.842) 9.994 4.544 ( 2.614 0.000 2.134) 3.374 4.727 ( -14.096 0.000 -6.955) 15.718 4.999 ( 5.635 0.000 11.775) 13.053 5.036 ( -6.756 0.000 -2.861) 7.337 5.189 ( 1.465 0.000 -4.379) 4.618 5.217 ( -5.600 0.000 -6.553) 8.620 5.389 ( -6.352 0.000 5.077) 8.131 5.515 ( -2.935 0.000 6.430) 7.069 5.785 ( -4.088 0.000 1.922) 4.517 5.871 ( 0.337 0.000 0.942) 1.000 6.124 ( -3.174 0.000 -2.226) 3.877 6.335 ( 3.469 0.000 -3.570) 4.978 6.459 ( -2.807 0.000 -2.807) 3.969 6.480 ( -1.651 0.000 -3.910) 4.244 6.783 ( -8.065 0.000 -0.364) 8.073 7.048 ( 4.491 0.000 4.600) 6.429 7.062 ( 16.719 0.000 7.949) 18.512 7.328 ( 14.689 0.000 -8.053) 16.752 7.458 ( 0.177 0.000 -2.289) 2.295 7.519 ( -0.343 0.000 -8.718) 8.725 7.680 ( 2.512 0.000 -8.135) 8.514 7.863 ( -7.052 0.000 -7.805) 10.519 7.920 ( 0.894 0.000 -1.367) 1.633 7.965 ( -1.300 0.000 2.019) 2.401 8.185 ( 5.552 0.000 -0.078) 5.552 8.417 ( -9.928 0.000 -3.221) 10.437 8.684 ( 2.294 0.000 4.201) 4.786 8.887 ( -9.667 0.000 -8.463) 12.849 9.096 ( 8.873 0.000 4.856) 10.115 9.739 ( -4.694 0.000 -0.798) 4.761 9.925 ( 0.249 0.000 2.464) 2.477 10.115 ( -0.250 0.000 1.983) 1.999 10.451 ( 8.746 0.000 -8.219) 12.002 10.540 ( -5.775 0.000 3.226) 6.614 10.862 ( -10.504 0.000 16.935) 19.928 10.944 ( -0.689 0.000 1.974) 2.091 10.957 ( -0.609 0.000 1.345) 1.476 11.192 ( 0.339 0.000 2.062) 2.090 11.455 ( 12.464 0.000 1.033) 12.507 11.763 ( 1.203 0.000 -0.595) 1.342 11.963 ( -0.741 0.000 -10.239) 10.266 12.440 ( 2.223 0.000 -7.065) 7.407 12.469 ( -4.302 0.000 3.354) 5.455 12.674 ( -6.336 0.000 -4.925) 8.025 12.881 ( -16.597 0.000 -6.349) 17.770 13.319 ( 11.676 0.000 -7.466) 13.859 13.555 ( -0.876 0.000 -2.557) 2.703 13.620 ( 7.700 0.000 4.757) 9.050 13.974 ( -3.300 0.000 5.947) 6.801 14.157 ( -4.962 0.000 -0.544) 4.992 14.309 ( -17.584 0.000 7.249) 19.019 14.434 ( 8.831 0.000 5.285) 10.292 14.900 ( -2.042 0.000 -8.162) 8.414 15.231 ( 2.739 0.000 4.889) 5.604 15.400 ( 1.308 0.000 -1.487) 1.981 15.583 ( 9.830 0.000 5.190) 11.116 15.645 ( 2.092 0.000 1.438) 2.538 15.968 ( -1.645 0.000 3.335) 3.718 16.250 ( 1.849 0.000 -3.765) 4.195 16.254 ( 8.668 0.000 -6.213) 10.665 16.358 ( -6.904 0.000 -0.505) 6.923 25.012 ( 1.436 0.000 0.183) 1.448 25.075 ( -1.720 0.000 0.395) 1.765 25.078 ( -1.216 0.000 7.347) 7.447 25.105 ( 2.619 0.000 0.144) 2.623 25.282 ( -14.006 0.000 5.401) 15.012 25.285 ( -2.249 0.000 1.793) 2.876 25.477 ( 0.177 0.000 4.853) 4.856 25.659 ( 2.417 0.000 2.991) 3.846 27.006 ( -0.457 0.000 -0.296) 0.544 27.204 ( -1.080 0.000 5.859) 5.958 27.446 ( 3.477 0.000 -3.204) 4.728 28.564 ( -12.288 0.000 -6.953) 14.119 28.954 ( 1.042 0.000 1.489) 1.817 29.509 ( -1.695 0.000 0.330) 1.727 29.629 ( 2.922 0.000 0.073) 2.923 30.015 ( 20.363 0.000 -18.147) 27.276 ======================= Grid point 51 (19/104) ======================= q-point: ( 0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.272 ( 25.123 0.000 12.859) 28.223 1.678 ( 20.974 0.000 20.837) 29.565 2.225 ( -21.643 0.000 -2.973) 21.846 2.298 ( -17.805 0.000 4.396) 18.340 2.605 ( -9.766 0.000 1.305) 9.853 2.639 ( 8.255 0.000 30.889) 31.973 2.759 ( -8.768 0.000 2.677) 9.168 2.970 ( 2.313 0.000 0.353) 2.340 3.234 ( 3.569 0.000 -2.420) 4.312 3.282 ( 2.454 0.000 -6.626) 7.066 3.374 ( 5.334 0.000 7.219) 8.976 3.438 ( 4.793 0.000 0.298) 4.802 3.495 ( -2.369 0.000 14.675) 14.865 3.496 ( 6.366 0.000 -2.106) 6.705 3.887 ( 0.838 0.000 -8.964) 9.003 4.132 ( -6.380 0.000 -6.199) 8.895 4.182 ( -6.339 0.000 -10.145) 11.963 4.239 ( -11.783 0.000 -3.512) 12.295 4.286 ( 8.952 0.000 6.141) 10.856 4.431 ( -5.610 0.000 -3.804) 6.778 4.577 ( 0.018 0.000 -1.490) 1.490 4.919 ( -3.471 0.000 -0.110) 3.472 5.137 ( 1.629 0.000 -1.816) 2.440 5.178 ( 0.937 0.000 1.133) 1.470 5.210 ( 2.554 0.000 4.231) 4.943 5.277 ( -6.645 0.000 1.024) 6.723 5.499 ( -2.170 0.000 7.832) 8.127 5.751 ( -0.032 0.000 3.588) 3.588 5.856 ( -1.720 0.000 1.067) 2.024 6.115 ( 1.833 0.000 1.352) 2.278 6.314 ( -1.626 0.000 -3.953) 4.274 6.397 ( -3.584 0.000 1.032) 3.730 6.473 ( 2.786 0.000 -7.618) 8.111 6.702 ( -1.993 0.000 1.014) 2.236 7.162 ( 4.471 0.000 2.567) 5.155 7.364 ( 7.613 0.000 1.933) 7.855 7.474 ( 6.695 0.000 -4.126) 7.865 7.488 ( 4.761 0.000 -1.237) 4.919 7.508 ( 2.974 0.000 -0.424) 3.004 7.691 ( 3.492 0.000 -8.734) 9.406 7.757 ( 2.363 0.000 -4.220) 4.837 7.934 ( 1.248 0.000 -0.910) 1.545 7.985 ( 0.709 0.000 4.210) 4.269 8.168 ( -12.233 0.000 -6.645) 13.922 8.262 ( 2.719 0.000 1.050) 2.915 8.698 ( -2.481 0.000 1.453) 2.876 8.704 ( -2.380 0.000 -16.970) 17.136 9.247 ( 3.470 0.000 1.347) 3.723 9.665 ( -2.395 0.000 1.668) 2.919 9.945 ( -0.327 0.000 3.452) 3.467 10.137 ( 1.186 0.000 2.149) 2.455 10.434 ( -6.305 0.000 1.761) 6.546 10.490 ( 1.851 0.000 -2.128) 2.820 10.768 ( -9.032 0.000 9.180) 12.878 10.949 ( -1.069 0.000 0.821) 1.348 10.997 ( 1.414 0.000 13.012) 13.088 11.143 ( -6.269 0.000 2.836) 6.881 11.572 ( 0.357 0.000 -1.638) 1.676 11.873 ( 10.737 0.000 -1.164) 10.800 11.886 ( 0.205 0.000 -9.840) 9.842 12.391 ( -3.745 0.000 -11.465) 12.061 12.517 ( -0.067 0.000 7.611) 7.612 12.569 ( -0.855 0.000 1.167) 1.447 12.622 ( -2.785 0.000 -9.873) 10.258 13.465 ( 8.429 0.000 -7.646) 11.380 13.587 ( 4.284 0.000 -0.463) 4.308 13.708 ( 0.174 0.000 3.349) 3.354 13.919 ( -4.776 0.000 0.400) 4.792 14.013 ( -9.138 0.000 0.188) 9.140 14.135 ( -6.537 0.000 7.301) 9.800 14.596 ( 4.466 0.000 2.741) 5.240 14.832 ( 0.111 0.000 -5.077) 5.079 15.304 ( 2.213 0.000 0.700) 2.322 15.428 ( 2.554 0.000 -1.155) 2.803 15.654 ( -0.761 0.000 -0.902) 1.180 15.766 ( 6.227 0.000 2.833) 6.841 15.920 ( -5.025 0.000 3.142) 5.927 16.187 ( -4.923 0.000 -5.977) 7.744 16.312 ( 1.579 0.000 3.123) 3.500 16.354 ( 5.269 0.000 -2.270) 5.737 25.035 ( 0.146 0.000 0.592) 0.610 25.072 ( 1.912 0.000 0.318) 1.938 25.075 ( -2.790 0.000 4.701) 5.466 25.162 ( -2.770 0.000 1.207) 3.022 25.197 ( 4.485 0.000 5.582) 7.160 25.238 ( -4.223 0.000 2.973) 5.165 25.514 ( 0.475 0.000 4.279) 4.305 25.720 ( 1.896 0.000 3.093) 3.628 27.002 ( 0.236 0.000 -0.386) 0.452 27.199 ( -2.858 0.000 4.748) 5.542 27.492 ( 3.677 0.000 -4.315) 5.669 28.297 ( -11.101 0.000 -8.324) 13.875 28.989 ( 1.489 0.000 1.666) 2.234 29.477 ( -1.755 0.000 0.319) 1.784 29.671 ( 1.537 0.000 -0.689) 1.684 30.156 ( 8.059 0.000 -12.653) 15.001 ======================= Grid point 52 (20/104) ======================= q-point: (-0.50 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.733 ( 0.315 0.000 -1.357) 1.393 1.755 ( -27.658 0.000 -3.079) 27.829 1.918 ( -2.978 0.000 5.037) 5.852 2.139 ( 17.701 0.000 14.561) 22.920 2.354 ( -23.082 0.000 7.384) 24.234 2.651 ( -3.637 0.000 0.638) 3.692 2.858 ( 0.256 0.000 16.908) 16.910 2.931 ( -4.475 0.000 -6.351) 7.769 3.163 ( -7.169 0.000 -11.050) 13.172 3.272 ( 2.452 0.000 -3.669) 4.413 3.399 ( -5.979 0.000 1.394) 6.139 3.479 ( -1.976 0.000 1.107) 2.265 3.559 ( 2.713 0.000 -0.047) 2.713 3.561 ( -7.543 0.000 10.495) 12.924 3.867 ( 3.531 0.000 -7.945) 8.694 4.025 ( 8.852 0.000 3.747) 9.612 4.026 ( -1.681 0.000 -10.746) 10.877 4.149 ( 1.282 0.000 -8.341) 8.439 4.479 ( 5.144 0.000 6.087) 7.970 4.512 ( 9.222 0.000 8.569) 12.588 4.523 ( -2.439 0.000 -4.278) 4.924 4.934 ( 3.344 0.000 3.817) 5.074 5.021 ( -7.205 0.000 -7.422) 10.344 5.193 ( -0.603 0.000 -0.832) 1.028 5.230 ( 3.148 0.000 4.909) 5.831 5.331 ( 1.722 0.000 9.174) 9.334 5.546 ( 0.950 0.000 10.210) 10.254 5.819 ( 2.458 0.000 6.797) 7.228 5.836 ( -1.541 0.000 2.282) 2.754 6.168 ( 1.603 0.000 2.067) 2.615 6.275 ( 0.236 0.000 -5.410) 5.415 6.354 ( -1.018 0.000 2.442) 2.645 6.457 ( 1.070 0.000 -8.737) 8.802 6.703 ( 1.278 0.000 2.191) 2.536 7.196 ( -1.996 0.000 0.385) 2.033 7.361 ( -9.676 0.000 -9.587) 13.621 7.473 ( 1.733 0.000 0.308) 1.760 7.534 ( -0.701 0.000 2.232) 2.340 7.580 ( 3.790 0.000 4.124) 5.601 7.717 ( 7.338 0.000 -11.834) 13.924 7.858 ( 1.028 0.000 -1.790) 2.064 7.948 ( -0.731 0.000 -1.278) 1.472 8.014 ( -1.233 0.000 6.560) 6.675 8.113 ( 13.516 0.000 4.209) 14.157 8.306 ( 1.177 0.000 2.207) 2.501 8.558 ( -1.673 0.000 -21.480) 21.545 8.635 ( -3.373 0.000 -2.281) 4.072 9.199 ( -5.868 0.000 -7.732) 9.706 9.696 ( 2.334 0.000 5.666) 6.128 9.937 ( -2.565 0.000 2.530) 3.603 10.151 ( -1.780 0.000 1.853) 2.569 10.394 ( 1.153 0.000 3.029) 3.241 10.559 ( 5.176 0.000 4.211) 6.672 10.646 ( -7.767 0.000 2.946) 8.307 10.938 ( 0.514 0.000 -1.298) 1.396 11.053 ( -4.166 0.000 1.241) 4.347 11.126 ( 1.835 0.000 18.570) 18.661 11.519 ( -2.254 0.000 -3.124) 3.852 11.859 ( 2.654 0.000 -9.188) 9.564 12.009 ( -0.890 0.000 0.344) 0.954 12.305 ( 6.931 0.000 -9.777) 11.985 12.341 ( -9.029 0.000 -11.925) 14.958 12.616 ( 2.753 0.000 4.786) 5.522 12.786 ( 9.965 0.000 9.596) 13.835 13.467 ( -4.018 0.000 -9.231) 10.068 13.646 ( 0.894 0.000 -0.307) 0.945 13.718 ( 2.255 0.000 -2.907) 3.679 13.828 ( -2.902 0.000 -3.547) 4.583 13.892 ( -1.818 0.000 -1.451) 2.326 14.157 ( 0.910 0.000 13.957) 13.986 14.593 ( -4.014 0.000 -2.366) 4.660 14.865 ( 4.270 0.000 -0.178) 4.274 15.304 ( -1.711 0.000 -2.023) 2.650 15.466 ( 1.846 0.000 -1.003) 2.101 15.617 ( -1.493 0.000 -3.820) 4.101 15.763 ( -6.278 0.000 -3.921) 7.402 15.846 ( -4.111 0.000 1.273) 4.303 16.136 ( 2.724 0.000 -3.016) 4.064 16.385 ( 2.946 0.000 6.162) 6.830 16.408 ( 1.143 0.000 -0.170) 1.156 25.039 ( -2.806 0.000 2.120) 3.516 25.046 ( 0.552 0.000 2.040) 2.114 25.120 ( 2.802 0.000 -0.835) 2.923 25.162 ( 0.598 0.000 2.121) 2.203 25.176 ( -4.429 0.000 3.271) 5.506 25.333 ( 5.414 0.000 10.473) 11.789 25.537 ( -0.995 0.000 4.781) 4.884 25.763 ( 0.095 0.000 6.721) 6.722 27.011 ( 0.961 0.000 0.104) 0.967 27.163 ( -3.301 0.000 2.643) 4.229 27.512 ( 1.341 0.000 -5.525) 5.685 28.072 ( -6.306 0.000 -15.600) 16.826 29.012 ( -0.445 0.000 1.927) 1.977 29.462 ( 0.045 0.000 0.524) 0.526 29.669 ( -0.828 0.000 -2.007) 2.171 30.206 ( 5.248 0.000 -10.026) 11.316 ======================= Grid point 53 (21/104) ======================= q-point: (-0.33 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.197 ( -33.405 0.000 -9.311) 34.679 1.208 ( -31.269 0.000 1.223) 31.293 1.862 ( -38.891 0.000 24.930) 46.196 2.323 ( 21.564 0.000 5.633) 22.288 2.486 ( 12.899 0.000 8.551) 15.475 2.650 ( 3.903 0.000 -1.718) 4.264 2.803 ( -3.855 0.000 -7.833) 8.730 2.939 ( -8.578 0.000 -11.451) 14.307 2.941 ( 0.160 0.000 12.428) 12.429 3.242 ( -2.594 0.000 -1.624) 3.061 3.341 ( -1.450 0.000 2.145) 2.589 3.345 ( -6.531 0.000 -7.415) 9.881 3.463 ( -5.440 0.000 3.013) 6.219 3.585 ( -1.903 0.000 1.457) 2.397 3.900 ( 4.782 0.000 -8.223) 9.512 4.017 ( 3.739 0.000 -4.039) 5.504 4.134 ( 3.408 0.000 -6.915) 7.710 4.328 ( 14.659 0.000 6.242) 15.933 4.421 ( -2.435 0.000 -6.054) 6.526 4.566 ( -0.477 0.000 3.451) 3.484 4.752 ( 9.569 0.000 6.673) 11.666 4.870 ( -5.689 0.000 -2.076) 6.056 5.033 ( 4.744 0.000 2.699) 5.458 5.192 ( 0.253 0.000 0.280) 0.377 5.369 ( 7.409 0.000 7.284) 10.390 5.403 ( 0.172 0.000 9.909) 9.911 5.618 ( -0.435 0.000 8.810) 8.820 5.814 ( -2.885 0.000 1.294) 3.162 5.866 ( -1.788 0.000 6.459) 6.702 6.177 ( -0.728 0.000 2.100) 2.222 6.244 ( 1.346 0.000 -9.287) 9.384 6.420 ( 5.868 0.000 0.864) 5.931 6.446 ( 1.851 0.000 0.311) 1.877 6.787 ( 6.140 0.000 3.789) 7.215 7.057 ( -14.260 0.000 -8.633) 16.670 7.115 ( -7.219 0.000 3.104) 7.858 7.463 ( -5.430 0.000 -4.963) 7.356 7.500 ( -0.517 0.000 0.430) 0.672 7.700 ( 4.466 0.000 6.057) 7.526 7.798 ( 6.309 0.000 -7.171) 9.552 7.847 ( 2.105 0.000 -5.251) 5.657 7.961 ( 2.682 0.000 -0.008) 2.682 8.021 ( -3.073 0.000 8.377) 8.923 8.225 ( -8.601 0.000 -13.674) 16.155 8.402 ( 10.932 0.000 6.729) 12.837 8.507 ( 7.198 0.000 -2.272) 7.548 8.570 ( -1.668 0.000 -4.005) 4.339 8.990 ( -9.306 0.000 -13.178) 16.133 9.772 ( 2.016 0.000 4.656) 5.073 9.901 ( -2.021 0.000 1.393) 2.455 10.119 ( -2.125 0.000 1.996) 2.916 10.471 ( 3.602 0.000 4.159) 5.501 10.494 ( -9.329 0.000 2.467) 9.650 10.733 ( 9.362 0.000 0.745) 9.392 10.957 ( 1.777 0.000 -1.069) 2.073 11.021 ( 1.119 0.000 -2.158) 2.431 11.230 ( -0.388 0.000 3.726) 3.746 11.556 ( 5.003 0.000 18.179) 18.854 11.860 ( 2.450 0.000 -8.296) 8.650 11.902 ( -6.809 0.000 -0.225) 6.813 12.101 ( -7.550 0.000 -16.070) 17.755 12.445 ( 8.440 0.000 -4.595) 9.609 12.705 ( 3.455 0.000 4.686) 5.823 12.998 ( 6.165 0.000 10.730) 12.375 13.251 ( -10.611 0.000 -13.438) 17.122 13.643 ( 0.367 0.000 3.227) 3.248 13.723 ( 1.482 0.000 -10.713) 10.815 13.821 ( 2.844 0.000 2.618) 3.866 13.928 ( 6.391 0.000 -6.494) 9.111 14.303 ( 4.226 0.000 20.282) 20.718 14.456 ( -8.206 0.000 -4.446) 9.333 14.952 ( 5.004 0.000 0.276) 5.012 15.233 ( -4.398 0.000 -0.904) 4.490 15.453 ( -1.884 0.000 -5.436) 5.753 15.570 ( -1.666 0.000 -2.415) 2.934 15.578 ( -9.523 0.000 -4.967) 10.740 15.807 ( 0.274 0.000 -1.258) 1.288 16.185 ( 3.656 0.000 -3.285) 4.915 16.383 ( -3.893 0.000 -1.071) 4.038 16.469 ( 1.498 0.000 6.912) 7.073 25.009 ( -1.536 0.000 1.392) 2.073 25.070 ( -0.761 0.000 2.484) 2.598 25.111 ( -2.324 0.000 2.898) 3.715 25.174 ( 2.804 0.000 -1.639) 3.248 25.188 ( 0.284 0.000 2.616) 2.631 25.496 ( 5.253 0.000 5.959) 7.944 25.533 ( -2.831 0.000 5.660) 6.329 25.876 ( 5.819 0.000 28.767) 29.349 27.039 ( 1.255 0.000 1.771) 2.171 27.119 ( -2.305 0.000 0.536) 2.367 27.475 ( -1.205 0.000 -6.169) 6.286 27.843 ( -6.811 0.000 -29.694) 30.465 28.996 ( -2.395 0.000 2.104) 3.188 29.483 ( 1.549 0.000 0.680) 1.692 29.627 ( -1.976 0.000 -2.176) 2.939 30.215 ( 2.460 0.000 -13.581) 13.802 ======================= Grid point 54 (22/104) ======================= q-point: (-0.17 0.00 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( -20.867 0.000 19.560) 28.601 0.719 ( -25.227 0.000 17.968) 30.972 1.339 ( -38.761 0.000 43.621) 58.354 2.661 ( 11.456 0.000 1.084) 11.507 2.674 ( 3.098 0.000 1.586) 3.480 2.736 ( 2.214 0.000 -2.796) 3.566 2.747 ( 4.134 0.000 0.844) 4.220 2.832 ( 8.533 0.000 -7.443) 11.322 3.007 ( -0.371 0.000 9.534) 9.541 3.216 ( -2.933 0.000 -6.983) 7.574 3.216 ( -0.383 0.000 0.312) 0.494 3.295 ( -7.423 0.000 6.552) 9.901 3.451 ( 3.651 0.000 1.051) 3.799 3.511 ( -6.321 0.000 0.421) 6.335 3.942 ( 4.786 0.000 -6.608) 8.159 4.036 ( 0.315 0.000 -4.643) 4.653 4.161 ( 3.716 0.000 -6.294) 7.309 4.380 ( 1.233 0.000 -3.131) 3.365 4.542 ( -2.434 0.000 0.243) 2.446 4.569 ( 8.341 0.000 -0.077) 8.341 4.811 ( -1.889 0.000 5.573) 5.884 4.886 ( 2.682 0.000 2.736) 3.832 5.142 ( 4.952 0.000 1.503) 5.175 5.193 ( 0.086 0.000 -1.020) 1.023 5.456 ( -0.620 0.000 9.856) 9.876 5.495 ( 1.830 0.000 1.411) 2.311 5.597 ( -6.858 0.000 6.508) 9.454 5.727 ( -5.437 0.000 -1.836) 5.738 5.856 ( -3.361 0.000 7.529) 8.246 6.212 ( 3.165 0.000 1.398) 3.460 6.248 ( 5.214 0.000 -8.933) 10.343 6.510 ( 3.886 0.000 -3.065) 4.949 6.585 ( 10.973 0.000 13.848) 17.669 6.805 ( -8.086 0.000 -4.313) 9.164 6.923 ( 0.967 0.000 0.484) 1.081 6.997 ( -4.965 0.000 2.189) 5.426 7.292 ( -9.688 0.000 -10.808) 14.514 7.485 ( -0.391 0.000 -0.784) 0.876 7.708 ( -2.145 0.000 -7.231) 7.543 7.846 ( -0.013 0.000 -1.845) 1.845 7.880 ( 2.988 0.000 -4.041) 5.026 7.895 ( -6.044 0.000 -4.311) 7.424 8.057 ( 3.682 0.000 7.072) 7.974 8.077 ( -2.316 0.000 3.073) 3.848 8.524 ( -0.994 0.000 -2.731) 2.907 8.556 ( 3.046 0.000 4.537) 5.465 8.739 ( 16.821 0.000 10.450) 19.802 8.773 ( -3.311 0.000 -9.337) 9.907 9.808 ( -0.488 0.000 1.704) 1.773 9.893 ( 0.237 0.000 0.741) 0.778 10.109 ( -0.561 0.000 2.417) 2.481 10.307 ( -12.903 0.000 -0.677) 12.920 10.547 ( 1.733 0.000 4.439) 4.765 10.876 ( 5.874 0.000 0.090) 5.875 10.967 ( -0.425 0.000 0.766) 0.876 11.065 ( 5.315 0.000 -4.888) 7.220 11.158 ( -3.399 0.000 -11.502) 11.994 11.560 ( -17.902 0.000 -12.273) 21.705 11.814 ( -3.635 0.000 2.704) 4.530 11.980 ( 5.168 0.000 -10.524) 11.724 12.139 ( 28.734 0.000 34.377) 44.805 12.501 ( 1.315 0.000 -5.338) 5.497 12.773 ( 1.363 0.000 2.347) 2.714 12.964 ( -10.961 0.000 -9.246) 14.340 13.153 ( 4.585 0.000 7.972) 9.196 13.634 ( -4.003 0.000 -15.587) 16.093 13.709 ( 2.010 0.000 3.409) 3.957 13.913 ( 2.331 0.000 7.881) 8.219 13.998 ( 6.692 0.000 -9.796) 11.864 14.306 ( -3.881 0.000 -1.235) 4.073 14.625 ( 20.098 0.000 29.467) 35.668 15.011 ( 0.984 0.000 -4.282) 4.394 15.191 ( 0.279 0.000 5.154) 5.161 15.308 ( -9.658 0.000 -17.257) 19.775 15.396 ( -7.347 0.000 -2.152) 7.656 15.513 ( -4.444 0.000 1.962) 4.858 15.838 ( 3.772 0.000 -2.438) 4.491 16.220 ( 2.591 0.000 -3.908) 4.689 16.242 ( -10.529 0.000 -1.666) 10.660 16.505 ( -1.597 0.000 4.862) 5.118 25.001 ( -0.329 0.000 1.956) 1.983 25.031 ( -3.092 0.000 1.748) 3.552 25.120 ( -0.223 0.000 1.593) 1.608 25.188 ( -1.814 0.000 1.060) 2.102 25.224 ( 3.666 0.000 -1.085) 3.823 25.504 ( -4.111 0.000 6.203) 7.442 25.556 ( 1.442 0.000 -1.095) 1.811 26.575 ( 47.559 0.000 58.141) 75.115 27.049 ( -1.661 0.000 1.342) 2.135 27.117 ( 1.672 0.000 2.125) 2.704 27.274 ( -27.658 0.000 -42.116) 50.386 27.449 ( -4.693 0.000 -6.131) 7.721 28.962 ( -2.398 0.000 2.034) 3.144 29.514 ( 1.177 0.000 0.630) 1.335 29.588 ( -0.986 0.000 -1.283) 1.617 30.054 ( -11.409 0.000 -23.158) 25.816 ======================= Grid point 55 (23/104) ======================= q-point: ( 0.00 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.616 ( 2.870 6.821 23.142) 24.296 0.929 ( -10.762 20.928 23.838) 33.497 1.675 ( 5.170 29.287 50.899) 58.951 2.642 ( -5.232 -5.777 1.246) 7.893 2.695 ( -1.370 -0.571 -3.362) 3.675 2.813 ( 6.927 -2.977 -1.602) 7.708 2.951 ( 9.141 9.402 4.160) 13.758 2.971 ( -6.704 -4.501 3.940) 8.985 3.046 ( 8.771 -0.051 -1.919) 8.978 3.122 ( 0.252 -2.013 -2.035) 2.873 3.178 ( -4.787 3.758 0.487) 6.106 3.260 ( -1.141 0.771 -0.239) 1.397 3.362 ( -0.670 -0.538 -2.889) 3.014 3.491 ( -1.072 2.061 8.786) 9.088 3.759 ( 2.630 -11.511 -7.496) 13.986 3.922 ( 0.402 -10.123 0.101) 10.132 4.379 ( 1.633 9.346 -8.199) 12.539 4.471 ( -3.205 3.258 -5.253) 6.963 4.551 ( 0.116 6.795 -0.462) 6.812 4.788 ( 3.674 -0.283 -1.013) 3.822 4.869 ( -4.132 6.901 -1.738) 8.230 4.949 ( -0.016 3.617 7.157) 8.019 5.094 ( 4.256 0.899 -5.933) 7.356 5.284 ( -6.838 -3.002 3.585) 8.285 5.367 ( -4.064 3.787 -3.838) 6.752 5.467 ( -5.469 -1.017 -0.544) 5.589 5.570 ( -0.553 1.356 5.223) 5.425 5.699 ( -2.296 -5.181 2.756) 6.302 5.795 ( -1.029 -1.158 2.757) 3.162 6.077 ( -4.138 -5.762 -1.785) 7.315 6.309 ( 6.381 -2.066 -1.393) 6.850 6.454 ( 1.799 -5.536 -3.421) 6.751 6.674 ( -5.465 -1.553 2.328) 6.139 6.733 ( -2.844 -0.429 -6.997) 7.565 6.988 ( 0.645 3.801 -3.849) 5.448 7.040 ( -7.929 1.611 1.617) 8.251 7.149 ( 13.769 7.377 -4.297) 16.201 7.445 ( 2.090 -5.053 -0.116) 5.470 7.524 ( -1.031 0.629 -4.837) 4.986 7.783 ( 0.667 -8.526 0.136) 8.553 7.854 ( -2.981 2.706 -6.997) 8.073 7.959 ( 6.533 1.440 1.356) 6.826 8.113 ( -2.443 4.048 4.621) 6.612 8.177 ( -4.579 6.194 -3.820) 8.598 8.514 ( 0.864 -10.210 8.485) 13.304 8.589 ( 1.447 -4.872 8.087) 9.551 8.659 ( 0.634 -1.872 7.856) 8.101 8.872 ( 10.991 0.366 4.320) 11.815 9.790 ( -2.220 0.797 0.036) 2.359 9.964 ( -0.743 1.442 -2.136) 2.682 10.167 ( -5.612 2.054 4.017) 7.201 10.524 ( 3.682 -2.094 -0.884) 4.327 10.561 ( 7.007 13.865 -15.129) 21.685 10.939 ( 0.738 -1.554 -1.028) 2.004 10.970 ( -2.384 -0.510 2.092) 3.213 11.070 ( 2.573 5.887 -2.721) 6.977 11.158 ( 3.324 0.847 -5.349) 6.354 11.337 ( -6.561 7.554 2.261) 10.258 11.697 ( -1.695 -6.297 -0.862) 6.578 12.074 ( 2.363 4.704 -5.312) 7.478 12.277 ( -1.307 -11.957 -6.524) 13.683 12.571 ( 0.614 -7.192 -7.872) 10.680 12.750 ( -3.084 -2.909 -1.949) 4.666 12.963 ( 11.916 -7.512 6.209) 15.395 13.272 ( -6.754 -3.478 -11.774) 14.012 13.381 ( 5.097 1.449 9.260) 10.669 13.615 ( -12.083 -2.529 0.476) 12.354 13.937 ( -0.955 0.311 8.077) 8.140 14.066 ( -6.043 -8.799 8.265) 13.500 14.173 ( 4.974 -2.092 0.518) 5.421 14.456 ( 1.381 -2.669 10.432) 10.857 14.936 ( 11.713 -10.612 6.743) 17.183 15.097 ( -2.443 0.627 -0.016) 2.522 15.458 ( 1.834 0.866 2.738) 3.407 15.542 ( -7.896 14.124 -2.740) 16.412 15.802 ( 3.164 8.668 -7.510) 11.897 15.930 ( 4.766 2.580 -3.078) 6.233 16.149 ( 5.074 1.988 0.674) 5.491 16.243 ( 1.383 0.263 -2.404) 2.786 16.445 ( -5.507 -2.216 1.584) 6.143 25.000 ( -0.335 0.604 0.444) 0.821 25.057 ( 0.664 1.924 1.806) 2.721 25.094 ( -1.363 -0.375 0.385) 1.465 25.175 ( -3.339 2.904 0.605) 4.466 25.268 ( 2.302 -1.132 0.372) 2.592 25.439 ( -5.697 -3.141 7.410) 9.860 25.543 ( -8.774 -5.152 3.618) 10.799 25.618 ( -11.397 -8.739 9.466) 17.201 27.095 ( -3.532 3.160 -2.496) 5.356 27.163 ( 0.257 1.255 2.772) 3.054 27.380 ( 0.658 -3.585 -2.440) 4.386 27.805 ( 21.820 -17.064 14.257) 31.154 29.352 ( -3.510 -3.256 -11.064) 12.056 29.363 ( 2.825 -9.413 -1.379) 9.924 29.881 ( 9.346 13.042 -3.676) 16.461 29.940 ( 1.917 24.546 -15.640) 29.168 ======================= Grid point 56 (24/104) ======================= q-point: ( 0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.845 ( 5.104 -1.738 29.875) 30.357 1.132 ( 18.797 9.497 20.483) 29.378 2.232 ( 19.394 21.337 39.917) 49.242 2.428 ( -16.655 -9.230 -1.429) 19.096 2.687 ( -0.919 -6.961 1.432) 7.166 2.768 ( -16.138 1.187 5.756) 17.175 2.855 ( -1.344 4.488 -1.202) 4.836 3.002 ( -5.769 -1.998 2.440) 6.575 3.110 ( 6.236 -2.431 -2.890) 7.290 3.220 ( 8.336 7.931 4.144) 12.230 3.263 ( 6.474 -0.097 0.059) 6.475 3.295 ( 2.953 -0.483 1.165) 3.211 3.363 ( 5.036 -2.841 -3.832) 6.936 3.498 ( -3.554 1.348 5.978) 7.084 3.781 ( 2.903 -8.548 -4.880) 10.262 3.936 ( 2.701 -11.469 -1.750) 11.911 4.302 ( -8.040 2.106 -3.485) 9.012 4.364 ( 1.014 3.883 -5.931) 7.161 4.576 ( -2.611 8.801 3.348) 9.771 4.674 ( -12.860 -3.725 -6.773) 15.004 4.742 ( -4.770 12.554 -6.024) 14.719 5.003 ( 0.003 -0.081 8.059) 8.059 5.111 ( -1.043 7.214 1.047) 7.363 5.212 ( -0.997 -1.523 0.712) 1.955 5.293 ( -0.071 8.481 -5.869) 10.315 5.418 ( -1.616 -3.729 1.990) 4.526 5.507 ( -6.293 6.265 4.306) 9.869 5.666 ( -1.908 -8.466 1.535) 8.813 5.798 ( -1.148 -5.764 1.632) 6.100 6.051 ( -0.598 -3.043 1.676) 3.525 6.352 ( 0.690 -3.488 -4.702) 5.895 6.491 ( 3.126 2.910 -2.094) 4.757 6.537 ( -3.908 3.316 -4.232) 6.647 6.762 ( -3.399 -3.668 -0.055) 5.001 6.905 ( 6.280 -4.071 -1.581) 7.649 7.106 ( 8.459 0.203 5.553) 10.121 7.344 ( 7.631 1.440 -5.771) 9.675 7.478 ( 2.167 -1.073 -3.577) 4.318 7.530 ( 2.855 5.214 2.370) 6.400 7.761 ( -2.997 -2.698 -4.727) 6.213 7.785 ( 2.360 -1.732 -5.456) 6.192 7.903 ( -5.602 6.326 -7.263) 11.143 8.112 ( -1.052 8.266 0.654) 8.359 8.185 ( 5.008 0.189 2.626) 5.658 8.466 ( -7.487 4.013 -5.326) 10.026 8.608 ( -0.482 -7.821 2.195) 8.138 8.745 ( 0.644 -8.761 7.956) 11.852 9.086 ( 7.444 -1.601 3.172) 8.249 9.741 ( -3.041 1.023 -0.504) 3.248 9.952 ( 0.956 2.403 -0.752) 2.694 10.090 ( -2.965 0.625 1.285) 3.291 10.474 ( -4.878 -3.748 1.738) 6.392 10.572 ( 0.614 6.514 -9.836) 11.814 10.888 ( -8.627 0.329 8.343) 12.006 10.946 ( -0.403 -0.577 0.233) 0.742 11.103 ( 1.646 11.284 4.180) 12.146 11.193 ( -1.226 0.634 2.547) 2.897 11.463 ( 11.785 1.014 2.127) 12.018 11.651 ( 0.799 -8.337 -7.167) 11.023 12.050 ( -1.212 4.911 -4.367) 6.683 12.214 ( -0.118 -11.552 -3.912) 12.197 12.512 ( 0.163 -9.151 -4.474) 10.188 12.633 ( -6.978 -1.056 -5.179) 8.753 12.860 ( -14.152 -4.306 -9.390) 17.522 13.282 ( 8.073 -3.420 2.462) 9.107 13.474 ( -0.242 -3.889 -2.392) 4.572 13.586 ( 5.063 -1.309 7.180) 8.882 13.962 ( -2.524 -2.822 8.084) 8.926 13.987 ( -5.551 -4.984 6.650) 9.993 14.235 ( -2.752 3.558 0.401) 4.516 14.555 ( 8.209 1.106 3.214) 8.885 15.057 ( 2.393 2.837 -7.185) 8.086 15.163 ( -1.828 -5.178 5.733) 7.939 15.353 ( -0.947 0.847 2.579) 2.875 15.533 ( 2.179 4.812 1.497) 5.491 15.804 ( -0.272 3.257 0.107) 3.270 16.026 ( 4.282 4.973 0.586) 6.588 16.211 ( 1.746 -2.678 -2.065) 3.806 16.259 ( 1.871 0.872 -2.934) 3.587 16.400 ( 0.414 2.668 -2.822) 3.905 25.010 ( 1.238 0.350 0.117) 1.292 25.063 ( -1.311 0.062 1.549) 2.031 25.108 ( 1.889 0.269 0.408) 1.951 25.138 ( -0.967 3.740 3.997) 5.559 25.282 ( -2.293 -0.123 2.280) 3.235 25.296 ( -8.673 1.114 4.155) 9.681 25.465 ( -0.876 -1.018 5.414) 5.578 25.638 ( 2.364 -2.014 2.341) 3.889 27.040 ( -1.209 2.927 -1.307) 3.427 27.190 ( -1.034 -1.019 5.142) 5.343 27.394 ( 2.383 -4.758 -2.642) 5.941 28.115 ( 6.322 -24.010 4.336) 25.204 29.106 ( -10.879 2.171 -5.742) 12.492 29.381 ( -0.629 -9.768 -1.256) 9.868 29.856 ( 0.792 16.831 -1.331) 16.902 30.145 ( 13.557 9.596 -13.846) 21.624 ======================= Grid point 57 (25/104) ======================= q-point: ( 0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 20.392 -6.294 18.013) 27.927 1.627 ( 20.736 0.531 16.763) 26.670 2.048 ( -23.349 -12.745 -1.265) 26.631 2.385 ( -19.246 7.281 0.333) 20.580 2.578 ( -5.828 -11.084 3.093) 12.900 2.774 ( -6.058 9.459 1.650) 11.353 2.844 ( 7.639 16.516 21.284) 28.002 3.007 ( 4.355 -2.589 1.582) 5.308 3.195 ( 4.305 -1.515 -1.309) 4.748 3.229 ( -4.343 -8.897 -7.053) 12.156 3.366 ( 5.489 4.636 2.791) 7.708 3.388 ( 2.491 -1.974 1.000) 3.332 3.454 ( -0.170 -3.334 11.421) 11.899 3.536 ( 8.464 1.542 1.072) 8.670 3.779 ( 1.509 -7.849 -6.529) 10.321 3.929 ( -2.124 -10.901 -9.606) 14.684 4.221 ( -15.604 1.029 -1.428) 15.703 4.266 ( -4.211 1.306 4.003) 5.955 4.372 ( 1.151 -0.312 0.756) 1.412 4.540 ( -3.178 12.632 -6.645) 14.623 4.680 ( -1.038 10.754 -1.583) 10.919 5.023 ( -1.199 5.948 2.175) 6.446 5.121 ( 0.351 -1.716 1.721) 2.456 5.187 ( -3.008 -2.224 -0.909) 3.850 5.259 ( -0.478 6.814 -1.076) 6.915 5.418 ( 1.390 9.556 -0.171) 9.658 5.484 ( -0.386 3.510 9.064) 9.727 5.668 ( 0.470 -6.352 3.974) 7.507 5.776 ( -2.483 -7.220 2.357) 7.991 6.067 ( 1.877 -2.658 2.547) 4.132 6.317 ( -3.627 -1.464 0.229) 3.918 6.450 ( 0.187 4.671 -7.160) 8.551 6.536 ( 1.677 3.760 -3.867) 5.648 6.677 ( -2.338 -1.106 -0.966) 2.761 7.069 ( 6.573 -8.052 1.524) 10.505 7.315 ( 9.846 -8.231 -3.762) 13.373 7.432 ( 5.356 4.317 -0.592) 6.904 7.528 ( 5.263 0.590 2.885) 6.030 7.569 ( 0.463 3.232 1.507) 3.596 7.667 ( -3.275 -4.078 -6.854) 8.622 7.788 ( 1.396 7.041 -8.591) 11.195 7.869 ( 4.826 -2.310 2.126) 5.758 8.100 ( -1.940 6.833 2.030) 7.388 8.209 ( -8.503 3.594 -4.041) 10.077 8.301 ( 0.444 3.654 -1.852) 4.120 8.587 ( -1.242 -6.134 -4.208) 7.541 8.751 ( -1.591 -1.269 -2.992) 3.619 9.180 ( 2.013 -5.960 -0.247) 6.296 9.692 ( -1.616 2.886 1.749) 3.742 9.982 ( 1.829 3.572 0.576) 4.054 10.091 ( 0.985 -1.785 2.080) 2.913 10.389 ( -5.022 -2.987 2.501) 6.356 10.536 ( 0.078 3.137 -0.486) 3.175 10.771 ( -9.276 0.052 7.069) 11.663 10.929 ( -1.251 -1.235 -0.406) 1.804 11.123 ( -6.573 -0.183 4.051) 7.723 11.178 ( 1.260 11.675 8.424) 14.452 11.579 ( -0.445 0.469 -1.458) 1.595 11.695 ( 9.066 -9.083 -9.247) 15.818 12.030 ( 1.474 5.160 -1.695) 5.628 12.244 ( 4.389 -11.480 -1.940) 12.442 12.443 ( -5.291 -7.132 -4.889) 10.138 12.551 ( -8.388 -0.585 -0.978) 8.465 12.628 ( 5.446 -6.507 -8.925) 12.315 13.406 ( 2.908 -6.290 2.031) 7.221 13.504 ( 3.924 -1.958 -1.879) 4.771 13.640 ( -2.064 -4.372 3.291) 5.849 13.955 ( -2.119 4.084 0.900) 4.688 13.960 ( -1.491 -3.577 9.750) 10.492 14.122 ( -7.165 5.158 -1.349) 8.931 14.743 ( 9.135 0.878 1.734) 9.339 14.956 ( -7.048 12.869 -6.796) 16.170 15.153 ( 2.739 -8.164 -1.345) 8.716 15.437 ( 1.416 -9.086 5.350) 10.638 15.560 ( 0.851 4.511 -1.184) 4.741 15.773 ( -3.328 -0.757 1.367) 3.676 16.102 ( 4.427 7.077 -0.674) 8.375 16.199 ( -2.675 1.390 -3.964) 4.980 16.290 ( 3.568 2.113 0.780) 4.219 16.407 ( 1.779 3.601 -1.000) 4.139 25.035 ( 0.475 0.395 0.814) 1.022 25.055 ( 0.086 -0.028 1.362) 1.365 25.116 ( -0.573 1.737 2.193) 2.855 25.199 ( -0.707 2.277 5.138) 5.664 25.205 ( 0.440 1.979 1.458) 2.497 25.249 ( -2.628 1.188 2.113) 3.575 25.498 ( 0.238 -1.403 5.786) 5.959 25.690 ( 1.599 -2.840 2.129) 3.893 27.026 ( 0.193 2.212 -0.727) 2.336 27.180 ( -2.862 -1.704 3.737) 5.006 27.427 ( 2.687 -5.691 -2.582) 6.803 28.130 ( -3.088 -14.270 -5.156) 15.484 28.966 ( -2.873 -1.340 -0.451) 3.202 29.354 ( -1.298 -9.876 -0.522) 9.975 29.871 ( 1.214 15.923 -2.049) 16.100 30.240 ( 6.058 6.529 -9.893) 13.311 ======================= Grid point 58 (26/104) ======================= q-point: (-0.50 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.473 ( -25.660 -16.830 -1.117) 30.707 1.754 ( 13.427 -8.795 8.484) 18.156 1.936 ( -18.384 4.449 5.385) 19.666 2.135 ( 14.672 4.270 7.326) 16.946 2.504 ( -2.375 -8.434 -0.108) 8.763 2.632 ( -12.800 17.762 3.717) 22.207 2.954 ( -5.869 0.264 -1.916) 6.179 2.983 ( -2.668 8.333 5.416) 10.290 3.182 ( 3.249 -8.129 -4.387) 9.792 3.223 ( -1.212 4.563 -4.312) 6.394 3.339 ( -4.821 -4.619 1.863) 6.932 3.431 ( -1.424 -1.206 1.230) 2.234 3.513 ( -6.568 -4.763 0.413) 8.124 3.613 ( -0.906 4.626 6.346) 7.905 3.789 ( 2.804 -6.641 -6.641) 9.801 3.842 ( 0.336 -9.123 -10.653) 14.029 4.056 ( 8.902 2.802 5.921) 11.052 4.332 ( 0.121 3.817 5.982) 7.097 4.457 ( 6.666 -2.238 3.760) 7.974 4.503 ( 0.998 6.206 -0.106) 6.287 4.642 ( -0.220 10.679 -2.903) 11.068 4.961 ( -5.352 1.644 -3.317) 6.507 5.101 ( 0.243 5.697 -1.767) 5.969 5.176 ( 1.454 -2.771 1.756) 3.588 5.295 ( 1.989 4.535 4.285) 6.549 5.457 ( 2.008 9.683 3.820) 10.601 5.562 ( 1.290 6.280 10.125) 11.984 5.719 ( 1.278 -7.696 5.456) 9.520 5.742 ( -2.644 -9.150 3.109) 10.019 6.125 ( 0.488 -3.967 1.851) 4.405 6.269 ( 0.970 2.057 2.569) 3.431 6.444 ( 2.092 2.616 -5.135) 6.131 6.509 ( -1.131 6.041 -6.784) 9.154 6.676 ( 2.317 -2.036 0.645) 3.151 7.105 ( -2.996 -6.974 -0.320) 7.597 7.403 ( -4.038 -2.352 -5.023) 6.861 7.480 ( 1.951 -1.442 -0.633) 2.507 7.501 ( -1.066 2.412 -1.918) 3.261 7.580 ( 1.660 -1.334 0.469) 2.180 7.670 ( 2.548 -3.761 -7.359) 8.649 7.819 ( -0.781 -1.325 0.634) 1.663 7.961 ( 4.713 2.439 1.500) 5.515 8.078 ( 2.056 4.274 3.301) 5.778 8.130 ( 3.623 4.652 -1.347) 6.049 8.324 ( 0.860 1.011 -1.237) 1.815 8.531 ( -0.352 -2.141 -6.998) 7.327 8.665 ( -4.264 0.831 -4.653) 6.365 9.143 ( -3.864 -5.685 -6.561) 9.503 9.719 ( 1.811 2.620 5.041) 5.963 9.999 ( -0.783 5.464 0.089) 5.520 10.108 ( -0.255 -1.543 1.031) 1.873 10.360 ( -0.334 -2.746 4.430) 5.222 10.598 ( 5.724 2.206 3.951) 7.297 10.643 ( -8.115 -0.018 4.179) 9.128 10.915 ( 1.233 -1.320 -2.675) 3.227 11.030 ( -4.472 -1.805 1.706) 5.115 11.270 ( 1.524 10.482 12.467) 16.359 11.514 ( -2.786 -0.308 -3.381) 4.391 11.784 ( 5.682 -6.529 -9.590) 12.918 12.037 ( -2.807 1.433 1.195) 3.370 12.284 ( 3.726 -4.336 -5.059) 7.634 12.332 ( -6.324 -1.906 -10.787) 12.649 12.462 ( 5.890 -7.752 3.457) 10.332 12.808 ( 10.765 -6.581 4.194) 13.296 13.364 ( -7.147 -7.313 -2.347) 10.492 13.562 ( 2.737 -1.744 0.227) 3.254 13.613 ( -1.414 -6.021 -0.674) 6.221 13.911 ( -1.515 7.742 -2.078) 8.158 14.016 ( 0.005 4.629 -0.591) 4.666 14.024 ( -1.696 -2.817 9.431) 9.988 14.761 ( -7.099 2.271 -7.201) 10.364 14.914 ( 5.590 5.867 1.114) 8.180 15.186 ( 1.880 -4.321 -3.004) 5.588 15.422 ( -5.086 -9.937 2.141) 11.367 15.567 ( 1.290 3.817 -1.720) 4.381 15.722 ( -2.570 1.250 0.693) 2.941 16.084 ( -4.772 5.256 -6.080) 9.347 16.170 ( 3.277 6.580 -3.301) 8.059 16.368 ( 1.659 1.236 3.735) 4.270 16.451 ( 2.770 3.000 2.743) 4.919 25.045 ( 0.139 0.532 2.087) 2.158 25.056 ( -1.642 1.119 2.014) 2.829 25.133 ( 1.881 0.810 -0.286) 2.068 25.182 ( -3.938 1.318 2.901) 5.066 25.196 ( 0.208 2.757 1.428) 3.112 25.322 ( 4.373 -0.990 7.563) 8.793 25.531 ( -0.916 -0.655 7.133) 7.221 25.716 ( -0.658 -4.251 4.299) 6.081 27.038 ( 1.459 2.465 0.075) 2.866 27.140 ( -3.016 -1.979 1.589) 3.941 27.448 ( 0.986 -5.360 -2.490) 5.992 27.988 ( -5.721 -8.243 -13.506) 16.825 28.963 ( 1.187 -3.094 1.954) 3.846 29.341 ( 0.372 -9.931 -0.189) 9.939 29.859 ( -0.776 15.442 -3.577) 15.869 30.276 ( 4.067 5.582 -8.151) 10.683 ======================= Grid point 59 (27/104) ======================= q-point: (-0.33 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.939 ( -30.369 -13.513 9.419) 34.549 1.394 ( -27.794 14.764 -3.288) 31.643 2.199 ( -22.888 16.226 14.946) 31.789 2.220 ( 11.927 -5.113 5.313) 14.022 2.494 ( 9.652 3.966 7.913) 13.096 2.559 ( 7.173 -3.113 0.213) 7.822 2.818 ( -1.597 -1.794 -6.309) 6.751 3.020 ( -0.725 5.216 3.617) 6.389 3.098 ( -8.311 13.375 -5.612) 16.717 3.199 ( 1.454 -2.994 -0.813) 3.426 3.269 ( -5.749 -3.801 -1.112) 6.981 3.302 ( -0.447 -4.065 -5.034) 6.486 3.475 ( -4.707 -1.477 1.424) 5.135 3.567 ( -3.244 0.503 2.731) 4.271 3.790 ( 1.485 -9.427 -7.439) 12.100 3.854 ( 4.450 -7.442 -5.343) 10.185 4.314 ( 10.617 0.795 6.027) 12.234 4.358 ( 1.443 8.942 -2.442) 9.382 4.477 ( 1.259 4.870 1.721) 5.316 4.630 ( 2.769 6.360 -1.677) 7.137 4.718 ( 9.806 -3.317 4.978) 11.487 4.875 ( -1.498 2.145 0.023) 2.616 5.090 ( -1.309 3.867 -0.316) 4.095 5.238 ( 3.308 0.933 3.291) 4.759 5.363 ( 2.521 3.107 4.461) 5.993 5.542 ( 3.229 3.565 6.124) 7.787 5.607 ( -2.317 6.961 7.439) 10.448 5.700 ( -3.176 -9.727 2.137) 10.453 5.775 ( 0.419 -7.955 4.723) 9.261 6.125 ( 0.415 -1.533 4.371) 4.650 6.360 ( 3.715 1.323 -6.435) 7.547 6.425 ( -2.348 4.633 -4.613) 6.947 6.468 ( 3.963 1.681 2.131) 4.803 6.775 ( 6.994 -1.089 4.020) 8.141 6.981 ( -8.120 -4.521 -3.391) 9.893 7.170 ( -12.622 2.160 -1.251) 12.867 7.465 ( -2.755 -1.116 -2.116) 3.648 7.488 ( -3.430 -0.777 -7.385) 8.180 7.643 ( 2.122 -4.408 3.094) 5.789 7.688 ( 3.947 -7.176 -3.042) 8.736 7.767 ( -0.605 -6.731 -3.779) 7.743 8.050 ( 3.398 6.821 1.589) 7.784 8.146 ( 2.104 10.005 5.306) 11.519 8.218 ( -1.721 -3.831 -12.540) 13.224 8.265 ( 1.536 -2.090 3.511) 4.365 8.567 ( 4.664 2.206 4.587) 6.903 8.587 ( -2.345 1.187 -1.781) 3.175 8.981 ( -7.426 -1.547 -11.438) 13.724 9.787 ( 1.677 1.704 4.655) 5.233 9.966 ( -1.614 3.422 0.152) 3.787 10.131 ( 3.102 4.420 0.103) 5.401 10.372 ( -2.823 -5.772 3.929) 7.531 10.560 ( -1.881 1.610 1.345) 2.818 10.760 ( 8.691 1.596 2.326) 9.137 10.945 ( 3.491 -0.252 -3.315) 4.820 10.992 ( -0.322 -1.442 -0.196) 1.491 11.319 ( -1.374 5.421 -3.616) 6.659 11.541 ( 3.593 -1.057 17.134) 17.538 11.801 ( 3.069 -5.346 -7.384) 9.619 11.936 ( -7.059 2.193 -4.369) 8.586 12.154 ( -2.195 4.597 -10.432) 11.610 12.402 ( 6.459 -6.751 1.033) 9.400 12.612 ( 6.510 -5.139 3.260) 8.912 12.998 ( 6.158 -8.433 2.097) 10.651 13.183 ( -8.787 -1.160 -2.238) 9.142 13.563 ( -1.392 -6.562 -4.702) 8.191 13.622 ( 2.919 -3.179 3.039) 5.278 13.897 ( 0.916 6.532 -0.592) 6.623 14.019 ( 3.646 4.450 -5.809) 8.176 14.099 ( 0.010 -6.694 15.878) 17.232 14.554 ( -10.886 0.148 -7.389) 13.157 14.970 ( -0.067 -5.765 -4.558) 7.349 15.219 ( 4.547 5.655 0.596) 7.281 15.307 ( -7.852 -6.842 1.125) 10.476 15.580 ( -0.363 6.369 1.072) 6.469 15.702 ( 1.297 2.733 -1.892) 3.569 15.976 ( -2.518 8.881 -5.771) 10.887 16.195 ( 2.096 1.187 -4.261) 4.895 16.354 ( -4.740 -1.125 1.722) 5.167 16.526 ( 1.932 3.993 3.774) 5.824 25.029 ( -1.828 1.841 1.602) 3.049 25.073 ( 0.754 0.054 2.691) 2.795 25.117 ( -4.000 1.268 2.487) 4.878 25.171 ( 2.439 -0.317 -1.152) 2.716 25.220 ( 0.754 2.855 1.315) 3.232 25.441 ( 3.016 -3.930 5.964) 7.753 25.550 ( -1.450 0.168 6.580) 6.740 25.743 ( -1.845 -10.103 16.962) 19.829 27.084 ( 2.901 2.693 1.451) 4.216 27.101 ( -1.374 -0.030 1.266) 1.869 27.431 ( -1.031 -3.790 -2.544) 4.679 27.766 ( -8.055 -5.942 -20.614) 22.915 29.022 ( 4.739 0.530 1.051) 4.883 29.365 ( 2.094 -9.825 -0.052) 10.046 29.810 ( -1.670 15.305 -4.163) 15.949 30.278 ( 1.627 5.027 -10.779) 12.005 ======================= Grid point 60 (28/104) ======================= q-point: (-0.17 0.14 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.630 ( -15.027 1.804 22.132) 26.812 0.978 ( -14.524 26.593 11.102) 32.271 1.714 ( -33.147 27.453 32.613) 54.000 2.535 ( 12.641 -9.490 2.746) 16.044 2.682 ( 8.990 -1.970 2.580) 9.558 2.735 ( 5.178 0.963 2.855) 5.990 2.848 ( 8.987 1.933 -5.432) 10.678 2.862 ( -5.311 10.127 -8.499) 14.248 3.043 ( -2.967 -0.210 4.547) 5.433 3.177 ( -2.324 -1.579 -3.147) 4.218 3.235 ( -0.647 3.089 -1.527) 3.506 3.316 ( 1.649 0.368 4.194) 4.521 3.365 ( -5.352 -3.316 -0.534) 6.318 3.516 ( -4.841 1.420 2.780) 5.760 3.765 ( 1.977 -12.737 -8.835) 15.627 3.901 ( 2.225 -8.274 -0.688) 8.596 4.367 ( 2.922 9.013 -4.770) 10.608 4.488 ( 6.995 1.678 1.607) 7.371 4.530 ( -0.058 10.771 -4.614) 11.718 4.667 ( 6.360 -0.023 1.384) 6.509 4.877 ( 2.902 4.012 2.539) 5.564 4.905 ( 2.708 1.807 2.318) 3.997 5.067 ( 0.084 -1.242 -0.543) 1.358 5.308 ( 1.363 0.525 3.147) 3.470 5.432 ( 3.050 5.316 -1.150) 6.236 5.519 ( -6.555 -4.459 6.706) 10.384 5.608 ( -4.944 -3.119 0.350) 5.856 5.690 ( 0.984 2.181 5.024) 5.565 5.800 ( -0.556 -3.525 4.535) 5.771 6.175 ( -0.562 -2.919 0.992) 3.134 6.260 ( -1.986 0.492 -9.160) 9.385 6.429 ( 2.703 -4.990 -2.095) 6.049 6.630 ( 7.108 1.148 6.761) 9.877 6.855 ( 0.592 4.585 -3.513) 5.806 6.920 ( -3.038 -1.300 4.115) 5.278 7.009 ( 0.685 1.773 1.678) 2.535 7.295 ( -8.637 -1.052 -13.228) 15.833 7.428 ( -1.147 -4.614 -0.444) 4.776 7.608 ( -4.454 -5.575 -5.156) 8.803 7.718 ( 2.950 -8.199 2.245) 8.998 7.810 ( 3.635 -4.349 1.571) 5.882 7.987 ( -7.321 5.604 -4.663) 10.331 8.138 ( 0.351 3.898 0.188) 3.919 8.218 ( 1.582 7.125 2.137) 7.605 8.387 ( 2.174 -8.558 16.332) 18.566 8.546 ( -0.453 2.346 -2.235) 3.272 8.647 ( -0.195 2.030 4.807) 5.222 8.800 ( -2.784 1.715 -8.336) 8.954 9.813 ( -0.889 1.033 2.077) 2.484 9.969 ( 1.114 1.729 -0.210) 2.067 10.205 ( 0.089 5.158 5.478) 7.525 10.356 ( 6.854 2.397 -6.246) 9.578 10.567 ( 0.497 1.829 0.492) 1.958 10.898 ( 5.739 0.453 -1.621) 5.981 10.969 ( 0.309 0.363 0.320) 0.574 11.018 ( 4.196 -0.615 -4.221) 5.984 11.228 ( -3.172 3.161 -8.939) 9.998 11.594 ( -10.791 1.981 -7.644) 13.372 11.729 ( -4.243 -5.127 0.687) 6.690 11.987 ( 11.903 -2.118 2.592) 12.365 12.177 ( 9.715 4.291 1.752) 10.764 12.499 ( 4.337 -3.679 -0.098) 5.688 12.705 ( 2.847 -4.928 3.257) 6.558 12.929 ( -6.758 -5.027 -5.940) 10.307 13.190 ( 4.437 3.074 6.773) 8.662 13.492 ( -3.019 -8.984 -9.844) 13.665 13.710 ( 1.944 -2.233 6.172) 6.845 13.918 ( -0.749 1.889 5.150) 5.536 14.051 ( 4.842 3.539 -10.034) 11.690 14.253 ( 1.659 -11.467 25.760) 28.246 14.296 ( -10.020 -4.148 -4.506) 11.743 14.874 ( -4.316 -9.823 -5.051) 11.859 15.180 ( -6.509 -0.287 1.242) 6.633 15.356 ( 7.731 5.483 1.880) 9.662 15.577 ( -0.104 10.248 3.346) 10.781 15.740 ( 4.636 6.514 -4.762) 9.306 15.940 ( 2.309 9.085 -7.457) 11.978 16.175 ( -3.887 -2.607 -4.367) 6.401 16.252 ( -3.981 0.235 1.366) 4.215 16.532 ( -3.566 0.879 2.179) 4.271 25.011 ( -1.235 1.100 1.411) 2.174 25.060 ( -2.186 2.410 1.483) 3.576 25.105 ( -0.245 -0.870 1.921) 2.123 25.213 ( 1.708 -0.490 0.278) 1.799 25.224 ( 0.038 2.404 -0.824) 2.542 25.473 ( -2.454 -2.687 5.240) 6.380 25.555 ( -0.048 -0.572 0.428) 0.716 25.827 ( -9.362 -30.366 27.199) 41.828 27.095 ( 1.081 -0.882 1.528) 2.069 27.197 ( 4.212 4.182 4.335) 7.350 27.397 ( -0.415 -2.120 -1.545) 2.656 27.491 ( -3.833 5.004 -13.495) 14.894 29.171 ( 12.905 3.628 -3.328) 13.812 29.402 ( 1.763 -9.142 -1.086) 9.373 29.773 ( 1.327 16.884 -4.256) 17.463 30.166 ( -6.012 8.338 -16.650) 19.567 ======================= Grid point 61 (29/104) ======================= q-point: ( 0.00 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.973 ( 5.245 24.289 -7.243) 25.883 1.402 ( -12.721 25.015 11.925) 30.493 2.161 ( 3.284 17.610 37.275) 41.356 2.530 ( -4.570 -7.598 1.044) 8.928 2.561 ( 7.496 -21.638 -7.676) 24.152 2.724 ( -6.589 2.171 -8.284) 10.805 2.833 ( -4.200 -7.401 3.652) 9.260 3.050 ( -0.846 -5.137 -1.696) 5.476 3.082 ( 3.270 6.426 -0.395) 7.221 3.112 ( 8.160 4.622 0.668) 9.402 3.245 ( 1.353 4.549 0.357) 4.759 3.416 ( -1.185 14.089 1.968) 14.275 3.455 ( -3.532 6.949 1.110) 7.873 3.559 ( 5.909 -2.150 3.066) 6.996 3.658 ( -1.683 10.117 0.736) 10.283 3.732 ( -1.535 -8.076 2.534) 8.602 4.445 ( -2.896 -2.947 -6.818) 7.972 4.490 ( -6.536 -2.443 -8.654) 11.117 4.632 ( 0.861 -6.562 2.748) 7.166 4.696 ( 3.240 3.496 2.034) 5.182 4.943 ( 2.491 -2.315 8.376) 9.040 5.015 ( -1.074 -1.724 -2.383) 3.131 5.086 ( 3.326 -0.656 -3.479) 4.858 5.209 ( -0.952 -5.642 -0.877) 5.789 5.406 ( -5.564 6.038 2.662) 8.632 5.487 ( -0.313 2.786 2.533) 3.778 5.576 ( -0.946 -0.959 6.539) 6.677 5.683 ( -3.151 6.423 -2.836) 7.696 5.838 ( -5.440 2.155 -1.909) 6.154 6.003 ( -1.567 -3.220 1.528) 3.893 6.213 ( 5.821 -6.731 -0.605) 8.919 6.326 ( 0.749 -7.163 -1.008) 7.272 6.640 ( -0.628 0.707 -4.883) 4.974 6.730 ( -3.309 -0.822 -6.434) 7.281 7.052 ( -2.156 1.261 -0.560) 2.559 7.080 ( -5.921 2.252 -2.078) 6.667 7.266 ( 10.112 3.880 -2.961) 11.228 7.330 ( 5.995 -5.126 3.944) 8.818 7.582 ( 2.191 3.669 2.232) 4.821 7.647 ( 2.293 -3.502 1.491) 4.444 7.806 ( -0.228 -4.215 -2.734) 5.030 7.941 ( 6.582 -8.304 15.468) 18.750 8.202 ( -1.628 8.486 2.407) 8.970 8.278 ( -4.452 5.674 -6.946) 10.013 8.425 ( -2.434 3.380 0.392) 4.183 8.628 ( 0.023 2.610 -3.238) 4.159 8.722 ( -1.649 3.923 0.036) 4.255 8.859 ( 6.437 -1.989 3.118) 7.424 9.836 ( -1.514 3.787 0.901) 4.176 9.989 ( -1.584 1.278 -1.611) 2.596 10.183 ( -2.203 -0.944 4.999) 5.543 10.419 ( -1.220 -6.039 -0.710) 6.202 10.782 ( 10.483 7.965 -4.949) 14.065 10.925 ( 1.328 1.367 -8.434) 8.647 10.973 ( -1.819 1.073 0.218) 2.123 11.156 ( 5.594 1.241 -0.788) 5.784 11.179 ( -0.768 4.185 -3.523) 5.524 11.438 ( -9.442 0.800 3.167) 9.991 11.587 ( -1.066 -4.175 -6.342) 7.667 12.035 ( -3.059 -9.785 -5.282) 11.533 12.130 ( 1.929 -3.719 -5.219) 6.692 12.442 ( -2.365 -1.224 -5.370) 5.994 12.612 ( 0.345 -11.258 2.539) 11.546 12.791 ( -0.323 -8.801 -0.089) 8.807 13.262 ( 0.870 2.375 -1.769) 3.087 13.366 ( 2.521 -1.324 0.443) 2.882 13.654 ( -5.690 4.631 5.791) 9.346 13.883 ( -5.874 -4.471 8.652) 11.373 14.081 ( -2.139 6.596 -0.174) 6.936 14.185 ( 7.272 2.440 0.542) 7.689 14.418 ( 4.051 -2.580 5.402) 7.228 14.741 ( 10.245 -9.341 8.757) 16.398 15.138 ( -3.975 3.682 -1.312) 5.575 15.433 ( 1.716 -3.353 3.293) 5.003 15.791 ( -6.630 9.895 -4.977) 12.909 15.912 ( -1.594 5.857 -1.693) 6.302 15.971 ( 3.909 1.157 -5.536) 6.875 16.178 ( 6.520 0.774 -0.061) 6.566 16.243 ( 0.065 -0.383 1.250) 1.309 16.378 ( -4.631 -4.458 2.108) 6.764 25.027 ( -0.455 1.895 0.024) 1.949 25.085 ( -0.524 1.143 0.924) 1.561 25.099 ( -0.679 0.600 0.278) 0.948 25.201 ( -0.434 -1.424 1.593) 2.181 25.269 ( -0.111 2.174 0.449) 2.223 25.379 ( -5.426 -1.869 7.002) 9.054 25.450 ( -2.795 -2.646 6.863) 7.868 25.550 ( 0.958 -2.427 1.438) 2.979 27.106 ( -0.464 0.096 1.256) 1.342 27.245 ( -3.135 4.227 -3.294) 6.208 27.298 ( -0.083 -3.339 -1.138) 3.529 27.615 ( 7.075 -6.163 4.482) 10.398 29.202 ( 0.077 -6.262 -0.840) 6.318 29.229 ( -1.023 -6.718 -4.135) 7.954 30.109 ( 3.570 10.138 -2.725) 11.088 30.245 ( 3.494 8.279 -9.610) 13.157 ======================= Grid point 62 (30/104) ======================= q-point: ( 0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.922 ( -7.398 12.656 15.072) 21.026 1.480 ( 12.609 21.686 8.440) 26.467 2.199 ( -22.500 -15.530 -1.237) 27.367 2.441 ( 0.485 -0.192 8.434) 8.450 2.650 ( 6.418 0.120 8.605) 10.736 2.748 ( -3.232 -5.695 0.721) 6.588 2.796 ( 8.727 -9.156 -4.284) 13.354 2.959 ( -5.374 -3.658 3.917) 7.590 3.098 ( -1.490 5.039 -0.135) 5.257 3.241 ( 3.819 3.032 2.293) 5.388 3.327 ( 0.945 3.979 2.931) 5.031 3.376 ( 1.522 3.078 -4.280) 5.487 3.452 ( 0.520 11.546 6.134) 13.085 3.585 ( -1.942 5.365 -4.510) 7.273 3.688 ( -1.225 -1.375 2.726) 3.290 3.760 ( 6.897 -1.941 1.611) 7.343 4.279 ( -8.979 -5.211 -3.577) 10.981 4.370 ( -1.554 -2.806 -4.355) 5.409 4.561 ( -9.259 -1.555 -3.139) 9.899 4.774 ( 2.324 6.004 4.217) 7.696 4.932 ( -2.875 1.680 -4.520) 5.614 4.995 ( -3.709 -1.169 9.115) 9.910 5.123 ( -0.717 -6.236 0.816) 6.330 5.159 ( -2.522 -1.925 0.554) 3.221 5.411 ( 3.889 6.484 1.268) 7.667 5.481 ( -1.120 7.845 -0.827) 7.967 5.564 ( -0.869 -1.554 3.932) 4.316 5.635 ( -2.177 4.415 1.254) 5.080 5.741 ( -2.599 2.384 -1.737) 3.931 6.033 ( 0.944 0.301 1.613) 1.893 6.253 ( 1.246 -6.040 -3.661) 7.172 6.431 ( 7.853 -6.745 3.979) 11.090 6.592 ( -0.755 1.499 -6.639) 6.848 6.689 ( 2.765 -0.886 -4.530) 5.381 6.927 ( -6.651 2.798 -3.786) 8.149 7.080 ( 3.817 -3.009 2.287) 5.372 7.373 ( 4.760 0.774 -1.014) 4.928 7.470 ( 5.008 0.166 1.448) 5.216 7.640 ( 1.330 5.467 2.937) 6.346 7.673 ( 1.185 -1.714 0.111) 2.087 7.778 ( 0.184 -0.445 -0.756) 0.896 8.090 ( -5.127 9.568 -10.815) 15.323 8.170 ( 6.404 -3.828 8.076) 10.995 8.256 ( 0.079 5.952 -0.141) 5.954 8.433 ( 4.176 -3.770 5.401) 7.799 8.558 ( -5.563 3.142 -7.692) 9.999 8.653 ( -4.833 -1.423 1.742) 5.331 9.003 ( 5.112 -7.017 2.634) 9.072 9.805 ( -1.931 5.370 0.109) 5.708 9.985 ( 1.586 0.758 0.975) 2.010 10.146 ( -2.604 3.456 0.167) 4.330 10.381 ( -2.506 -5.047 -0.059) 5.635 10.715 ( -6.447 7.781 -12.315) 15.930 10.902 ( -6.447 2.217 7.666) 10.259 10.948 ( 0.342 1.074 -2.267) 2.531 11.216 ( 4.557 0.020 1.359) 4.755 11.228 ( -2.329 2.909 3.913) 5.403 11.443 ( 5.187 -6.182 0.331) 8.077 11.526 ( 3.919 -2.013 -6.937) 8.218 11.938 ( -2.857 -12.455 -1.537) 12.871 12.141 ( 1.816 -6.698 -3.491) 7.769 12.281 ( -7.803 -1.331 -8.350) 11.505 12.579 ( -3.544 -7.225 -4.536) 9.237 12.685 ( -8.715 -9.195 -5.849) 13.954 13.297 ( 1.125 4.031 8.966) 9.895 13.435 ( 5.147 -0.084 -2.148) 5.578 13.654 ( -0.967 6.018 6.593) 8.979 13.862 ( 0.079 -2.878 5.355) 6.080 14.076 ( 0.017 5.677 1.339) 5.833 14.253 ( -1.430 -0.933 0.793) 1.883 14.556 ( 9.089 0.239 3.604) 9.781 14.977 ( 3.782 -10.405 9.135) 14.354 15.095 ( 2.872 4.132 -1.389) 5.220 15.427 ( -4.946 0.133 -0.577) 4.981 15.642 ( -2.017 5.791 -4.072) 7.361 15.825 ( -5.178 0.072 -1.852) 5.500 16.085 ( 7.122 0.795 -2.237) 7.507 16.176 ( -3.294 -1.108 1.400) 3.746 16.297 ( 5.258 3.132 0.374) 6.132 16.434 ( 6.231 0.528 -1.956) 6.552 25.031 ( 0.992 1.621 -0.011) 1.900 25.075 ( -0.882 1.239 0.705) 1.677 25.112 ( 1.197 0.004 0.803) 1.441 25.196 ( -0.511 1.173 1.862) 2.259 25.282 ( -0.234 0.649 2.289) 2.391 25.329 ( -3.594 2.116 3.728) 5.594 25.444 ( -1.711 -0.887 6.155) 6.450 25.586 ( 1.762 -3.124 1.388) 3.846 27.088 ( -1.292 1.135 -0.510) 1.794 27.191 ( -2.345 1.036 0.231) 2.574 27.297 ( 0.949 -3.199 -0.947) 3.469 27.757 ( 5.660 -13.686 1.943) 14.937 29.089 ( -7.832 -2.009 -3.357) 8.754 29.203 ( -1.382 -7.452 -0.942) 7.637 30.143 ( 2.356 11.618 -1.938) 12.012 30.306 ( 6.885 5.941 -8.392) 12.374 ======================= Grid point 63 (31/104) ======================= q-point: ( 0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.062 ( 10.169 -7.198 22.268) 25.516 1.643 ( -18.495 -8.889 0.315) 20.523 1.914 ( 8.639 6.859 6.811) 12.964 2.366 ( -5.570 -7.774 0.261) 9.567 2.553 ( -15.101 8.571 -2.979) 17.617 2.831 ( 5.569 -11.138 2.469) 12.695 2.889 ( -1.505 -3.709 -2.770) 4.868 2.981 ( 8.220 -11.617 -6.083) 15.477 3.063 ( -3.753 1.914 6.499) 7.745 3.270 ( -2.715 3.006 -0.393) 4.070 3.377 ( -0.406 1.718 2.251) 2.861 3.408 ( 4.452 6.674 11.492) 14.015 3.510 ( 5.638 0.750 -2.006) 6.031 3.559 ( 2.001 3.832 -2.759) 5.129 3.693 ( 0.911 0.511 1.001) 1.446 3.819 ( 0.050 2.170 -7.104) 7.428 4.208 ( -2.062 -5.754 13.123) 14.477 4.302 ( -15.589 7.358 -1.241) 17.283 4.356 ( 0.438 -0.411 2.295) 2.372 4.776 ( -1.627 7.718 -4.810) 9.238 4.861 ( -2.226 3.723 -0.474) 4.363 4.986 ( -2.503 -5.776 5.688) 8.484 5.101 ( -1.855 -2.281 2.532) 3.880 5.142 ( 0.536 -0.864 -1.034) 1.450 5.441 ( -0.021 7.067 -0.272) 7.072 5.519 ( 1.010 3.489 2.744) 4.553 5.558 ( -0.584 -2.718 1.420) 3.121 5.639 ( 0.362 5.421 4.607) 7.123 5.732 ( 1.969 6.729 0.489) 7.028 6.029 ( -1.381 -1.497 1.495) 2.527 6.288 ( 3.045 -1.141 0.469) 3.286 6.493 ( -0.191 0.055 -6.917) 6.920 6.579 ( 3.131 1.293 -3.883) 5.152 6.711 ( -2.492 3.374 0.412) 4.215 6.891 ( 6.058 -8.566 -2.308) 10.743 7.150 ( 3.790 -8.459 -2.993) 9.741 7.462 ( 2.190 -2.391 3.482) 4.758 7.515 ( 1.321 2.491 -1.194) 3.062 7.652 ( -2.969 2.187 0.016) 3.687 7.695 ( 5.321 5.878 -0.272) 7.934 7.846 ( 2.566 1.140 4.073) 4.947 7.957 ( -0.182 8.861 -9.461) 12.964 8.209 ( -3.434 3.006 -1.174) 4.713 8.280 ( -0.930 2.107 0.939) 2.487 8.386 ( -3.128 4.245 -5.185) 7.395 8.475 ( -1.727 -3.794 -4.666) 6.257 8.660 ( 1.522 -5.867 5.613) 8.261 9.029 ( -1.271 -9.327 -2.454) 9.728 9.784 ( -0.627 6.312 1.783) 6.589 10.045 ( 3.259 1.966 2.438) 4.520 10.123 ( 0.319 3.765 -1.098) 3.935 10.344 ( -1.048 -1.036 0.082) 1.476 10.581 ( -3.074 1.129 -2.691) 4.238 10.798 ( -9.147 3.941 8.168) 12.881 10.917 ( -1.883 -0.263 -1.991) 2.753 11.093 ( -7.297 -2.334 -0.195) 7.664 11.356 ( 3.050 4.087 6.376) 8.164 11.501 ( 6.608 -6.682 -6.291) 11.309 11.629 ( 2.325 1.806 -1.924) 3.517 11.939 ( 2.096 -12.091 5.029) 13.262 12.105 ( -2.062 -12.760 -7.386) 14.887 12.213 ( 5.030 -5.044 -0.693) 7.157 12.430 ( -6.611 -8.378 -10.851) 15.220 12.547 ( -2.524 -0.882 -0.148) 2.677 13.361 ( -0.422 1.016 5.551) 5.659 13.492 ( 1.189 -1.008 -0.599) 1.669 13.655 ( -1.063 5.988 4.251) 7.420 13.939 ( 2.957 0.852 6.024) 6.764 14.077 ( -0.382 5.678 -0.274) 5.697 14.185 ( -4.277 1.400 -2.351) 5.077 14.709 ( 5.206 -1.851 0.131) 5.526 14.979 ( -4.914 -7.250 1.485) 8.883 15.169 ( 4.548 5.524 -1.887) 7.400 15.348 ( -2.369 0.105 1.485) 2.798 15.614 ( -0.826 0.778 -4.700) 4.835 15.750 ( -1.633 -1.816 2.311) 3.362 16.135 ( -0.621 -0.285 -2.098) 2.206 16.185 ( 3.469 -1.722 0.584) 3.917 16.419 ( 7.017 6.263 1.535) 9.530 16.489 ( 1.540 4.401 -3.683) 5.942 25.058 ( 1.226 1.795 0.500) 2.230 25.066 ( -0.173 1.026 0.776) 1.298 25.132 ( 0.045 0.025 1.707) 1.708 25.214 ( 0.370 0.063 3.226) 3.248 25.278 ( -1.276 2.277 2.944) 3.935 25.293 ( -1.515 4.611 -0.109) 4.855 25.468 ( -0.585 -1.466 8.013) 8.167 25.619 ( 0.949 -4.126 0.557) 4.270 27.072 ( 0.067 1.633 -0.533) 1.719 27.147 ( -2.536 -1.136 0.347) 2.801 27.320 ( 1.418 -3.471 0.721) 3.818 27.822 ( 1.590 -15.592 -3.330) 16.023 28.954 ( -4.557 0.299 -0.967) 4.668 29.168 ( -1.597 -7.992 -0.528) 8.167 30.170 ( 1.812 12.725 -3.346) 13.282 30.358 ( 3.933 4.693 -6.806) 9.155 ======================= Grid point 64 (32/104) ======================= q-point: (-0.50 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.172 ( -27.789 -12.448 5.098) 30.873 1.461 ( 19.414 -17.054 14.658) 29.709 2.112 ( -11.881 10.988 3.561) 16.570 2.298 ( 5.726 7.650 1.704) 9.707 2.341 ( 1.919 -1.527 -2.029) 3.183 2.791 ( -3.298 -8.501 -5.996) 10.913 2.937 ( 2.934 -7.423 2.221) 8.285 3.023 ( 0.210 3.066 3.073) 4.346 3.104 ( 2.271 -7.571 -2.172) 8.197 3.236 ( -1.093 7.751 -2.302) 8.159 3.267 ( -3.972 -2.386 0.523) 4.663 3.487 ( -8.567 3.698 2.296) 9.609 3.564 ( 0.094 9.432 -1.546) 9.558 3.629 ( 5.268 -6.199 -5.756) 9.965 3.679 ( -2.071 -0.847 -1.252) 2.564 3.776 ( -2.277 4.653 2.272) 5.656 4.159 ( 3.591 8.560 5.900) 10.999 4.282 ( -0.289 -5.278 15.079) 15.979 4.409 ( 2.816 -1.491 6.854) 7.558 4.721 ( -1.458 8.529 -6.411) 10.769 4.808 ( -2.393 3.777 -2.396) 5.073 4.983 ( -1.213 -2.473 2.673) 3.838 5.056 ( -0.253 -1.751 -1.185) 2.130 5.186 ( 2.145 0.928 0.900) 2.504 5.450 ( -0.028 4.499 1.556) 4.761 5.493 ( -1.999 -8.521 2.985) 9.248 5.592 ( 0.750 4.661 0.817) 4.791 5.653 ( -1.029 4.342 4.759) 6.524 5.799 ( 2.125 10.426 4.303) 11.478 6.025 ( 0.326 -5.455 1.273) 5.611 6.330 ( 0.272 2.686 2.447) 3.644 6.448 ( 0.574 -0.814 -7.213) 7.281 6.608 ( 1.894 2.911 -2.786) 4.452 6.681 ( 1.291 3.528 -1.296) 3.974 6.950 ( -0.641 -8.580 -0.389) 8.613 7.208 ( 3.672 -12.693 -3.472) 13.662 7.455 ( -3.454 -1.923 -0.139) 3.956 7.532 ( 1.437 0.629 -2.920) 3.315 7.571 ( -2.812 2.462 -2.427) 4.456 7.741 ( -3.792 7.430 -3.545) 9.064 7.777 ( -6.519 -2.820 -2.307) 7.468 8.068 ( 9.891 6.604 3.328) 12.350 8.142 ( 0.003 2.305 -2.849) 3.664 8.255 ( 1.530 4.914 -1.026) 5.248 8.338 ( -0.126 1.852 -5.616) 5.915 8.498 ( 3.808 -1.139 2.319) 4.602 8.643 ( -4.053 -1.997 0.908) 4.609 8.984 ( -1.219 -9.770 -4.845) 10.974 9.805 ( 0.796 5.883 4.019) 7.169 10.079 ( -3.532 3.489 2.720) 5.661 10.144 ( 4.776 0.758 -1.886) 5.190 10.349 ( 0.600 4.560 -0.001) 4.599 10.541 ( -2.048 -6.336 0.139) 6.660 10.722 ( -2.538 6.692 7.668) 10.489 10.897 ( 2.083 -2.161 -2.946) 4.206 10.998 ( -2.490 -0.051 -0.843) 2.629 11.420 ( 0.091 3.036 8.103) 8.653 11.521 ( -2.235 1.202 -5.404) 5.970 11.640 ( 4.258 -6.706 -6.446) 10.230 11.957 ( -2.483 -10.571 8.326) 13.683 12.163 ( 6.177 -9.887 -3.229) 12.098 12.209 ( -3.143 -6.425 -5.005) 8.730 12.387 ( 7.038 -0.890 -2.681) 7.583 12.596 ( 6.367 -7.831 5.208) 11.357 13.306 ( -6.344 -0.076 -1.619) 6.548 13.492 ( -0.484 -4.255 -0.290) 4.292 13.670 ( -0.849 8.343 4.077) 9.325 13.995 ( -1.174 0.826 5.703) 5.881 14.066 ( 0.066 5.922 -0.965) 6.000 14.110 ( -0.961 3.998 -4.465) 6.069 14.708 ( -4.063 -3.913 -6.805) 8.839 14.882 ( -3.620 -6.537 -1.855) 7.699 15.248 ( 3.822 4.838 -0.134) 6.167 15.312 ( -3.141 -1.070 2.281) 4.026 15.595 ( 2.942 0.839 -2.851) 4.182 15.764 ( 0.034 1.029 3.419) 3.571 16.104 ( -1.062 0.371 -3.142) 3.337 16.222 ( 0.713 -1.435 -1.305) 2.066 16.457 ( -3.133 4.895 -0.888) 5.879 16.540 ( 4.905 5.370 0.835) 7.321 25.061 ( -0.107 1.209 1.136) 1.662 25.088 ( 0.009 1.895 1.797) 2.612 25.138 ( 0.232 -0.219 0.830) 0.889 25.209 ( -3.269 1.068 3.597) 4.976 25.278 ( 0.516 4.624 -1.331) 4.839 25.306 ( 1.866 0.448 4.233) 4.648 25.504 ( -1.579 -2.243 9.725) 10.104 25.619 ( -1.165 -5.052 0.030) 5.184 27.080 ( 0.364 0.244 -0.227) 0.494 27.122 ( 0.306 1.563 0.928) 1.843 27.346 ( 0.448 -3.785 1.684) 4.167 27.771 ( -2.922 -12.659 -8.699) 15.635 28.928 ( 1.450 -0.286 1.145) 1.869 29.150 ( 0.208 -8.340 -0.512) 8.359 30.157 ( -0.400 13.049 -5.187) 14.048 30.377 ( 2.516 3.982 -6.193) 7.781 ======================= Grid point 65 (33/104) ======================= q-point: (-0.33 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.831 ( -13.298 3.812 15.123) 20.496 1.754 ( -11.865 17.825 -2.712) 21.584 1.911 ( 14.250 -16.272 7.874) 23.018 2.400 ( -2.371 0.826 8.674) 9.030 2.494 ( 8.959 2.592 -0.208) 9.329 2.751 ( 3.075 -3.218 -4.388) 6.250 2.849 ( -12.887 12.894 8.372) 20.061 3.024 ( -2.394 -5.722 -2.159) 6.567 3.114 ( 3.638 -3.072 1.378) 4.957 3.215 ( -3.470 2.707 -2.403) 5.014 3.263 ( -2.736 2.357 -5.714) 6.759 3.334 ( 2.461 2.944 2.194) 4.420 3.513 ( -5.883 2.084 -4.873) 7.918 3.585 ( 0.825 6.126 -0.380) 6.193 3.701 ( -1.708 0.734 -2.176) 2.862 3.746 ( -0.489 0.731 1.677) 1.894 4.316 ( 4.044 -1.855 10.273) 11.195 4.411 ( 8.261 -1.847 6.236) 10.513 4.570 ( 9.666 -5.503 4.510) 12.002 4.623 ( -4.252 6.666 -1.883) 8.128 4.758 ( -2.262 1.763 -4.253) 5.130 4.991 ( 2.235 4.217 0.377) 4.788 5.092 ( 1.555 -3.767 -0.118) 4.077 5.212 ( 0.900 0.700 1.018) 1.528 5.421 ( -3.736 -7.019 7.502) 10.932 5.524 ( 3.102 1.535 -3.781) 5.126 5.585 ( -2.396 2.347 2.585) 4.234 5.679 ( 0.392 2.994 4.944) 5.794 5.835 ( -0.026 9.637 4.666) 10.707 6.060 ( 2.211 -5.848 1.634) 6.462 6.310 ( -3.224 -3.646 -3.725) 6.129 6.422 ( -2.443 -3.501 0.651) 4.319 6.611 ( 2.375 8.533 -4.023) 9.728 6.760 ( 6.101 0.124 2.989) 6.795 6.914 ( 0.004 -2.207 -1.411) 2.620 7.129 ( -9.350 -7.071 -2.555) 11.997 7.385 ( -2.948 -3.680 -5.750) 7.436 7.499 ( -2.835 0.498 -11.009) 11.379 7.580 ( -3.501 -4.600 3.057) 6.539 7.591 ( -0.356 0.202 -0.794) 0.893 7.671 ( -2.610 -1.460 -1.832) 3.507 8.109 ( -3.922 -5.013 -5.155) 8.191 8.222 ( 4.441 8.914 1.531) 10.076 8.293 ( 1.692 2.925 -1.758) 3.809 8.357 ( 4.027 9.487 3.518) 10.890 8.578 ( 2.745 0.054 3.559) 4.495 8.638 ( 2.872 3.065 2.735) 5.012 8.904 ( -3.505 -6.285 -8.104) 10.838 9.847 ( 0.458 4.432 4.246) 6.155 10.012 ( -3.191 3.136 1.775) 4.813 10.232 ( 2.906 -4.667 0.135) 5.500 10.330 ( -0.657 8.915 0.278) 8.943 10.524 ( 2.001 -4.503 -2.122) 5.365 10.788 ( 5.693 1.699 -0.487) 5.961 10.958 ( 4.826 -0.802 -0.195) 4.896 10.988 ( 1.491 2.937 -1.667) 3.691 11.391 ( -4.388 2.054 -5.899) 7.634 11.527 ( 1.496 0.166 14.505) 14.583 11.665 ( 3.879 -7.957 -7.900) 11.865 11.958 ( -4.394 -0.644 -0.031) 4.441 12.150 ( 4.891 -13.263 3.898) 14.663 12.244 ( 2.209 -0.186 -5.157) 5.614 12.542 ( 7.914 -2.083 2.826) 8.658 12.750 ( 4.365 -11.247 4.140) 12.755 13.188 ( -2.587 0.191 -2.848) 3.852 13.452 ( -3.236 -4.486 -1.965) 5.870 13.678 ( -0.175 6.405 3.563) 7.331 13.979 ( -3.145 0.479 4.513) 5.522 14.076 ( 1.211 4.224 -1.130) 4.537 14.102 ( 2.053 3.547 -0.210) 4.103 14.514 ( -10.836 -2.006 -9.488) 14.542 14.803 ( -4.027 -8.911 -4.932) 10.952 15.239 ( -3.959 -0.237 3.387) 5.215 15.332 ( 3.237 2.086 0.198) 3.856 15.690 ( 7.404 5.215 0.475) 9.068 15.783 ( 0.409 4.276 2.685) 5.066 16.058 ( -1.332 1.547 -4.604) 5.036 16.205 ( -0.461 -1.006 -3.767) 3.926 16.370 ( -6.874 2.849 1.823) 7.661 16.583 ( -1.035 1.052 0.560) 1.578 25.066 ( -1.249 1.247 2.194) 2.816 25.086 ( -0.190 1.896 1.462) 2.402 25.150 ( -1.091 0.040 -0.291) 1.130 25.166 ( -1.386 1.144 2.512) 3.088 25.288 ( 0.937 3.586 -1.025) 3.845 25.371 ( 1.525 -2.171 5.737) 6.321 25.516 ( -4.138 -4.123 10.787) 12.267 25.580 ( -2.933 -5.372 0.330) 6.129 27.079 ( 0.162 0.253 0.225) 0.375 27.181 ( 4.207 4.154 3.109) 6.680 27.351 ( -1.004 -3.520 1.380) 3.912 27.637 ( -4.735 -7.117 -10.924) 13.871 29.007 ( 6.240 -1.270 0.760) 6.413 29.172 ( 2.364 -8.515 -0.433) 8.848 30.107 ( -1.083 13.045 -5.687) 14.272 30.367 ( 0.540 3.203 -7.688) 8.346 ======================= Grid point 66 (34/104) ======================= q-point: (-0.17 0.29 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.864 ( 6.001 18.812 4.209) 20.189 1.551 ( -8.108 29.274 5.454) 30.862 2.167 ( -22.249 12.828 22.669) 34.256 2.258 ( 15.964 -16.667 2.208) 23.184 2.670 ( 1.533 0.593 -0.228) 1.659 2.756 ( 5.568 -1.335 1.584) 5.941 2.888 ( 6.280 1.062 -0.980) 6.444 2.950 ( -4.169 -7.361 2.260) 8.756 3.045 ( -3.755 7.135 -10.840) 13.510 3.136 ( -1.455 2.542 -0.233) 2.938 3.274 ( -0.084 -1.008 -1.506) 1.814 3.390 ( 2.792 3.981 -2.103) 5.298 3.441 ( -0.832 8.551 4.415) 9.659 3.581 ( -5.813 3.610 4.150) 8.003 3.644 ( 2.537 6.580 -4.185) 8.201 3.747 ( -1.489 -4.236 2.602) 5.190 4.458 ( 5.371 -1.330 3.956) 6.802 4.542 ( 0.150 -3.782 -3.593) 5.219 4.603 ( 8.054 4.062 1.115) 9.089 4.654 ( -3.940 -2.891 -3.932) 6.273 4.793 ( 6.455 -4.395 8.690) 11.683 5.027 ( 0.313 -2.188 0.847) 2.367 5.085 ( 1.112 3.115 -6.292) 7.109 5.219 ( -0.402 -5.614 -0.509) 5.651 5.455 ( 0.183 -2.446 8.767) 9.104 5.522 ( -4.693 2.980 1.548) 5.770 5.535 ( -0.679 1.116 1.412) 1.923 5.714 ( 0.627 5.117 1.392) 5.340 5.877 ( 0.758 5.327 3.603) 6.475 6.082 ( -2.997 -6.695 1.404) 7.468 6.194 ( -3.523 -6.200 -6.249) 9.482 6.346 ( -2.796 -4.992 -1.667) 5.959 6.655 ( 2.533 2.698 -3.747) 5.266 6.863 ( -5.426 -3.978 0.974) 6.798 6.961 ( 8.404 5.421 -0.366) 10.007 7.053 ( 6.799 1.935 5.107) 8.721 7.252 ( -5.243 -2.458 -10.294) 11.811 7.328 ( -6.587 -5.585 -3.443) 9.297 7.544 ( 0.644 -0.979 0.627) 1.329 7.616 ( -0.167 -1.115 -1.029) 1.527 7.715 ( 4.836 -5.245 5.446) 8.975 7.958 ( -8.003 -6.858 -1.159) 10.602 8.233 ( -2.389 9.093 2.067) 9.626 8.342 ( 1.363 6.892 -0.849) 7.076 8.437 ( 1.281 4.657 1.635) 5.099 8.621 ( 1.627 4.490 -0.089) 4.777 8.718 ( 2.166 4.092 2.133) 5.098 8.800 ( -1.079 -1.944 -5.284) 5.733 9.852 ( -1.431 2.987 2.117) 3.931 10.013 ( 0.487 3.735 0.960) 3.887 10.194 ( -4.011 -5.256 4.239) 7.853 10.405 ( 4.046 0.269 0.263) 4.063 10.598 ( 9.569 3.172 -5.438) 11.454 10.886 ( 6.753 -0.537 -6.133) 9.138 10.994 ( -0.035 1.897 -0.826) 2.070 11.045 ( 4.679 1.458 -0.277) 4.909 11.278 ( -4.302 2.664 -4.388) 6.698 11.604 ( -0.120 -1.930 3.220) 3.756 11.650 ( -7.415 -1.327 -5.389) 9.262 11.938 ( 8.248 -1.498 1.359) 8.493 12.210 ( -1.640 -5.042 -8.252) 9.809 12.347 ( 9.718 -8.175 5.941) 14.020 12.611 ( -1.344 -3.850 1.890) 4.495 12.787 ( 0.095 -7.858 0.420) 7.869 13.214 ( 4.755 -0.066 -1.019) 4.863 13.377 ( -2.594 -2.838 -2.861) 4.793 13.704 ( -1.059 2.113 5.388) 5.884 13.942 ( -5.426 -1.645 8.404) 10.138 14.089 ( 2.688 3.187 -2.919) 5.089 14.200 ( -0.647 3.608 2.829) 4.630 14.267 ( -2.244 -0.510 -2.364) 3.299 14.690 ( -4.125 -9.111 -3.302) 10.532 15.198 ( -2.925 1.998 2.575) 4.379 15.384 ( 1.989 -1.569 1.413) 2.901 15.817 ( 3.495 11.849 1.532) 12.448 15.832 ( 5.210 4.651 -0.512) 7.003 16.034 ( 2.915 0.547 -5.337) 6.105 16.146 ( -4.330 -0.168 -6.148) 7.522 16.257 ( -5.139 0.468 4.267) 6.696 16.507 ( -7.516 -3.305 1.152) 8.291 25.044 ( -1.745 2.142 1.250) 3.032 25.095 ( -0.681 0.407 0.871) 1.178 25.113 ( -1.380 2.096 0.978) 2.693 25.184 ( 0.898 -2.022 1.197) 2.516 25.286 ( -0.580 3.071 -1.307) 3.388 25.413 ( -1.028 -2.750 5.208) 5.979 25.476 ( -7.119 -7.187 12.313) 15.936 25.543 ( -0.908 -2.828 0.353) 2.991 27.093 ( 0.705 0.806 1.270) 1.661 27.277 ( 2.799 2.949 2.105) 4.578 27.326 ( -2.156 -3.149 -1.131) 3.980 27.524 ( -0.008 -0.900 -4.398) 4.489 29.137 ( 7.034 -3.656 -1.244) 8.024 29.220 ( 2.926 -8.172 -0.886) 8.726 30.074 ( 1.616 12.416 -4.910) 13.449 30.302 ( -1.613 4.638 -9.484) 10.680 ======================= Grid point 67 (35/104) ======================= q-point: ( 0.00 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 8.466 26.436 -13.892) 31.041 1.846 ( -8.474 13.513 3.129) 16.254 2.078 ( 4.123 -19.062 -8.543) 21.292 2.285 ( -12.479 -15.826 4.057) 20.559 2.436 ( 2.338 11.658 19.881) 23.166 2.662 ( 1.030 -10.304 7.730) 12.922 2.787 ( -6.419 4.809 -10.581) 13.277 2.914 ( -4.572 -7.510 -7.589) 11.615 3.184 ( 6.280 3.672 -1.678) 7.466 3.213 ( 7.674 1.996 -1.307) 8.036 3.399 ( -3.241 8.676 9.440) 13.225 3.485 ( -2.515 1.070 5.575) 6.208 3.529 ( -1.160 -1.323 6.930) 7.150 3.587 ( 0.824 -5.858 4.560) 7.469 3.817 ( -0.206 22.633 1.004) 22.656 3.994 ( -3.841 18.665 -4.525) 19.586 4.253 ( -0.966 -18.176 -3.173) 18.476 4.307 ( -8.427 -12.966 -8.320) 17.560 4.587 ( 4.951 4.233 5.486) 8.517 4.748 ( 1.840 -5.352 8.244) 10.000 4.831 ( 2.546 -0.662 -2.518) 3.641 4.940 ( -0.219 -6.792 -1.793) 7.028 5.036 ( -0.515 2.018 4.734) 5.171 5.121 ( 1.199 -4.960 -0.500) 5.127 5.553 ( -0.723 5.365 1.333) 5.575 5.557 ( 0.499 3.801 1.401) 4.081 5.695 ( -3.135 9.150 2.555) 10.004 5.768 ( -4.254 1.146 -2.264) 4.954 5.837 ( -3.137 -0.705 -2.603) 4.137 5.920 ( 3.511 -5.739 2.014) 7.023 6.115 ( 1.449 -1.168 3.203) 3.705 6.182 ( 0.066 -6.655 2.591) 7.141 6.689 ( 1.037 2.790 -8.959) 9.440 6.717 ( -0.031 -0.404 -7.770) 7.781 7.039 ( -4.392 -0.778 -0.240) 4.467 7.070 ( -5.183 -3.243 -1.692) 6.344 7.284 ( 7.211 2.049 3.184) 8.145 7.319 ( 8.533 -0.203 3.427) 9.198 7.649 ( 3.235 2.549 0.182) 4.122 7.656 ( 2.105 3.754 6.647) 7.919 7.723 ( 1.197 -3.474 -0.539) 3.714 7.774 ( 5.980 -7.050 12.739) 15.740 8.382 ( -2.117 5.672 -5.673) 8.297 8.389 ( -3.221 5.321 -5.835) 8.528 8.489 ( -0.819 3.796 -1.778) 4.271 8.613 ( 1.076 -5.166 -2.374) 5.786 8.786 ( -2.168 2.443 -1.773) 3.716 8.819 ( -0.265 -1.376 0.032) 1.401 9.922 ( -0.535 4.556 2.050) 5.024 9.999 ( -2.456 -1.915 -0.222) 3.122 10.171 ( 0.349 2.614 3.327) 4.245 10.288 ( -0.896 -7.215 -1.005) 7.339 10.920 ( 10.278 6.165 -1.659) 12.099 10.965 ( 5.396 0.871 -7.996) 9.685 11.015 ( -0.246 3.766 4.328) 5.742 11.138 ( 5.514 -5.096 8.053) 11.011 11.276 ( -4.420 6.175 -8.923) 11.717 11.406 ( -8.221 -4.551 -5.585) 10.931 11.564 ( -6.836 5.029 -7.797) 11.525 11.779 ( -8.890 -14.061 -9.586) 19.200 12.139 ( 3.028 6.093 2.276) 7.174 12.344 ( 3.571 -13.272 3.582) 14.203 12.515 ( -4.040 5.599 -4.072) 8.016 12.639 ( -2.178 -6.796 -2.548) 7.578 13.324 ( 3.361 2.840 2.697) 5.161 13.355 ( 3.146 -0.432 1.545) 3.531 13.733 ( -1.969 3.283 4.077) 5.593 13.802 ( -4.404 -3.839 4.734) 7.520 14.194 ( -1.716 4.699 -3.280) 5.982 14.257 ( -0.756 0.761 1.561) 1.894 14.395 ( 9.036 3.854 4.628) 10.859 14.555 ( 9.486 -9.496 7.964) 15.608 15.232 ( -2.068 5.412 0.707) 5.837 15.341 ( 0.195 -5.415 2.569) 5.997 15.923 ( -6.248 3.935 -7.441) 10.483 15.970 ( -2.871 -1.011 -8.085) 8.639 16.056 ( 0.347 7.701 -1.005) 7.775 16.184 ( 6.276 -3.178 -0.944) 7.098 16.224 ( -1.533 1.051 4.378) 4.756 16.285 ( 0.495 -4.186 4.958) 6.508 25.068 ( -1.026 2.064 0.400) 2.340 25.099 ( -1.375 -0.847 0.376) 1.658 25.115 ( 0.292 1.915 0.293) 1.959 25.158 ( 1.019 -2.326 0.658) 2.624 25.313 ( -1.602 1.899 3.530) 4.316 25.349 ( -1.826 -1.719 5.091) 5.676 25.442 ( -0.527 1.840 3.590) 4.068 25.496 ( 0.546 -3.018 1.335) 3.345 27.128 ( -0.916 2.240 0.093) 2.422 27.193 ( -1.338 -4.188 -1.342) 4.597 27.376 ( -0.881 6.214 -1.717) 6.507 27.499 ( 1.736 -6.001 0.115) 6.248 29.120 ( -0.007 -1.899 -0.505) 1.965 29.130 ( -0.449 -2.897 -1.259) 3.191 30.269 ( 2.996 5.657 -3.550) 7.320 30.324 ( 2.887 0.271 -5.404) 6.133 ======================= Grid point 68 (36/104) ======================= q-point: ( 0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.299 ( -17.573 23.391 0.423) 29.259 1.785 ( -22.776 -24.266 -2.170) 33.350 1.928 ( 11.682 22.633 2.320) 25.575 2.362 ( 9.430 -19.792 -2.566) 22.073 2.517 ( -6.333 5.483 0.508) 8.392 2.639 ( 0.174 -3.080 -4.201) 5.212 2.761 ( 4.196 -1.404 1.341) 4.623 2.801 ( -1.124 -7.733 1.221) 7.909 3.205 ( -5.727 5.211 2.770) 8.224 3.279 ( -1.755 -1.327 -0.894) 2.375 3.423 ( -2.936 3.392 5.949) 7.451 3.432 ( 1.448 2.714 2.150) 3.753 3.577 ( 0.158 -1.059 -0.958) 1.436 3.603 ( 3.381 -2.456 0.526) 4.212 3.811 ( -6.265 16.392 1.244) 17.593 3.951 ( 4.754 14.328 -0.636) 15.109 4.099 ( -8.179 -10.993 -1.426) 13.776 4.251 ( 1.584 -10.861 0.934) 11.015 4.652 ( -1.438 9.815 2.455) 10.219 4.817 ( 0.466 1.854 4.197) 4.612 4.835 ( -0.855 -7.566 1.843) 7.833 4.966 ( 2.400 -10.705 0.109) 10.971 5.003 ( -5.618 2.534 7.103) 9.404 5.078 ( -5.771 -4.962 1.662) 7.790 5.579 ( 1.337 4.479 -0.651) 4.719 5.595 ( 0.391 3.087 2.290) 3.863 5.613 ( -2.035 8.465 0.808) 8.744 5.711 ( 0.490 -0.153 -2.220) 2.279 5.815 ( 0.640 6.364 -2.461) 6.853 5.984 ( 1.105 -7.520 -1.466) 7.741 6.179 ( 4.734 1.273 3.773) 6.186 6.278 ( 7.617 -7.381 6.496) 12.437 6.650 ( 0.586 3.702 -8.994) 9.744 6.691 ( 2.268 -0.171 -8.366) 8.670 6.958 ( -5.864 0.750 -2.216) 6.314 7.002 ( -0.923 -3.928 0.213) 4.040 7.394 ( 4.371 2.338 3.011) 5.800 7.453 ( 5.006 -2.499 3.450) 6.573 7.684 ( 0.596 1.887 2.784) 3.416 7.711 ( 0.446 0.164 1.587) 1.656 7.830 ( 6.214 7.128 7.296) 11.944 8.010 ( 9.552 -10.002 10.809) 17.554 8.237 ( -5.394 5.731 -9.719) 12.506 8.315 ( -3.994 -1.265 -6.623) 7.837 8.505 ( 3.346 7.928 -0.251) 8.609 8.588 ( -2.527 -0.411 -6.288) 6.790 8.673 ( -7.462 3.538 -2.772) 8.711 8.823 ( 0.658 -10.243 1.903) 10.439 9.926 ( -0.525 5.775 1.445) 5.976 9.993 ( 1.449 -0.603 1.795) 2.384 10.186 ( -0.391 1.938 2.806) 3.433 10.273 ( 0.092 -5.889 -0.405) 5.904 10.892 ( -9.491 9.960 -14.994) 20.349 10.970 ( -3.532 2.227 1.940) 4.604 10.993 ( -2.258 3.411 -2.132) 4.613 11.158 ( -9.900 -10.323 -9.168) 16.989 11.231 ( 9.027 4.753 5.108) 11.409 11.403 ( 11.078 -6.389 7.454) 14.802 11.452 ( -2.591 3.847 -2.101) 5.092 11.654 ( -1.978 -13.585 0.399) 13.734 12.092 ( -6.234 4.735 -5.734) 9.704 12.261 ( -8.455 -9.097 -6.245) 13.901 12.461 ( -0.720 2.934 -4.907) 5.762 12.564 ( -3.104 -5.425 -3.567) 7.197 13.380 ( -0.091 4.190 6.971) 8.134 13.442 ( 2.665 -1.125 4.092) 5.012 13.749 ( 0.246 3.904 4.090) 5.660 13.818 ( 4.070 -2.583 3.672) 6.060 14.167 ( 0.245 3.837 -2.263) 4.462 14.229 ( -1.312 -1.964 -1.338) 2.714 14.611 ( 8.490 5.993 6.603) 12.312 14.775 ( 5.770 -9.757 8.891) 14.407 15.218 ( 1.180 7.295 0.331) 7.398 15.356 ( -0.051 -6.076 1.135) 6.182 15.741 ( -6.739 4.119 -7.004) 10.557 15.805 ( -7.837 -2.242 -6.038) 10.144 16.103 ( 3.101 1.627 -0.139) 3.505 16.144 ( -1.575 -2.144 0.122) 2.663 16.368 ( 8.205 3.500 1.960) 9.133 16.421 ( 8.643 -1.720 0.235) 8.816 25.066 ( 0.543 1.721 0.358) 1.840 25.093 ( 0.225 -0.654 0.030) 0.692 25.123 ( 0.281 2.213 0.868) 2.393 25.176 ( 0.654 -2.471 0.205) 2.564 25.318 ( -0.717 2.432 4.608) 5.260 25.355 ( -0.857 -0.531 4.659) 4.767 25.451 ( -0.760 2.245 3.372) 4.121 25.517 ( 0.734 -3.741 1.352) 4.045 27.104 ( -1.387 1.369 -0.279) 1.968 27.153 ( -1.896 -3.392 -1.868) 4.311 27.354 ( -0.391 7.153 -0.933) 7.224 27.527 ( 1.558 -10.071 -0.726) 10.217 29.064 ( -4.606 -0.053 -1.167) 4.752 29.096 ( -2.552 -3.392 -0.443) 4.268 30.314 ( 3.782 5.679 -2.960) 7.438 30.368 ( 4.584 0.220 -4.935) 6.739 ======================= Grid point 69 (37/104) ======================= q-point: ( 0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.066 ( -9.455 8.394 12.831) 18.014 1.343 ( -24.449 -17.210 3.869) 30.148 2.183 ( 12.336 15.670 0.600) 19.952 2.342 ( -3.030 5.175 -0.024) 5.997 2.513 ( -0.498 -14.180 -2.633) 14.431 2.594 ( 0.854 -11.686 -0.277) 11.721 2.803 ( 1.245 1.364 -6.557) 6.812 2.853 ( 2.752 -2.549 -4.450) 5.821 3.101 ( -5.066 3.112 5.135) 7.856 3.195 ( -4.818 -5.691 2.343) 7.816 3.424 ( 0.016 2.091 1.513) 2.581 3.466 ( 1.780 -2.502 -0.641) 3.137 3.587 ( 3.787 5.523 -6.445) 9.294 3.657 ( 1.341 0.146 -4.162) 4.375 3.742 ( -1.105 8.888 5.275) 10.394 3.919 ( -4.901 -3.031 1.586) 5.977 4.133 ( 2.313 5.649 11.958) 13.426 4.299 ( 1.114 -5.888 4.936) 7.764 4.576 ( -7.964 18.134 3.090) 20.045 4.788 ( -5.174 -1.742 2.560) 6.030 4.817 ( -2.373 -4.409 4.819) 6.950 4.951 ( -1.899 -12.906 0.444) 13.053 4.995 ( -0.724 -0.519 3.583) 3.692 5.049 ( 1.656 -3.661 2.261) 4.611 5.519 ( -5.959 5.420 2.776) 8.520 5.566 ( -0.351 2.046 -2.127) 2.972 5.681 ( 3.169 6.594 0.470) 7.330 5.769 ( 4.926 0.086 0.273) 4.934 5.809 ( 0.766 6.848 -3.680) 7.812 5.966 ( -0.865 -6.234 -1.433) 6.455 6.316 ( 6.112 5.050 3.749) 8.770 6.447 ( 4.567 -6.153 2.737) 8.137 6.617 ( 2.164 4.044 -7.395) 8.702 6.711 ( 4.792 -4.521 -5.319) 8.467 6.844 ( -4.687 5.008 -2.035) 7.155 6.983 ( -0.552 -8.165 -1.540) 8.327 7.477 ( 1.956 3.625 2.950) 5.066 7.540 ( 2.780 -0.984 0.527) 2.996 7.681 ( -3.003 1.177 0.504) 3.264 7.716 ( -0.748 -2.289 1.852) 3.038 7.986 ( 5.623 10.885 5.321) 13.357 8.104 ( -2.006 5.101 -6.760) 8.703 8.194 ( -1.214 -4.855 -1.923) 5.362 8.217 ( 3.318 -6.234 1.772) 7.281 8.449 ( -3.576 2.420 -7.360) 8.533 8.472 ( -4.318 0.362 -6.690) 7.971 8.638 ( 1.161 5.642 3.995) 7.010 8.822 ( -1.835 -10.978 -0.694) 11.152 9.925 ( -0.616 7.192 2.367) 7.596 10.040 ( 1.211 -3.560 2.845) 4.716 10.195 ( -0.211 4.885 2.650) 5.562 10.306 ( 3.670 -4.678 -0.625) 5.979 10.662 ( -5.999 8.711 -9.658) 14.323 10.853 ( -6.028 -7.466 -5.774) 11.199 10.921 ( -5.289 6.529 4.559) 9.559 11.027 ( -0.876 -3.973 -4.579) 6.125 11.378 ( 0.698 2.032 5.767) 6.154 11.441 ( 0.777 -1.597 5.954) 6.213 11.642 ( 8.338 -1.354 3.660) 9.206 11.702 ( 4.846 -9.513 4.825) 11.716 11.921 ( -4.259 0.676 -7.646) 8.778 12.062 ( -6.954 -10.712 -6.781) 14.460 12.422 ( 0.218 4.852 -4.273) 6.469 12.510 ( -0.823 -3.215 -2.386) 4.087 13.396 ( -1.911 2.491 3.267) 4.531 13.454 ( -2.724 -2.868 1.654) 4.287 13.806 ( 2.162 7.840 5.059) 9.578 13.925 ( 3.145 -3.454 5.813) 7.457 14.162 ( 0.892 3.233 -3.523) 4.865 14.200 ( -0.383 -0.258 -3.456) 3.486 14.719 ( 0.906 3.241 1.012) 3.514 14.828 ( -2.594 -7.199 1.781) 7.856 15.274 ( 2.976 5.066 1.447) 6.051 15.346 ( -1.235 -1.732 -0.602) 2.211 15.631 ( -1.940 1.890 -4.533) 5.281 15.693 ( -0.796 -3.684 -0.271) 3.779 16.133 ( -0.075 0.395 -0.366) 0.543 16.152 ( 1.974 -1.428 0.678) 2.529 16.511 ( 6.020 3.342 0.344) 6.895 16.543 ( 5.214 0.461 -2.462) 5.785 25.085 ( 0.869 1.098 0.610) 1.528 25.097 ( 0.410 0.692 -0.478) 0.936 25.136 ( 0.103 1.437 1.886) 2.373 25.186 ( 0.369 -2.607 0.599) 2.700 25.333 ( -0.791 3.175 4.523) 5.583 25.370 ( -0.441 1.166 3.942) 4.134 25.455 ( -1.102 1.544 3.881) 4.320 25.531 ( 0.096 -4.639 0.298) 4.649 27.085 ( -0.599 0.674 0.360) 0.971 27.116 ( -0.816 -2.217 -0.680) 2.459 27.352 ( 0.262 6.526 -0.133) 6.533 27.542 ( 0.879 -12.237 -2.229) 12.469 28.979 ( -3.527 2.217 -0.433) 4.188 29.045 ( -2.358 -4.597 -0.272) 5.174 30.354 ( 2.561 5.901 -4.065) 7.609 30.409 ( 2.997 0.159 -5.065) 5.887 ======================= Grid point 70 (38/104) ======================= q-point: (-0.50 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.029 ( -12.106 -0.784 11.293) 16.574 1.154 ( 8.199 -12.465 14.251) 20.632 2.282 ( 3.632 7.734 1.398) 8.658 2.404 ( -3.772 9.676 4.611) 11.363 2.511 ( -0.595 5.696 -4.649) 7.377 2.523 ( 2.910 -13.682 1.247) 14.044 2.797 ( 0.866 -4.467 -5.689) 7.285 2.877 ( 6.363 -10.133 -6.353) 13.547 3.086 ( -0.517 2.328 2.691) 3.596 3.163 ( -0.199 -5.533 0.766) 5.589 3.428 ( 1.627 7.126 -3.350) 8.041 3.547 ( 4.265 -4.947 2.667) 7.055 3.594 ( -6.148 3.827 0.481) 7.258 3.608 ( 0.567 1.130 -3.211) 3.451 3.763 ( 0.248 6.845 2.137) 7.175 3.871 ( -3.697 -0.623 7.830) 8.681 4.209 ( -1.510 3.389 10.663) 11.290 4.340 ( 0.868 -4.770 4.015) 6.295 4.468 ( -4.145 17.373 4.116) 18.329 4.718 ( -2.895 -4.499 2.212) 5.789 4.837 ( 0.178 -1.636 3.706) 4.055 4.940 ( 0.282 -10.303 0.140) 10.308 4.980 ( -2.466 2.162 1.808) 3.745 5.091 ( 0.840 -8.079 1.608) 8.281 5.446 ( -2.941 8.401 2.429) 9.226 5.560 ( 0.888 -0.356 -1.368) 1.670 5.709 ( 0.066 6.529 -1.003) 6.606 5.807 ( 1.550 7.643 -3.029) 8.366 5.847 ( 2.916 -3.716 0.117) 4.725 5.949 ( -0.564 -3.596 -0.026) 3.640 6.376 ( -2.266 3.298 1.441) 4.253 6.437 ( -4.124 -1.565 -0.753) 4.475 6.663 ( 5.272 3.687 -2.618) 6.946 6.778 ( 4.040 -7.782 -1.959) 8.984 6.794 ( 0.555 7.420 -1.862) 7.670 6.974 ( 0.997 -10.540 -3.017) 11.009 7.488 ( -2.239 5.019 0.361) 5.507 7.552 ( -0.535 0.503 -3.045) 3.133 7.596 ( -4.299 0.322 -3.417) 5.501 7.658 ( -6.708 -6.763 -1.336) 9.619 7.938 ( -6.855 9.630 -5.359) 12.979 8.086 ( -2.373 -4.573 -3.432) 6.191 8.219 ( 7.142 4.308 2.596) 8.736 8.275 ( 1.719 -1.479 -1.309) 2.619 8.423 ( 3.792 4.389 -1.231) 5.930 8.475 ( 6.267 -1.241 0.998) 6.466 8.648 ( -1.204 3.557 1.683) 4.115 8.786 ( -0.416 -9.460 -2.371) 9.762 9.938 ( -0.017 7.114 3.883) 8.105 10.072 ( 0.306 -6.060 3.605) 7.058 10.190 ( -2.212 7.573 1.423) 8.017 10.360 ( 1.137 -8.567 -1.119) 8.714 10.555 ( -0.053 10.807 -6.651) 12.690 10.761 ( -0.810 -8.399 -5.255) 9.941 10.902 ( 1.072 8.190 5.016) 9.663 11.015 ( 1.742 -1.180 -2.630) 3.368 11.418 ( 1.304 -0.401 5.619) 5.782 11.475 ( -0.725 -5.047 4.031) 6.499 11.622 ( -5.488 3.681 -3.223) 7.352 11.740 ( -3.208 -8.943 3.861) 10.256 11.987 ( 7.284 -2.847 1.341) 7.935 12.062 ( 7.880 -8.206 1.412) 11.465 12.437 ( 4.026 4.570 -1.810) 6.354 12.514 ( 2.590 -2.928 0.319) 3.922 13.330 ( -5.303 2.485 -2.393) 6.327 13.403 ( -2.693 -4.539 -1.416) 5.464 13.846 ( -1.626 8.214 5.087) 9.797 13.969 ( -2.062 -3.901 5.382) 6.960 14.160 ( 1.623 3.395 -4.386) 5.779 14.179 ( 0.452 1.771 -3.807) 4.223 14.674 ( -4.182 1.066 -5.464) 6.963 14.749 ( -4.446 -6.006 -3.570) 8.281 15.295 ( -1.661 1.609 1.151) 2.583 15.320 ( -0.425 -0.410 -0.800) 0.994 15.648 ( 5.012 4.362 0.805) 6.693 15.735 ( 3.161 -3.569 3.178) 5.730 16.125 ( -0.617 1.796 -1.065) 2.178 16.173 ( 0.111 -2.891 -0.282) 2.907 16.547 ( -1.532 4.085 -1.616) 4.653 16.596 ( 1.507 -0.202 -1.623) 2.224 25.089 ( -0.235 1.445 0.362) 1.508 25.112 ( 0.882 -0.457 0.021) 0.994 25.144 ( -0.647 1.917 2.261) 3.034 25.194 ( -0.491 -2.353 1.554) 2.862 25.340 ( -1.145 3.760 3.824) 5.483 25.383 ( -0.229 2.955 3.031) 4.239 25.453 ( -2.325 -1.280 4.890) 5.563 25.520 ( -0.973 -5.011 -0.966) 5.196 27.088 ( 0.464 1.461 1.124) 1.900 27.130 ( 1.864 -1.895 1.788) 3.204 27.356 ( 0.167 5.441 0.164) 5.446 27.528 ( -0.425 -11.132 -3.863) 11.791 28.949 ( 0.518 2.357 0.233) 2.424 29.021 ( 0.068 -4.921 -0.313) 4.932 30.350 ( 0.221 6.414 -5.583) 8.507 30.416 ( 1.254 -0.414 -5.584) 5.738 ======================= Grid point 71 (39/104) ======================= q-point: (-0.33 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.056 ( 6.820 17.330 9.849) 21.068 1.462 ( 16.678 -22.427 6.755) 28.754 2.200 ( -8.723 20.568 -0.918) 22.360 2.439 ( -1.048 1.779 4.959) 5.371 2.515 ( 7.742 -1.249 1.383) 7.963 2.662 ( 8.237 -11.461 2.453) 14.325 2.777 ( -3.581 -0.640 -3.821) 5.276 2.883 ( -3.601 -7.987 -1.026) 8.821 3.146 ( 6.411 3.600 2.548) 7.781 3.233 ( 6.700 -4.515 -0.405) 8.089 3.369 ( -5.694 3.627 -6.562) 9.415 3.440 ( -10.088 0.608 0.497) 10.119 3.498 ( -3.254 9.461 2.851) 10.403 3.658 ( -3.208 -3.353 8.025) 9.270 3.843 ( 7.464 10.669 -0.988) 13.058 3.899 ( 2.814 8.217 4.951) 9.997 4.211 ( -1.829 -3.116 7.393) 8.229 4.369 ( -1.500 -12.606 4.538) 13.482 4.502 ( 4.450 10.331 1.029) 11.296 4.706 ( -0.361 -4.740 0.708) 4.806 4.798 ( -3.671 6.131 -1.623) 7.327 4.939 ( -0.210 -6.888 -0.045) 6.891 4.993 ( 0.864 -2.096 3.825) 4.446 5.093 ( -0.810 -10.726 0.889) 10.793 5.460 ( 2.431 9.440 3.439) 10.337 5.578 ( 1.210 -1.176 -0.180) 1.697 5.683 ( -1.280 8.962 -2.148) 9.304 5.827 ( 0.883 8.521 0.708) 8.596 5.874 ( 1.635 -8.126 -3.090) 8.846 5.949 ( 0.399 -3.185 0.509) 3.250 6.270 ( -9.029 0.686 1.345) 9.154 6.332 ( -7.927 -4.769 2.607) 9.612 6.748 ( 3.644 5.055 -4.094) 7.456 6.784 ( 2.293 1.447 -1.611) 3.154 6.885 ( 7.699 -0.228 0.879) 7.753 6.963 ( 0.226 -7.620 -3.803) 8.519 7.377 ( -7.940 2.580 -3.937) 9.230 7.463 ( -11.334 -5.162 -5.225) 13.506 7.517 ( 0.258 0.634 -2.115) 2.223 7.556 ( 0.929 -2.745 -1.347) 3.195 7.783 ( -5.884 9.613 -4.545) 12.153 7.973 ( -7.046 -8.715 -4.773) 12.181 8.349 ( 7.001 3.496 1.762) 8.021 8.369 ( 6.018 2.633 2.090) 6.893 8.517 ( 1.849 6.803 -1.410) 7.190 8.586 ( 5.263 0.101 1.357) 5.436 8.683 ( 4.120 1.609 3.845) 5.860 8.760 ( -0.614 -6.962 -2.659) 7.478 9.954 ( -1.296 6.176 3.450) 7.192 10.074 ( -1.871 -3.440 3.543) 5.281 10.156 ( -2.062 4.720 0.626) 5.189 10.325 ( -2.557 -8.912 0.774) 9.304 10.595 ( 7.734 10.209 -6.558) 14.389 10.766 ( 5.020 -5.721 -5.398) 9.331 10.984 ( 4.180 4.227 -0.034) 5.945 11.037 ( 1.795 0.384 -3.175) 3.668 11.415 ( -3.042 1.659 -2.661) 4.368 11.506 ( 2.482 -7.305 -4.837) 9.106 11.589 ( 2.388 6.868 14.101) 15.865 11.798 ( 4.263 -13.461 16.202) 21.492 12.039 ( -0.455 3.762 -4.803) 6.118 12.170 ( 2.924 -7.377 -5.230) 9.503 12.548 ( 6.342 2.308 3.121) 7.436 12.608 ( 4.399 -3.927 4.083) 7.173 13.227 ( -2.077 4.199 -4.564) 6.540 13.341 ( -2.069 -6.544 -3.185) 7.567 13.819 ( -3.420 6.982 3.561) 8.551 13.934 ( -4.344 -4.379 4.307) 7.523 14.163 ( 1.156 3.289 -3.621) 5.026 14.172 ( 1.150 2.327 -1.326) 2.915 14.520 ( -7.884 3.071 -7.789) 11.500 14.634 ( -5.403 -7.792 -5.584) 11.004 15.266 ( -1.923 2.455 2.083) 3.751 15.318 ( 0.154 -2.381 0.527) 2.443 15.787 ( 8.302 3.866 2.630) 9.528 15.826 ( 4.776 0.017 3.546) 5.948 16.092 ( -1.817 2.511 -2.682) 4.099 16.157 ( -0.802 -3.452 -2.070) 4.104 16.458 ( -7.268 5.465 -0.526) 9.109 16.556 ( -5.132 -3.667 -1.007) 6.387 25.090 ( -0.183 1.488 1.303) 1.986 25.123 ( 0.423 -1.490 -0.011) 1.549 25.136 ( -1.471 2.402 1.411) 3.150 25.179 ( -2.264 -1.168 1.730) 3.079 25.337 ( -1.303 2.770 2.659) 4.055 25.402 ( 0.037 2.473 3.775) 4.513 25.421 ( -4.169 -2.915 4.342) 6.688 25.496 ( -0.891 -4.260 -0.586) 4.392 27.112 ( 1.004 3.075 1.610) 3.613 27.187 ( 2.136 -3.575 2.722) 4.975 27.363 ( 0.730 5.068 0.262) 5.127 27.492 ( -0.542 -7.258 -4.107) 8.357 28.997 ( 4.289 0.724 0.261) 4.357 29.045 ( 2.737 -4.281 -0.309) 5.090 30.306 ( -0.937 7.041 -6.079) 9.349 30.388 ( -0.330 -1.364 -6.437) 6.588 ======================= Grid point 72 (40/104) ======================= q-point: (-0.17 0.43 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.292 ( 14.782 23.629 -3.535) 28.095 1.780 ( 16.105 -24.695 -3.458) 29.685 2.097 ( -4.248 23.736 1.779) 24.179 2.386 ( -7.343 4.663 12.169) 14.959 2.551 ( -13.884 -9.919 0.892) 17.087 2.646 ( -2.669 -9.307 5.850) 11.312 2.848 ( 3.648 0.098 0.422) 3.674 2.880 ( 9.675 -2.012 -0.048) 9.882 3.161 ( -1.824 3.808 -10.352) 11.180 3.211 ( -4.790 -0.744 -8.624) 9.894 3.344 ( 4.224 6.956 8.620) 11.854 3.443 ( 1.310 4.261 6.385) 7.787 3.486 ( 1.911 -1.355 6.111) 6.544 3.600 ( -6.453 -3.774 6.880) 10.159 3.866 ( -3.431 19.124 -0.938) 19.452 4.007 ( 4.620 20.004 0.592) 20.539 4.272 ( 2.059 -16.596 -0.512) 16.731 4.386 ( 2.282 -16.866 3.022) 17.286 4.520 ( -2.086 4.755 0.025) 5.192 4.701 ( -0.840 -9.439 2.534) 9.810 4.781 ( 3.244 9.587 -1.296) 10.203 4.965 ( 0.809 -9.140 -0.510) 9.190 4.990 ( -0.261 1.753 2.934) 3.428 5.097 ( 1.378 -7.691 -1.912) 8.045 5.530 ( 1.674 5.781 2.499) 6.517 5.582 ( -1.546 1.345 1.627) 2.617 5.672 ( 1.295 11.294 1.110) 11.422 5.836 ( -0.384 5.123 1.042) 5.242 5.877 ( -0.247 -6.540 -3.164) 7.270 5.945 ( -2.415 -5.165 -0.447) 5.719 6.124 ( -6.233 0.599 2.780) 6.851 6.211 ( -5.536 -7.230 2.587) 9.466 6.724 ( 0.740 3.494 -8.521) 9.239 6.788 ( -2.572 -3.302 -5.389) 6.823 7.042 ( 9.003 2.410 4.900) 10.530 7.070 ( 8.503 -0.396 5.191) 9.970 7.212 ( -6.111 -0.626 -5.549) 8.278 7.239 ( -6.704 -2.936 -5.477) 9.141 7.553 ( 3.168 1.879 3.010) 4.757 7.616 ( 4.390 -4.345 4.264) 7.506 7.677 ( -3.304 6.185 -2.867) 7.576 7.817 ( -6.896 -7.301 -2.554) 10.363 8.423 ( -0.637 7.809 -1.431) 7.964 8.466 ( 2.062 6.030 0.672) 6.408 8.486 ( -0.221 0.693 -3.771) 3.840 8.622 ( -0.444 -6.012 -2.130) 6.393 8.780 ( 2.756 1.600 -0.452) 3.219 8.783 ( 3.669 1.377 2.385) 4.588 9.932 ( -2.043 5.211 2.145) 5.994 10.058 ( -3.446 -6.986 1.870) 8.011 10.135 ( 0.756 7.828 1.995) 8.114 10.307 ( -0.716 -8.325 0.338) 8.362 10.732 ( 10.687 8.554 -3.846) 14.218 10.865 ( 8.817 -3.353 -5.590) 10.965 11.018 ( 0.308 0.761 -1.616) 1.813 11.042 ( 1.357 -1.346 0.335) 1.940 11.357 ( -1.643 5.798 -2.934) 6.703 11.495 ( -0.331 -7.241 -3.444) 8.026 11.736 ( -2.069 8.736 2.458) 9.308 11.938 ( -0.116 -5.255 2.523) 5.831 12.024 ( 3.247 -2.132 -0.945) 3.997 12.175 ( 6.591 -10.429 0.791) 12.362 12.600 ( -2.744 2.250 0.921) 3.666 12.666 ( 0.259 -4.355 0.798) 4.435 13.241 ( 4.965 3.022 -2.121) 6.187 13.316 ( 1.062 -3.839 -1.479) 4.249 13.776 ( -3.922 4.670 3.539) 7.051 13.871 ( -5.945 -4.574 5.705) 9.424 14.182 ( 3.260 4.060 -1.266) 5.359 14.231 ( 5.164 -1.118 3.100) 6.126 14.332 ( -6.748 7.483 -5.392) 11.428 14.507 ( -4.357 -9.355 -3.373) 10.857 15.254 ( -1.288 3.435 2.423) 4.397 15.327 ( -0.091 -3.662 1.935) 4.143 15.922 ( 6.049 4.145 -0.482) 7.348 15.984 ( 9.851 -0.045 1.971) 10.046 16.031 ( -2.317 4.902 -4.270) 6.901 16.131 ( -0.557 -2.865 -3.652) 4.675 16.298 ( -9.676 4.505 2.344) 10.928 16.412 ( -9.960 -5.941 0.683) 11.618 25.090 ( -1.566 2.372 2.163) 3.572 25.113 ( -0.276 1.336 -0.930) 1.651 25.135 ( -0.104 -0.468 -0.920) 1.037 25.139 ( -2.170 -2.099 2.732) 4.072 25.327 ( -1.460 1.468 2.298) 3.093 25.369 ( -3.993 -2.701 5.086) 7.008 25.425 ( -0.048 2.089 3.759) 4.300 25.486 ( -0.151 -3.228 0.532) 3.275 27.132 ( 0.171 3.167 0.984) 3.321 27.213 ( -0.355 -4.816 0.589) 4.865 27.386 ( 1.009 4.837 -0.320) 4.952 27.474 ( 0.876 -3.802 -1.696) 4.254 29.083 ( 4.229 -1.212 -0.402) 4.418 29.103 ( 3.280 -3.443 -0.336) 4.767 30.263 ( 0.397 6.707 -5.236) 8.518 30.339 ( -0.298 -0.994 -6.390) 6.474 ======================= Grid point 91 (41/104) ======================= q-point: ( 0.00 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.320 ( -10.838 0.000 31.613) 33.419 1.353 ( 5.352 0.000 32.571) 33.007 2.402 ( 4.184 0.000 53.182) 53.347 2.750 ( 0.579 0.000 -1.557) 1.662 2.756 ( -3.962 0.000 0.176) 3.966 2.831 ( 2.096 0.000 2.939) 3.610 2.870 ( 11.604 0.000 1.100) 11.656 2.900 ( 7.120 0.000 -5.135) 8.779 3.075 ( 1.875 0.000 -4.743) 5.100 3.103 ( 9.215 0.000 -2.817) 9.635 3.185 ( -4.348 0.000 3.180) 5.387 3.320 ( -5.554 0.000 9.353) 10.878 3.395 ( -5.206 0.000 0.658) 5.247 3.709 ( -2.097 0.000 12.162) 12.342 3.761 ( 2.420 0.000 -6.245) 6.698 4.002 ( 4.398 0.000 -3.523) 5.635 4.045 ( 1.820 0.000 -5.080) 5.396 4.423 ( -5.860 0.000 2.324) 6.305 4.530 ( 2.907 0.000 4.101) 5.027 4.542 ( -0.968 0.000 -1.809) 2.052 4.867 ( -6.698 0.000 -2.623) 7.193 5.043 ( -2.242 0.000 -9.916) 10.166 5.044 ( 4.530 0.000 5.908) 7.445 5.081 ( 0.556 0.000 -7.741) 7.761 5.303 ( -10.496 0.000 -3.295) 11.001 5.581 ( -8.829 0.000 2.622) 9.210 5.686 ( -3.529 0.000 7.218) 8.035 5.817 ( 2.752 0.000 -2.187) 3.516 5.933 ( -5.010 0.000 4.146) 6.503 6.159 ( 8.592 0.000 -2.723) 9.013 6.196 ( -6.211 0.000 1.647) 6.426 6.413 ( 1.277 0.000 -4.798) 4.965 6.550 ( -9.958 0.000 -4.357) 10.869 6.799 ( 9.077 0.000 -8.365) 12.343 6.869 ( 13.193 0.000 4.735) 14.017 6.951 ( -4.610 0.000 -5.392) 7.094 7.148 ( -2.098 0.000 4.581) 5.038 7.366 ( 0.167 0.000 -10.932) 10.933 7.431 ( -0.452 0.000 -2.580) 2.619 7.620 ( -2.559 0.000 -2.409) 3.514 7.837 ( 2.606 0.000 -2.120) 3.360 7.932 ( 1.684 0.000 -7.620) 7.804 8.000 ( -12.922 0.000 -4.395) 13.649 8.178 ( 0.992 0.000 7.523) 7.588 8.570 ( -7.805 0.000 2.036) 8.066 8.663 ( 5.784 0.000 3.591) 6.808 8.870 ( -3.088 0.000 -13.109) 13.468 8.918 ( 14.357 0.000 -1.287) 14.415 9.830 ( -3.203 0.000 3.159) 4.498 9.939 ( 1.429 0.000 2.067) 2.513 10.167 ( -1.982 0.000 2.912) 3.523 10.280 ( 3.378 0.000 2.499) 4.202 10.680 ( -2.878 0.000 5.202) 5.945 10.946 ( 1.153 0.000 -1.106) 1.597 10.998 ( 0.362 0.000 1.354) 1.402 11.103 ( 7.548 0.000 9.433) 12.081 11.117 ( 7.282 0.000 3.626) 8.135 11.329 ( -1.861 0.000 3.985) 4.398 11.755 ( 4.272 0.000 -13.100) 13.779 11.861 ( -6.569 0.000 3.842) 7.610 12.287 ( 1.614 0.000 -9.759) 9.892 12.403 ( 1.985 0.000 -12.511) 12.668 12.680 ( -4.855 0.000 -8.847) 10.092 12.989 ( -3.056 0.000 -15.932) 16.222 13.120 ( -0.335 0.000 3.295) 3.312 13.558 ( -4.402 0.000 -4.418) 6.237 13.663 ( 5.017 0.000 15.958) 16.728 14.085 ( 9.994 0.000 -0.497) 10.006 14.137 ( -3.071 0.000 7.908) 8.483 14.371 ( 7.125 0.000 2.395) 7.517 14.679 ( -17.685 0.000 -4.902) 18.352 14.815 ( -2.833 0.000 -8.476) 8.936 15.304 ( -2.570 0.000 4.524) 5.203 15.339 ( 5.954 0.000 0.880) 6.019 15.479 ( 8.294 0.000 4.495) 9.434 15.628 ( 3.645 0.000 5.832) 6.878 15.898 ( 7.789 0.000 0.856) 7.836 16.169 ( 2.171 0.000 -2.735) 3.492 16.191 ( -4.039 0.000 3.414) 5.289 16.474 ( -6.838 0.000 -1.200) 6.942 25.012 ( -1.344 0.000 0.114) 1.349 25.065 ( 1.392 0.000 0.111) 1.397 25.126 ( -2.045 0.000 2.037) 2.887 25.182 ( -1.237 0.000 3.810) 4.006 25.320 ( 2.175 0.000 3.650) 4.249 25.580 ( -1.633 0.000 0.740) 1.792 25.594 ( -4.244 0.000 6.440) 7.713 25.817 ( -23.218 0.000 -3.703) 23.511 27.029 ( -1.618 0.000 0.723) 1.772 27.307 ( 0.989 0.000 9.132) 9.185 27.337 ( 2.019 0.000 -5.324) 5.694 28.267 ( 27.164 0.000 -11.021) 29.315 28.992 ( -1.991 0.000 3.618) 4.129 29.494 ( 3.490 0.000 -5.592) 6.592 29.539 ( -0.675 0.000 0.868) 1.100 29.642 ( 2.689 0.000 -2.761) 3.854 ======================= Grid point 92 (42/104) ======================= q-point: ( 0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.359 ( -1.612 0.000 28.528) 28.573 1.704 ( 12.221 0.000 27.847) 30.411 2.558 ( -16.097 0.000 0.698) 16.112 2.587 ( -12.459 0.000 -1.852) 12.596 2.752 ( 0.543 0.000 12.651) 12.663 2.910 ( -2.652 0.000 -3.544) 4.427 2.918 ( 2.339 0.000 8.027) 8.361 3.094 ( -6.997 0.000 15.150) 16.687 3.094 ( 9.043 0.000 -2.794) 9.465 3.147 ( 5.959 0.000 5.794) 8.311 3.271 ( 10.023 0.000 -4.635) 11.043 3.369 ( 4.003 0.000 7.473) 8.478 3.375 ( 3.102 0.000 1.676) 3.526 3.730 ( -1.384 0.000 12.773) 12.848 3.779 ( 1.175 0.000 -0.232) 1.198 4.031 ( 0.400 0.000 -5.222) 5.237 4.084 ( 4.430 0.000 -7.282) 8.523 4.312 ( -4.089 0.000 4.085) 5.780 4.482 ( -7.455 0.000 -7.639) 10.674 4.587 ( -17.317 0.000 2.912) 17.560 4.588 ( -0.194 0.000 2.578) 2.585 4.946 ( -2.506 0.000 -4.909) 5.512 5.038 ( 0.956 0.000 -8.556) 8.609 5.181 ( 6.183 0.000 1.712) 6.416 5.211 ( -0.299 0.000 4.241) 4.251 5.407 ( -9.460 0.000 -3.175) 9.978 5.656 ( -2.211 0.000 6.275) 6.653 5.811 ( 1.262 0.000 -7.458) 7.564 5.878 ( -5.122 0.000 8.641) 10.045 6.142 ( -1.057 0.000 3.913) 4.053 6.282 ( 5.082 0.000 -3.957) 6.441 6.394 ( -6.527 0.000 -1.250) 6.646 6.418 ( 1.213 0.000 -1.445) 1.887 6.748 ( -5.429 0.000 -2.856) 6.134 7.034 ( 15.782 0.000 -11.395) 19.465 7.172 ( 2.354 0.000 -1.262) 2.671 7.186 ( 15.927 0.000 3.701) 16.352 7.388 ( 7.051 0.000 -2.996) 7.661 7.420 ( 0.907 0.000 -2.016) 2.211 7.613 ( 1.263 0.000 -1.529) 1.984 7.711 ( -7.982 0.000 -6.573) 10.340 7.909 ( 1.181 0.000 0.766) 1.408 7.962 ( 5.549 0.000 -1.233) 5.684 8.241 ( 1.335 0.000 4.777) 4.960 8.349 ( -14.895 0.000 -3.443) 15.288 8.625 ( -9.959 0.000 -15.046) 18.043 8.749 ( 0.521 0.000 2.384) 2.440 9.137 ( 8.469 0.000 -1.780) 8.654 9.766 ( -4.469 0.000 3.867) 5.910 9.985 ( 1.562 0.000 3.567) 3.894 10.153 ( -0.515 0.000 1.741) 1.816 10.390 ( 5.725 0.000 -0.885) 5.793 10.608 ( -7.556 0.000 3.728) 8.426 10.937 ( -2.943 0.000 -1.162) 3.164 11.012 ( -1.112 0.000 3.882) 4.038 11.199 ( -0.617 0.000 15.028) 15.041 11.251 ( 1.891 0.000 4.937) 5.287 11.474 ( 9.581 0.000 2.009) 9.790 11.722 ( 0.491 0.000 -12.560) 12.570 11.734 ( -2.442 0.000 -2.734) 3.665 12.284 ( 0.443 0.000 -9.365) 9.375 12.404 ( 6.383 0.000 -9.491) 11.437 12.556 ( -1.228 0.000 -5.943) 6.069 12.705 ( -13.102 0.000 -10.621) 16.866 13.235 ( 8.190 0.000 0.341) 8.197 13.515 ( 1.570 0.000 -2.147) 2.660 13.799 ( -0.327 0.000 9.271) 9.277 14.089 ( -6.852 0.000 6.840) 9.682 14.148 ( -3.719 0.000 -0.515) 3.754 14.365 ( -13.142 0.000 0.260) 13.145 14.525 ( 7.885 0.000 4.225) 8.945 14.738 ( 0.011 0.000 -8.496) 8.496 15.300 ( -0.408 0.000 2.047) 2.087 15.386 ( 1.420 0.000 0.161) 1.429 15.659 ( -1.327 0.000 -1.072) 1.705 15.667 ( 8.912 0.000 3.506) 9.577 16.025 ( -0.014 0.000 2.753) 2.753 16.174 ( -1.196 0.000 -4.249) 4.414 16.218 ( 6.683 0.000 2.502) 7.136 16.351 ( -3.611 0.000 -0.163) 3.615 25.014 ( 1.340 0.000 0.221) 1.358 25.093 ( 2.333 0.000 -0.901) 2.501 25.101 ( -1.941 0.000 2.024) 2.804 25.230 ( 2.764 0.000 6.499) 7.063 25.352 ( -1.700 0.000 5.188) 5.459 25.361 ( -14.497 0.000 2.856) 14.776 25.582 ( -0.896 0.000 5.628) 5.699 25.726 ( 2.576 0.000 4.047) 4.797 27.012 ( -0.882 0.000 1.008) 1.339 27.341 ( -3.089 0.000 8.185) 8.748 27.354 ( 3.264 0.000 -6.214) 7.019 28.309 ( -5.748 0.000 -17.005) 17.950 29.000 ( 0.527 0.000 3.477) 3.517 29.519 ( -1.917 0.000 0.625) 2.016 29.601 ( 5.564 0.000 -3.654) 6.657 29.750 ( 12.997 0.000 -9.839) 16.302 ======================= Grid point 93 (43/104) ======================= q-point: ( 0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.612 ( 11.968 0.000 19.807) 23.142 2.077 ( 10.465 0.000 18.875) 21.582 2.217 ( -19.801 0.000 2.974) 20.023 2.250 ( -21.602 0.000 -4.380) 22.042 2.694 ( -5.977 0.000 1.397) 6.138 2.794 ( -7.860 0.000 0.195) 7.862 2.934 ( -2.292 0.000 -2.862) 3.667 3.109 ( -2.596 0.000 10.660) 10.971 3.113 ( -2.364 0.000 -9.072) 9.374 3.202 ( -2.171 0.000 1.403) 2.585 3.399 ( 7.094 0.000 -7.644) 10.429 3.475 ( 5.627 0.000 -1.152) 5.744 3.512 ( 0.489 0.000 11.113) 11.124 3.772 ( -2.077 0.000 -0.353) 2.107 3.873 ( 3.850 0.000 16.312) 16.760 3.958 ( -6.828 0.000 -8.977) 11.278 4.020 ( 0.689 0.000 -1.750) 1.881 4.103 ( -16.783 0.000 -1.683) 16.868 4.427 ( 6.657 0.000 3.325) 7.441 4.537 ( 0.459 0.000 10.499) 10.509 4.560 ( -1.962 0.000 2.618) 3.271 4.917 ( 1.269 0.000 -0.008) 1.269 4.995 ( -0.862 0.000 -7.911) 7.958 5.171 ( -2.789 0.000 -8.300) 8.756 5.277 ( 2.166 0.000 8.667) 8.934 5.376 ( 4.133 0.000 5.740) 7.073 5.694 ( 0.598 0.000 10.088) 10.105 5.801 ( 3.066 0.000 -7.871) 8.447 5.873 ( -0.050 0.000 6.872) 6.872 6.173 ( 0.729 0.000 4.443) 4.502 6.280 ( -4.731 0.000 -2.702) 5.448 6.309 ( 1.714 0.000 -3.971) 4.325 6.427 ( -0.804 0.000 2.114) 2.261 6.682 ( -0.156 0.000 -3.091) 3.095 7.194 ( 2.030 0.000 0.320) 2.055 7.281 ( 17.069 0.000 -12.938) 21.418 7.330 ( -0.300 0.000 -6.603) 6.609 7.438 ( 1.776 0.000 -2.609) 3.156 7.520 ( 8.308 0.000 5.569) 10.002 7.604 ( -1.226 0.000 -1.946) 2.300 7.772 ( 10.580 0.000 0.955) 10.623 7.939 ( 4.054 0.000 3.222) 5.178 8.047 ( -12.836 0.000 -4.938) 13.753 8.078 ( 3.688 0.000 5.293) 6.451 8.270 ( 1.055 0.000 -5.708) 5.805 8.408 ( -4.852 0.000 -7.011) 8.526 8.704 ( -5.438 0.000 -0.793) 5.496 9.164 ( -2.238 0.000 -8.584) 8.870 9.759 ( 0.203 0.000 7.045) 7.048 10.020 ( -0.719 0.000 4.023) 4.087 10.180 ( 1.804 0.000 2.114) 2.779 10.472 ( 4.637 0.000 -0.498) 4.664 10.491 ( -6.443 0.000 4.213) 7.698 10.841 ( -6.452 0.000 0.305) 6.459 10.984 ( -4.359 0.000 2.750) 5.154 11.189 ( -7.748 0.000 1.608) 7.913 11.297 ( 0.821 0.000 9.302) 9.338 11.545 ( -0.691 0.000 -1.168) 1.357 11.684 ( 2.964 0.000 -4.175) 5.120 11.859 ( 14.439 0.000 0.204) 14.440 12.149 ( -5.461 0.000 -13.206) 14.290 12.316 ( -8.891 0.000 -18.238) 20.290 12.593 ( 4.603 0.000 1.790) 4.939 12.666 ( 11.504 0.000 3.645) 12.067 13.379 ( 6.435 0.000 0.644) 6.467 13.562 ( 4.273 0.000 -2.619) 5.011 13.741 ( -7.187 0.000 -0.941) 7.248 13.930 ( -11.711 0.000 -0.398) 11.717 14.003 ( -9.567 0.000 -1.665) 9.710 14.304 ( 1.288 0.000 11.519) 11.591 14.616 ( -1.279 0.000 -1.727) 2.149 14.755 ( 6.475 0.000 -1.643) 6.680 15.294 ( -0.653 0.000 -1.381) 1.528 15.417 ( 1.830 0.000 -0.054) 1.831 15.600 ( -2.810 0.000 -4.543) 5.342 15.785 ( 0.904 0.000 -0.983) 1.335 15.971 ( -5.550 0.000 2.186) 5.964 16.074 ( -2.520 0.000 -5.560) 6.104 16.368 ( 5.697 0.000 3.945) 6.930 16.389 ( 4.315 0.000 4.553) 6.273 25.054 ( 2.452 0.000 0.909) 2.615 25.088 ( -0.520 0.000 1.826) 1.899 25.141 ( 2.911 0.000 -0.149) 2.914 25.182 ( -7.837 0.000 3.930) 8.767 25.324 ( -4.759 0.000 5.617) 7.361 25.338 ( 4.821 0.000 5.400) 7.239 25.619 ( 0.512 0.000 6.539) 6.559 25.824 ( 4.506 0.000 8.056) 9.231 27.010 ( 0.019 0.000 1.446) 1.446 27.298 ( -5.695 0.000 5.157) 7.683 27.370 ( 2.868 0.000 -8.188) 8.675 28.038 ( -11.275 0.000 -16.736) 20.180 29.042 ( 1.181 0.000 4.035) 4.204 29.487 ( -1.682 0.000 0.719) 1.829 29.636 ( 1.123 0.000 -2.942) 3.149 29.901 ( 10.311 0.000 -13.196) 16.747 ======================= Grid point 94 (44/104) ======================= q-point: (-0.50 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.659 ( -23.772 0.000 -1.793) 23.840 1.769 ( -26.008 0.000 4.263) 26.355 2.104 ( 13.932 0.000 13.559) 19.441 2.410 ( 9.907 0.000 12.457) 15.916 2.599 ( -7.624 0.000 5.931) 9.659 2.674 ( -4.593 0.000 1.562) 4.851 2.811 ( -9.479 0.000 -0.063) 9.479 2.940 ( -8.630 0.000 -11.705) 14.542 3.095 ( -2.969 0.000 3.155) 4.332 3.197 ( 3.075 0.000 -1.648) 3.489 3.329 ( -6.566 0.000 -13.490) 15.003 3.468 ( -10.360 0.000 9.673) 14.174 3.569 ( 6.717 0.000 -5.873) 8.923 3.715 ( -2.201 0.000 -3.252) 3.926 3.758 ( -14.315 0.000 9.800) 17.348 3.907 ( 3.784 0.000 -0.339) 3.800 3.953 ( 4.487 0.000 -8.643) 9.738 4.263 ( 8.173 0.000 16.965) 18.832 4.424 ( -2.507 0.000 -2.153) 3.305 4.616 ( 0.699 0.000 4.955) 5.004 4.676 ( 7.731 0.000 7.243) 10.594 4.912 ( -3.463 0.000 -4.140) 5.398 4.972 ( 3.586 0.000 0.422) 3.611 5.136 ( 3.012 0.000 -5.580) 6.341 5.380 ( 3.252 0.000 9.519) 10.059 5.485 ( 3.740 0.000 6.108) 7.163 5.771 ( -0.113 0.000 11.461) 11.462 5.838 ( 4.851 0.000 -4.458) 6.588 5.939 ( 2.322 0.000 4.992) 5.506 6.132 ( -7.341 0.000 -7.578) 10.551 6.204 ( 0.510 0.000 1.930) 1.996 6.380 ( 6.306 0.000 1.526) 6.488 6.417 ( -1.848 0.000 4.140) 4.534 6.702 ( 4.151 0.000 -1.959) 4.590 7.181 ( -10.186 0.000 -8.398) 13.202 7.220 ( 0.815 0.000 1.248) 1.491 7.452 ( 3.688 0.000 -12.561) 13.091 7.489 ( 3.006 0.000 1.283) 3.268 7.584 ( 3.926 0.000 2.138) 4.470 7.719 ( 0.765 0.000 4.601) 4.664 7.731 ( 2.423 0.000 -3.722) 4.441 7.919 ( -0.167 0.000 -1.142) 1.154 8.103 ( -1.716 0.000 -3.425) 3.831 8.203 ( -2.543 0.000 -4.199) 4.909 8.231 ( 16.520 0.000 5.710) 17.479 8.400 ( 3.669 0.000 1.670) 4.032 8.586 ( -4.942 0.000 -2.236) 5.424 8.983 ( -9.548 0.000 -13.402) 16.455 9.824 ( 1.298 0.000 7.287) 7.401 9.998 ( -3.909 0.000 3.387) 5.172 10.200 ( -1.728 0.000 3.147) 3.590 10.484 ( 2.171 0.000 6.313) 6.676 10.568 ( 5.918 0.000 -1.926) 6.224 10.726 ( -6.769 0.000 3.772) 7.749 10.914 ( -2.829 0.000 -0.768) 2.931 11.077 ( -5.069 0.000 1.055) 5.177 11.243 ( -5.617 0.000 -5.990) 8.212 11.610 ( 8.402 0.000 -6.735) 10.768 11.764 ( 2.852 0.000 16.117) 16.367 11.970 ( -5.078 0.000 -6.749) 8.446 12.034 ( -9.346 0.000 -17.776) 20.083 12.163 ( 15.696 0.000 -2.146) 15.842 12.695 ( 4.291 0.000 3.707) 5.670 12.915 ( 11.774 0.000 1.554) 11.876 13.375 ( -10.374 0.000 -0.061) 10.374 13.621 ( 4.297 0.000 -3.114) 5.307 13.626 ( -1.798 0.000 -3.220) 3.688 13.794 ( 0.132 0.000 -0.433) 0.453 13.838 ( -5.827 0.000 -3.810) 6.962 14.450 ( 4.872 0.000 15.326) 16.082 14.518 ( -6.306 0.000 -5.823) 8.583 14.865 ( 5.199 0.000 0.153) 5.201 15.262 ( -1.544 0.000 -2.004) 2.530 15.411 ( -2.462 0.000 -5.519) 6.044 15.548 ( 0.681 0.000 -1.539) 1.683 15.679 ( -7.924 0.000 -4.196) 8.966 15.879 ( -5.615 0.000 1.972) 5.952 16.075 ( 3.519 0.000 -3.329) 4.844 16.443 ( -0.177 0.000 3.824) 3.828 16.505 ( 4.135 0.000 5.686) 7.031 25.087 ( -4.117 0.000 1.940) 4.551 25.103 ( 1.368 0.000 3.122) 3.408 25.108 ( 1.998 0.000 0.302) 2.021 25.206 ( 2.113 0.000 3.160) 3.802 25.253 ( -6.190 0.000 4.321) 7.549 25.443 ( 4.218 0.000 0.352) 4.233 25.662 ( -0.942 0.000 8.174) 8.228 26.021 ( 10.634 0.000 17.025) 20.073 27.036 ( 1.615 0.000 2.714) 3.158 27.213 ( -5.665 0.000 2.045) 6.023 27.347 ( 0.509 0.000 -11.407) 11.419 27.729 ( -11.649 0.000 -17.362) 20.908 29.073 ( -0.991 0.000 4.566) 4.672 29.478 ( 0.182 0.000 1.121) 1.136 29.618 ( -0.791 0.000 -3.204) 3.300 29.962 ( 5.276 0.000 -14.341) 15.281 ======================= Grid point 95 (45/104) ======================= q-point: (-0.33 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.255 ( -19.044 0.000 16.550) 25.230 1.366 ( -22.671 0.000 14.111) 26.704 2.404 ( -9.945 0.000 20.376) 22.673 2.504 ( 3.959 0.000 15.128) 15.638 2.551 ( 4.729 0.000 -4.474) 6.510 2.669 ( -3.011 0.000 -2.066) 3.652 2.690 ( -0.436 0.000 3.817) 3.842 2.762 ( -0.124 0.000 -2.545) 2.548 3.068 ( 0.109 0.000 -1.394) 1.398 3.138 ( -4.192 0.000 -12.830) 13.498 3.266 ( 2.631 0.000 -6.614) 7.118 3.373 ( -3.863 0.000 17.449) 17.872 3.593 ( -2.627 0.000 -1.187) 2.883 3.620 ( -8.591 0.000 9.947) 13.143 3.693 ( 5.759 0.000 -11.969) 13.283 3.989 ( 4.474 0.000 -7.286) 8.551 3.995 ( 3.177 0.000 1.929) 3.716 4.375 ( -2.375 0.000 1.898) 3.041 4.470 ( 5.975 0.000 8.291) 10.220 4.610 ( -2.872 0.000 1.702) 3.338 4.836 ( 5.886 0.000 2.175) 6.275 4.862 ( 0.230 0.000 0.056) 0.237 5.042 ( 5.022 0.000 -2.644) 5.676 5.160 ( 1.921 0.000 -4.736) 5.110 5.479 ( 1.921 0.000 4.056) 4.488 5.586 ( 2.757 0.000 7.855) 8.325 5.792 ( -4.729 0.000 8.807) 9.997 5.867 ( -5.142 0.000 3.991) 6.509 5.987 ( -0.269 0.000 4.263) 4.272 5.999 ( 3.699 0.000 -13.450) 13.950 6.226 ( 0.699 0.000 3.837) 3.901 6.421 ( 0.557 0.000 -0.095) 0.565 6.527 ( 7.517 0.000 3.047) 8.111 6.802 ( 6.995 0.000 -1.312) 7.117 6.923 ( -11.995 0.000 -5.229) 13.086 7.242 ( -6.559 0.000 8.345) 10.614 7.289 ( -5.503 0.000 -10.672) 12.008 7.506 ( -1.620 0.000 0.455) 1.682 7.627 ( -2.534 0.000 -11.151) 11.435 7.724 ( 7.839 0.000 -0.069) 7.840 7.795 ( 0.181 0.000 -2.326) 2.333 7.975 ( -8.017 0.000 -9.788) 12.652 8.045 ( 9.009 0.000 9.442) 13.050 8.177 ( -1.044 0.000 7.055) 7.132 8.454 ( 4.856 0.000 -2.403) 5.418 8.534 ( 10.223 0.000 -2.232) 10.464 8.567 ( 3.433 0.000 4.825) 5.922 8.726 ( -7.059 0.000 -11.005) 13.074 9.870 ( -0.821 0.000 5.555) 5.616 9.943 ( -3.477 0.000 2.577) 4.328 10.182 ( -2.162 0.000 4.370) 4.875 10.529 ( -8.462 0.000 -0.909) 8.511 10.585 ( 3.051 0.000 7.532) 8.126 10.754 ( 6.313 0.000 2.718) 6.874 10.900 ( 2.912 0.000 -3.447) 4.512 11.019 ( -2.239 0.000 1.339) 2.609 11.102 ( -4.871 0.000 -8.859) 10.109 11.662 ( -2.017 0.000 -10.181) 10.379 11.725 ( -3.106 0.000 -13.676) 14.024 11.874 ( -1.735 0.000 -2.783) 3.280 12.076 ( 13.818 0.000 16.465) 21.495 12.366 ( 6.853 0.000 -3.183) 7.556 12.775 ( 2.107 0.000 2.483) 3.257 13.046 ( -1.139 0.000 -2.730) 2.958 13.157 ( -4.659 0.000 -1.464) 4.883 13.572 ( -2.835 0.000 -1.194) 3.076 13.705 ( 6.272 0.000 1.186) 6.383 13.761 ( 0.811 0.000 -8.340) 8.380 13.921 ( 8.105 0.000 7.665) 11.155 14.341 ( -7.238 0.000 -8.201) 10.938 14.658 ( 8.890 0.000 14.942) 17.386 14.936 ( 2.700 0.000 -1.897) 3.299 15.233 ( -0.425 0.000 0.752) 0.864 15.281 ( -6.271 0.000 -8.681) 10.709 15.517 ( -7.676 0.000 -1.222) 7.773 15.575 ( 0.759 0.000 1.382) 1.577 15.812 ( -2.331 0.000 1.544) 2.795 16.117 ( 3.153 0.000 -3.594) 4.781 16.406 ( -6.064 0.000 3.130) 6.824 16.581 ( 0.602 0.000 4.362) 4.404 25.046 ( -1.758 0.000 1.814) 2.526 25.133 ( -1.496 0.000 3.737) 4.026 25.146 ( -0.424 0.000 -0.906) 1.000 25.177 ( -0.700 0.000 3.628) 3.695 25.241 ( -0.682 0.000 2.868) 2.948 25.496 ( 2.888 0.000 -2.051) 3.543 25.673 ( -3.457 0.000 8.607) 9.275 26.439 ( 22.330 0.000 16.711) 27.891 27.100 ( 1.777 0.000 4.512) 4.849 27.134 ( -2.661 0.000 0.951) 2.826 27.210 ( -7.415 0.000 -14.631) 16.403 27.453 ( -7.214 0.000 -9.461) 11.898 29.060 ( -3.230 0.000 4.718) 5.718 29.502 ( 1.368 0.000 1.342) 1.916 29.582 ( -1.010 0.000 -2.608) 2.797 29.907 ( -1.620 0.000 -16.507) 16.586 ======================= Grid point 96 (46/104) ======================= q-point: (-0.17 0.00 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.192 ( -9.147 0.000 28.054) 29.508 1.243 ( -3.153 0.000 34.241) 34.386 2.232 ( -19.656 0.000 45.901) 49.933 2.628 ( 9.578 0.000 -7.545) 12.193 2.664 ( 4.972 0.000 -0.075) 4.973 2.742 ( 8.284 0.000 1.008) 8.345 2.752 ( 7.599 0.000 3.746) 8.472 2.826 ( 0.430 0.000 5.065) 5.083 3.046 ( 1.636 0.000 -9.700) 9.837 3.079 ( 1.302 0.000 -2.160) 2.523 3.208 ( -1.661 0.000 -3.507) 3.881 3.423 ( -7.550 0.000 10.094) 12.605 3.504 ( -5.894 0.000 -0.535) 5.918 3.616 ( 1.818 0.000 15.203) 15.312 3.741 ( 6.357 0.000 -11.862) 13.458 4.000 ( -1.887 0.000 -0.728) 2.022 4.024 ( 4.063 0.000 -6.966) 8.065 4.398 ( 2.374 0.000 5.791) 6.259 4.547 ( -4.253 0.000 0.565) 4.290 4.555 ( 1.169 0.000 -0.576) 1.304 4.912 ( 1.250 0.000 0.288) 1.283 4.924 ( 4.358 0.000 4.605) 6.340 5.093 ( 2.926 0.000 -7.674) 8.213 5.135 ( -0.955 0.000 -5.889) 5.966 5.477 ( -3.352 0.000 -2.287) 4.058 5.663 ( -0.209 0.000 9.541) 9.543 5.713 ( -8.233 0.000 5.957) 10.162 5.777 ( -3.181 0.000 4.108) 5.195 5.983 ( -2.427 0.000 3.129) 3.960 6.058 ( 7.255 0.000 -8.614) 11.262 6.267 ( -1.201 0.000 4.512) 4.669 6.418 ( 1.187 0.000 -4.809) 4.954 6.664 ( 7.500 0.000 -3.391) 8.230 6.751 ( -2.625 0.000 -1.350) 2.951 6.821 ( -8.650 0.000 -7.440) 11.410 7.011 ( -4.746 0.000 -1.271) 4.913 7.245 ( -7.101 0.000 2.802) 7.634 7.464 ( -2.052 0.000 -1.826) 2.747 7.485 ( -4.102 0.000 -12.717) 13.362 7.752 ( -8.877 0.000 -4.857) 10.119 7.797 ( 2.759 0.000 -3.945) 4.814 7.888 ( 7.871 0.000 -0.671) 7.899 8.171 ( -3.766 0.000 2.892) 4.748 8.182 ( -2.850 0.000 3.697) 4.668 8.502 ( 5.121 0.000 1.686) 5.391 8.640 ( 11.815 0.000 -3.098) 12.214 8.644 ( -0.207 0.000 4.153) 4.158 8.825 ( 13.714 0.000 -3.215) 14.086 9.854 ( -3.237 0.000 3.699) 4.916 9.918 ( -0.565 0.000 1.656) 1.750 10.177 ( -1.545 0.000 4.376) 4.641 10.344 ( -10.380 0.000 1.422) 10.476 10.660 ( 0.530 0.000 6.958) 6.978 10.903 ( 8.283 0.000 3.540) 9.007 10.969 ( 6.180 0.000 -4.875) 7.871 10.976 ( -2.971 0.000 -5.944) 6.645 11.009 ( -0.259 0.000 4.521) 4.529 11.444 ( -10.050 0.000 -1.203) 10.121 11.736 ( 6.149 0.000 -13.331) 14.681 11.873 ( 0.576 0.000 3.319) 3.368 12.366 ( -1.914 0.000 -8.040) 8.265 12.378 ( 10.626 0.000 -5.000) 11.743 12.780 ( -1.804 0.000 -2.920) 3.433 12.963 ( -0.922 0.000 5.258) 5.338 13.183 ( 3.401 0.000 -8.441) 9.100 13.537 ( -1.828 0.000 9.218) 9.398 13.691 ( -4.730 0.000 -5.761) 7.454 13.879 ( 11.679 0.000 -1.065) 11.728 14.087 ( 3.232 0.000 9.648) 10.175 14.255 ( 3.688 0.000 -4.009) 5.447 14.913 ( 5.014 0.000 -1.420) 5.211 14.915 ( -2.412 0.000 -5.801) 6.283 15.140 ( 0.742 0.000 4.011) 4.079 15.284 ( 3.563 0.000 4.469) 5.715 15.402 ( -4.385 0.000 2.290) 4.947 15.574 ( -1.607 0.000 3.819) 4.144 15.819 ( 2.026 0.000 0.309) 2.050 16.146 ( 2.425 0.000 -3.419) 4.192 16.285 ( -8.346 0.000 3.837) 9.186 16.571 ( -3.676 0.000 1.666) 4.036 25.043 ( 0.153 0.000 1.651) 1.658 25.062 ( -4.328 0.000 0.857) 4.412 25.144 ( -0.980 0.000 1.680) 1.945 25.215 ( -3.104 0.000 1.461) 3.431 25.245 ( 3.528 0.000 2.997) 4.629 25.541 ( 2.886 0.000 0.002) 2.886 25.642 ( -5.107 0.000 7.684) 9.226 26.420 ( -24.970 0.000 -24.347) 34.875 27.064 ( -2.718 0.000 0.442) 2.754 27.212 ( 3.538 0.000 7.530) 8.319 27.354 ( -0.639 0.000 -5.544) 5.581 27.504 ( 41.760 0.000 19.634) 46.146 29.022 ( -3.613 0.000 4.319) 5.631 29.531 ( 0.798 0.000 1.189) 1.432 29.551 ( -1.263 0.000 -3.112) 3.359 29.720 ( -7.139 0.000 -12.715) 14.582 ======================= Grid point 97 (47/104) ======================= q-point: ( 0.00 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 3.700 -8.473 33.147) 34.412 1.436 ( -10.141 9.880 27.172) 30.639 2.548 ( 2.949 3.597 22.436) 22.913 2.666 ( -9.072 -4.082 1.794) 10.109 2.723 ( 2.093 0.222 15.710) 15.850 2.780 ( 6.999 -6.400 -2.420) 9.787 2.905 ( 7.462 1.161 -4.362) 8.721 2.952 ( 2.899 1.107 -2.877) 4.231 3.082 ( 5.741 -0.856 -2.402) 6.282 3.116 ( 8.372 8.099 2.376) 11.889 3.194 ( -3.653 1.616 1.303) 4.202 3.257 ( 0.541 -9.283 -0.133) 9.300 3.349 ( -8.575 3.148 6.658) 11.304 3.678 ( 2.703 -4.287 1.315) 5.236 3.735 ( -2.257 2.897 13.935) 14.410 3.909 ( -1.269 -7.404 -1.287) 7.622 4.167 ( 3.505 7.074 -11.419) 13.882 4.402 ( -6.475 -0.483 -1.695) 6.711 4.632 ( 2.819 9.623 6.804) 12.118 4.671 ( 1.512 2.879 -7.562) 8.232 4.821 ( -6.987 -0.775 -2.799) 7.566 5.020 ( 1.082 -0.925 -3.862) 4.116 5.107 ( 2.279 6.600 2.645) 7.467 5.221 ( 0.927 10.321 -5.868) 11.909 5.319 ( -7.770 1.329 -0.180) 7.885 5.543 ( -6.357 -5.630 4.728) 9.719 5.670 ( -5.768 -0.261 0.549) 5.800 5.744 ( -0.119 -4.419 4.176) 6.081 5.873 ( -3.944 -4.370 5.817) 8.276 6.100 ( 0.080 -2.546 3.802) 4.577 6.234 ( 1.956 -1.262 -5.210) 5.706 6.395 ( 3.734 -0.582 -3.250) 4.985 6.572 ( -8.349 0.109 -6.995) 10.893 6.671 ( 4.619 -8.691 -4.193) 10.698 6.919 ( -3.718 4.679 -2.806) 6.603 7.043 ( 9.213 6.422 -1.100) 11.284 7.120 ( 1.040 -0.370 1.083) 1.547 7.383 ( 1.498 0.677 -4.796) 5.070 7.528 ( 0.968 6.390 2.918) 7.091 7.643 ( -0.319 2.101 -8.473) 8.735 7.787 ( -2.448 -3.716 -3.084) 5.414 7.960 ( -5.179 3.810 -2.003) 6.734 8.066 ( -0.863 4.868 -4.652) 6.789 8.221 ( -0.502 3.679 5.151) 6.350 8.527 ( -3.362 -3.920 -0.372) 5.178 8.621 ( 1.478 -4.413 -1.306) 4.833 8.785 ( 1.250 -5.699 0.078) 5.835 8.934 ( 10.987 0.656 -0.843) 11.039 9.820 ( -3.656 0.161 3.437) 5.020 9.947 ( -0.078 1.364 0.828) 1.598 10.200 ( -6.255 2.551 -0.169) 6.757 10.368 ( 7.461 7.609 -2.379) 10.919 10.573 ( -2.462 -7.816 2.407) 8.541 10.942 ( 2.954 -4.804 1.410) 5.813 11.027 ( -0.120 2.194 -2.886) 3.628 11.103 ( 7.746 -0.070 5.467) 9.481 11.138 ( 5.963 4.325 8.425) 11.192 11.396 ( -2.283 5.457 1.284) 6.053 11.634 ( -2.817 -6.784 -4.140) 8.432 11.989 ( -0.349 7.137 -2.237) 7.487 12.137 ( 0.804 -11.234 -7.323) 13.434 12.358 ( -0.096 -6.269 -13.662) 15.033 12.656 ( -5.545 -1.854 -8.085) 9.978 12.945 ( -8.708 -7.916 -14.729) 18.853 13.116 ( 9.223 3.176 4.548) 10.763 13.518 ( -2.712 -4.244 1.217) 5.181 13.673 ( 0.792 2.544 9.033) 9.418 14.087 ( 1.453 2.001 6.931) 7.359 14.160 ( 7.699 0.155 2.989) 8.260 14.242 ( -4.467 -9.984 5.390) 12.194 14.528 ( -3.612 -4.823 -1.074) 6.121 14.963 ( -1.644 5.022 -5.331) 7.506 15.189 ( 8.894 -9.010 8.712) 15.368 15.435 ( -8.084 7.703 -4.919) 12.202 15.521 ( 2.446 4.277 2.462) 5.508 15.748 ( 4.022 6.953 -0.568) 8.052 15.910 ( 7.664 1.331 1.455) 7.913 16.147 ( 2.333 -0.142 -0.417) 2.375 16.231 ( -2.438 2.109 0.720) 3.303 16.457 ( -6.551 -1.652 -0.691) 6.791 25.010 ( -1.069 0.166 0.387) 1.149 25.078 ( 0.798 1.064 -0.348) 1.375 25.119 ( -1.993 -0.278 2.371) 3.109 25.208 ( -1.176 1.939 2.377) 3.285 25.315 ( 2.157 -0.341 4.293) 4.817 25.563 ( -5.473 -1.892 1.650) 6.021 25.572 ( -1.104 -2.009 5.661) 6.107 25.729 ( -14.079 -6.723 1.577) 15.682 27.059 ( -2.227 2.641 -0.743) 3.533 27.276 ( 1.409 -2.565 7.899) 8.424 27.312 ( 1.195 -2.324 -4.414) 5.129 27.949 ( 15.076 -18.608 0.734) 23.960 29.155 ( -2.207 3.802 -6.891) 8.174 29.325 ( 1.994 -9.155 -2.902) 9.808 29.748 ( 6.332 17.489 -4.585) 19.157 29.832 ( 1.499 12.455 -3.457) 13.012 ======================= Grid point 98 (48/104) ======================= q-point: ( 0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.404 ( -2.201 1.611 27.658) 27.792 1.615 ( 12.348 -3.850 27.172) 30.093 2.412 ( -17.768 -9.139 -0.619) 19.990 2.619 ( -4.884 -5.374 2.033) 7.542 2.740 ( -7.597 -3.259 -3.769) 9.085 2.841 ( 1.095 1.424 2.566) 3.132 2.955 ( -0.051 -3.663 -0.960) 3.788 3.070 ( 6.375 -8.247 -0.416) 10.432 3.088 ( -0.734 2.983 5.186) 6.028 3.189 ( -1.590 0.430 -2.644) 3.115 3.253 ( 7.291 2.044 -4.599) 8.859 3.355 ( 5.613 10.324 19.839) 23.058 3.409 ( 8.310 -1.734 7.912) 11.604 3.685 ( -2.632 -3.506 12.041) 12.815 3.740 ( -2.926 -1.463 1.753) 3.712 3.875 ( -2.290 -9.646 -3.373) 10.473 4.198 ( 5.599 4.954 -9.098) 11.776 4.330 ( 0.526 1.546 5.297) 5.543 4.500 ( -13.819 0.143 -9.008) 16.496 4.656 ( -9.441 7.644 0.860) 12.178 4.704 ( -0.065 9.987 5.305) 11.309 5.032 ( 1.468 4.454 -2.826) 5.475 5.098 ( -0.421 5.534 -6.534) 8.573 5.236 ( 1.915 6.999 -0.249) 7.260 5.247 ( -2.851 1.305 2.206) 3.834 5.440 ( -4.390 2.431 0.482) 5.041 5.608 ( -1.139 -1.252 4.632) 4.932 5.760 ( -0.951 -4.537 3.857) 6.031 5.831 ( -3.221 -3.968 5.372) 7.414 6.119 ( -0.923 -2.407 4.328) 5.037 6.263 ( 3.441 -2.821 -4.989) 6.684 6.398 ( -0.479 2.433 -4.817) 5.418 6.484 ( -0.200 1.483 -1.351) 2.016 6.722 ( -5.456 -2.056 -3.286) 6.693 6.841 ( 11.488 -7.865 -5.494) 14.967 7.140 ( 2.699 -3.007 -3.105) 5.096 7.299 ( 12.393 5.494 2.030) 13.707 7.426 ( 5.806 3.545 -1.615) 6.991 7.542 ( 1.175 8.445 -3.786) 9.329 7.632 ( -0.503 1.279 -2.839) 3.155 7.729 ( -5.926 0.436 -4.417) 7.404 7.812 ( 2.927 -0.798 0.991) 3.192 8.114 ( 3.160 8.782 -0.552) 9.349 8.257 ( 1.129 1.489 2.828) 3.390 8.356 ( -12.621 0.541 -4.278) 13.337 8.577 ( -4.298 -4.589 -5.829) 8.574 8.756 ( -2.285 -0.419 -2.759) 3.607 9.089 ( 6.547 -4.342 -2.755) 8.326 9.775 ( -3.206 1.178 4.080) 5.321 9.979 ( 1.754 0.128 3.123) 3.585 10.132 ( -1.597 -0.244 2.738) 3.179 10.457 ( 3.251 4.842 -2.110) 6.202 10.532 ( -3.362 -5.805 2.262) 7.079 10.968 ( -5.765 1.687 0.095) 6.007 10.977 ( -0.546 -3.186 2.941) 4.370 11.256 ( 2.660 1.120 4.937) 5.719 11.273 ( 0.973 3.489 6.123) 7.114 11.450 ( 7.517 -4.758 -0.588) 8.915 11.541 ( -1.956 -2.999 -1.173) 3.768 11.937 ( 0.290 8.629 -6.618) 10.879 12.138 ( 1.682 -10.256 -5.189) 11.616 12.357 ( 7.359 -11.093 -9.293) 16.235 12.488 ( -6.242 -1.623 -8.840) 10.943 12.673 ( -10.562 -3.856 -9.744) 14.878 13.299 ( 8.585 5.418 1.960) 10.339 13.478 ( -0.164 -2.778 0.233) 2.792 13.763 ( -1.297 -1.224 8.919) 9.095 14.087 ( -6.435 0.353 6.062) 8.848 14.134 ( -5.476 -10.352 6.794) 13.539 14.220 ( -3.962 3.220 -1.630) 5.359 14.598 ( 8.676 0.903 1.931) 8.934 14.879 ( -0.234 8.442 -10.310) 13.327 15.219 ( -7.547 -2.364 1.234) 8.004 15.435 ( 6.233 -2.412 4.287) 7.940 15.553 ( -0.307 0.052 0.707) 0.773 15.783 ( 1.668 2.948 -2.504) 4.212 16.044 ( 2.996 1.756 1.527) 3.793 16.183 ( -1.367 0.731 -4.617) 4.871 16.225 ( 4.820 1.311 3.789) 6.270 16.376 ( -0.529 2.103 -0.475) 2.220 25.016 ( 1.325 0.367 0.455) 1.449 25.088 ( -0.225 -0.142 0.756) 0.801 25.114 ( 0.800 1.039 0.728) 1.500 25.234 ( 1.955 0.321 4.456) 4.876 25.346 ( -3.705 -0.262 4.390) 5.750 25.380 ( -9.558 1.450 3.961) 10.447 25.585 ( -0.747 0.231 6.447) 6.494 25.689 ( 2.321 -3.433 3.301) 5.298 27.032 ( -0.940 1.873 0.528) 2.161 27.281 ( -2.015 -4.490 -0.099) 4.922 27.349 ( 1.838 -1.421 2.338) 3.296 28.064 ( 1.092 -18.386 -8.598) 20.326 29.029 ( -5.205 0.988 -1.510) 5.509 29.351 ( 0.862 -10.159 -2.091) 10.408 29.800 ( 2.547 15.115 -3.961) 15.832 29.932 ( 10.324 12.131 -8.220) 17.926 ======================= Grid point 99 (49/104) ======================= q-point: ( 0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.604 ( 6.989 -1.619 18.873) 20.190 1.992 ( 2.224 -12.432 16.744) 20.973 2.066 ( -8.914 -3.329 5.911) 11.202 2.367 ( -20.935 6.743 -0.785) 22.008 2.599 ( -6.088 -13.146 -1.956) 14.618 2.791 ( -4.771 5.734 0.404) 7.470 2.952 ( 0.761 -1.923 -6.391) 6.718 3.083 ( -2.481 -8.017 -5.887) 10.251 3.106 ( -0.277 0.270 3.004) 3.029 3.177 ( 1.492 1.353 -2.097) 2.907 3.331 ( 5.944 -3.287 -6.578) 9.455 3.459 ( -2.716 -3.056 3.165) 5.171 3.570 ( 0.663 2.956 4.847) 5.716 3.688 ( -1.556 -6.072 0.207) 6.271 3.754 ( -3.121 -1.985 0.286) 3.709 3.892 ( 5.079 -4.008 21.461) 22.415 4.153 ( -13.685 5.311 1.402) 14.746 4.254 ( 2.615 11.895 -8.891) 15.079 4.435 ( 2.045 2.057 4.239) 5.136 4.556 ( -0.166 4.175 7.251) 8.369 4.692 ( -3.660 9.549 4.068) 11.005 5.022 ( -4.093 6.272 -2.798) 7.995 5.044 ( 0.866 4.026 -4.981) 6.463 5.141 ( -1.912 -1.175 -5.573) 6.008 5.329 ( 4.024 3.756 6.786) 8.737 5.454 ( 2.470 5.922 2.881) 7.034 5.662 ( 2.636 1.567 5.784) 6.546 5.770 ( -0.350 -4.582 4.766) 6.621 5.832 ( -0.550 -3.862 4.726) 6.128 6.133 ( -0.075 -3.357 4.004) 5.226 6.283 ( 2.068 -1.294 -5.935) 6.417 6.347 ( -1.770 3.261 -1.928) 4.181 6.480 ( -0.598 4.278 0.153) 4.322 6.637 ( -0.381 -2.516 -2.304) 3.433 7.053 ( 10.029 -11.282 -3.528) 15.502 7.190 ( 8.435 -5.232 -8.455) 13.039 7.411 ( 0.784 5.153 -2.796) 5.915 7.485 ( -0.761 3.914 -3.998) 5.647 7.548 ( 0.107 -1.126 -5.392) 5.509 7.626 ( 2.732 3.667 5.277) 6.982 7.751 ( 10.159 0.354 2.313) 10.425 7.939 ( 4.381 0.192 5.130) 6.749 8.069 ( -10.497 2.952 -7.087) 13.005 8.138 ( -0.642 3.887 0.999) 4.064 8.287 ( 0.347 1.037 -3.245) 3.424 8.466 ( -2.071 3.849 -5.189) 6.784 8.688 ( -3.420 -1.083 -1.722) 3.980 9.103 ( -1.821 -6.024 -7.490) 9.783 9.779 ( 0.246 2.144 6.543) 6.890 10.020 ( 0.356 0.121 2.637) 2.664 10.158 ( 0.811 -0.238 4.243) 4.326 10.438 ( -3.156 -2.126 3.028) 4.863 10.542 ( 3.208 2.486 0.263) 4.067 10.841 ( -7.613 0.347 0.218) 7.624 10.946 ( -4.624 -3.030 2.367) 6.014 11.161 ( -7.592 -3.526 -0.210) 8.374 11.361 ( 2.859 3.947 1.544) 5.112 11.492 ( -1.099 -3.859 -7.544) 8.545 11.623 ( 5.857 -1.002 9.847) 11.501 11.985 ( 7.787 7.098 -1.895) 10.706 12.116 ( 0.086 -5.048 -11.239) 12.321 12.285 ( -7.345 -2.577 -16.349) 18.107 12.433 ( 3.342 -10.912 3.407) 11.910 12.641 ( 9.618 -5.114 1.029) 10.942 13.441 ( 4.341 4.626 2.995) 7.015 13.492 ( 0.875 -5.078 -1.030) 5.255 13.698 ( -7.010 -1.372 2.243) 7.487 13.947 ( -7.561 1.601 -2.076) 8.003 14.067 ( -8.401 3.426 -3.495) 9.722 14.185 ( 0.953 -4.375 12.016) 12.823 14.712 ( 1.712 -2.847 -6.369) 7.183 14.858 ( 2.957 14.857 -0.301) 15.151 15.140 ( -1.205 -8.688 -0.478) 8.784 15.512 ( 0.081 -0.846 1.784) 1.976 15.533 ( -1.175 -1.854 -0.672) 2.296 15.768 ( -2.008 0.728 -2.146) 3.028 16.062 ( 0.548 0.633 -3.649) 3.744 16.097 ( -3.176 6.460 -4.471) 8.475 16.363 ( 5.531 1.187 5.754) 8.070 16.427 ( 4.063 2.466 2.527) 5.382 25.055 ( 2.268 0.320 0.981) 2.492 25.085 ( -0.494 -0.075 2.025) 2.086 25.155 ( 2.882 1.061 0.780) 3.168 25.216 ( -7.061 2.997 2.190) 7.977 25.320 ( 4.133 -1.355 4.217) 6.058 25.331 ( -4.664 0.658 5.584) 7.305 25.625 ( 0.368 0.236 5.928) 5.944 25.775 ( 3.630 -4.598 7.754) 9.718 27.031 ( 0.287 1.911 1.427) 2.402 27.223 ( -3.818 -5.195 -0.742) 6.490 27.385 ( 1.403 -0.062 -0.409) 1.463 27.931 ( -7.117 -9.983 -13.811) 18.468 28.987 ( -0.348 -3.351 2.619) 4.268 29.339 ( -0.567 -10.577 -1.209) 10.661 29.807 ( 0.765 13.722 -4.108) 14.344 30.039 ( 7.417 9.808 -10.389) 16.098 ======================= Grid point 100 (50/104) ======================= q-point: (-0.50 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.528 ( -21.284 -7.969 7.081) 23.805 1.862 ( -21.145 3.183 3.695) 21.700 2.080 ( 6.247 -2.690 12.019) 13.810 2.364 ( 11.310 -1.786 12.360) 16.849 2.511 ( -1.473 -9.392 -0.500) 9.520 2.721 ( -2.953 5.781 0.504) 6.511 2.846 ( -7.865 5.888 -2.071) 10.040 3.051 ( -1.919 1.510 -4.969) 5.537 3.098 ( 1.786 -4.216 -3.335) 5.665 3.161 ( -0.676 5.000 -0.754) 5.101 3.307 ( -9.185 -1.462 -11.933) 15.129 3.384 ( -1.140 -8.367 -1.127) 8.519 3.515 ( -3.348 -1.731 3.546) 5.175 3.664 ( -3.281 -3.925 -0.612) 5.153 3.754 ( 1.694 -4.724 -0.535) 5.047 3.804 ( -11.773 4.955 10.338) 16.432 4.223 ( 5.096 10.244 -0.784) 11.468 4.299 ( 5.708 6.745 8.918) 12.554 4.478 ( 2.333 4.884 1.148) 5.533 4.635 ( 0.606 0.335 4.448) 4.501 4.686 ( 1.459 2.980 7.571) 8.266 4.909 ( -3.821 0.024 -1.823) 4.234 5.065 ( 2.269 5.690 -1.256) 6.253 5.146 ( 4.560 2.686 -5.473) 7.613 5.430 ( 1.649 1.571 8.548) 8.846 5.530 ( 4.116 3.498 3.272) 6.315 5.727 ( 0.930 0.660 2.771) 2.996 5.815 ( 1.229 -4.447 6.017) 7.582 5.837 ( -3.152 -6.652 6.267) 9.668 6.160 ( 0.779 -4.295 1.769) 4.710 6.235 ( -1.336 6.900 -7.222) 10.077 6.379 ( 4.986 -0.670 -1.891) 5.375 6.457 ( -2.350 3.863 3.507) 5.722 6.685 ( 5.969 -1.015 0.935) 6.126 7.073 ( -4.998 -7.039 -3.487) 9.310 7.311 ( -1.427 3.844 -8.974) 9.866 7.325 ( 3.865 -9.657 -7.720) 12.953 7.494 ( -2.105 -1.945 -1.219) 3.115 7.531 ( 5.032 -1.384 2.788) 5.917 7.736 ( -1.724 1.563 3.384) 4.107 7.750 ( -1.389 -0.064 -1.741) 2.229 7.972 ( 2.588 4.593 -0.739) 5.323 8.047 ( 2.301 -2.000 -7.780) 8.356 8.202 ( 4.965 3.343 6.745) 9.018 8.239 ( 0.457 -1.623 -2.603) 3.101 8.497 ( 6.555 5.793 1.497) 8.875 8.623 ( -3.154 2.836 -0.741) 4.306 8.954 ( -7.451 -3.077 -12.020) 14.473 9.839 ( 1.237 1.758 6.906) 7.233 10.018 ( -1.953 2.256 1.567) 3.370 10.161 ( -2.736 -2.151 3.994) 5.298 10.449 ( 0.883 -2.104 4.517) 5.061 10.616 ( 3.245 0.481 -0.006) 3.280 10.730 ( -3.771 1.818 2.670) 4.966 10.872 ( -2.647 -2.925 -1.023) 4.076 11.052 ( -4.422 -2.482 0.631) 5.110 11.291 ( -5.230 3.934 -7.178) 9.714 11.536 ( 8.639 -5.903 -8.595) 13.541 11.757 ( 1.184 -0.732 15.757) 15.818 11.997 ( -6.891 1.814 -7.587) 10.408 12.036 ( -1.786 0.918 -14.105) 14.247 12.226 ( 11.751 2.882 -0.481) 12.109 12.563 ( 6.223 -9.824 5.982) 13.077 12.855 ( 11.093 -7.370 0.242) 13.321 13.347 ( -11.266 -4.624 -1.244) 12.241 13.563 ( 3.630 -3.952 -1.827) 5.669 13.616 ( -3.605 3.862 3.801) 6.509 13.856 ( 0.903 5.242 -2.516) 5.884 13.917 ( -3.917 4.523 -6.362) 8.734 14.272 ( 0.532 -6.892 10.524) 12.591 14.620 ( -5.583 -0.574 -5.666) 7.975 14.916 ( 1.381 1.671 -1.161) 2.459 15.158 ( 3.196 -0.792 0.615) 3.350 15.447 ( -6.189 -3.586 0.100) 7.154 15.551 ( 2.503 1.535 0.388) 2.961 15.705 ( -2.769 5.018 -2.794) 6.376 15.977 ( -4.515 4.976 -4.145) 7.895 16.087 ( 2.245 2.133 -4.746) 5.666 16.446 ( -0.454 0.794 4.622) 4.711 16.527 ( 4.261 1.906 4.357) 6.385 25.092 ( -0.187 0.752 1.718) 1.884 25.102 ( 0.808 -0.227 2.789) 2.912 25.138 ( -1.883 2.584 1.010) 3.353 25.215 ( 2.400 0.973 2.174) 3.381 25.260 ( -6.091 0.833 4.105) 7.392 25.417 ( 4.122 -2.149 1.390) 4.852 25.653 ( -1.167 -1.146 6.008) 6.227 25.922 ( 5.623 -8.794 14.026) 17.484 27.065 ( 2.252 2.346 2.997) 4.422 27.151 ( -3.083 -3.207 -0.688) 4.502 27.389 ( 0.133 1.809 -3.471) 3.916 27.684 ( -9.721 -4.466 -15.915) 19.177 29.014 ( 0.679 -4.017 3.450) 5.338 29.332 ( 0.818 -10.926 -0.895) 10.993 29.780 ( -0.938 13.110 -4.176) 13.791 30.076 ( 3.866 8.414 -11.638) 14.873 ======================= Grid point 101 (51/104) ======================= q-point: (-0.33 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.266 ( -17.018 -4.211 21.824) 27.994 1.451 ( -20.244 13.939 11.317) 27.059 2.349 ( 10.837 -10.354 6.612) 16.382 2.523 ( 1.099 0.835 7.554) 7.679 2.583 ( 3.194 1.736 4.771) 5.997 2.680 ( -5.227 11.864 5.819) 14.210 2.736 ( 2.255 -1.220 2.055) 3.286 2.905 ( -11.147 10.781 -1.415) 15.572 3.084 ( -4.293 -3.671 -11.011) 12.375 3.093 ( 1.047 2.785 -3.456) 4.560 3.198 ( 2.946 -3.394 -5.869) 7.393 3.346 ( -0.921 -4.883 8.852) 10.152 3.516 ( -4.669 0.949 5.731) 7.453 3.572 ( 1.382 -11.058 -11.407) 15.947 3.705 ( -6.173 4.808 10.561) 13.144 3.827 ( 4.292 -5.483 -0.860) 7.016 4.247 ( 2.031 12.933 -5.241) 14.101 4.461 ( 3.640 0.662 7.960) 8.778 4.509 ( -0.162 10.574 1.536) 10.686 4.614 ( -1.277 -0.823 0.602) 1.634 4.832 ( 7.453 -1.044 5.569) 9.362 4.885 ( 1.198 2.200 -0.114) 2.508 5.090 ( 0.349 2.182 0.063) 2.211 5.205 ( 5.701 5.496 -7.627) 10.995 5.477 ( -1.706 -1.249 6.543) 6.876 5.635 ( 4.300 -0.372 3.322) 5.447 5.718 ( -3.629 -1.356 3.147) 4.991 5.785 ( -5.433 -5.503 6.380) 10.025 5.869 ( 1.025 -5.764 4.452) 7.355 6.160 ( -0.612 4.488 -8.900) 9.987 6.208 ( 1.542 1.236 3.432) 3.960 6.385 ( -1.585 -1.420 -1.622) 2.676 6.530 ( 6.640 -0.986 1.817) 6.954 6.832 ( 5.101 0.829 0.088) 5.169 6.899 ( -5.296 -0.712 -3.074) 6.165 7.207 ( -10.920 -7.040 -7.611) 15.058 7.263 ( -1.923 0.681 1.043) 2.291 7.451 ( -1.602 -3.876 0.620) 4.240 7.596 ( -4.641 -2.496 -8.747) 10.212 7.670 ( 6.725 -4.066 3.275) 8.513 7.788 ( -1.704 -1.762 -0.652) 2.536 7.985 ( -0.950 -0.039 -8.427) 8.480 8.085 ( 7.190 4.610 3.376) 9.184 8.212 ( 0.896 2.872 2.850) 4.144 8.409 ( 7.978 -1.143 4.980) 9.473 8.558 ( -1.498 3.847 0.401) 4.148 8.649 ( 4.605 3.124 -0.252) 5.570 8.741 ( -5.489 1.294 -9.739) 11.254 9.882 ( -1.075 1.443 5.070) 5.380 9.984 ( -1.895 3.807 1.428) 4.486 10.157 ( 0.748 -0.894 2.986) 3.205 10.439 ( -5.018 -5.071 1.726) 7.340 10.624 ( -1.245 -1.290 4.772) 5.097 10.779 ( 4.701 1.214 1.004) 4.958 10.870 ( 4.091 -0.394 -3.342) 5.297 11.006 ( -1.545 -0.493 1.348) 2.109 11.166 ( -3.439 4.738 -8.060) 9.962 11.614 ( 5.339 -5.169 -10.820) 13.126 11.717 ( -9.491 0.549 -8.425) 12.703 11.912 ( 2.004 0.895 3.781) 4.371 12.053 ( 6.914 1.050 2.735) 7.509 12.407 ( 6.369 0.819 -0.393) 6.433 12.691 ( 4.048 -6.536 4.281) 8.800 12.976 ( 0.389 -6.841 -0.415) 6.865 13.159 ( -3.760 -1.730 -5.349) 6.763 13.502 ( -4.477 -3.542 0.548) 5.735 13.693 ( 6.288 -0.038 3.019) 6.976 13.845 ( 1.048 5.433 -8.737) 10.342 13.948 ( 5.570 2.896 5.481) 8.333 14.291 ( -2.385 -3.490 -2.593) 4.959 14.534 ( -1.600 -8.453 9.827) 13.061 14.876 ( -3.207 -7.090 -5.020) 9.261 15.260 ( 6.215 6.731 3.399) 9.771 15.321 ( -7.201 -0.545 -0.275) 7.227 15.606 ( 2.238 3.493 1.297) 4.346 15.649 ( -1.110 9.184 -3.415) 9.861 15.883 ( -3.178 5.730 -2.928) 7.177 16.098 ( 2.191 -1.470 -4.656) 5.351 16.409 ( -5.977 0.465 3.681) 7.035 16.597 ( 0.334 1.102 3.088) 3.296 25.066 ( -2.183 1.836 1.688) 3.314 25.137 ( -0.627 -0.162 3.474) 3.534 25.147 ( -0.398 0.089 -0.395) 0.568 25.183 ( -1.920 1.274 3.442) 4.142 25.252 ( -0.133 1.006 2.030) 2.269 25.478 ( 2.823 -1.656 -0.959) 3.411 25.655 ( -3.074 -1.858 7.249) 8.090 26.111 ( 3.914 -22.657 11.889) 25.884 27.103 ( 0.417 -1.195 1.622) 2.057 27.181 ( 4.919 4.357 5.957) 8.869 27.346 ( -0.921 7.725 -7.118) 10.545 27.431 ( -7.259 -1.968 -10.081) 12.578 29.047 ( 1.483 -1.347 1.902) 2.762 29.355 ( 1.921 -10.848 -1.249) 11.087 29.734 ( -1.322 12.747 -3.312) 13.236 30.032 ( -0.872 8.977 -13.039) 15.854 ======================= Grid point 102 (52/104) ======================= q-point: (-0.17 0.14 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.093 ( -12.502 -5.344 27.070) 30.292 1.417 ( -4.454 14.807 28.185) 32.148 2.427 ( -11.596 13.513 31.245) 35.962 2.568 ( 9.381 -7.261 2.004) 12.031 2.700 ( -1.236 4.413 -1.810) 4.927 2.740 ( 5.551 -2.031 1.520) 6.103 2.792 ( 5.460 -0.669 0.970) 5.586 2.827 ( 5.151 5.225 4.039) 8.375 3.016 ( 2.231 -1.309 -8.361) 8.752 3.084 ( -0.099 -0.177 -3.995) 4.000 3.193 ( 1.299 2.742 -1.901) 3.581 3.348 ( -5.393 -10.452 -1.370) 11.841 3.469 ( -6.846 3.908 9.089) 12.032 3.572 ( 5.912 -9.267 -3.485) 11.532 3.701 ( -2.213 4.312 12.369) 13.285 3.894 ( 3.417 -5.481 -1.046) 6.543 4.218 ( -0.481 9.543 -10.250) 14.013 4.489 ( -2.386 2.785 1.247) 3.874 4.538 ( 2.580 8.873 5.210) 10.608 4.642 ( 3.613 0.233 -3.811) 5.257 4.898 ( -0.279 0.871 -1.637) 1.875 4.986 ( 5.460 3.262 4.911) 8.035 5.069 ( -2.018 -2.041 -0.111) 2.873 5.242 ( 3.643 8.948 -10.509) 14.275 5.444 ( -4.980 -2.133 2.410) 5.930 5.633 ( -6.167 -5.460 4.471) 9.372 5.684 ( -2.126 -2.876 5.833) 6.842 5.769 ( -1.317 -0.132 3.033) 3.309 5.891 ( -1.637 -3.871 4.517) 6.170 6.104 ( -0.079 2.718 -4.917) 5.619 6.239 ( -0.793 -3.580 2.689) 4.547 6.361 ( 1.116 -3.660 -3.357) 5.090 6.639 ( 3.730 -3.869 -3.757) 6.557 6.789 ( 4.999 4.221 -3.904) 7.619 6.854 ( -12.639 -0.030 -7.434) 14.663 7.029 ( 1.419 3.193 -0.453) 3.523 7.187 ( -7.102 -2.502 0.217) 7.533 7.433 ( -2.816 -4.536 -3.149) 6.198 7.501 ( -0.147 2.610 -0.194) 2.621 7.724 ( -1.719 -2.623 -7.856) 8.459 7.826 ( 5.686 -5.205 1.638) 7.881 7.904 ( -1.338 7.466 -0.617) 7.610 8.183 ( -1.246 2.354 1.167) 2.907 8.229 ( -1.931 3.036 0.464) 3.627 8.496 ( 3.761 -1.761 -0.589) 4.195 8.589 ( 1.748 -2.226 -3.658) 4.625 8.696 ( 10.108 -2.800 4.520) 11.421 8.755 ( 2.381 2.469 2.616) 4.314 9.863 ( -3.174 1.009 3.415) 4.770 9.965 ( -1.302 3.342 -0.137) 3.589 10.227 ( 5.890 5.174 -0.971) 7.900 10.336 ( -6.472 -1.062 2.154) 6.904 10.613 ( -3.234 -4.517 2.943) 6.286 10.862 ( 4.613 -3.917 -0.338) 6.061 10.965 ( 7.436 2.263 -2.027) 8.033 11.012 ( 0.701 1.214 4.348) 4.568 11.076 ( -1.744 5.663 -4.159) 7.240 11.493 ( -8.055 4.127 -1.673) 9.204 11.654 ( 3.028 -5.500 -7.081) 9.463 11.962 ( 3.203 5.219 -1.935) 6.421 12.178 ( 2.697 -10.051 -4.009) 11.152 12.438 ( 0.208 -0.671 -7.468) 7.501 12.744 ( -0.057 -3.633 -1.701) 4.012 12.956 ( 0.833 -2.460 8.084) 8.491 13.114 ( 0.430 -4.914 -13.988) 14.833 13.476 ( -0.267 -3.896 7.640) 8.580 13.744 ( -4.924 2.901 -2.815) 6.371 13.904 ( 11.708 2.940 -1.572) 12.174 14.062 ( 1.905 -0.796 8.342) 8.594 14.240 ( 0.819 -2.298 -1.978) 3.141 14.635 ( -3.361 -13.773 9.323) 16.968 14.826 ( 6.525 -7.002 2.546) 9.904 15.184 ( -6.816 1.673 -1.308) 7.139 15.407 ( 6.758 4.890 3.123) 8.907 15.599 ( -3.164 10.359 -6.128) 12.445 15.652 ( 3.190 10.173 2.512) 10.954 15.844 ( 0.688 2.401 -1.743) 3.046 16.115 ( 2.061 -2.360 -2.249) 3.857 16.303 ( -6.853 1.293 3.188) 7.668 16.568 ( -4.764 -0.725 1.008) 4.923 25.041 ( -2.130 0.323 1.354) 2.544 25.083 ( -2.210 1.559 0.211) 2.713 25.143 ( -1.632 -0.117 2.240) 2.774 25.233 ( -1.380 1.885 1.448) 2.749 25.241 ( 2.389 -0.396 2.796) 3.699 25.524 ( 2.566 -1.660 0.651) 3.125 25.626 ( -4.619 -1.539 6.643) 8.236 26.053 ( -14.752 -24.724 -1.297) 28.820 27.130 ( -3.712 2.501 -2.441) 5.098 27.185 ( 2.558 0.286 4.283) 4.996 27.336 ( -0.946 -1.819 -4.407) 4.861 27.552 ( 20.717 1.547 10.019) 23.064 29.109 ( 5.740 2.904 -2.099) 6.767 29.362 ( -0.547 -10.005 -3.206) 10.520 29.705 ( 0.486 13.523 -2.369) 13.738 29.906 ( -4.127 12.261 -9.900) 16.290 ======================= Grid point 103 (53/104) ======================= q-point: ( 0.00 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.151 ( 2.457 4.429 21.470) 22.059 1.700 ( -9.861 15.748 17.849) 25.765 2.426 ( 0.868 -22.390 -5.274) 23.019 2.516 ( 2.193 -4.801 -6.035) 8.018 2.558 ( -6.263 -5.052 0.589) 8.068 2.735 ( -0.501 -3.968 11.248) 11.938 2.840 ( -2.548 -7.827 -2.886) 8.723 2.958 ( 1.569 -5.674 -5.544) 8.086 3.069 ( 6.795 2.817 -3.325) 8.073 3.149 ( 8.301 2.841 3.311) 9.377 3.388 ( 3.393 11.226 -5.314) 12.875 3.439 ( -6.199 13.850 18.119) 23.634 3.462 ( 0.635 16.651 4.551) 17.274 3.621 ( -1.458 -0.823 8.545) 8.707 3.760 ( -2.627 -6.289 1.719) 7.029 3.844 ( -4.866 6.333 11.066) 13.647 4.236 ( 1.285 -1.441 -12.575) 12.723 4.342 ( -5.386 -5.158 -6.219) 9.710 4.622 ( -0.909 -1.581 -1.378) 2.286 4.809 ( 2.700 5.791 7.483) 9.840 4.901 ( -0.090 4.719 -3.488) 5.869 5.031 ( 4.098 0.583 -2.602) 4.889 5.172 ( 2.255 -2.681 8.558) 9.247 5.243 ( -3.534 -6.289 2.388) 7.599 5.440 ( -0.345 4.235 -4.576) 6.245 5.471 ( -3.504 5.063 2.264) 6.560 5.649 ( -1.957 -0.422 1.449) 2.471 5.728 ( -3.055 2.625 4.324) 5.909 5.839 ( -7.150 0.593 4.927) 8.704 6.050 ( -1.108 -4.173 1.654) 4.623 6.176 ( 2.067 -1.905 -2.700) 3.898 6.345 ( 6.419 -4.688 1.683) 8.125 6.515 ( -2.032 -3.288 -8.391) 9.238 6.586 ( -1.693 -1.339 -6.273) 6.634 7.010 ( -5.824 3.168 -3.298) 7.405 7.083 ( -2.869 -1.952 0.188) 3.475 7.196 ( 11.216 6.577 -2.125) 13.175 7.404 ( 5.752 1.608 3.682) 7.016 7.641 ( 2.156 -1.270 -2.038) 3.227 7.660 ( 2.588 7.197 4.999) 9.137 7.740 ( -2.157 -1.736 -3.538) 4.493 8.070 ( -3.166 6.077 -4.076) 7.973 8.147 ( 3.184 1.421 0.559) 3.531 8.282 ( -1.250 1.440 1.720) 2.568 8.430 ( 0.624 -4.029 -0.392) 4.096 8.533 ( -1.396 -1.536 -5.671) 6.039 8.732 ( -2.053 -0.476 0.370) 2.140 8.912 ( 6.671 -3.168 0.713) 7.419 9.862 ( -3.001 4.039 1.956) 5.399 9.994 ( -0.915 2.794 1.857) 3.477 10.242 ( -4.902 1.330 0.091) 5.080 10.404 ( -0.374 -7.888 -0.634) 7.923 10.550 ( 5.633 9.002 -9.224) 14.066 10.841 ( 4.734 -4.017 -2.345) 6.637 11.038 ( 0.219 -0.115 -6.778) 6.782 11.115 ( 3.128 2.437 10.753) 11.461 11.253 ( 5.356 6.114 6.585) 10.460 11.395 ( -6.277 -7.188 -11.952) 15.295 11.587 ( -1.937 1.052 9.886) 10.128 11.900 ( 0.737 -12.879 -5.915) 14.191 12.051 ( 0.886 -0.761 -5.224) 5.354 12.281 ( -6.991 2.501 -10.684) 13.011 12.574 ( -3.935 -8.403 -5.667) 10.872 12.724 ( -5.642 -11.040 -7.775) 14.634 13.236 ( 10.115 7.658 1.808) 12.815 13.454 ( -1.108 -0.707 6.733) 6.860 13.753 ( 0.714 4.094 4.058) 5.809 14.050 ( -9.545 -7.685 7.137) 14.181 14.112 ( 1.588 -0.715 3.274) 3.708 14.228 ( 5.783 5.908 3.062) 8.816 14.442 ( 4.431 -3.613 -0.535) 5.743 14.974 ( 13.877 -9.680 13.186) 21.451 15.093 ( -6.758 5.984 -3.850) 9.814 15.474 ( -1.421 -2.412 -0.223) 2.808 15.668 ( -6.608 7.578 -5.783) 11.599 15.827 ( -0.787 1.288 -5.610) 5.810 15.957 ( 6.744 3.603 2.712) 8.113 16.168 ( 6.056 1.341 -1.080) 6.296 16.258 ( -3.675 0.748 0.824) 3.839 16.414 ( -4.223 -2.554 0.910) 5.018 25.028 ( -0.790 1.666 0.272) 1.864 25.097 ( -0.191 0.619 -0.614) 0.893 25.124 ( -1.328 0.765 2.592) 3.011 25.228 ( -0.862 -0.560 1.118) 1.519 25.322 ( 1.264 1.663 4.723) 5.164 25.503 ( -5.492 -3.370 5.230) 8.299 25.534 ( -0.024 -1.787 2.474) 3.052 25.618 ( -3.252 -4.250 4.412) 6.936 27.109 ( -2.016 1.694 -1.223) 2.903 27.225 ( -0.699 -2.946 0.491) 3.067 27.277 ( 0.508 0.557 0.437) 0.871 27.669 ( 5.327 -10.710 0.392) 11.968 29.144 ( -2.535 -2.501 -3.881) 5.267 29.180 ( 1.533 -5.387 -1.490) 5.796 30.037 ( 6.823 10.311 -4.785) 13.258 30.074 ( 1.745 10.727 -6.899) 12.873 ======================= Grid point 104 (54/104) ======================= q-point: ( 0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.332 ( 0.648 -3.226 24.997) 25.213 1.745 ( 4.345 13.594 17.399) 22.503 2.183 ( -19.534 -16.086 -0.370) 25.308 2.427 ( -2.620 -8.217 -3.637) 9.360 2.667 ( 9.080 -13.295 -5.167) 16.909 2.736 ( -6.616 -3.911 -3.997) 8.663 2.810 ( 2.802 -9.654 1.520) 10.167 2.933 ( -3.072 -2.339 -1.444) 4.122 3.151 ( 1.854 2.402 -2.132) 3.709 3.268 ( 3.269 4.881 -3.411) 6.793 3.341 ( -3.161 1.618 2.221) 4.189 3.445 ( 4.116 8.198 -4.403) 10.175 3.506 ( -2.630 2.217 11.024) 11.548 3.622 ( -3.647 -3.566 5.777) 7.706 3.719 ( -7.269 -2.756 -2.248) 8.092 3.836 ( 3.230 11.306 16.904) 20.591 4.233 ( 5.489 -3.022 -6.318) 8.898 4.349 ( 3.419 2.432 7.254) 8.380 4.532 ( -8.103 3.948 1.287) 9.105 4.826 ( -4.549 6.881 0.636) 8.273 4.897 ( -0.282 8.121 1.914) 8.348 5.085 ( 0.503 1.107 -0.610) 1.361 5.139 ( -2.754 -2.210 -1.188) 3.726 5.217 ( -4.408 -3.425 3.946) 6.836 5.401 ( -0.333 4.213 -3.544) 5.516 5.491 ( 2.670 6.778 4.335) 8.477 5.657 ( 0.348 -0.457 5.259) 5.290 5.679 ( -1.503 0.334 0.565) 1.640 5.780 ( -3.528 0.565 7.314) 8.140 6.062 ( 0.097 -4.164 -0.259) 4.173 6.204 ( 3.071 -0.691 -1.480) 3.478 6.427 ( -0.640 0.292 -7.707) 7.739 6.458 ( 3.844 -2.079 -0.625) 4.415 6.633 ( 9.210 -6.182 -3.046) 11.502 6.845 ( -8.240 4.405 -3.708) 10.052 7.064 ( 1.344 -4.273 -3.480) 5.672 7.405 ( 10.062 4.795 4.048) 11.859 7.497 ( 2.283 2.340 1.516) 3.603 7.637 ( -2.211 1.945 -2.450) 3.831 7.666 ( 0.222 4.172 -1.734) 4.523 7.795 ( 6.872 6.898 0.902) 9.779 7.900 ( -5.390 6.935 -5.297) 10.257 8.228 ( -2.146 0.600 -2.653) 3.465 8.305 ( 4.710 1.691 5.590) 7.503 8.373 ( -7.440 2.709 -8.688) 11.755 8.467 ( -2.036 -5.205 -1.860) 5.891 8.692 ( -0.909 -5.320 0.078) 5.398 8.987 ( 1.731 -6.049 -4.519) 7.746 9.832 ( -1.375 4.981 2.976) 5.963 10.023 ( 1.798 3.996 2.276) 4.938 10.161 ( -2.052 3.151 2.610) 4.577 10.389 ( -1.763 -7.192 0.941) 7.464 10.560 ( 0.896 3.617 -4.169) 5.592 10.910 ( 2.552 -2.660 -0.886) 3.792 10.994 ( -4.738 0.551 0.237) 4.776 11.159 ( -5.349 -12.607 -14.642) 20.048 11.289 ( 4.561 2.743 5.804) 7.875 11.405 ( 8.139 1.945 9.854) 12.928 11.607 ( -1.668 4.662 5.259) 7.223 11.909 ( 0.202 -7.067 -3.440) 7.862 12.049 ( 2.101 -16.110 -6.134) 17.366 12.128 ( -0.263 5.723 -4.159) 7.080 12.421 ( -7.512 -7.776 -9.873) 14.641 12.570 ( -4.564 -4.702 -6.486) 9.220 13.417 ( 5.901 4.455 0.955) 7.455 13.462 ( 0.029 3.705 6.279) 7.291 13.803 ( -3.892 4.184 7.646) 9.546 13.954 ( -1.039 -6.003 3.479) 7.016 14.133 ( -1.378 0.685 4.569) 4.821 14.223 ( -3.135 -2.208 -3.460) 5.165 14.620 ( 7.368 2.546 3.275) 8.455 14.983 ( 0.867 1.833 -5.270) 5.646 15.174 ( -3.231 -2.121 4.287) 5.772 15.393 ( -0.603 -0.544 0.332) 0.877 15.584 ( -1.718 1.653 -2.667) 3.577 15.781 ( -1.142 -2.482 -2.359) 3.610 16.078 ( 3.761 1.538 0.407) 4.083 16.170 ( -1.751 -1.579 -2.042) 3.119 16.300 ( 6.691 5.106 1.483) 8.547 16.414 ( 2.812 1.410 -0.501) 3.185 25.035 ( 1.214 1.595 0.485) 2.062 25.092 ( -0.428 0.412 0.700) 0.918 25.135 ( 1.119 1.016 1.417) 2.072 25.232 ( 0.558 -0.888 2.038) 2.292 25.353 ( -1.883 1.275 4.237) 4.809 25.412 ( -5.551 1.835 4.061) 7.119 25.579 ( 0.586 -1.547 7.508) 7.688 25.611 ( 0.568 -3.752 1.126) 3.959 27.077 ( -0.930 2.282 -0.075) 2.466 27.189 ( -2.341 -4.252 -1.514) 5.084 27.316 ( 1.540 -1.016 3.599) 4.045 27.728 ( 2.508 -14.563 -4.649) 15.492 29.034 ( -5.797 0.081 -1.831) 6.080 29.183 ( -0.682 -6.559 -1.113) 6.688 30.073 ( 2.222 11.166 -5.141) 12.491 30.143 ( 7.480 8.440 -7.665) 13.636 ======================= Grid point 105 (55/104) ======================= q-point: ( 0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.501 ( 3.360 -8.567 22.068) 23.910 1.729 ( -21.375 -11.755 8.031) 25.682 2.092 ( 11.824 4.801 10.956) 16.820 2.363 ( -2.581 -7.746 -1.635) 8.326 2.504 ( -16.700 6.402 -0.775) 17.902 2.756 ( 1.330 -11.846 -6.661) 13.655 2.823 ( 2.634 -7.940 -6.432) 10.552 2.938 ( 5.856 -8.044 2.852) 10.351 3.103 ( -3.547 0.818 -2.093) 4.199 3.209 ( -1.268 5.373 -5.086) 7.507 3.319 ( -5.977 -7.545 -7.577) 12.250 3.424 ( 3.971 7.567 -5.161) 9.983 3.599 ( -1.128 -0.425 9.076) 9.155 3.630 ( -2.147 -0.831 -1.667) 2.843 3.687 ( 7.383 -2.792 6.854) 10.454 3.952 ( -1.230 7.440 16.189) 17.860 4.322 ( -11.029 8.226 1.796) 13.876 4.355 ( 6.257 4.438 3.367) 8.377 4.486 ( 0.911 0.702 11.260) 11.318 4.726 ( -4.519 10.681 0.182) 11.599 4.872 ( -4.158 7.472 1.766) 8.731 5.036 ( -0.517 -3.221 -1.688) 3.673 5.086 ( -8.159 0.874 -2.512) 8.581 5.171 ( 2.327 1.464 1.147) 2.979 5.400 ( 1.184 1.725 -0.717) 2.211 5.568 ( 2.590 7.012 2.781) 7.976 5.640 ( -2.487 -8.319 3.767) 9.465 5.749 ( 2.558 1.269 0.874) 2.986 5.793 ( 0.271 4.074 10.440) 11.211 6.052 ( -0.575 -5.397 -0.026) 5.427 6.253 ( 3.693 0.939 -3.682) 5.299 6.397 ( 0.669 2.099 -2.616) 3.420 6.508 ( 3.685 -1.009 -2.376) 4.499 6.690 ( -4.601 6.632 -0.852) 8.117 6.831 ( 10.819 -11.002 -4.659) 16.118 7.076 ( 2.118 -6.094 -4.072) 7.629 7.496 ( 0.070 2.749 -1.406) 3.088 7.503 ( -2.458 -0.351 0.190) 2.490 7.586 ( -2.981 4.633 -5.392) 7.709 7.732 ( 2.858 5.530 1.917) 6.513 7.796 ( 4.210 3.745 -2.698) 6.248 7.976 ( 4.374 4.737 6.996) 9.514 8.146 ( -6.684 4.187 -9.001) 11.967 8.181 ( -0.468 -0.839 -2.092) 2.302 8.306 ( -3.879 1.166 -6.453) 7.619 8.480 ( 2.563 -2.372 3.655) 5.055 8.676 ( -0.515 -0.557 -2.074) 2.208 8.946 ( -1.905 -8.966 -5.553) 10.717 9.852 ( 0.768 5.458 5.014) 7.452 10.059 ( 1.768 4.239 -0.039) 4.593 10.195 ( -0.552 3.362 6.355) 7.211 10.371 ( -0.325 -4.974 3.642) 6.173 10.548 ( -0.165 -1.704 -2.553) 3.074 10.865 ( -4.090 -0.019 -2.129) 4.611 10.914 ( -5.302 1.606 3.176) 6.386 11.022 ( -2.984 -9.322 -6.235) 11.606 11.366 ( 4.374 0.231 -3.010) 5.315 11.530 ( -6.228 4.324 -6.123) 9.745 11.628 ( 5.230 0.807 13.669) 14.658 11.938 ( 7.148 -10.448 -6.862) 14.400 12.035 ( 2.486 -5.268 1.444) 6.001 12.220 ( -6.205 -7.615 -5.428) 11.223 12.242 ( 6.207 -1.675 -0.382) 6.441 12.535 ( 3.840 -4.523 -0.599) 5.963 13.423 ( -4.093 -1.088 0.318) 4.247 13.496 ( -1.836 0.506 0.972) 2.138 13.768 ( -1.109 7.572 6.851) 10.271 13.976 ( -0.199 1.779 -3.004) 3.497 14.099 ( -4.820 0.551 -5.563) 7.381 14.163 ( -1.193 -0.501 8.635) 8.731 14.652 ( -0.834 -1.693 -6.230) 6.509 14.971 ( -7.239 -7.909 -2.122) 10.930 15.134 ( 6.962 11.102 -0.155) 13.106 15.418 ( -2.102 -3.717 4.923) 6.517 15.543 ( -0.431 0.168 -1.901) 1.956 15.777 ( 1.172 -1.418 -0.102) 1.842 16.069 ( -0.901 1.043 -4.216) 4.436 16.173 ( 0.888 0.495 -3.160) 3.320 16.434 ( 5.815 4.933 2.117) 7.914 16.475 ( 3.598 2.328 1.271) 4.470 25.071 ( 2.073 1.158 0.754) 2.491 25.090 ( -0.427 0.522 1.699) 1.828 25.173 ( 1.652 0.594 1.923) 2.604 25.255 ( -1.012 -0.994 1.548) 2.100 25.316 ( -1.311 2.874 2.221) 3.861 25.368 ( -3.194 3.226 4.931) 6.703 25.609 ( -0.368 -2.396 2.138) 3.232 25.666 ( 1.760 -5.657 8.115) 10.048 27.075 ( 0.323 2.100 1.051) 2.370 27.141 ( -1.589 -2.356 -0.658) 2.917 27.362 ( 1.102 -1.671 3.344) 3.897 27.694 ( -1.913 -12.600 -9.066) 15.640 28.953 ( -2.378 -0.097 0.811) 2.515 29.154 ( -1.446 -7.540 -0.939) 7.734 30.072 ( 1.089 11.609 -6.144) 13.180 30.207 ( 4.862 6.488 -8.429) 11.695 ======================= Grid point 106 (56/104) ======================= q-point: (-0.50 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.387 ( -19.605 -5.925 15.957) 25.963 1.740 ( 7.488 -13.674 14.092) 21.015 2.133 ( -17.914 8.150 1.184) 19.716 2.332 ( 7.535 -1.708 2.750) 8.201 2.457 ( 8.260 4.941 8.536) 12.865 2.680 ( -2.813 -6.843 -3.299) 8.101 2.899 ( 7.178 -10.274 -4.729) 13.396 3.015 ( -1.486 2.552 -4.984) 5.793 3.089 ( -0.367 -5.958 -0.821) 6.026 3.151 ( 3.082 -2.631 -9.282) 10.128 3.217 ( 1.005 0.726 -1.358) 1.839 3.458 ( 3.275 9.856 -6.550) 12.278 3.505 ( -8.142 1.181 -2.166) 8.508 3.677 ( -4.673 5.570 12.541) 14.496 3.717 ( -3.813 1.496 2.641) 4.873 3.929 ( -10.162 6.835 11.263) 16.639 4.297 ( 8.023 3.278 6.016) 10.550 4.449 ( 1.217 3.240 0.165) 3.465 4.537 ( -1.288 -3.293 10.269) 10.861 4.693 ( -0.632 8.043 1.310) 8.173 4.791 ( -4.646 6.047 2.450) 8.010 4.957 ( -2.354 5.024 -3.073) 6.342 5.066 ( 2.709 -3.167 0.194) 4.172 5.228 ( 2.829 0.542 1.331) 3.173 5.410 ( 0.181 -1.533 -1.027) 1.854 5.604 ( -1.962 -5.104 4.491) 7.075 5.622 ( -0.490 0.943 2.145) 2.394 5.764 ( -0.685 0.203 4.915) 4.967 5.866 ( 0.983 3.760 3.141) 4.996 6.051 ( 0.184 -6.012 1.472) 6.192 6.283 ( 2.196 0.795 -4.452) 5.027 6.423 ( 3.307 4.472 -1.048) 5.660 6.533 ( -1.525 2.350 -1.805) 3.333 6.689 ( 5.188 1.901 2.996) 6.286 6.917 ( -0.249 -8.913 -3.516) 9.585 7.079 ( 1.945 -11.031 -8.806) 14.248 7.433 ( -3.718 5.476 -4.367) 7.930 7.451 ( -3.661 -0.590 -0.354) 3.725 7.534 ( 1.882 1.077 -0.894) 2.345 7.702 ( -6.912 -3.993 -5.316) 9.590 7.769 ( -5.133 1.800 5.039) 7.414 8.045 ( -1.955 0.994 -8.432) 8.712 8.093 ( 6.139 5.545 -3.211) 8.874 8.218 ( 4.385 0.385 0.006) 4.402 8.297 ( 6.814 5.699 2.115) 9.131 8.557 ( 4.775 0.110 2.577) 5.427 8.667 ( -0.864 1.527 2.124) 2.754 8.859 ( -3.584 -6.084 -7.381) 10.215 9.904 ( 0.958 4.949 5.706) 7.614 10.098 ( 2.903 5.499 -1.976) 6.525 10.156 ( -5.361 1.523 4.374) 7.084 10.410 ( -0.962 -1.827 5.621) 5.988 10.520 ( -0.669 -7.601 -2.527) 8.038 10.806 ( -6.092 0.802 1.636) 6.359 10.851 ( 3.459 2.940 -1.695) 4.845 10.980 ( -0.010 -3.649 -0.042) 3.649 11.369 ( -5.030 3.249 -8.910) 10.736 11.432 ( 5.995 -3.676 -7.500) 10.281 11.736 ( -0.667 -1.005 13.401) 13.455 12.001 ( -2.886 -1.646 -9.298) 9.874 12.066 ( 3.140 0.444 -2.632) 4.121 12.162 ( 5.392 -9.025 3.763) 11.167 12.415 ( 9.865 -3.547 4.719) 11.496 12.678 ( 8.960 -8.585 3.173) 12.809 13.262 ( -10.317 -1.945 -2.775) 10.859 13.475 ( -0.668 -4.899 -1.907) 5.299 13.773 ( -4.439 9.259 5.538) 11.666 13.964 ( 3.511 5.662 -3.674) 7.608 13.980 ( -2.798 2.035 -7.307) 8.085 14.205 ( -0.729 -1.169 8.484) 8.595 14.555 ( -5.422 -3.490 -7.371) 9.793 14.827 ( -5.469 -7.918 -3.783) 10.340 15.268 ( 5.454 6.608 2.565) 8.944 15.374 ( -4.785 -2.591 3.681) 6.570 15.580 ( 4.962 2.776 1.124) 5.796 15.797 ( 0.869 2.223 -0.174) 2.394 16.026 ( -1.248 1.953 -4.462) 5.028 16.137 ( -0.972 1.001 -7.065) 7.202 16.481 ( -1.571 2.544 3.141) 4.336 16.568 ( 3.888 1.808 1.962) 4.716 25.100 ( 0.297 0.204 2.702) 2.726 25.110 ( 1.373 0.740 0.728) 1.722 25.180 ( -3.027 1.253 3.006) 4.446 25.245 ( 1.129 1.081 -0.563) 1.661 25.292 ( -3.938 2.795 3.394) 5.902 25.390 ( 2.458 0.676 3.008) 3.943 25.605 ( -1.259 -3.961 2.100) 4.657 25.734 ( -0.646 -9.061 9.523) 13.161 27.083 ( 0.015 0.294 0.632) 0.697 27.159 ( 2.946 2.947 3.601) 5.507 27.388 ( -0.263 -1.626 2.278) 2.811 27.564 ( -4.826 -7.010 -11.820) 14.565 28.957 ( 1.523 -1.506 1.827) 2.815 29.135 ( 0.324 -8.211 -1.155) 8.298 30.039 ( -0.467 11.695 -6.387) 13.334 30.220 ( 2.456 5.353 -9.516) 11.191 ======================= Grid point 107 (57/104) ======================= q-point: (-0.33 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.191 ( -15.351 -0.928 20.243) 25.422 1.817 ( -7.251 19.980 10.341) 23.637 2.041 ( 7.231 -18.744 6.488) 21.112 2.518 ( 11.570 -0.027 2.534) 11.844 2.637 ( -2.287 -2.007 11.436) 11.834 2.655 ( 7.889 -0.646 -4.243) 8.981 2.866 ( -6.370 1.511 -10.397) 12.287 2.973 ( 1.591 -5.335 -4.821) 7.364 3.035 ( -2.815 -3.345 -4.157) 6.033 3.176 ( -2.561 6.419 -2.982) 7.527 3.267 ( 3.940 0.605 3.368) 5.219 3.348 ( -6.136 8.068 2.469) 10.433 3.475 ( 2.789 13.710 -7.768) 16.003 3.560 ( -3.419 0.834 10.144) 10.737 3.787 ( 0.961 3.303 4.504) 5.668 3.820 ( -7.931 6.016 10.160) 14.224 4.435 ( 0.948 3.675 -5.673) 6.825 4.481 ( 5.483 0.750 4.898) 7.390 4.525 ( -3.382 -6.433 2.343) 7.636 4.716 ( -2.493 7.827 0.739) 8.247 4.800 ( 5.851 -1.940 11.958) 13.453 4.956 ( 2.461 4.161 -3.507) 5.973 5.081 ( -1.549 -2.572 -1.918) 3.563 5.280 ( 0.784 -5.057 3.351) 6.117 5.403 ( 1.858 0.235 -4.549) 4.919 5.585 ( -2.473 -7.072 5.817) 9.486 5.633 ( -0.184 3.051 1.774) 3.534 5.786 ( -1.622 0.578 5.906) 6.152 5.878 ( 1.096 3.118 0.472) 3.339 6.070 ( 1.143 -6.801 0.322) 6.904 6.262 ( -3.451 0.957 -0.493) 3.615 6.437 ( -7.305 2.464 -2.002) 7.966 6.498 ( 5.921 0.259 -4.875) 7.674 6.788 ( 2.133 -3.506 -3.386) 5.320 6.928 ( 5.912 1.225 3.666) 7.063 7.016 ( -1.787 -8.660 -7.384) 11.520 7.308 ( -8.599 2.119 1.181) 8.935 7.402 ( -3.650 -0.907 -0.694) 3.824 7.542 ( -3.026 -1.756 -3.678) 5.077 7.606 ( 3.232 -1.625 1.780) 4.032 7.717 ( -1.964 -4.884 1.988) 5.627 7.953 ( -0.288 -2.988 -8.671) 9.176 8.206 ( 6.924 6.584 -2.776) 9.950 8.311 ( 2.501 6.381 3.344) 7.626 8.404 ( 2.997 0.084 -1.404) 3.310 8.641 ( -0.868 1.819 2.457) 3.178 8.678 ( 2.471 2.008 -1.677) 3.598 8.760 ( -0.897 0.415 -2.428) 2.621 9.932 ( -1.804 3.743 4.271) 5.959 10.066 ( -3.245 4.171 3.117) 6.135 10.192 ( 6.067 2.844 -2.401) 7.117 10.373 ( -4.034 0.088 3.052) 5.059 10.509 ( -0.191 -8.692 -0.415) 8.704 10.760 ( 0.729 -2.060 -0.786) 2.322 10.939 ( 6.244 4.657 -0.298) 7.795 10.999 ( 0.793 -0.146 1.994) 2.150 11.254 ( -2.473 3.710 -7.156) 8.431 11.494 ( 5.817 -6.032 -9.518) 12.682 11.734 ( -6.726 1.321 -1.955) 7.127 11.919 ( 1.022 1.122 6.380) 6.559 12.087 ( 1.329 -0.590 -8.570) 8.692 12.319 ( 6.204 -8.995 8.006) 13.546 12.595 ( 5.773 -2.399 2.252) 6.645 12.807 ( 1.930 -9.029 1.887) 9.423 13.106 ( -2.402 -1.262 -5.370) 6.017 13.431 ( -2.862 -5.103 -0.549) 5.876 13.744 ( 0.604 5.060 2.673) 5.754 13.931 ( 2.186 2.983 -7.643) 8.491 14.034 ( 3.134 5.469 3.293) 7.112 14.247 ( 1.377 -0.981 3.147) 3.573 14.396 ( -7.949 -4.642 2.574) 9.558 14.718 ( -4.457 -8.581 -4.243) 10.560 15.307 ( -4.466 0.165 3.276) 5.541 15.366 ( 3.403 2.209 3.368) 5.273 15.700 ( 6.522 6.127 0.144) 8.950 15.811 ( 1.105 6.301 0.017) 6.397 15.965 ( -2.237 2.196 -4.746) 5.688 16.081 ( 0.068 -0.205 -7.337) 7.340 16.428 ( -6.237 1.521 3.494) 7.310 16.602 ( -1.531 -0.977 1.217) 2.187 25.107 ( -2.410 1.842 1.049) 3.209 25.128 ( 0.542 -0.484 2.890) 2.980 25.148 ( -1.803 0.399 0.802) 2.014 25.222 ( -2.385 1.641 2.738) 3.985 25.285 ( 0.358 2.688 0.800) 2.827 25.444 ( 1.957 -1.178 1.015) 2.499 25.598 ( -1.733 -3.973 4.801) 6.468 25.741 ( -4.491 -13.746 7.972) 16.513 27.101 ( 1.012 1.056 2.233) 2.670 27.260 ( 3.762 3.399 4.546) 6.810 27.355 ( -4.431 -3.633 -3.302) 6.614 27.446 ( 0.893 1.085 -5.446) 5.624 29.015 ( 4.068 -1.510 0.283) 4.349 29.156 ( 2.581 -8.334 -1.241) 8.812 29.991 ( -0.420 11.740 -5.623) 13.024 30.183 ( 0.062 5.516 -10.235) 11.627 ======================= Grid point 108 (58/104) ======================= q-point: (-0.17 0.29 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.075 ( -8.242 5.050 18.542) 20.910 1.779 ( -7.772 19.994 16.227) 26.898 2.253 ( 12.324 -21.105 0.942) 24.458 2.611 ( -4.573 -2.673 -7.290) 9.012 2.622 ( -4.943 0.109 11.926) 12.910 2.744 ( 3.343 -4.207 -1.254) 5.518 2.819 ( 4.253 3.738 -2.945) 6.383 2.951 ( 0.305 -1.645 1.291) 2.113 2.990 ( 4.122 1.358 0.341) 4.353 3.068 ( -3.970 -6.635 -7.212) 10.573 3.291 ( 0.789 18.351 7.506) 19.842 3.443 ( 5.175 -0.490 -5.167) 7.329 3.459 ( -0.804 17.723 6.466) 18.883 3.594 ( -2.305 6.711 9.322) 11.716 3.775 ( 0.183 -4.076 3.620) 5.455 3.819 ( -3.390 5.925 12.084) 13.879 4.336 ( -3.167 0.229 -13.154) 13.531 4.508 ( -3.977 -3.407 -6.823) 8.601 4.571 ( 4.242 -2.848 3.362) 6.116 4.713 ( 1.660 6.733 6.451) 9.471 4.949 ( -1.057 2.538 -4.672) 5.421 4.982 ( 4.629 -4.275 2.989) 6.974 5.044 ( 1.847 -1.052 4.933) 5.372 5.279 ( -2.657 -9.645 4.208) 10.853 5.434 ( 3.845 3.788 -6.061) 8.116 5.552 ( -4.367 -0.343 1.489) 4.626 5.653 ( 0.250 1.563 4.428) 4.703 5.758 ( -3.961 2.549 4.156) 6.282 5.909 ( -0.944 0.738 1.956) 2.294 6.109 ( 2.757 -7.437 0.615) 7.956 6.148 ( -7.644 0.759 1.192) 7.774 6.310 ( -2.899 -1.937 -2.185) 4.115 6.542 ( 2.662 -3.838 -6.690) 8.159 6.751 ( -6.998 -6.050 -9.641) 13.362 6.949 ( 8.300 8.334 -0.041) 11.762 7.116 ( 3.719 3.697 -1.009) 5.340 7.175 ( -6.621 0.055 0.902) 6.682 7.323 ( -1.091 -5.672 1.843) 6.063 7.570 ( 3.400 4.238 2.906) 6.161 7.638 ( 0.258 -4.573 1.415) 4.794 7.736 ( 3.379 -3.595 -2.352) 5.466 7.976 ( 4.082 -2.688 2.890) 5.678 8.248 ( -1.109 3.607 -5.052) 6.306 8.291 ( -3.133 4.469 -0.042) 5.458 8.431 ( 1.345 -1.456 -2.004) 2.819 8.589 ( -2.034 1.116 -5.383) 5.861 8.706 ( 2.965 2.977 1.151) 4.356 8.815 ( 2.931 1.775 3.135) 4.644 9.901 ( -3.092 3.067 2.983) 5.279 10.033 ( -3.145 3.704 1.210) 5.007 10.260 ( 1.681 -3.726 0.492) 4.117 10.390 ( 4.245 5.367 -0.696) 6.878 10.498 ( 1.246 -4.036 -3.711) 5.623 10.793 ( 3.191 -2.479 -2.980) 5.021 11.025 ( 1.860 0.535 1.274) 2.318 11.063 ( 4.756 6.275 3.595) 8.656 11.175 ( -2.040 4.286 -4.014) 6.216 11.508 ( 0.666 -5.339 -8.918) 10.415 11.590 ( -4.464 0.737 0.843) 4.603 12.003 ( -3.923 -8.210 -10.629) 13.992 12.020 ( 3.897 1.221 2.471) 4.774 12.407 ( -0.330 -1.395 -2.327) 2.733 12.633 ( -0.933 -7.198 -0.582) 7.281 12.806 ( -1.412 -10.118 0.453) 10.226 13.104 ( 5.070 3.388 -5.817) 8.428 13.413 ( 0.065 -2.806 4.881) 5.631 13.776 ( -1.748 1.289 1.278) 2.520 13.986 ( 9.241 3.286 -3.085) 10.281 14.099 ( 0.649 4.110 7.742) 8.789 14.181 ( -6.231 -1.171 -0.199) 6.343 14.444 ( 0.990 -7.136 7.838) 10.646 14.674 ( 6.016 -8.288 4.102) 11.032 15.230 ( -6.032 3.175 0.291) 6.823 15.439 ( 2.338 -1.065 3.773) 4.565 15.771 ( 1.696 7.647 -4.806) 9.190 15.848 ( 3.187 7.913 0.945) 8.583 15.895 ( -2.074 2.375 -7.840) 8.450 16.078 ( 3.296 -1.128 -1.008) 3.627 16.326 ( -6.013 1.078 2.889) 6.757 16.528 ( -6.808 -3.393 0.800) 7.648 25.060 ( -2.791 1.559 0.505) 3.237 25.112 ( -1.406 1.247 -0.418) 1.925 25.140 ( -1.527 -0.130 2.811) 3.202 25.228 ( 0.126 -0.985 2.724) 2.899 25.287 ( -0.068 3.371 1.430) 3.662 25.482 ( 1.565 -2.351 1.770) 3.333 25.584 ( -3.558 -2.540 4.760) 6.463 25.677 ( -6.487 -12.684 6.491) 15.656 27.133 ( 0.142 -0.021 2.348) 2.353 27.243 ( -2.293 2.080 -4.368) 5.354 27.295 ( -1.185 -0.595 -0.729) 1.513 27.538 ( 7.110 -2.509 3.566) 8.340 29.102 ( 5.640 -2.010 -2.049) 6.328 29.190 ( 1.370 -6.983 -2.022) 7.397 29.975 ( 2.593 11.806 -4.731) 12.981 30.115 ( -0.763 7.847 -8.794) 11.811 ======================= Grid point 109 (59/104) ======================= q-point: ( 0.00 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.399 ( 2.996 19.577 5.362) 20.518 1.847 ( 3.262 -19.836 -0.973) 20.126 2.097 ( -9.336 10.214 8.739) 16.366 2.372 ( -6.500 -11.868 4.248) 14.182 2.523 ( -5.032 1.165 -13.373) 14.335 2.599 ( -3.628 -6.690 -7.408) 10.621 2.772 ( -0.003 2.077 5.806) 6.166 2.858 ( 0.252 -5.128 2.955) 5.924 3.129 ( 7.959 2.843 -3.446) 9.127 3.172 ( 8.034 -0.933 -2.173) 8.375 3.500 ( -0.730 4.393 -3.252) 5.514 3.606 ( -3.208 -5.475 -0.249) 6.350 3.664 ( -10.883 6.941 7.881) 15.124 3.698 ( -8.175 6.490 7.543) 12.878 3.857 ( 1.575 9.015 0.723) 9.180 3.971 ( -3.473 6.436 1.971) 7.574 4.111 ( -0.915 -3.407 -2.733) 4.462 4.269 ( 0.332 -5.893 5.168) 7.845 4.663 ( 2.230 6.946 2.338) 7.661 4.841 ( 0.889 -3.962 4.521) 6.077 4.926 ( 1.397 -4.017 8.511) 9.514 4.938 ( 3.109 -4.754 2.735) 6.304 5.132 ( 1.994 0.209 5.181) 5.555 5.144 ( 1.174 -1.769 2.160) 3.029 5.534 ( 1.930 4.324 -4.648) 6.636 5.564 ( -0.159 2.814 -1.774) 3.330 5.687 ( -4.072 3.465 -2.487) 5.897 5.768 ( -6.156 -1.538 0.874) 6.405 5.867 ( -4.128 2.587 5.684) 7.486 5.939 ( 1.454 -5.066 1.146) 5.394 6.183 ( 1.003 1.891 3.079) 3.750 6.247 ( 4.204 -4.466 3.534) 7.079 6.505 ( 0.405 1.805 -9.230) 9.413 6.552 ( -0.604 -2.264 -7.840) 8.182 7.026 ( -4.855 -0.287 -2.405) 5.425 7.043 ( -4.437 -1.675 -1.602) 5.005 7.322 ( 8.410 5.837 3.340) 10.768 7.408 ( 6.519 -2.201 5.822) 9.013 7.646 ( 4.289 1.808 0.003) 4.655 7.690 ( 2.968 -2.339 -0.443) 3.804 7.828 ( 5.044 8.987 7.435) 12.708 8.018 ( 6.982 -9.710 10.098) 15.653 8.201 ( -4.941 5.197 -9.838) 12.174 8.281 ( -2.539 -2.219 -6.408) 7.241 8.467 ( 0.468 5.545 -0.724) 5.612 8.534 ( -1.382 -0.420 -5.656) 5.838 8.739 ( -4.316 1.566 -3.306) 5.658 8.816 ( 0.977 -5.652 -0.592) 5.766 9.964 ( -1.521 5.572 1.829) 6.059 10.031 ( -1.520 -0.048 3.737) 4.035 10.237 ( 0.363 -1.136 3.084) 3.307 10.271 ( -0.780 -4.696 -0.601) 4.798 10.718 ( 5.097 7.411 -12.874) 15.705 10.805 ( 5.480 -1.209 -8.275) 9.999 11.046 ( -5.367 2.796 -10.568) 12.178 11.182 ( -7.864 -6.883 -8.268) 13.326 11.243 ( 1.765 4.719 8.007) 9.460 11.356 ( 7.652 0.478 8.999) 11.822 11.553 ( -1.139 -1.410 6.279) 6.536 11.661 ( -1.604 -9.802 -2.615) 10.271 12.108 ( -4.491 7.631 -5.390) 10.366 12.324 ( -7.216 -12.529 -5.717) 15.548 12.401 ( -1.851 6.396 -6.847) 9.551 12.551 ( -2.950 -7.881 -6.331) 10.530 13.387 ( 9.089 6.869 4.814) 12.368 13.466 ( 3.872 -0.370 8.883) 9.698 13.809 ( 0.058 2.673 2.808) 3.877 13.905 ( -6.420 -6.741 5.425) 10.774 14.139 ( -0.906 3.952 -2.504) 4.766 14.240 ( -3.333 -4.932 -3.362) 6.836 14.514 ( 12.345 10.594 8.219) 18.226 14.749 ( 11.773 -12.141 10.574) 19.945 15.242 ( -3.694 7.835 0.126) 8.663 15.384 ( -1.898 -6.183 1.232) 6.584 15.776 ( -6.540 3.574 -7.303) 10.435 15.823 ( -3.529 -1.313 -7.048) 7.991 16.048 ( 3.272 5.242 0.464) 6.197 16.145 ( 2.744 -3.855 -2.193) 5.215 16.296 ( -0.211 3.178 2.740) 4.201 16.360 ( -0.472 -2.985 2.355) 3.831 25.068 ( -0.664 2.025 -0.034) 2.132 25.097 ( -0.626 -0.725 -0.368) 1.026 25.150 ( -0.833 1.845 2.622) 3.313 25.193 ( -0.681 -2.369 2.333) 3.394 25.375 ( 0.322 3.203 3.228) 4.558 25.439 ( -0.716 -3.206 3.773) 5.003 25.517 ( -1.274 0.443 3.402) 3.660 25.550 ( -0.813 -2.695 4.037) 4.922 27.128 ( -1.498 0.995 -0.216) 1.811 27.164 ( -1.707 -2.667 -1.188) 3.382 27.350 ( -0.530 5.885 -0.825) 5.966 27.489 ( 0.902 -7.955 -1.291) 8.109 29.103 ( -1.082 -1.090 -1.180) 1.937 29.110 ( 0.493 -1.848 -0.585) 2.000 30.183 ( 4.564 4.420 -4.946) 8.052 30.204 ( 3.588 2.510 -6.293) 7.666 ======================= Grid point 110 (60/104) ======================= q-point: ( 0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.418 ( -6.364 12.498 11.936) 18.416 1.780 ( -13.944 -21.915 2.342) 26.080 2.060 ( 3.536 17.168 10.387) 20.375 2.353 ( -1.720 -3.754 -2.621) 4.891 2.423 ( 5.162 -9.663 -2.716) 11.287 2.496 ( -1.482 -10.124 -9.783) 14.156 2.805 ( -1.253 2.184 2.066) 3.257 2.866 ( -2.087 -3.747 3.256) 5.385 3.192 ( -0.185 2.240 -3.393) 4.069 3.253 ( 1.250 -3.669 -2.528) 4.627 3.456 ( -6.645 6.843 -3.909) 10.308 3.476 ( 0.150 1.821 -4.461) 4.821 3.549 ( -3.840 -2.494 3.971) 6.061 3.613 ( -7.105 -3.812 4.573) 9.270 3.756 ( -0.360 11.597 -5.967) 13.047 3.975 ( 0.601 -6.302 -1.172) 6.438 4.223 ( 5.551 8.704 14.613) 17.891 4.372 ( 2.688 -3.139 11.612) 12.326 4.690 ( -0.777 11.911 3.767) 12.517 4.876 ( -0.293 -2.742 5.121) 5.817 4.977 ( -1.602 0.582 7.311) 7.507 5.034 ( 1.929 -6.647 5.089) 8.591 5.096 ( -6.680 -0.114 0.836) 6.733 5.126 ( -4.405 -3.504 4.644) 7.297 5.499 ( -0.266 5.939 -6.262) 8.634 5.593 ( 0.502 -2.425 -3.884) 4.607 5.631 ( 1.263 6.251 -0.518) 6.399 5.726 ( 1.239 -0.694 2.348) 2.744 5.831 ( -2.656 4.054 4.714) 6.761 5.939 ( -1.177 -6.968 -1.573) 7.239 6.263 ( 5.033 5.276 3.746) 8.198 6.379 ( 6.454 -5.755 3.564) 9.353 6.461 ( 1.234 2.906 -9.236) 9.761 6.528 ( 3.600 -3.983 -7.821) 9.487 6.919 ( -5.312 3.106 -1.429) 6.317 6.984 ( -1.433 -3.652 -1.618) 4.243 7.477 ( 5.345 2.955 5.411) 8.160 7.517 ( 2.742 -0.449 3.338) 4.343 7.706 ( 0.358 2.973 -0.136) 2.997 7.723 ( 1.232 1.385 0.328) 1.883 7.963 ( 6.379 9.909 3.813) 12.386 8.045 ( -4.251 6.682 -8.075) 11.311 8.170 ( -0.710 -5.720 -3.944) 6.984 8.209 ( 3.053 -8.249 6.546) 10.964 8.414 ( -5.578 0.965 -8.787) 10.452 8.445 ( -4.478 -0.597 -7.618) 8.857 8.666 ( 0.031 5.441 0.801) 5.499 8.834 ( -0.168 -9.230 -1.769) 9.400 9.962 ( 0.132 7.417 2.505) 7.829 10.070 ( 1.911 -1.456 5.485) 5.988 10.239 ( -0.546 2.930 1.665) 3.414 10.272 ( 0.030 -3.147 0.684) 3.221 10.632 ( -3.699 6.201 -8.810) 11.391 10.838 ( -0.271 -10.970 -11.775) 16.095 10.931 ( -4.341 -1.446 -6.091) 7.619 10.975 ( 1.909 -3.501 -5.588) 6.865 11.424 ( 6.007 11.267 9.240) 15.761 11.491 ( 2.695 5.818 6.437) 9.086 11.608 ( -0.154 -4.435 7.723) 8.908 11.704 ( 4.885 -14.751 6.654) 16.903 11.929 ( -7.867 5.631 -9.175) 13.334 12.107 ( -8.722 -9.872 -7.324) 15.072 12.352 ( -0.304 4.969 -6.625) 8.287 12.475 ( -1.313 -5.804 -5.841) 8.338 13.488 ( -1.837 4.617 3.878) 6.304 13.554 ( -0.901 0.583 6.887) 6.970 13.849 ( -0.318 2.067 4.657) 5.105 13.906 ( 6.616 -1.099 5.044) 8.392 14.120 ( -0.250 0.106 -1.781) 1.801 14.167 ( -2.287 -3.339 -4.715) 6.214 14.723 ( 3.308 7.681 4.575) 9.533 14.894 ( -0.948 -8.546 2.273) 8.893 15.237 ( 2.463 6.491 1.844) 7.183 15.352 ( -0.083 -4.252 -0.589) 4.293 15.630 ( -4.605 3.264 -4.213) 7.043 15.708 ( -3.728 -4.313 -3.684) 6.788 16.107 ( 1.973 1.402 -0.060) 2.421 16.137 ( -0.041 -1.668 -0.697) 1.808 16.387 ( 6.984 3.241 0.446) 7.712 16.424 ( 5.273 -0.591 -0.040) 5.306 25.071 ( 0.806 1.744 0.267) 1.940 25.095 ( 0.239 -0.458 0.153) 0.539 25.159 ( 0.260 1.614 2.329) 2.846 25.199 ( -0.044 -2.184 1.986) 2.952 25.400 ( -0.185 3.183 3.520) 4.749 25.445 ( -1.301 0.297 4.239) 4.444 25.526 ( -0.077 -1.478 3.033) 3.375 25.555 ( -0.930 -2.675 3.375) 4.406 27.106 ( -0.868 0.743 0.513) 1.252 27.128 ( -1.459 -1.905 -0.578) 2.468 27.346 ( 0.299 4.577 0.280) 4.595 27.490 ( 0.694 -9.675 -2.955) 10.140 29.045 ( -4.043 1.195 -0.659) 4.267 29.088 ( -2.305 -3.296 -0.333) 4.036 30.228 ( 3.571 4.461 -5.667) 8.047 30.250 ( 4.988 2.205 -6.676) 8.620 ======================= Grid point 111 (61/104) ======================= q-point: ( 0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.385 ( -5.613 -0.324 19.095) 19.906 1.503 ( -18.111 -10.579 12.249) 24.289 2.220 ( 5.008 8.123 2.516) 9.869 2.376 ( 8.382 8.183 1.132) 11.769 2.437 ( 1.110 -12.983 -3.211) 13.420 2.588 ( 9.141 -10.757 -0.628) 14.130 2.693 ( -8.975 4.271 -3.922) 10.685 2.810 ( -5.169 -6.017 0.682) 7.962 3.121 ( -3.744 1.546 -1.606) 4.358 3.179 ( -4.139 -4.586 -3.946) 7.330 3.356 ( -1.587 6.692 -7.893) 10.469 3.486 ( 0.522 -6.643 -3.333) 7.450 3.542 ( 3.830 4.208 3.112) 6.486 3.615 ( 3.521 -2.560 2.961) 5.265 3.810 ( 4.297 11.330 4.708) 13.000 4.000 ( 1.259 -5.108 3.446) 6.289 4.356 ( -0.274 4.142 10.726) 11.501 4.453 ( -1.981 -3.741 11.219) 11.991 4.658 ( -6.560 17.931 5.248) 19.801 4.868 ( -5.326 4.193 4.821) 8.318 4.934 ( -4.842 -1.996 5.178) 7.365 4.955 ( -2.960 -7.999 -0.539) 8.546 5.075 ( -2.781 -0.661 4.617) 5.430 5.126 ( 0.275 -4.168 5.113) 6.603 5.471 ( 1.468 5.243 -7.262) 9.077 5.533 ( -3.121 -0.535 -1.073) 3.344 5.673 ( 2.647 2.143 -4.691) 5.797 5.743 ( -0.298 -1.478 0.726) 1.673 5.867 ( 0.641 2.262 7.276) 7.647 5.926 ( 1.468 -5.297 -0.778) 5.551 6.353 ( 2.652 6.790 -1.508) 7.444 6.445 ( 1.907 -0.176 -0.945) 2.136 6.483 ( 6.401 1.802 -6.834) 9.536 6.622 ( 8.589 -9.681 -2.862) 13.254 6.826 ( -4.561 6.722 0.218) 8.126 6.954 ( -1.638 -6.243 -0.935) 6.522 7.530 ( -1.698 3.005 2.099) 4.040 7.549 ( -1.109 1.378 0.336) 1.801 7.646 ( -4.402 2.533 -3.765) 6.322 7.726 ( -2.273 -4.321 -1.506) 5.110 7.952 ( -0.372 8.974 -5.675) 10.624 8.086 ( 0.602 -2.358 -0.908) 2.597 8.141 ( 2.887 5.105 2.259) 6.285 8.214 ( -4.729 1.552 -6.554) 8.229 8.322 ( 0.044 0.450 -7.921) 7.934 8.392 ( 6.582 -6.133 3.759) 9.750 8.681 ( -0.254 2.340 0.517) 2.410 8.780 ( -2.505 -7.215 -2.926) 8.179 9.992 ( 0.753 8.213 4.270) 9.287 10.123 ( 0.342 -1.738 4.580) 4.910 10.260 ( -1.868 1.846 3.219) 4.155 10.276 ( 3.207 -1.586 -1.188) 3.770 10.543 ( -2.703 3.562 -3.054) 5.415 10.717 ( -2.120 -12.036 -5.622) 13.452 10.938 ( 2.348 1.823 -1.974) 3.568 10.972 ( -0.859 0.006 -1.193) 1.470 11.436 ( -2.314 6.774 -3.001) 7.762 11.560 ( -5.796 -3.111 -7.260) 9.797 11.655 ( 4.483 3.239 11.028) 12.337 11.783 ( 3.037 -7.515 1.389) 8.224 11.889 ( 4.315 -1.256 6.764) 8.121 12.013 ( 0.223 -10.444 1.970) 10.631 12.332 ( 2.780 6.516 -4.529) 8.408 12.449 ( 2.191 -4.888 -3.346) 6.316 13.432 ( -5.672 1.625 0.259) 5.906 13.476 ( -7.337 -2.251 0.446) 7.687 13.940 ( 2.899 8.675 7.982) 12.140 14.025 ( 3.056 2.009 -1.545) 3.970 14.088 ( -3.281 -1.530 -4.718) 5.947 14.117 ( 1.375 -3.793 1.703) 4.379 14.676 ( -5.065 4.172 -5.503) 8.565 14.804 ( -6.843 -8.145 -4.070) 11.390 15.303 ( 2.684 5.421 2.075) 6.395 15.367 ( -1.246 -2.066 3.560) 4.300 15.582 ( 1.726 4.548 -0.581) 4.899 15.699 ( 3.241 -5.923 0.391) 6.763 16.103 ( -0.177 2.204 -2.797) 3.565 16.149 ( 0.630 -2.181 -2.035) 3.049 16.507 ( 4.930 1.982 -0.412) 5.330 16.513 ( 4.646 1.173 0.221) 4.797 25.093 ( 1.298 0.932 0.389) 1.645 25.101 ( 0.073 0.277 0.830) 0.878 25.184 ( 0.637 0.851 2.624) 2.831 25.215 ( 0.317 -2.189 2.141) 3.078 25.400 ( -1.315 4.946 1.602) 5.362 25.450 ( -1.130 3.814 5.052) 6.430 25.526 ( -1.070 -4.238 -0.219) 4.377 25.569 ( -0.740 -4.649 5.983) 7.613 27.101 ( -0.178 1.248 1.218) 1.753 27.127 ( 1.230 -0.633 2.026) 2.453 27.358 ( 0.388 2.476 0.989) 2.694 27.474 ( -0.146 -8.941 -4.464) 9.995 28.976 ( -2.871 2.226 0.115) 3.635 29.039 ( -2.395 -4.315 -0.299) 4.944 30.241 ( 1.965 5.325 -7.082) 9.076 30.283 ( 3.159 1.005 -7.555) 8.250 ======================= Grid point 112 (62/104) ======================= q-point: (-0.50 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.329 ( -11.076 1.274 18.436) 21.545 1.463 ( 1.654 -11.886 17.203) 20.975 2.323 ( 4.436 9.133 2.075) 10.364 2.386 ( -3.934 6.670 -3.212) 8.384 2.519 ( 0.280 -6.263 -1.778) 6.517 2.594 ( 1.352 2.833 9.470) 9.977 2.689 ( 7.001 -6.457 -3.310) 10.083 2.842 ( 6.623 -11.709 1.201) 13.506 3.057 ( -1.017 0.941 -5.007) 5.195 3.097 ( 0.076 -2.877 -6.887) 7.464 3.328 ( 1.514 6.831 -4.263) 8.193 3.447 ( -2.570 -4.749 -5.433) 7.660 3.663 ( 7.132 6.701 2.230) 10.037 3.735 ( 6.547 -0.488 6.885) 9.514 3.878 ( -3.803 11.640 9.730) 15.640 4.020 ( -5.186 -0.071 9.888) 11.166 4.358 ( -0.325 1.068 -0.219) 1.138 4.419 ( -7.506 -5.822 9.144) 13.185 4.574 ( -5.333 12.519 5.768) 14.779 4.787 ( -4.394 -1.990 3.136) 5.753 4.880 ( -3.217 2.608 2.035) 4.614 4.959 ( -0.256 -5.798 1.247) 5.936 5.041 ( -2.228 1.636 2.672) 3.845 5.136 ( -1.978 -6.586 2.889) 7.459 5.471 ( 3.105 5.267 -6.827) 9.165 5.502 ( -0.493 1.707 2.859) 3.366 5.684 ( 2.527 -0.974 -6.669) 7.197 5.738 ( -0.387 -3.823 1.620) 4.170 5.902 ( -0.179 1.926 3.474) 3.977 5.953 ( -0.183 -3.012 2.771) 4.097 6.367 ( 0.940 6.012 -1.812) 6.349 6.463 ( -1.688 -2.452 2.040) 3.609 6.572 ( 6.577 4.781 -6.978) 10.715 6.712 ( -0.127 -7.160 -5.946) 9.308 6.783 ( 3.663 3.591 2.166) 5.568 6.906 ( -1.624 -7.227 -2.462) 7.805 7.475 ( -3.777 3.296 -1.790) 5.323 7.519 ( -4.674 3.477 -0.697) 5.867 7.539 ( -0.835 -1.866 -0.816) 2.201 7.607 ( -7.446 -5.299 -3.711) 9.863 7.860 ( -9.182 7.794 -3.053) 12.424 8.008 ( -6.536 -5.345 -6.160) 10.452 8.181 ( 7.450 3.616 -5.547) 9.967 8.231 ( 8.694 -0.776 -2.586) 9.103 8.420 ( 7.357 6.403 1.187) 9.825 8.521 ( 5.192 -3.390 2.232) 6.590 8.692 ( 1.121 1.369 3.417) 3.848 8.745 ( -0.584 -4.527 -0.861) 4.645 10.030 ( -0.029 7.371 5.065) 8.944 10.150 ( -0.333 -2.713 3.821) 4.698 10.218 ( -3.018 4.653 0.722) 5.593 10.325 ( 2.032 -6.422 -1.585) 6.920 10.486 ( -2.011 6.294 -0.852) 6.662 10.676 ( -0.573 -10.541 -2.940) 10.958 10.953 ( 0.079 4.057 1.182) 4.227 10.973 ( 2.346 1.415 -0.277) 2.754 11.383 ( -0.052 -0.075 -8.314) 8.314 11.405 ( -3.376 -1.119 -8.088) 8.835 11.757 ( 1.163 4.408 12.667) 13.463 11.912 ( 5.158 -9.637 8.989) 14.152 11.989 ( 1.083 -0.683 1.083) 1.677 12.041 ( 2.532 -4.218 -3.437) 6.001 12.431 ( 8.862 4.252 1.761) 9.986 12.537 ( 7.516 -5.984 2.057) 9.825 13.277 ( -8.741 3.044 -2.925) 9.708 13.367 ( -4.482 -5.580 -2.416) 7.554 13.929 ( -5.041 5.812 0.488) 7.709 13.994 ( -2.913 -0.940 -5.630) 6.408 14.082 ( 4.227 5.890 -0.156) 7.252 14.173 ( 0.710 -2.900 5.461) 6.224 14.542 ( -5.384 2.815 -7.291) 9.491 14.659 ( -5.409 -8.205 -5.331) 11.180 15.338 ( 0.197 1.047 3.132) 3.309 15.347 ( -2.709 -0.462 3.840) 4.722 15.679 ( 7.134 6.211 1.950) 9.658 15.781 ( 4.423 -3.433 1.370) 5.764 16.073 ( -0.971 2.488 -4.285) 5.050 16.120 ( -1.166 -2.064 -5.452) 5.945 16.538 ( -1.172 2.881 0.949) 3.252 16.579 ( 1.337 -0.924 0.201) 1.638 25.109 ( 0.107 0.567 1.638) 1.737 25.117 ( 0.792 -0.104 0.725) 1.079 25.198 ( -1.217 1.053 2.996) 3.401 25.228 ( -0.178 -1.801 1.508) 2.356 25.381 ( -1.491 5.627 0.844) 5.882 25.458 ( -1.170 5.344 3.495) 6.491 25.500 ( -1.186 -6.097 0.655) 6.245 25.580 ( -2.254 -6.738 5.978) 9.285 27.120 ( 0.954 3.367 2.153) 4.109 27.186 ( 2.827 -1.657 4.013) 5.181 27.365 ( -0.384 1.026 0.669) 1.284 27.436 ( -0.405 -5.416 -5.014) 7.392 28.956 ( 0.653 1.430 0.519) 1.655 29.013 ( 0.004 -4.329 -0.489) 4.356 30.216 ( 0.286 6.005 -7.699) 9.768 30.275 ( 1.297 0.013 -8.469) 8.568 ======================= Grid point 113 (63/104) ======================= q-point: (-0.33 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.287 ( -5.128 11.133 14.121) 18.699 1.611 ( 5.156 -20.324 9.197) 22.897 2.236 ( -5.190 18.193 4.898) 19.543 2.491 ( 0.830 -7.993 -2.332) 8.367 2.552 ( 9.390 3.566 2.497) 10.350 2.707 ( 7.886 -6.952 3.674) 11.136 2.775 ( -2.132 1.347 3.514) 4.325 2.885 ( -0.668 -5.335 -0.235) 5.382 3.015 ( 0.022 2.278 -11.907) 12.123 3.097 ( 0.278 -5.521 -12.145) 13.344 3.334 ( 3.487 5.371 2.537) 6.888 3.442 ( 5.672 -4.597 2.993) 7.890 3.788 ( 2.409 17.843 -4.721) 18.613 3.796 ( -8.970 13.617 20.033) 25.830 3.882 ( 1.115 1.852 9.953) 10.185 3.952 ( -3.963 6.995 3.547) 8.787 4.307 ( -6.622 -9.467 2.047) 11.733 4.372 ( 0.553 -10.234 -2.991) 10.676 4.565 ( 0.647 7.693 5.439) 9.443 4.755 ( -1.562 -6.676 3.929) 7.902 4.837 ( -4.214 6.528 5.555) 9.552 4.952 ( 0.458 -3.676 0.896) 3.812 5.027 ( -1.058 -1.388 -1.090) 2.058 5.099 ( -2.780 -8.420 0.910) 8.914 5.493 ( 3.802 5.484 -6.543) 9.346 5.545 ( 2.531 1.398 2.375) 3.742 5.693 ( 1.616 2.489 -1.024) 3.139 5.770 ( 2.945 -3.408 1.304) 4.689 5.903 ( -1.623 1.215 2.461) 3.188 5.952 ( -0.737 -4.368 1.281) 4.611 6.322 ( -7.590 3.938 2.732) 8.976 6.391 ( -7.587 -3.359 3.151) 8.875 6.567 ( 0.427 4.217 -11.604) 12.354 6.678 ( 3.368 -6.804 -9.696) 12.315 6.927 ( 5.627 0.873 1.301) 5.841 6.951 ( 10.697 -1.021 4.621) 11.697 7.326 ( -9.778 1.033 -0.966) 9.880 7.369 ( -11.259 -2.815 -2.935) 11.970 7.551 ( 2.527 1.553 4.145) 5.097 7.602 ( 3.900 -2.948 4.106) 6.384 7.687 ( -5.243 6.741 -5.106) 9.950 7.851 ( -4.234 -7.530 -7.161) 11.221 8.315 ( 7.054 4.067 -4.931) 9.519 8.363 ( 6.462 -0.864 -3.670) 7.481 8.477 ( -0.474 6.321 -1.388) 6.489 8.590 ( 1.173 -4.843 -2.118) 5.414 8.744 ( 1.893 2.482 2.515) 4.009 8.765 ( 2.571 -0.002 3.543) 4.377 10.030 ( -3.290 6.013 4.063) 7.968 10.149 ( -1.136 -3.480 3.665) 5.180 10.175 ( -3.247 4.577 1.185) 5.735 10.326 ( -0.635 -8.807 -0.844) 8.870 10.501 ( 5.570 9.927 -3.083) 11.792 10.681 ( 3.754 -6.903 -3.461) 8.586 10.991 ( 2.657 2.235 1.605) 3.825 11.022 ( 2.573 0.543 2.669) 3.746 11.310 ( -0.405 2.645 -6.860) 7.364 11.387 ( 2.832 -4.954 -7.075) 9.089 11.805 ( -4.250 6.633 -2.436) 8.246 11.966 ( 1.763 -2.091 -1.899) 3.330 11.992 ( -2.241 -1.763 1.620) 3.279 12.128 ( 6.687 -9.116 11.427) 16.075 12.593 ( 5.095 1.872 0.544) 5.455 12.662 ( 2.751 -5.230 0.812) 5.965 13.152 ( -1.373 5.597 -2.804) 6.409 13.295 ( -1.104 -7.951 -1.572) 8.180 13.859 ( -1.930 5.671 -0.088) 5.992 13.942 ( 0.502 -2.133 -3.733) 4.329 14.143 ( 1.955 4.837 2.663) 5.857 14.217 ( 1.619 -2.701 6.111) 6.874 14.394 ( -6.840 4.762 -4.677) 9.557 14.541 ( -4.729 -8.928 -4.221) 10.950 15.328 ( -2.044 1.723 4.094) 4.890 15.364 ( 0.248 -1.557 4.043) 4.340 15.816 ( 6.169 4.749 0.006) 7.785 15.871 ( 5.230 -0.369 0.857) 5.312 16.012 ( -2.557 3.092 -5.083) 6.476 16.066 ( -0.136 -1.805 -6.505) 6.753 16.477 ( -6.341 3.504 2.037) 7.525 16.554 ( -4.489 -3.672 0.743) 5.847 25.122 ( -0.244 0.024 1.494) 1.514 25.124 ( -0.326 -0.023 0.577) 0.663 25.176 ( -2.629 2.192 2.408) 4.185 25.219 ( -1.936 -1.708 1.975) 3.251 25.363 ( -0.918 4.773 0.857) 4.936 25.441 ( -1.195 -0.773 0.087) 1.425 25.509 ( -0.305 -2.656 5.158) 5.809 25.560 ( -3.313 -5.536 5.168) 8.266 27.147 ( 0.357 3.637 2.010) 4.170 27.236 ( -0.505 -4.795 1.542) 5.062 27.361 ( 0.798 3.538 -0.568) 3.671 27.427 ( 1.665 -2.574 -1.524) 3.424 29.000 ( 3.639 0.291 0.055) 3.651 29.037 ( 2.883 -3.742 -0.496) 4.750 30.172 ( 0.089 6.283 -7.136) 9.508 30.236 ( 0.327 -0.246 -8.448) 8.458 ======================= Grid point 114 (64/104) ======================= q-point: (-0.17 0.43 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.310 ( 1.080 18.149 7.332) 19.604 1.748 ( 6.555 -24.302 1.469) 25.213 2.197 ( -5.830 17.401 7.721) 19.909 2.471 ( -2.829 -9.488 -0.657) 9.923 2.649 ( 0.356 -0.073 -7.153) 7.163 2.690 ( -6.842 -2.085 6.266) 9.509 2.820 ( -5.465 -1.791 -2.275) 6.184 2.854 ( 1.634 -2.232 -1.972) 3.397 3.003 ( 6.354 0.531 -6.127) 8.843 3.022 ( 7.135 -0.878 -4.687) 8.581 3.476 ( 5.711 4.666 2.259) 7.713 3.590 ( 4.833 -5.697 4.013) 8.480 3.725 ( -6.210 16.351 18.150) 25.206 3.775 ( -4.882 12.536 0.025) 13.453 3.841 ( -6.977 5.560 10.830) 14.032 3.998 ( 2.882 12.609 -1.629) 13.037 4.185 ( -4.242 -11.026 -5.226) 12.918 4.355 ( -3.933 -11.881 -4.966) 13.465 4.596 ( 0.782 5.236 5.625) 7.724 4.781 ( 2.066 -7.933 4.500) 9.351 4.843 ( 0.753 1.575 6.738) 6.961 4.945 ( -2.358 -4.033 -0.139) 4.673 5.040 ( 3.572 0.624 2.781) 4.570 5.088 ( 1.568 -6.034 1.778) 6.483 5.517 ( 2.404 4.791 -4.511) 7.006 5.581 ( 0.785 0.074 -1.878) 2.037 5.734 ( 1.137 5.705 1.351) 5.972 5.816 ( -0.399 0.434 1.576) 1.682 5.890 ( -0.892 -0.677 3.690) 3.856 5.946 ( -1.689 -6.492 0.879) 6.766 6.192 ( -5.989 2.580 3.177) 7.254 6.254 ( -6.472 -3.621 1.556) 7.578 6.539 ( 2.028 3.243 -9.396) 10.145 6.632 ( -1.914 -5.582 -8.645) 10.467 7.100 ( 7.943 5.613 0.799) 9.759 7.142 ( -1.211 -0.652 -3.534) 3.792 7.165 ( -4.250 0.232 1.336) 4.461 7.228 ( 4.663 -4.262 7.948) 10.153 7.597 ( 0.682 1.450 -1.694) 2.331 7.654 ( 2.679 -2.592 -1.534) 4.031 7.696 ( 3.707 5.590 6.047) 9.031 7.845 ( 4.490 -8.170 7.389) 11.896 8.321 ( -1.181 3.280 -9.080) 9.726 8.358 ( -1.877 0.221 -7.619) 7.849 8.474 ( 0.384 5.366 -0.304) 5.389 8.571 ( -0.514 -3.299 -3.285) 4.684 8.776 ( 0.615 3.318 -0.395) 3.398 8.820 ( 0.629 -1.063 0.909) 1.533 9.988 ( -3.013 5.509 3.229) 7.061 10.085 ( -5.408 -1.500 1.817) 5.899 10.193 ( 1.924 0.796 2.851) 3.530 10.301 ( -1.667 -7.494 -0.536) 7.696 10.622 ( 9.865 8.961 -7.244) 15.169 10.750 ( 5.963 -3.432 -6.142) 9.223 11.056 ( 3.081 3.586 4.570) 6.575 11.132 ( 6.307 -1.289 7.612) 9.969 11.263 ( -2.273 4.950 -6.239) 8.282 11.380 ( -0.138 -6.736 -8.083) 10.523 11.629 ( -7.985 5.184 -5.863) 11.181 11.804 ( -8.559 -10.775 -10.086) 17.061 12.110 ( 3.910 7.975 5.325) 10.356 12.305 ( 5.497 -9.949 5.596) 12.669 12.558 ( -6.220 1.429 -5.598) 8.489 12.640 ( -2.806 -6.255 -3.804) 7.840 13.210 ( 7.417 6.623 0.529) 9.958 13.336 ( 4.648 -5.391 3.663) 8.005 13.836 ( -2.631 4.905 2.130) 5.960 13.949 ( -0.416 -5.579 1.789) 5.874 14.185 ( -1.237 5.497 1.035) 5.729 14.285 ( 0.799 4.484 2.460) 5.177 14.320 ( 2.172 -1.364 2.421) 3.527 14.496 ( 5.290 -9.712 3.971) 11.750 15.306 ( -3.222 4.263 2.651) 5.965 15.388 ( -0.490 -3.717 3.978) 5.466 15.873 ( 1.668 2.923 -5.091) 6.102 15.906 ( -2.100 -0.333 -6.503) 6.841 15.997 ( 3.822 5.629 -2.169) 7.141 16.064 ( 3.989 -1.144 -1.586) 4.443 16.358 ( -7.213 2.753 3.024) 8.292 16.440 ( -7.958 -4.988 1.884) 9.579 25.095 ( -1.951 1.675 -0.364) 2.597 25.120 ( -1.140 -0.701 -0.488) 1.425 25.153 ( -1.515 1.809 3.302) 4.058 25.197 ( -1.700 -2.166 2.948) 4.034 25.359 ( -0.241 3.827 1.637) 4.169 25.432 ( -0.501 -3.138 1.909) 3.706 25.529 ( -2.235 -2.413 5.016) 5.998 25.537 ( -0.984 -2.227 4.417) 5.043 27.151 ( -0.940 1.866 0.920) 2.283 27.203 ( -1.883 -3.191 -1.507) 4.000 27.367 ( -0.242 5.082 -1.059) 5.197 27.465 ( 2.139 -4.616 0.260) 5.094 29.071 ( 3.822 -0.561 -0.717) 3.929 29.092 ( 2.756 -2.908 -0.667) 4.062 30.150 ( 2.160 5.792 -5.817) 8.488 30.201 ( 1.226 0.824 -7.155) 7.306 ======================= Grid point 133 (65/104) ======================= q-point: ( 0.00 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.876 ( -11.055 0.000 26.046) 28.295 1.932 ( 4.810 0.000 27.458) 27.876 2.627 ( 10.831 0.000 -13.047) 16.957 2.675 ( -5.011 0.000 -7.710) 9.196 2.819 ( -4.443 0.000 1.032) 4.561 2.837 ( 2.216 0.000 2.057) 3.023 2.924 ( -0.114 0.000 -5.706) 5.708 2.924 ( 9.293 0.000 -1.450) 9.405 3.070 ( 5.765 0.000 1.016) 5.854 3.123 ( 0.984 0.000 5.601) 5.687 3.272 ( 3.802 0.000 7.987) 8.846 3.397 ( -3.055 0.000 -1.680) 3.487 3.702 ( -3.438 0.000 33.573) 33.749 3.788 ( 9.021 0.000 9.571) 13.152 3.841 ( 0.098 0.000 3.694) 3.695 3.924 ( 1.435 0.000 -3.932) 4.186 4.103 ( -4.951 0.000 9.550) 10.757 4.454 ( -2.076 0.000 -9.528) 9.751 4.461 ( -7.544 0.000 0.647) 7.571 4.663 ( -0.634 0.000 8.173) 8.198 4.825 ( -6.096 0.000 -1.051) 6.186 4.879 ( 2.143 0.000 -3.924) 4.472 4.890 ( 1.054 0.000 -11.149) 11.198 5.006 ( 5.730 0.000 -11.625) 12.960 5.296 ( -4.412 0.000 2.010) 4.849 5.518 ( -9.633 0.000 -7.357) 12.121 5.706 ( -2.046 0.000 -6.414) 6.733 5.725 ( -1.562 0.000 -1.714) 2.319 6.076 ( -1.523 0.000 8.398) 8.535 6.162 ( 6.221 0.000 0.809) 6.273 6.247 ( -2.405 0.000 2.728) 3.637 6.378 ( -2.630 0.000 2.001) 3.304 6.474 ( -4.940 0.000 -4.039) 6.381 6.616 ( 9.068 0.000 -10.024) 13.517 6.882 ( -10.409 0.000 -0.594) 10.426 6.935 ( 14.885 0.000 1.393) 14.950 7.213 ( -4.457 0.000 1.869) 4.833 7.225 ( 4.777 0.000 -3.246) 5.775 7.408 ( -1.393 0.000 0.743) 1.579 7.571 ( -0.936 0.000 -4.046) 4.152 7.804 ( 5.633 0.000 -4.152) 6.998 7.821 ( -5.973 0.000 -0.898) 6.040 7.947 ( -5.428 0.000 1.586) 5.655 8.272 ( 1.283 0.000 -0.923) 1.581 8.579 ( -10.674 0.000 -0.917) 10.713 8.583 ( -2.541 0.000 -10.656) 10.955 8.746 ( 2.890 0.000 4.749) 5.560 8.905 ( 12.157 0.000 -2.338) 12.379 9.910 ( -4.669 0.000 4.636) 6.579 9.977 ( 2.888 0.000 1.508) 3.258 10.216 ( -3.755 0.000 2.122) 4.313 10.287 ( 3.543 0.000 -1.333) 3.786 10.783 ( -5.530 0.000 5.555) 7.838 10.908 ( 2.407 0.000 -2.464) 3.445 10.992 ( 6.650 0.000 0.455) 6.666 11.293 ( -0.989 0.000 -4.471) 4.579 11.303 ( 3.410 0.000 12.838) 13.284 11.338 ( 11.655 0.000 7.038) 13.615 11.651 ( -0.128 0.000 6.117) 6.119 11.882 ( -14.568 0.000 -3.071) 14.888 12.134 ( 4.621 0.000 -5.638) 7.289 12.139 ( 5.250 0.000 -14.167) 15.109 12.472 ( -2.111 0.000 -9.963) 10.185 12.678 ( -6.168 0.000 -14.985) 16.205 13.228 ( 0.219 0.000 6.791) 6.795 13.475 ( -2.280 0.000 -4.860) 5.368 13.931 ( 1.721 0.000 11.161) 11.292 14.089 ( 9.084 0.000 0.424) 9.094 14.283 ( -3.577 0.000 7.664) 8.458 14.411 ( 11.274 0.000 1.931) 11.439 14.579 ( -13.187 0.000 -5.218) 14.182 14.647 ( -3.964 0.000 -8.934) 9.774 15.360 ( 3.089 0.000 1.123) 3.286 15.365 ( -3.014 0.000 1.756) 3.488 15.560 ( 7.867 0.000 3.991) 8.822 15.676 ( -2.075 0.000 -0.808) 2.227 15.974 ( 8.641 0.000 6.492) 10.808 16.132 ( 1.380 0.000 -1.472) 2.018 16.253 ( -3.643 0.000 3.178) 4.834 16.419 ( -6.744 0.000 -4.364) 8.033 25.015 ( -1.122 0.000 0.366) 1.180 25.050 ( 0.552 0.000 -1.161) 1.285 25.175 ( -2.579 0.000 2.710) 3.741 25.233 ( 2.014 0.000 0.912) 2.211 25.410 ( 3.428 0.000 5.512) 6.491 25.587 ( -5.722 0.000 -1.134) 5.833 25.700 ( -4.833 0.000 4.210) 6.409 25.757 ( -5.302 0.000 -1.687) 5.564 27.055 ( -1.395 0.000 2.218) 2.621 27.225 ( 1.835 0.000 -6.061) 6.333 27.512 ( -0.476 0.000 12.082) 12.091 28.027 ( 11.850 0.000 -13.602) 18.039 29.082 ( -3.352 0.000 5.745) 6.651 29.361 ( 4.751 0.000 -7.857) 9.182 29.558 ( -1.191 0.000 1.069) 1.600 29.603 ( 2.356 0.000 -1.467) 2.775 ======================= Grid point 134 (66/104) ======================= q-point: ( 0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.858 ( -5.327 0.000 22.898) 23.510 2.196 ( 7.110 0.000 23.029) 24.101 2.486 ( -10.378 0.000 -7.780) 12.970 2.573 ( -13.774 0.000 -0.529) 13.784 2.740 ( -8.723 0.000 -7.365) 11.417 2.747 ( 3.404 0.000 -10.852) 11.373 2.907 ( -0.165 0.000 -2.724) 2.729 3.080 ( 4.423 0.000 -2.615) 5.138 3.141 ( 3.549 0.000 -4.482) 5.717 3.166 ( 1.695 0.000 -0.142) 1.701 3.313 ( -2.207 0.000 2.888) 3.634 3.376 ( 2.096 0.000 -2.076) 2.950 3.760 ( -3.532 0.000 13.179) 13.644 3.838 ( -2.860 0.000 0.696) 2.943 3.902 ( -7.889 0.000 -1.680) 8.066 4.036 ( -0.802 0.000 6.909) 6.956 4.136 ( 7.771 0.000 25.661) 26.812 4.346 ( -7.171 0.000 2.092) 7.470 4.355 ( 0.668 0.000 -2.518) 2.605 4.645 ( -2.751 0.000 3.292) 4.290 4.725 ( -5.043 0.000 3.156) 5.949 4.863 ( 2.610 0.000 -9.929) 10.267 4.905 ( 1.452 0.000 1.915) 2.404 5.008 ( 2.743 0.000 -14.908) 15.158 5.337 ( 4.099 0.000 8.757) 9.669 5.384 ( -1.028 0.000 0.175) 1.042 5.635 ( -0.683 0.000 -7.972) 8.001 5.739 ( 2.719 0.000 1.616) 3.163 6.020 ( -6.721 0.000 4.483) 8.079 6.194 ( 0.607 0.000 -3.376) 3.430 6.257 ( -0.043 0.000 7.818) 7.818 6.404 ( -3.514 0.000 -1.504) 3.822 6.413 ( 3.573 0.000 1.564) 3.900 6.691 ( -7.247 0.000 -2.752) 7.752 6.803 ( 16.476 0.000 -9.204) 18.872 7.168 ( -0.269 0.000 -0.646) 0.700 7.169 ( 8.356 0.000 -5.292) 9.891 7.384 ( 7.625 0.000 1.734) 7.820 7.434 ( 7.122 0.000 3.705) 8.028 7.556 ( 1.409 0.000 -4.207) 4.437 7.649 ( -2.753 0.000 0.198) 2.760 7.973 ( 11.659 0.000 2.092) 11.846 7.980 ( 0.211 0.000 7.186) 7.189 8.197 ( -4.661 0.000 -11.379) 12.297 8.305 ( -17.522 0.000 -0.718) 17.537 8.488 ( -4.395 0.000 3.116) 5.388 8.772 ( -2.227 0.000 -0.008) 2.227 9.038 ( 4.568 0.000 -7.759) 9.004 9.864 ( -2.479 0.000 5.351) 5.898 10.046 ( 2.786 0.000 2.097) 3.487 10.180 ( -0.487 0.000 1.472) 1.551 10.372 ( 5.405 0.000 -1.371) 5.576 10.688 ( -7.713 0.000 4.734) 9.050 10.892 ( -2.826 0.000 -2.907) 4.054 11.089 ( 1.138 0.000 4.519) 4.660 11.248 ( 3.848 0.000 -9.845) 10.570 11.350 ( -7.080 0.000 1.793) 7.303 11.510 ( -2.433 0.000 -3.157) 3.985 11.702 ( 1.421 0.000 2.737) 3.084 11.724 ( 5.733 0.000 16.491) 17.459 12.062 ( -4.285 0.000 -13.724) 14.377 12.167 ( 1.688 0.000 -12.631) 12.743 12.511 ( 6.626 0.000 2.082) 6.945 12.515 ( 1.124 0.000 -8.288) 8.364 13.319 ( 5.393 0.000 7.251) 9.037 13.453 ( 2.279 0.000 -4.623) 5.154 13.899 ( -8.904 0.000 1.715) 9.068 14.117 ( -5.278 0.000 -3.478) 6.321 14.190 ( -14.537 0.000 0.831) 14.561 14.419 ( 0.327 0.000 7.994) 8.001 14.569 ( 1.992 0.000 -5.551) 5.898 14.615 ( 7.942 0.000 1.957) 8.179 15.316 ( -2.915 0.000 -0.102) 2.916 15.402 ( 1.263 0.000 1.174) 1.724 15.598 ( -3.868 0.000 -4.573) 5.990 15.714 ( 6.190 0.000 1.358) 6.337 16.068 ( -2.012 0.000 1.458) 2.485 16.072 ( -5.467 0.000 -6.425) 8.437 16.324 ( 7.037 0.000 7.582) 10.345 16.359 ( 2.688 0.000 0.875) 2.826 25.025 ( 1.553 0.000 0.856) 1.773 25.075 ( 2.981 0.000 -0.832) 3.095 25.145 ( -2.041 0.000 2.548) 3.265 25.285 ( 2.229 0.000 -0.209) 2.239 25.402 ( -8.868 0.000 0.828) 8.907 25.471 ( -1.729 0.000 6.597) 6.820 25.685 ( 0.790 0.000 5.274) 5.333 25.812 ( 5.685 0.000 4.243) 7.094 27.049 ( -0.941 0.000 3.000) 3.144 27.224 ( 1.979 0.000 -6.768) 7.052 27.504 ( -7.134 0.000 8.431) 11.044 27.969 ( -5.205 0.000 -17.581) 18.336 29.090 ( 0.384 0.000 6.012) 6.024 29.465 ( 9.968 0.000 -9.426) 13.719 29.533 ( -2.033 0.000 0.801) 2.185 29.640 ( 3.134 0.000 -2.985) 4.328 ======================= Grid point 135 (67/104) ======================= q-point: ( 0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.938 ( -2.613 0.000 12.401) 12.673 2.228 ( -10.653 0.000 1.718) 10.791 2.232 ( -18.890 0.000 2.942) 19.118 2.468 ( 4.364 0.000 15.666) 16.262 2.567 ( -3.096 0.000 -9.891) 10.364 2.699 ( -1.164 0.000 -10.563) 10.627 2.891 ( 0.533 0.000 -2.346) 2.405 2.998 ( -8.841 0.000 -1.999) 9.064 3.121 ( -4.459 0.000 -4.103) 6.059 3.184 ( 3.264 0.000 -12.955) 13.360 3.266 ( -4.454 0.000 3.009) 5.375 3.364 ( -0.177 0.000 -8.906) 8.908 3.730 ( -3.155 0.000 -2.616) 4.099 3.792 ( -2.746 0.000 0.971) 2.913 3.819 ( 0.144 0.000 6.403) 6.405 3.946 ( -5.393 0.000 5.329) 7.582 4.209 ( -14.221 0.000 14.335) 20.193 4.399 ( 2.391 0.000 -1.921) 3.067 4.424 ( 5.410 0.000 22.578) 23.218 4.677 ( 0.676 0.000 5.614) 5.655 4.689 ( -0.155 0.000 2.729) 2.733 4.867 ( 4.994 0.000 -9.269) 10.529 4.945 ( -0.180 0.000 -11.036) 11.038 4.948 ( 1.090 0.000 1.510) 1.863 5.449 ( 5.301 0.000 2.682) 5.941 5.475 ( 2.872 0.000 10.836) 11.211 5.613 ( 4.173 0.000 -6.617) 7.823 5.821 ( 4.520 0.000 1.942) 4.919 5.972 ( -0.670 0.000 3.545) 3.608 6.205 ( -0.410 0.000 -1.793) 1.839 6.277 ( -2.487 0.000 5.872) 6.377 6.315 ( -1.795 0.000 -1.453) 2.309 6.498 ( 2.035 0.000 6.122) 6.451 6.613 ( 0.566 0.000 -2.835) 2.891 7.029 ( 12.780 0.000 -10.510) 16.546 7.158 ( -1.259 0.000 -8.932) 9.020 7.227 ( 7.114 0.000 1.586) 7.288 7.457 ( 2.839 0.000 3.383) 4.416 7.573 ( 2.342 0.000 -1.318) 2.688 7.650 ( 7.772 0.000 2.345) 8.118 7.769 ( 6.183 0.000 4.666) 7.746 7.974 ( -8.635 0.000 -1.543) 8.772 8.026 ( -3.364 0.000 -13.507) 13.920 8.084 ( 2.921 0.000 9.273) 9.722 8.184 ( 6.324 0.000 5.306) 8.255 8.435 ( -3.924 0.000 3.045) 4.967 8.671 ( -7.022 0.000 -2.530) 7.464 8.966 ( -5.794 0.000 -11.056) 12.482 9.895 ( 1.427 0.000 6.274) 6.434 10.080 ( -0.340 0.000 1.604) 1.640 10.221 ( 2.642 0.000 2.616) 3.718 10.450 ( 4.383 0.000 -2.136) 4.876 10.599 ( -4.826 0.000 6.949) 8.461 10.806 ( -3.448 0.000 -3.232) 4.726 11.046 ( -7.873 0.000 3.121) 8.469 11.194 ( -6.572 0.000 -0.606) 6.600 11.286 ( 2.468 0.000 -7.410) 7.810 11.356 ( -4.372 0.000 -10.430) 11.309 11.851 ( 3.904 0.000 -7.685) 8.620 11.929 ( 1.681 0.000 10.393) 10.528 11.957 ( 6.506 0.000 0.488) 6.524 11.990 ( -6.158 0.000 -6.477) 8.937 12.654 ( 6.105 0.000 4.876) 7.814 12.668 ( 13.738 0.000 -1.883) 13.866 13.476 ( 3.407 0.000 -6.465) 7.307 13.486 ( 5.386 0.000 8.083) 9.713 13.706 ( -9.751 0.000 -1.195) 9.824 13.897 ( -13.940 0.000 -1.996) 14.082 13.939 ( -9.380 0.000 -4.992) 10.626 14.521 ( -3.239 0.000 -7.552) 8.217 14.548 ( 4.560 0.000 12.490) 13.297 14.772 ( 6.458 0.000 2.363) 6.877 15.264 ( -2.020 0.000 -1.668) 2.619 15.401 ( -2.425 0.000 -2.734) 3.654 15.524 ( -0.382 0.000 -1.763) 1.804 15.735 ( -3.694 0.000 -3.742) 5.258 15.980 ( 1.003 0.000 -4.195) 4.313 16.002 ( -5.067 0.000 1.092) 5.183 16.468 ( 6.343 0.000 3.226) 7.116 16.478 ( 4.026 0.000 6.501) 7.647 25.065 ( 2.085 0.000 0.397) 2.123 25.132 ( 2.147 0.000 -0.416) 2.187 25.145 ( 0.200 0.000 3.788) 3.793 25.240 ( -3.279 0.000 1.748) 3.716 25.374 ( 2.235 0.000 -1.091) 2.487 25.427 ( -6.028 0.000 4.396) 7.461 25.771 ( 2.430 0.000 9.789) 10.086 25.981 ( 9.858 0.000 6.009) 11.545 27.063 ( 0.354 0.000 4.078) 4.093 27.207 ( 0.682 0.000 -7.548) 7.579 27.377 ( -9.545 0.000 2.600) 9.893 27.717 ( -10.220 0.000 -15.821) 18.835 29.150 ( 1.084 0.000 7.313) 7.393 29.505 ( -1.332 0.000 1.178) 1.778 29.544 ( 4.031 0.000 -7.604) 8.606 29.683 ( 5.056 0.000 -8.212) 9.644 ======================= Grid point 136 (68/104) ======================= q-point: (-0.50 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.760 ( -15.401 0.000 12.223) 19.662 1.903 ( -19.377 0.000 9.243) 21.469 2.320 ( 10.961 0.000 1.381) 11.048 2.462 ( -4.561 0.000 -11.954) 12.794 2.528 ( 2.443 0.000 1.631) 2.938 2.734 ( 4.559 0.000 6.255) 7.740 2.813 ( -8.522 0.000 1.254) 8.614 2.907 ( 1.478 0.000 1.678) 2.236 3.029 ( -1.669 0.000 -5.427) 5.677 3.052 ( -5.584 0.000 -13.950) 15.026 3.204 ( -3.392 0.000 1.114) 3.570 3.369 ( 6.504 0.000 -10.540) 12.385 3.705 ( -5.967 0.000 -0.393) 5.980 3.706 ( -0.245 0.000 4.737) 4.744 3.873 ( 0.800 0.000 5.982) 6.035 3.990 ( 3.263 0.000 6.022) 6.849 4.002 ( -18.109 0.000 17.611) 25.260 4.443 ( 1.787 0.000 4.053) 4.429 4.585 ( 0.804 0.000 14.367) 14.390 4.671 ( -1.592 0.000 0.353) 1.630 4.756 ( 5.071 0.000 1.281) 5.231 4.844 ( -2.608 0.000 -3.875) 4.671 4.935 ( -0.272 0.000 -6.213) 6.219 4.961 ( 7.400 0.000 -11.588) 13.749 5.546 ( -0.691 0.000 6.846) 6.881 5.566 ( 5.611 0.000 2.945) 6.337 5.705 ( 8.030 0.000 -3.976) 8.961 5.896 ( 2.766 0.000 -1.311) 3.061 6.017 ( 1.633 0.000 4.811) 5.081 6.076 ( -9.092 0.000 -0.033) 9.092 6.254 ( -2.205 0.000 3.152) 3.847 6.401 ( 7.592 0.000 -1.334) 7.709 6.523 ( -3.500 0.000 6.799) 7.647 6.665 ( 5.871 0.000 -1.273) 6.007 7.051 ( -7.220 0.000 -4.809) 8.675 7.137 ( 6.178 0.000 -8.278) 10.329 7.376 ( 4.299 0.000 3.558) 5.580 7.531 ( 1.586 0.000 3.484) 3.827 7.573 ( -6.324 0.000 -6.498) 9.067 7.627 ( 3.802 0.000 1.882) 4.242 7.833 ( -5.780 0.000 -0.388) 5.793 7.920 ( -0.823 0.000 -9.290) 9.326 7.997 ( 10.637 0.000 10.204) 14.740 8.264 ( -0.019 0.000 3.860) 3.860 8.304 ( 10.127 0.000 2.374) 10.402 8.385 ( -0.796 0.000 -4.747) 4.814 8.569 ( -0.484 0.000 0.669) 0.826 8.742 ( -9.857 0.000 -10.040) 14.070 9.959 ( 0.816 0.000 6.354) 6.406 10.051 ( -3.804 0.000 1.700) 4.166 10.269 ( 0.089 0.000 4.213) 4.214 10.493 ( 2.183 0.000 -5.754) 6.154 10.619 ( 2.181 0.000 6.833) 7.173 10.760 ( 0.138 0.000 -0.593) 0.609 10.935 ( -5.470 0.000 3.851) 6.689 11.095 ( -4.559 0.000 1.255) 4.728 11.125 ( -8.423 0.000 -4.933) 9.762 11.391 ( 8.369 0.000 -12.129) 14.736 11.722 ( -8.744 0.000 -10.644) 13.775 11.790 ( 0.951 0.000 -9.622) 9.669 12.123 ( 3.483 0.000 13.237) 13.688 12.197 ( 11.351 0.000 3.495) 11.877 12.770 ( 3.016 0.000 4.216) 5.184 12.881 ( 10.687 0.000 -2.513) 10.979 13.341 ( -15.274 0.000 -3.565) 15.684 13.499 ( 4.893 0.000 -9.092) 10.325 13.689 ( -5.447 0.000 6.024) 8.122 13.781 ( -4.457 0.000 -1.879) 4.837 13.844 ( 10.980 0.000 7.992) 13.580 14.354 ( -8.555 0.000 -11.467) 14.307 14.702 ( 4.797 0.000 10.257) 11.323 14.866 ( 3.237 0.000 -0.346) 3.255 15.233 ( -0.162 0.000 -0.982) 0.995 15.294 ( -5.215 0.000 -5.262) 7.409 15.557 ( 2.587 0.000 1.645) 3.066 15.619 ( -5.672 0.000 -2.048) 6.031 15.916 ( -5.130 0.000 1.857) 5.456 16.011 ( 3.543 0.000 -3.273) 4.823 16.531 ( -1.880 0.000 4.528) 4.903 16.586 ( 4.054 0.000 2.463) 4.743 25.103 ( 2.164 0.000 0.026) 2.164 25.105 ( -2.882 0.000 0.260) 2.894 25.189 ( 1.319 0.000 4.842) 5.019 25.271 ( 1.877 0.000 2.806) 3.376 25.323 ( -7.465 0.000 2.601) 7.906 25.403 ( 3.052 0.000 -3.421) 4.584 25.850 ( -1.298 0.000 11.477) 11.550 26.227 ( 13.588 0.000 1.082) 13.631 27.120 ( 2.880 0.000 6.066) 6.715 27.160 ( -1.068 0.000 -4.634) 4.755 27.226 ( -7.045 0.000 -0.994) 7.115 27.457 ( -8.470 0.000 -11.511) 14.291 29.192 ( -1.764 0.000 8.012) 8.204 29.506 ( 0.457 0.000 1.918) 1.972 29.542 ( 0.663 0.000 -5.436) 5.476 29.697 ( 2.462 0.000 -11.931) 12.183 ======================= Grid point 137 (69/104) ======================= q-point: (-0.33 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.700 ( -11.557 0.000 19.604) 22.757 1.712 ( -3.031 0.000 27.472) 27.638 2.359 ( 3.800 0.000 -12.727) 13.282 2.484 ( 9.787 0.000 -4.644) 10.833 2.674 ( 6.569 0.000 10.948) 12.767 2.701 ( -1.183 0.000 0.117) 1.188 2.874 ( 3.105 0.000 7.380) 8.006 2.906 ( -1.529 0.000 -9.833) 9.951 2.952 ( -2.178 0.000 11.294) 11.502 2.994 ( 1.347 0.000 -4.443) 4.643 3.149 ( -1.855 0.000 -3.496) 3.958 3.445 ( 8.428 0.000 -9.560) 12.744 3.598 ( -5.494 0.000 -0.713) 5.540 3.794 ( 2.097 0.000 7.089) 7.392 3.803 ( -12.065 0.000 23.588) 26.494 3.903 ( -0.632 0.000 2.070) 2.164 4.041 ( -1.062 0.000 0.884) 1.381 4.496 ( 0.007 0.000 10.326) 10.326 4.622 ( -3.766 0.000 6.607) 7.605 4.645 ( -3.487 0.000 2.290) 4.172 4.827 ( 5.070 0.000 -5.414) 7.417 4.855 ( 4.847 0.000 0.226) 4.853 4.900 ( 2.544 0.000 -11.461) 11.740 4.995 ( 3.791 0.000 -11.382) 11.996 5.526 ( -3.629 0.000 0.889) 3.737 5.681 ( 4.827 0.000 1.919) 5.194 5.805 ( 4.320 0.000 -5.601) 7.073 5.885 ( -2.198 0.000 -3.751) 4.348 5.953 ( -4.198 0.000 4.335) 6.035 6.044 ( -2.514 0.000 6.512) 6.981 6.258 ( 1.628 0.000 -2.166) 2.710 6.482 ( -3.862 0.000 6.455) 7.523 6.502 ( 5.334 0.000 -4.756) 7.146 6.760 ( 4.133 0.000 -3.243) 5.253 6.857 ( -10.447 0.000 -1.505) 10.555 7.097 ( -6.311 0.000 -7.539) 9.832 7.406 ( -3.415 0.000 7.110) 7.888 7.420 ( -6.381 0.000 -9.278) 11.261 7.529 ( -3.623 0.000 1.965) 4.122 7.742 ( 7.155 0.000 -1.341) 7.279 7.742 ( -1.671 0.000 -1.274) 2.101 7.841 ( -4.805 0.000 -2.559) 5.444 8.219 ( -4.430 0.000 -6.339) 7.734 8.233 ( 5.913 0.000 7.973) 9.926 8.394 ( 7.203 0.000 -5.162) 8.861 8.408 ( 4.911 0.000 -1.297) 5.079 8.626 ( 3.294 0.000 -2.872) 4.370 8.667 ( 5.196 0.000 5.158) 7.322 9.979 ( -2.724 0.000 5.531) 6.166 9.983 ( -3.980 0.000 1.221) 4.163 10.279 ( -1.957 0.000 5.586) 5.919 10.437 ( -3.756 0.000 -7.379) 8.280 10.725 ( 4.822 0.000 4.483) 6.584 10.814 ( 5.276 0.000 0.549) 5.304 10.883 ( -3.337 0.000 4.338) 5.473 10.988 ( -4.001 0.000 -1.224) 4.184 11.074 ( 0.686 0.000 4.821) 4.869 11.448 ( 4.650 0.000 -11.589) 12.487 11.568 ( -3.263 0.000 -1.226) 3.485 11.809 ( 5.522 0.000 -3.183) 6.374 12.205 ( 1.659 0.000 -2.410) 2.925 12.322 ( 1.000 0.000 -1.974) 2.213 12.775 ( -3.279 0.000 -3.342) 4.682 12.990 ( 0.699 0.000 -10.662) 10.685 13.126 ( -3.757 0.000 8.086) 8.916 13.573 ( 7.864 0.000 -5.808) 9.776 13.671 ( -0.274 0.000 8.069) 8.074 13.774 ( 2.340 0.000 2.066) 3.121 14.110 ( 9.291 0.000 11.619) 14.877 14.136 ( -4.177 0.000 -12.648) 13.320 14.832 ( 4.231 0.000 2.982) 5.176 14.876 ( -0.818 0.000 -4.553) 4.626 15.192 ( -2.769 0.000 -0.207) 2.776 15.262 ( 3.224 0.000 2.359) 3.995 15.519 ( -5.025 0.000 0.742) 5.080 15.609 ( 1.637 0.000 2.196) 2.739 15.854 ( -2.864 0.000 2.626) 3.886 16.056 ( 3.303 0.000 -2.613) 4.211 16.471 ( -6.734 0.000 2.951) 7.352 16.626 ( -0.696 0.000 0.161) 0.715 25.068 ( -1.410 0.000 0.544) 1.511 25.131 ( -0.547 0.000 -0.434) 0.698 25.208 ( -4.357 0.000 3.401) 5.527 25.247 ( 1.262 0.000 3.800) 4.004 25.270 ( -2.172 0.000 -0.637) 2.264 25.470 ( 5.075 0.000 -0.122) 5.076 25.850 ( -5.462 0.000 9.330) 10.811 26.336 ( -0.749 0.000 -17.516) 17.532 27.123 ( -3.708 0.000 -0.685) 3.770 27.241 ( 5.237 0.000 8.917) 10.341 27.243 ( 13.338 0.000 9.762) 16.529 27.300 ( -2.983 0.000 -7.510) 8.080 29.180 ( -4.590 0.000 7.866) 9.107 29.513 ( -0.485 0.000 -6.158) 6.177 29.535 ( 1.036 0.000 2.123) 2.363 29.630 ( -1.591 0.000 -10.503) 10.623 ======================= Grid point 138 (70/104) ======================= q-point: (-0.17 0.00 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -1.249 0.000 26.986) 27.015 1.860 ( -3.516 0.000 29.287) 29.497 2.459 ( 13.013 0.000 -9.525) 16.127 2.646 ( 8.641 0.000 0.488) 8.654 2.740 ( 6.066 0.000 -3.742) 7.127 2.805 ( 1.539 0.000 2.771) 3.170 2.890 ( 2.418 0.000 -2.278) 3.322 2.956 ( 1.181 0.000 -7.570) 7.662 2.960 ( 2.729 0.000 6.349) 6.910 3.014 ( -2.962 0.000 24.252) 24.432 3.157 ( 4.566 0.000 -0.607) 4.606 3.481 ( -3.392 0.000 -4.772) 5.855 3.584 ( 8.364 0.000 -0.083) 8.364 3.675 ( -10.192 0.000 17.996) 20.682 3.877 ( -3.166 0.000 1.778) 3.631 3.979 ( -3.943 0.000 -1.934) 4.392 4.004 ( 6.417 0.000 14.567) 15.917 4.551 ( -4.831 0.000 -1.765) 5.144 4.570 ( -5.520 0.000 1.663) 5.765 4.582 ( 1.559 0.000 12.143) 12.243 4.871 ( 2.529 0.000 -10.263) 10.570 4.908 ( -0.087 0.000 -2.529) 2.530 4.910 ( 5.869 0.000 -8.365) 10.218 4.976 ( 2.243 0.000 -9.247) 9.515 5.431 ( -7.017 0.000 -2.538) 7.462 5.700 ( -3.883 0.000 -4.253) 5.760 5.771 ( -2.114 0.000 -3.896) 4.433 5.801 ( -3.908 0.000 -3.559) 5.286 6.012 ( 6.500 0.000 2.767) 7.064 6.040 ( -1.527 0.000 7.662) 7.813 6.248 ( 0.739 0.000 -4.073) 4.140 6.472 ( -5.728 0.000 7.725) 9.617 6.549 ( 4.256 0.000 -7.076) 8.257 6.669 ( -9.357 0.000 -8.717) 12.788 6.743 ( 2.281 0.000 -0.028) 2.281 6.987 ( -1.830 0.000 0.121) 1.834 7.259 ( -3.837 0.000 -8.761) 9.565 7.321 ( -9.029 0.000 4.461) 10.071 7.455 ( -4.032 0.000 0.133) 4.034 7.667 ( -6.271 0.000 -5.322) 8.225 7.775 ( 3.556 0.000 2.760) 4.501 7.816 ( -1.165 0.000 -5.602) 5.722 8.174 ( -10.742 0.000 -3.422) 11.274 8.198 ( 4.948 0.000 0.377) 4.962 8.562 ( 13.385 0.000 -9.949) 16.677 8.573 ( 8.916 0.000 3.306) 9.510 8.726 ( -2.678 0.000 5.388) 6.017 8.727 ( 6.828 0.000 -1.419) 6.974 9.945 ( -0.475 0.000 0.871) 0.992 9.947 ( -3.428 0.000 5.441) 6.431 10.264 ( -3.246 0.000 4.364) 5.439 10.314 ( -4.524 0.000 -3.939) 5.999 10.808 ( -1.320 0.000 8.691) 8.791 10.877 ( 2.625 0.000 -4.345) 5.076 10.887 ( 4.587 0.000 -3.153) 5.566 11.051 ( 8.612 0.000 10.024) 13.216 11.164 ( 3.306 0.000 11.189) 11.667 11.406 ( -2.028 0.000 -8.553) 8.790 11.587 ( 2.677 0.000 3.960) 4.780 11.936 ( 7.171 0.000 3.125) 7.822 12.173 ( 1.389 0.000 -13.956) 14.025 12.214 ( -8.598 0.000 -7.537) 11.434 12.634 ( -6.192 0.000 -11.564) 13.117 12.852 ( -4.272 0.000 -13.006) 13.689 13.194 ( 0.461 0.000 7.536) 7.550 13.585 ( -4.775 0.000 -4.785) 6.760 13.779 ( 4.679 0.000 13.072) 13.884 13.880 ( 10.797 0.000 0.222) 10.799 14.183 ( 12.298 0.000 -2.612) 12.572 14.268 ( 1.167 0.000 9.059) 9.134 14.786 ( -4.629 0.000 -7.773) 9.047 14.806 ( -6.507 0.000 -6.183) 8.976 15.253 ( 6.370 0.000 4.457) 7.775 15.363 ( 4.161 0.000 3.737) 5.593 15.455 ( -1.800 0.000 2.707) 3.251 15.655 ( 1.872 0.000 4.324) 4.711 15.849 ( 0.973 0.000 2.974) 3.129 16.098 ( 2.730 0.000 -1.503) 3.117 16.349 ( -7.686 0.000 2.369) 8.043 16.561 ( -5.410 0.000 -2.756) 6.072 25.056 ( -0.381 0.000 -0.163) 0.414 25.064 ( -4.172 0.000 -0.190) 4.177 25.195 ( -1.387 0.000 3.217) 3.503 25.225 ( -1.395 0.000 -0.662) 1.544 25.315 ( 3.516 0.000 3.912) 5.260 25.559 ( 4.016 0.000 1.470) 4.277 25.780 ( -6.761 0.000 6.138) 9.131 26.051 ( -15.372 0.000 -15.279) 21.674 27.075 ( -1.961 0.000 0.995) 2.199 27.239 ( 0.294 0.000 -6.201) 6.208 27.397 ( 4.575 0.000 11.667) 12.532 27.689 ( 26.238 0.000 2.036) 26.316 29.130 ( -5.495 0.000 6.895) 8.816 29.418 ( -3.577 0.000 -10.036) 10.654 29.559 ( 0.188 0.000 1.669) 1.680 29.581 ( 0.919 0.000 -2.720) 2.871 ======================= Grid point 139 (71/104) ======================= q-point: ( 0.00 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.810 ( 3.246 -9.314 28.601) 30.254 1.929 ( -9.123 3.926 23.757) 25.749 2.574 ( -1.011 -8.195 -7.519) 11.167 2.643 ( 4.772 -3.795 -10.651) 12.272 2.682 ( 0.533 -7.453 -0.458) 7.486 2.772 ( 5.269 -10.401 -1.984) 11.827 2.901 ( -6.158 2.517 -0.815) 6.702 2.958 ( 6.813 -1.045 -6.246) 9.302 3.067 ( -2.502 -7.292 1.047) 7.780 3.095 ( 5.856 5.224 -2.432) 8.216 3.277 ( -0.282 -5.374 3.485) 6.412 3.350 ( 3.931 5.140 5.037) 8.200 3.748 ( 1.067 1.658 23.566) 23.649 3.798 ( -1.202 0.664 7.867) 7.986 3.876 ( 0.108 0.244 -1.074) 1.107 3.901 ( 0.133 2.897 11.685) 12.040 4.114 ( -5.676 1.166 6.402) 8.635 4.361 ( -0.038 -4.889 -3.549) 6.042 4.548 ( -3.388 4.971 -2.993) 6.719 4.718 ( -1.685 3.544 -0.054) 3.924 4.846 ( -0.733 4.449 5.798) 7.345 4.910 ( 3.434 2.435 -7.000) 8.168 4.975 ( -0.223 8.204 -10.254) 13.134 5.154 ( 2.453 10.823 -7.265) 13.264 5.336 ( -3.158 3.240 2.310) 5.080 5.537 ( -7.412 0.923 -4.876) 8.920 5.674 ( -2.726 1.095 1.406) 3.257 5.786 ( -1.614 -0.541 0.471) 1.766 6.024 ( -2.894 -2.871 7.000) 8.100 6.143 ( 4.411 -2.308 -2.439) 5.544 6.193 ( -0.637 -4.771 3.600) 6.011 6.324 ( -1.215 -2.541 -3.184) 4.251 6.462 ( -1.931 -2.202 -3.885) 4.865 6.561 ( 4.130 -4.037 -6.533) 8.720 6.893 ( -7.885 2.934 0.643) 8.437 7.019 ( 11.121 4.183 -2.644) 12.172 7.164 ( 0.427 -1.054 4.031) 4.188 7.315 ( 1.603 7.147 -2.300) 7.678 7.504 ( -1.632 6.393 -2.273) 6.978 7.586 ( 0.834 2.591 -2.429) 3.649 7.749 ( 3.591 -2.116 1.396) 4.396 7.885 ( -13.316 2.424 -4.659) 14.314 8.033 ( 3.804 8.565 1.489) 9.490 8.277 ( 0.849 0.245 -1.743) 1.954 8.521 ( -2.421 -4.782 -0.627) 5.397 8.558 ( -3.735 -3.223 -3.614) 6.116 8.755 ( -0.670 0.141 -0.345) 0.767 8.877 ( 9.617 -2.385 -4.059) 10.708 9.906 ( -4.271 -0.106 4.849) 6.463 9.979 ( 2.026 0.609 1.538) 2.615 10.215 ( -3.919 0.308 1.993) 4.408 10.331 ( 4.634 3.931 -2.696) 6.648 10.639 ( -3.489 -9.685 4.955) 11.425 10.914 ( 4.953 -2.132 -7.133) 8.942 10.990 ( 3.797 -2.573 3.451) 5.739 11.256 ( -2.978 -2.340 -0.658) 3.844 11.300 ( 5.108 0.261 4.021) 6.506 11.373 ( 7.246 2.179 10.353) 12.824 11.683 ( -3.555 3.653 8.282) 9.725 11.915 ( -8.118 0.589 -7.145) 10.831 12.048 ( -0.308 -3.401 -5.943) 6.854 12.090 ( 8.036 -7.654 -8.817) 14.174 12.467 ( -5.106 0.190 -9.470) 10.760 12.646 ( -5.689 -3.650 -14.595) 16.084 13.242 ( 4.317 1.893 7.300) 8.690 13.482 ( -3.370 0.867 -3.915) 5.238 13.882 ( 3.481 -2.563 10.968) 11.789 14.149 ( 5.992 4.055 -0.852) 7.285 14.247 ( 0.407 -4.060 5.336) 6.718 14.339 ( -4.656 -6.522 3.733) 8.840 14.491 ( 3.785 -1.946 -0.164) 4.259 14.804 ( -7.735 8.786 -10.124) 15.476 15.327 ( 9.282 -4.670 4.727) 11.415 15.382 ( -6.697 2.628 -0.894) 7.250 15.569 ( 1.809 1.525 2.887) 3.732 15.710 ( 0.530 2.131 -3.165) 3.853 15.991 ( 7.485 1.500 5.684) 9.517 16.134 ( 1.776 0.299 -1.184) 2.155 16.262 ( -3.065 0.809 2.551) 4.069 16.415 ( -6.067 -0.413 -3.628) 7.081 25.018 ( -1.000 0.492 0.627) 1.279 25.060 ( 0.458 0.853 -1.262) 1.590 25.171 ( -2.050 -0.166 2.780) 3.458 25.236 ( 1.016 0.206 0.214) 1.058 25.413 ( 3.265 0.286 5.513) 6.414 25.573 ( -6.014 -1.258 -0.904) 6.211 25.674 ( -0.183 -2.740 4.091) 4.927 25.732 ( -6.562 -2.283 -0.128) 6.949 27.067 ( -1.170 1.108 1.610) 2.278 27.215 ( 0.760 -0.945 -5.286) 5.423 27.457 ( 0.725 -4.900 10.586) 11.688 27.865 ( 7.318 -12.778 -8.345) 16.925 29.102 ( -3.312 0.663 0.805) 3.472 29.250 ( 3.338 -6.822 -4.713) 8.938 29.704 ( 1.713 12.775 -0.421) 12.897 29.768 ( 2.231 11.591 -3.045) 12.190 ======================= Grid point 140 (72/104) ======================= q-point: ( 0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.886 ( -5.932 1.912 22.121) 22.982 2.106 ( 7.745 -7.609 22.993) 25.427 2.375 ( -13.222 -8.732 -4.743) 16.540 2.602 ( -4.203 -10.235 -8.397) 13.890 2.635 ( -8.609 1.078 -1.301) 8.773 2.757 ( 0.466 -2.279 -10.891) 11.137 2.850 ( 1.687 -5.187 -2.994) 6.222 3.045 ( 3.403 -6.888 -4.704) 9.009 3.091 ( 4.994 -1.605 0.028) 5.246 3.145 ( -0.371 0.697 -0.858) 1.166 3.198 ( -5.310 -0.711 -1.598) 5.591 3.454 ( 2.970 -0.761 -0.932) 3.205 3.695 ( -5.970 -3.359 0.129) 6.852 3.832 ( -5.509 -1.306 6.310) 8.477 3.856 ( -3.869 -8.348 7.719) 12.010 4.011 ( 3.789 1.826 5.413) 6.855 4.213 ( 6.381 7.472 22.768) 24.798 4.395 ( -4.055 3.967 3.754) 6.803 4.423 ( -1.830 7.025 -2.826) 7.790 4.663 ( -3.079 3.319 2.403) 5.125 4.838 ( -3.734 8.299 4.367) 10.094 4.914 ( 2.376 3.598 -10.519) 11.369 4.962 ( 3.918 4.540 -5.904) 8.415 5.095 ( -3.385 7.024 -9.546) 12.326 5.368 ( 2.835 4.286 9.124) 10.472 5.451 ( 0.479 4.563 -0.758) 4.650 5.648 ( -0.953 3.120 0.730) 3.343 5.795 ( 2.255 1.124 1.808) 3.101 5.960 ( -5.653 -3.612 4.734) 8.210 6.146 ( 0.370 -5.043 -3.827) 6.341 6.243 ( 0.858 -1.634 6.537) 6.793 6.315 ( 1.245 -3.409 -4.409) 5.710 6.480 ( 2.136 1.469 0.209) 2.601 6.655 ( 6.825 -6.018 -5.327) 10.544 6.747 ( -1.845 0.769 -1.040) 2.253 7.058 ( 1.009 -3.732 -4.175) 5.690 7.314 ( 5.706 6.265 -2.463) 8.825 7.421 ( 8.642 3.731 -0.266) 9.417 7.473 ( 0.851 3.625 -0.110) 3.725 7.598 ( 2.739 3.641 -2.772) 5.333 7.678 ( -3.049 2.307 1.449) 4.089 7.918 ( 8.254 -0.753 7.974) 11.501 8.103 ( 2.373 6.929 -0.055) 7.324 8.214 ( -4.197 0.712 -6.656) 7.901 8.305 ( -14.803 0.711 -2.969) 15.115 8.495 ( -3.872 0.712 0.675) 3.995 8.730 ( -1.871 -3.935 0.072) 4.358 8.989 ( 4.311 -4.758 -7.105) 9.577 9.874 ( -1.821 1.065 5.318) 5.721 10.035 ( 2.022 -0.826 1.766) 2.809 10.190 ( 0.108 1.556 3.341) 3.687 10.408 ( 5.194 3.163 -3.483) 7.008 10.596 ( -4.347 -7.213 4.688) 9.638 10.932 ( -2.088 1.701 -3.185) 4.171 11.049 ( 1.358 -3.673 3.237) 5.081 11.125 ( -2.646 -10.063 -10.618) 14.867 11.362 ( -5.147 0.962 3.371) 6.227 11.510 ( -2.313 0.757 -1.434) 2.824 11.713 ( 5.306 0.927 16.895) 17.733 11.825 ( 3.880 6.402 -2.860) 8.014 11.984 ( -0.966 -7.344 -9.271) 11.867 12.158 ( 0.220 -0.700 -12.352) 12.374 12.416 ( 3.019 -7.017 3.045) 8.224 12.509 ( 1.218 -1.255 -6.509) 6.740 13.370 ( 5.009 3.699 3.754) 7.271 13.449 ( 2.453 0.556 -2.231) 3.362 13.892 ( -8.309 0.324 4.021) 9.237 14.095 ( -8.127 -2.498 -3.840) 9.329 14.191 ( -9.860 -3.019 -1.330) 10.397 14.304 ( 1.732 -3.357 9.115) 9.866 14.595 ( 1.054 -0.336 -5.290) 5.404 14.752 ( 8.795 10.565 1.015) 13.784 15.228 ( -7.974 -4.724 -0.380) 9.276 15.474 ( 4.127 2.848 0.435) 5.033 15.578 ( -2.024 -2.162 0.995) 3.125 15.722 ( 2.435 1.144 -2.946) 3.989 16.055 ( -3.777 -0.439 -2.786) 4.714 16.100 ( -1.539 1.698 -2.144) 3.138 16.335 ( 6.176 0.949 6.650) 9.125 16.375 ( 3.612 1.502 0.586) 3.955 25.030 ( 1.474 0.573 0.995) 1.869 25.082 ( 2.676 0.572 -0.778) 2.845 25.150 ( -1.551 0.527 2.405) 2.910 25.281 ( 3.099 -0.538 0.313) 3.161 25.399 ( -8.719 0.022 0.839) 8.760 25.475 ( -2.127 0.272 5.588) 5.985 25.677 ( 0.212 -1.177 3.138) 3.358 25.779 ( 5.555 -3.025 5.320) 8.265 27.063 ( -0.624 1.352 2.841) 3.208 27.196 ( 0.337 -2.468 -5.319) 5.873 27.472 ( -4.511 -2.837 6.975) 8.778 27.844 ( -2.109 -11.147 -12.805) 17.108 29.047 ( -2.397 -2.456 2.985) 4.549 29.294 ( 2.793 -8.654 -3.850) 9.875 29.733 ( 1.883 12.984 -2.380) 13.334 29.809 ( 4.720 11.947 -5.095) 13.819 ======================= Grid point 141 (73/104) ======================= q-point: ( 0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.898 ( -8.919 -2.623 11.357) 14.677 2.147 ( -5.456 -4.585 6.125) 9.397 2.323 ( -6.970 -4.801 7.718) 11.454 2.417 ( -4.249 3.915 7.489) 9.459 2.483 ( -2.579 -8.701 -6.501) 11.164 2.716 ( -0.210 1.367 -7.433) 7.561 2.847 ( 1.670 -3.200 -4.315) 5.626 2.997 ( -7.070 -2.909 -1.955) 7.891 3.069 ( 0.164 -3.476 -9.132) 9.773 3.150 ( 2.668 -5.365 -1.651) 6.215 3.190 ( 1.092 1.036 -2.237) 2.696 3.371 ( -7.548 -4.615 -7.182) 11.395 3.612 ( -2.700 -0.146 -3.120) 4.129 3.751 ( -4.659 -4.393 -0.542) 6.426 3.853 ( -3.025 1.067 12.538) 12.942 4.122 ( 4.270 8.126 1.455) 9.294 4.260 ( -13.796 5.317 14.034) 20.385 4.374 ( 5.619 3.562 3.336) 7.443 4.467 ( 0.630 2.828 12.515) 12.846 4.689 ( 0.051 2.164 4.198) 4.723 4.797 ( -1.623 6.606 3.228) 7.530 4.914 ( 4.195 3.340 -8.848) 10.346 4.956 ( -2.092 1.757 -9.067) 9.470 5.019 ( 1.494 6.050 -0.104) 6.233 5.479 ( 3.354 5.023 4.781) 7.703 5.513 ( 3.511 0.748 5.672) 6.713 5.656 ( 2.182 3.684 -0.970) 4.390 5.867 ( 3.113 -0.498 3.735) 4.888 5.923 ( -1.132 -0.544 3.143) 3.385 6.163 ( 3.198 -5.148 -1.191) 6.177 6.236 ( -4.890 -0.625 -1.116) 5.054 6.296 ( -0.209 -2.900 -0.681) 2.986 6.542 ( 2.263 2.523 5.103) 6.126 6.624 ( -0.101 2.280 1.280) 2.616 6.921 ( 14.256 -11.001 -8.961) 20.114 7.063 ( 1.567 -3.272 -3.892) 5.321 7.322 ( -0.280 6.259 -4.208) 7.547 7.473 ( 3.897 -0.828 0.828) 4.069 7.502 ( 0.949 -1.964 0.743) 2.304 7.718 ( 3.091 2.128 -4.015) 5.495 7.781 ( 7.501 2.938 7.222) 10.820 7.954 ( -7.015 -0.119 -3.883) 8.019 8.038 ( -7.147 0.850 1.497) 7.351 8.170 ( 3.407 3.571 2.478) 5.523 8.193 ( 4.057 1.286 -0.342) 4.269 8.431 ( -1.215 1.130 -1.051) 1.964 8.687 ( -3.439 1.021 1.073) 3.744 8.929 ( -4.823 -3.627 -9.582) 11.324 9.907 ( 1.191 1.349 5.933) 6.200 10.058 ( -0.077 -1.711 0.992) 1.980 10.238 ( 1.123 2.034 3.848) 4.495 10.461 ( 2.362 0.887 -2.985) 3.908 10.576 ( 0.321 -2.714 5.263) 5.930 10.816 ( -6.424 0.999 -1.652) 6.708 11.004 ( -6.795 -4.052 1.740) 8.101 11.103 ( 1.376 -7.855 -3.593) 8.747 11.270 ( -1.250 -0.520 -6.838) 6.970 11.368 ( -7.309 1.439 -5.785) 9.432 11.856 ( -1.372 -2.329 -10.121) 10.476 11.946 ( 4.659 0.772 14.566) 15.313 11.981 ( -0.531 2.131 -5.266) 5.706 12.030 ( 5.875 4.616 -2.748) 7.961 12.537 ( 6.032 -9.042 7.187) 13.030 12.637 ( 11.547 -3.462 -0.446) 12.063 13.425 ( 2.884 -3.225 -5.304) 6.845 13.517 ( -1.909 -0.125 2.341) 3.024 13.739 ( -3.722 4.744 2.719) 6.614 13.898 ( -11.146 0.905 -1.490) 11.281 13.973 ( -9.787 1.657 -6.080) 11.640 14.368 ( -0.531 -5.761 3.932) 6.995 14.598 ( 1.937 -2.828 -2.036) 3.987 14.893 ( 2.400 10.290 2.064) 10.766 15.132 ( -0.487 -7.399 0.074) 7.416 15.520 ( -3.850 2.481 -2.464) 5.200 15.526 ( 2.077 2.389 1.298) 3.421 15.708 ( -2.230 -0.425 -3.108) 3.849 15.971 ( -0.935 -0.249 -4.624) 4.724 16.050 ( -2.993 3.143 -1.558) 4.611 16.474 ( 6.361 0.735 3.479) 7.288 16.490 ( 3.974 0.978 5.251) 6.658 25.070 ( 2.083 0.580 0.712) 2.277 25.128 ( 1.530 -0.296 1.373) 2.077 25.165 ( 1.812 1.651 1.647) 2.953 25.261 ( -4.607 1.938 1.609) 5.251 25.353 ( 2.784 -1.776 -0.649) 3.366 25.427 ( -5.835 0.117 3.932) 7.037 25.734 ( 2.032 -3.528 6.718) 7.855 25.932 ( 7.207 -4.828 6.070) 10.587 27.084 ( 0.832 1.597 3.798) 4.204 27.161 ( -0.970 -2.669 -3.439) 4.460 27.403 ( -4.923 1.406 0.184) 5.123 27.667 ( -8.238 -5.151 -12.267) 15.649 29.061 ( 0.649 -5.910 4.906) 7.709 29.300 ( 0.581 -10.534 -2.997) 10.967 29.737 ( 0.332 12.080 -2.564) 12.354 29.859 ( 4.551 11.484 -8.067) 14.753 ======================= Grid point 142 (74/104) ======================= q-point: (-0.50 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.754 ( -10.042 0.109 16.194) 19.056 1.976 ( -21.705 4.816 8.280) 23.725 2.278 ( 7.864 -5.414 1.824) 9.720 2.459 ( 1.402 -1.338 -5.804) 6.119 2.491 ( 2.797 -2.566 3.840) 5.399 2.718 ( 2.095 -0.181 1.697) 2.702 2.837 ( -3.630 4.404 3.506) 6.699 2.936 ( 2.497 -3.836 -7.272) 8.592 2.967 ( -1.899 -4.354 -10.855) 11.849 3.099 ( -3.392 8.243 -8.043) 12.006 3.186 ( -2.043 -1.047 2.194) 3.175 3.278 ( 3.031 -7.783 -4.534) 9.503 3.548 ( -4.183 -6.441 -0.142) 7.681 3.676 ( 0.510 -5.146 -5.906) 7.850 3.893 ( -2.491 3.717 15.670) 16.296 4.059 ( -16.951 5.634 17.464) 24.982 4.188 ( 1.748 12.174 0.595) 12.314 4.501 ( 5.244 4.807 1.825) 7.344 4.572 ( 1.481 -0.574 12.279) 12.382 4.669 ( -2.180 0.084 0.136) 2.186 4.818 ( 0.068 3.500 3.898) 5.239 4.861 ( -0.715 3.564 -2.918) 4.661 4.957 ( 5.719 0.715 -12.491) 13.756 5.053 ( 1.850 8.099 -2.304) 8.621 5.559 ( 1.964 1.879 2.826) 3.921 5.582 ( 2.338 -0.998 2.483) 3.554 5.719 ( 3.744 1.222 1.632) 4.263 5.919 ( -0.535 -5.341 3.173) 6.236 5.942 ( 0.203 -0.923 4.161) 4.267 6.110 ( -4.525 6.319 -5.234) 9.370 6.205 ( -0.311 -4.188 2.112) 4.701 6.318 ( 4.549 -7.122 -3.328) 9.083 6.574 ( -2.677 3.141 6.945) 8.079 6.712 ( 7.350 3.800 1.253) 8.369 6.989 ( -5.772 -5.836 -4.181) 9.212 7.065 ( 5.071 -7.309 -9.715) 13.173 7.360 ( 3.976 0.534 4.555) 6.069 7.505 ( -1.519 -2.550 2.436) 3.840 7.578 ( -2.531 -0.618 -4.251) 4.986 7.605 ( 1.293 -1.449 0.843) 2.117 7.849 ( -3.554 -0.002 -5.662) 6.685 7.868 ( -4.158 -1.616 -7.874) 9.050 8.007 ( 8.264 0.285 9.887) 12.889 8.239 ( 1.524 -0.043 3.425) 3.749 8.315 ( 6.008 0.331 2.004) 6.342 8.477 ( 4.577 6.240 -5.822) 9.684 8.629 ( -1.504 4.687 1.454) 5.133 8.750 ( -7.303 0.736 -6.898) 10.072 9.962 ( 0.631 0.623 5.449) 5.521 10.044 ( -2.079 -0.393 0.790) 2.258 10.250 ( -2.222 -1.104 5.117) 5.687 10.460 ( -0.051 -2.048 -4.133) 4.613 10.665 ( 4.453 0.115 5.028) 6.717 10.737 ( -0.765 0.455 -0.962) 1.311 10.901 ( -5.959 -2.884 3.900) 7.684 11.064 ( -2.745 -2.142 1.496) 3.789 11.162 ( -6.167 2.141 -6.078) 8.920 11.330 ( 7.362 -4.249 -11.051) 13.942 11.740 ( -5.317 1.493 -8.505) 10.141 11.844 ( -0.572 4.290 -8.984) 9.972 12.095 ( 1.743 -1.060 12.419) 12.586 12.259 ( 10.647 3.286 2.128) 11.344 12.680 ( 4.494 -7.630 6.221) 10.822 12.835 ( 9.838 -4.641 -1.510) 10.982 13.295 ( -13.537 -4.418 -2.654) 14.485 13.469 ( 3.715 -2.764 -7.843) 9.108 13.720 ( -6.508 3.373 3.469) 8.110 13.809 ( -4.147 2.026 -4.073) 6.155 13.886 ( 9.709 4.290 7.949) 13.261 14.300 ( -5.587 -3.635 -7.171) 9.790 14.639 ( 1.436 -5.332 6.581) 8.590 14.865 ( -2.663 -3.141 -4.006) 5.745 15.210 ( 5.394 4.239 4.403) 8.152 15.412 ( -5.724 4.023 -3.973) 8.045 15.579 ( 2.341 1.819 2.136) 3.654 15.644 ( -2.139 4.091 -2.415) 5.210 15.934 ( -3.156 1.250 -0.642) 3.454 16.003 ( 1.058 -0.362 -3.783) 3.945 16.536 ( -1.972 0.540 4.333) 4.791 16.592 ( 4.074 0.536 1.983) 4.563 25.108 ( 1.366 0.800 0.610) 1.697 25.130 ( -1.725 1.682 -0.140) 2.414 25.191 ( 0.613 0.428 4.306) 4.370 25.268 ( 1.560 -0.360 2.392) 2.879 25.326 ( -6.941 0.419 2.394) 7.354 25.395 ( 3.261 -0.548 -2.692) 4.264 25.802 ( -0.527 -4.579 9.385) 10.456 26.087 ( 6.530 -11.898 1.161) 13.622 27.114 ( 0.537 -1.394 1.028) 1.813 27.180 ( 3.864 4.055 6.017) 8.220 27.302 ( -4.343 4.649 -6.067) 8.791 27.448 ( -7.792 -1.063 -8.204) 11.365 29.098 ( -0.500 -6.432 5.296) 8.347 29.297 ( 1.381 -11.737 -3.147) 12.230 29.720 ( -0.747 11.670 -1.504) 11.790 29.867 ( 1.980 10.755 -9.376) 14.405 ======================= Grid point 143 (75/104) ======================= q-point: (-0.33 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.658 ( -14.991 -3.776 19.075) 24.553 1.832 ( -1.982 10.919 25.093) 27.437 2.343 ( 3.785 -2.308 -9.546) 10.525 2.554 ( 13.121 2.899 -4.348) 14.124 2.621 ( 4.774 -4.941 6.626) 9.545 2.680 ( -3.643 -1.748 1.453) 4.294 2.849 ( 0.834 -2.299 -9.008) 9.334 2.862 ( 0.581 -2.131 4.882) 5.359 2.975 ( 2.493 1.391 -6.231) 6.854 3.093 ( 4.181 2.249 -4.480) 6.528 3.125 ( -5.334 7.905 9.054) 13.150 3.366 ( 7.041 -6.831 -4.682) 10.870 3.443 ( -5.216 -9.681 1.045) 11.046 3.736 ( 7.265 -5.259 -1.081) 9.034 3.869 ( -14.054 5.917 20.079) 25.213 3.950 ( -2.902 6.386 13.936) 15.601 4.171 ( -2.788 8.176 -3.569) 9.347 4.563 ( -0.834 0.594 1.571) 1.875 4.620 ( -4.125 0.359 4.378) 6.026 4.629 ( 0.049 3.871 6.564) 7.621 4.832 ( 3.225 0.710 -4.712) 5.754 4.925 ( 3.845 4.355 -0.794) 5.863 4.977 ( 5.444 2.691 -10.168) 11.844 5.061 ( 2.159 9.031 -4.892) 10.496 5.535 ( -3.938 0.181 -0.708) 4.005 5.665 ( 3.979 -3.731 -0.006) 5.455 5.766 ( -0.539 -1.099 2.267) 2.576 5.896 ( -4.365 -4.499 4.839) 7.919 5.953 ( -0.168 -3.885 2.987) 4.903 6.036 ( -0.932 8.476 -2.920) 9.013 6.218 ( 1.604 -2.519 -3.618) 4.691 6.379 ( 2.303 -6.795 0.517) 7.193 6.555 ( -1.255 0.706 2.292) 2.707 6.784 ( -4.767 -1.977 -2.892) 5.916 6.856 ( -0.884 2.984 -4.110) 5.156 7.036 ( -2.730 -4.814 -4.697) 7.259 7.335 ( -8.584 -2.087 -0.786) 8.869 7.462 ( -3.574 0.165 -1.081) 3.737 7.533 ( 1.252 0.253 5.886) 6.023 7.669 ( -4.849 -3.618 -6.800) 9.102 7.731 ( 5.742 -1.770 -0.128) 6.010 7.886 ( 4.147 0.775 -0.804) 4.295 8.202 ( 3.927 -1.665 6.110) 7.451 8.257 ( -2.371 3.397 -1.072) 4.279 8.366 ( 4.318 -2.950 -5.184) 7.363 8.458 ( 2.426 4.646 -9.211) 10.598 8.620 ( 1.265 2.398 2.229) 3.510 8.744 ( 4.126 4.194 2.792) 6.512 9.972 ( -2.645 0.362 3.925) 4.747 10.008 ( -2.216 1.974 1.072) 3.156 10.244 ( -1.662 -2.567 5.657) 6.431 10.405 ( -2.899 -1.878 -4.535) 5.701 10.721 ( -0.299 -8.044 4.139) 9.051 10.797 ( 4.850 5.180 -0.871) 7.149 10.850 ( -1.481 -2.255 2.463) 3.653 11.048 ( -1.682 4.535 -2.163) 5.299 11.077 ( 1.448 0.289 5.432) 5.629 11.401 ( 6.346 -4.291 -10.948) 13.362 11.617 ( -3.567 3.773 0.077) 5.193 11.849 ( 4.591 3.177 -4.999) 7.493 12.144 ( -1.413 -3.792 1.892) 4.467 12.360 ( 0.704 1.878 -5.040) 5.425 12.732 ( -1.360 -4.080 -1.039) 4.424 12.928 ( 1.953 -6.293 -10.162) 12.111 13.104 ( -5.604 -1.861 6.781) 8.991 13.508 ( 4.530 -4.393 -1.677) 6.529 13.728 ( 4.442 3.732 3.253) 6.652 13.775 ( 0.575 0.544 0.776) 1.109 14.100 ( 5.297 0.224 7.549) 9.225 14.156 ( -0.339 1.448 -7.112) 7.266 14.745 ( 4.069 -8.387 8.691) 12.745 14.779 ( -2.554 -6.117 -4.425) 7.970 15.270 ( -6.670 4.367 -4.543) 9.176 15.344 ( 5.791 6.758 4.739) 10.083 15.583 ( -1.860 5.219 -1.681) 5.790 15.646 ( 2.003 4.283 1.407) 4.934 15.866 ( -3.147 1.087 0.667) 3.396 16.035 ( 3.434 -1.804 -1.850) 4.297 16.475 ( -6.712 0.371 2.736) 7.258 16.627 ( -1.000 -0.035 -0.123) 1.008 25.086 ( -1.741 1.616 0.370) 2.404 25.132 ( -1.524 0.011 -0.378) 1.570 25.217 ( -2.654 0.395 3.679) 4.553 25.245 ( 0.330 0.369 2.960) 3.001 25.274 ( -1.538 0.413 -0.346) 1.629 25.462 ( 4.739 -0.746 0.029) 4.797 25.808 ( -4.556 -3.937 7.827) 9.875 26.123 ( -1.848 -16.881 -7.647) 18.624 27.159 ( -2.824 1.321 -2.085) 3.751 27.186 ( 3.088 0.122 3.776) 4.879 27.307 ( -2.749 0.713 -4.671) 5.467 27.381 ( 10.994 6.679 7.140) 14.712 29.102 ( -1.580 -5.224 3.834) 6.670 29.306 ( 1.354 -10.953 -4.016) 11.744 29.699 ( -0.971 11.275 -0.047) 11.316 29.824 ( -0.654 11.473 -8.096) 14.057 ======================= Grid point 144 (76/104) ======================= q-point: (-0.17 0.14 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( -3.455 -7.558 27.272) 28.510 1.941 ( -5.657 6.600 25.432) 26.876 2.434 ( 12.190 -2.256 -7.700) 14.594 2.631 ( 0.698 -4.516 -0.755) 4.632 2.696 ( 3.478 -5.723 -3.718) 7.660 2.745 ( 2.862 -7.464 -5.547) 9.730 2.875 ( 4.851 -0.022 -3.700) 6.101 2.929 ( 5.884 0.699 6.115) 8.515 2.976 ( 1.344 2.076 -4.475) 5.113 3.097 ( -0.462 2.838 8.440) 8.917 3.218 ( 4.409 10.727 8.911) 14.626 3.288 ( -4.260 -14.627 -3.452) 15.621 3.565 ( 8.294 0.926 7.525) 11.237 3.763 ( -9.121 7.051 18.195) 21.540 3.847 ( 4.242 -3.821 -1.988) 6.045 3.979 ( -4.956 3.876 8.199) 10.335 4.097 ( -1.481 4.462 5.011) 6.871 4.477 ( -5.895 -6.174 -6.503) 10.731 4.584 ( -1.533 2.498 1.083) 3.125 4.692 ( 1.099 7.421 8.117) 11.053 4.842 ( 0.624 -0.114 -3.520) 3.577 4.919 ( 1.685 -1.053 -10.349) 10.538 5.020 ( 1.668 10.137 -6.342) 12.073 5.110 ( 5.206 9.879 -2.485) 11.440 5.432 ( -6.025 0.261 -2.313) 6.459 5.673 ( -3.059 -4.118 -2.025) 5.515 5.735 ( -3.071 -1.777 -0.813) 3.640 5.829 ( -4.792 -1.154 2.810) 5.674 5.990 ( 1.258 -0.982 4.709) 4.972 6.056 ( 3.701 3.706 0.481) 5.259 6.201 ( 0.564 -3.569 -4.185) 5.529 6.383 ( -4.067 -6.660 3.305) 8.475 6.550 ( 0.787 -3.700 -4.446) 5.838 6.649 ( -10.046 -1.789 -8.512) 13.288 6.796 ( 5.840 5.791 -0.309) 8.230 7.004 ( -1.334 2.217 -1.449) 2.965 7.210 ( -4.429 -0.222 1.121) 4.574 7.352 ( -5.128 0.277 -1.580) 5.373 7.556 ( -1.520 5.848 -1.428) 6.209 7.597 ( -1.451 -2.900 0.078) 3.243 7.762 ( -1.229 1.275 -4.769) 5.087 7.957 ( 2.235 7.858 3.045) 8.718 8.140 ( -8.624 -2.891 -3.712) 9.824 8.234 ( 2.421 3.086 -1.884) 4.352 8.481 ( 6.452 -5.834 -2.543) 9.063 8.511 ( 8.738 -4.875 -3.769) 10.693 8.721 ( 4.896 0.702 1.603) 5.200 8.796 ( 1.066 3.395 0.831) 3.654 9.945 ( -3.026 0.315 4.594) 5.510 9.969 ( -1.789 2.252 0.499) 2.919 10.252 ( -0.740 -0.796 3.072) 3.259 10.325 ( -2.703 1.482 -2.906) 4.236 10.687 ( -5.605 -8.993 5.524) 11.949 10.862 ( 5.858 -0.813 -6.502) 8.789 10.893 ( 4.102 -2.363 1.131) 4.867 11.097 ( 5.403 4.619 7.015) 9.987 11.190 ( 4.711 2.237 11.324) 12.467 11.393 ( -0.632 -1.815 -9.620) 9.810 11.637 ( 1.981 4.012 6.869) 8.198 11.932 ( 6.645 -1.410 -1.271) 6.911 12.074 ( -4.213 -6.434 -6.385) 9.996 12.239 ( -7.185 0.880 -11.797) 13.841 12.630 ( -5.438 -0.647 -9.318) 10.808 12.818 ( -3.292 -4.187 -15.229) 16.134 13.141 ( 1.292 -3.023 9.688) 10.231 13.569 ( -1.419 -2.137 -0.306) 2.583 13.751 ( 1.434 -0.469 5.579) 5.779 13.942 ( 12.791 4.175 4.235) 14.106 14.165 ( 6.299 -1.430 -0.117) 6.460 14.259 ( 3.598 -0.604 6.198) 7.192 14.626 ( -8.390 -8.644 -4.804) 12.969 14.931 ( 3.764 3.718 1.674) 5.549 15.150 ( 0.229 -4.602 0.006) 4.608 15.462 ( 2.619 4.916 2.297) 6.026 15.526 ( -2.148 6.410 -0.937) 6.825 15.696 ( 2.347 3.558 1.113) 4.405 15.858 ( 1.978 1.050 3.190) 3.897 16.089 ( 3.107 -0.705 -0.452) 3.218 16.353 ( -7.373 0.436 1.833) 7.610 16.555 ( -5.872 -0.795 -2.522) 6.439 25.058 ( -2.885 0.252 0.534) 2.945 25.073 ( -1.611 0.914 -0.947) 2.080 25.191 ( -2.163 -0.112 2.315) 3.171 25.243 ( -1.277 1.229 -0.140) 1.778 25.315 ( 3.877 0.244 4.040) 5.605 25.548 ( 3.929 -1.123 1.656) 4.409 25.742 ( -6.297 -3.609 4.329) 8.451 25.942 ( -11.214 -9.554 -7.441) 16.505 27.090 ( -2.043 1.385 -0.678) 2.559 27.243 ( -0.665 0.369 -5.170) 5.226 27.334 ( 5.512 -4.449 9.640) 11.963 27.672 ( 15.137 -2.592 2.042) 15.492 29.106 ( 0.513 -1.928 1.574) 2.541 29.278 ( -1.375 -8.029 -5.078) 9.600 29.689 ( -0.180 11.289 0.711) 11.313 29.772 ( -0.271 12.223 -4.562) 13.050 ======================= Grid point 145 (77/104) ======================= q-point: ( 0.00 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.627 ( 1.993 -6.603 25.584) 26.498 2.046 ( -7.275 6.489 17.350) 19.901 2.369 ( -0.546 -11.374 -7.496) 13.633 2.374 ( -3.207 -16.569 -2.138) 17.011 2.498 ( 2.235 -12.712 -6.683) 14.534 2.696 ( 6.231 2.139 -10.222) 12.161 2.805 ( -8.615 -9.981 0.262) 13.187 2.936 ( 3.810 -2.778 -1.370) 4.910 3.036 ( 3.286 4.946 2.991) 6.649 3.216 ( 6.625 -0.582 4.128) 7.828 3.252 ( 3.458 8.489 -5.948) 10.927 3.471 ( -3.800 6.080 -1.088) 7.252 3.671 ( -5.687 -7.218 -1.500) 9.311 3.752 ( -3.442 -2.937 -0.127) 4.527 3.888 ( -6.564 -0.267 -0.368) 6.580 4.058 ( -6.094 -1.446 6.718) 9.185 4.147 ( 3.469 11.218 19.968) 23.165 4.358 ( 6.474 6.329 9.780) 13.327 4.626 ( -1.576 3.058 1.583) 3.787 4.839 ( 0.609 8.550 -3.710) 9.340 4.951 ( 2.268 4.079 5.544) 7.247 4.975 ( 4.523 3.453 -3.153) 6.505 5.123 ( -2.763 5.956 -8.846) 11.017 5.304 ( -0.446 1.324 -1.260) 1.882 5.390 ( -0.870 1.542 0.825) 1.953 5.500 ( -0.808 -3.217 -0.563) 3.364 5.671 ( 1.927 -3.494 2.058) 4.490 5.781 ( -5.586 1.778 1.274) 5.999 5.985 ( -7.237 -1.305 6.473) 9.797 6.052 ( -0.707 -4.215 1.513) 4.534 6.150 ( 2.967 0.792 -0.565) 3.123 6.307 ( 1.904 -0.553 -7.249) 7.515 6.407 ( 2.470 -2.215 0.101) 3.319 6.503 ( -0.968 -2.177 -3.302) 4.071 6.955 ( -6.037 2.224 -1.981) 6.731 7.014 ( -0.858 -2.215 -4.879) 5.426 7.259 ( 10.544 8.738 6.699) 15.244 7.467 ( 2.715 6.576 1.850) 7.351 7.606 ( 2.778 4.337 -1.274) 5.306 7.654 ( -0.641 3.052 -3.151) 4.434 7.751 ( -2.012 2.879 2.618) 4.380 7.945 ( -6.812 3.998 -6.102) 9.981 8.197 ( 4.193 3.823 1.284) 5.818 8.281 ( 0.969 1.355 -0.912) 1.899 8.416 ( 0.189 -4.143 0.637) 4.196 8.474 ( -0.085 -4.316 0.109) 4.319 8.708 ( -2.837 -4.432 -2.490) 5.822 8.842 ( 3.596 -1.610 -7.478) 8.452 9.922 ( -3.296 2.204 4.225) 5.795 10.025 ( 0.644 4.258 0.413) 4.326 10.236 ( -2.260 1.779 1.481) 3.235 10.380 ( 1.846 -3.812 -2.846) 5.103 10.496 ( 0.583 -0.086 2.512) 2.580 10.847 ( 2.819 -6.084 -4.175) 7.899 10.870 ( 5.017 -5.943 -2.885) 8.295 11.155 ( -8.922 -8.326 -9.944) 15.742 11.344 ( 5.186 3.787 10.266) 12.109 11.431 ( 4.852 4.209 10.649) 12.436 11.778 ( -4.779 2.874 8.061) 9.801 11.822 ( 5.856 -6.702 -2.490) 9.242 11.904 ( -1.212 -6.994 -9.331) 11.724 12.094 ( -3.826 5.622 -7.239) 9.932 12.432 ( -6.283 -6.467 -7.574) 11.776 12.537 ( -4.003 -6.080 -10.231) 12.556 13.330 ( 7.980 7.251 6.762) 12.727 13.531 ( -3.350 4.830 -0.302) 5.886 13.862 ( 6.168 -0.467 8.462) 10.481 14.135 ( -5.331 -6.043 2.751) 8.515 14.166 ( 4.603 -5.216 1.103) 7.043 14.218 ( -7.762 -3.495 -5.238) 9.995 14.521 ( 12.333 5.530 9.715) 16.645 14.959 ( -9.572 5.469 -9.548) 14.584 15.208 ( 12.770 -5.250 10.015) 17.057 15.425 ( -7.928 0.341 -3.503) 8.674 15.614 ( -2.549 2.718 -0.364) 3.744 15.728 ( 0.844 -0.351 -4.726) 4.814 16.028 ( 5.594 2.154 4.009) 7.212 16.138 ( 1.914 -0.301 -1.878) 2.698 16.286 ( -1.800 1.774 2.262) 3.392 16.402 ( -3.829 -0.929 -2.100) 4.465 25.038 ( -0.700 1.513 0.785) 1.843 25.079 ( 0.192 0.942 -1.105) 1.465 25.175 ( -1.472 0.664 2.618) 3.076 25.237 ( 0.036 -0.135 -0.259) 0.294 25.421 ( 2.256 0.523 5.017) 5.526 25.546 ( -5.593 -1.375 -0.326) 5.769 25.601 ( 2.942 -3.967 4.017) 6.366 25.675 ( -3.828 -3.358 1.310) 5.258 27.095 ( -0.552 1.555 0.425) 1.703 27.190 ( -1.730 -1.558 -3.150) 3.917 27.361 ( 1.781 -3.561 6.749) 7.836 27.624 ( 1.708 -10.704 -4.820) 11.863 29.099 ( -2.565 -0.655 -0.711) 2.741 29.146 ( 2.104 -3.624 -1.976) 4.633 29.953 ( 3.595 10.585 -2.908) 11.551 29.981 ( 1.837 9.083 -3.549) 9.923 ======================= Grid point 146 (78/104) ======================= q-point: ( 0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.803 ( -0.384 -9.099 22.889) 24.634 2.090 ( -0.111 7.140 17.317) 18.731 2.180 ( -12.224 -11.874 -1.343) 17.094 2.313 ( -1.000 -13.815 -7.808) 15.900 2.530 ( 5.139 -14.462 -7.857) 17.242 2.699 ( -1.111 2.899 -7.352) 7.981 2.732 ( 0.112 -9.038 1.029) 9.097 2.963 ( -1.513 -1.178 1.403) 2.376 3.096 ( 2.492 1.596 -2.816) 4.085 3.225 ( -8.725 5.369 -1.182) 10.313 3.272 ( 1.407 6.056 -9.092) 11.015 3.358 ( -2.989 -4.932 0.404) 5.781 3.634 ( 2.754 -7.046 2.626) 8.008 3.676 ( -3.178 -4.221 -0.506) 5.308 3.813 ( -3.509 -0.596 12.344) 12.847 4.033 ( 2.180 -1.399 -1.091) 2.811 4.393 ( 4.634 9.105 22.309) 24.537 4.493 ( 1.346 7.843 6.761) 10.443 4.600 ( -2.296 8.088 2.666) 8.820 4.792 ( -3.109 9.758 -2.500) 10.542 4.966 ( -0.885 2.095 -8.959) 9.243 4.995 ( -2.701 6.664 1.496) 7.344 5.056 ( 1.845 4.081 -4.200) 6.140 5.218 ( -5.674 4.825 -3.605) 8.275 5.398 ( 0.761 -3.503 3.378) 4.926 5.531 ( 4.208 2.115 -1.902) 5.079 5.694 ( -2.988 -2.817 1.936) 4.540 5.752 ( 2.150 -1.409 3.889) 4.662 5.944 ( -1.230 1.097 9.125) 9.273 6.021 ( -1.850 -4.859 -1.760) 5.489 6.227 ( 2.580 1.380 3.674) 4.697 6.286 ( 2.766 -0.360 -7.149) 7.674 6.453 ( 0.032 -3.361 -1.947) 3.885 6.557 ( 9.959 -3.552 -3.245) 11.060 6.821 ( -7.600 5.018 1.423) 9.218 6.999 ( 1.716 -2.290 -2.100) 3.549 7.442 ( 0.810 7.079 -5.653) 9.095 7.512 ( 7.023 4.755 2.734) 8.911 7.566 ( -3.122 5.342 -2.583) 6.705 7.675 ( 0.856 3.911 -3.938) 5.616 7.732 ( 1.026 3.669 4.581) 5.958 7.945 ( 7.608 2.790 2.411) 8.454 8.195 ( -6.632 -1.971 0.187) 6.921 8.217 ( -4.097 4.111 -4.483) 7.333 8.331 ( -8.191 0.399 -4.186) 9.207 8.489 ( 0.948 -2.937 2.396) 3.907 8.651 ( -0.630 -2.362 -1.495) 2.866 8.869 ( 2.804 -6.453 -6.197) 9.376 9.914 ( -0.430 3.301 4.979) 5.989 10.048 ( 0.796 3.101 0.239) 3.210 10.250 ( 2.268 4.169 5.289) 7.106 10.403 ( 1.994 -7.313 -1.990) 7.836 10.510 ( -0.724 1.792 1.517) 2.457 10.863 ( 4.314 -9.717 -12.646) 16.522 10.936 ( -5.582 -6.526 -1.779) 8.770 10.983 ( 1.325 -3.804 2.750) 4.877 11.394 ( -5.822 2.610 2.797) 6.966 11.529 ( -1.239 0.872 -0.978) 1.803 11.736 ( 1.985 1.443 6.282) 6.744 11.809 ( -0.354 -4.938 -0.552) 4.981 11.933 ( 4.999 -0.406 -3.695) 6.229 12.121 ( 4.934 -0.364 -3.423) 6.016 12.295 ( -4.187 -6.741 1.225) 8.029 12.456 ( 1.102 -3.865 -4.029) 5.691 13.429 ( -1.083 3.314 -1.596) 3.834 13.530 ( 4.213 7.492 2.266) 8.889 13.918 ( -9.786 -0.123 1.565) 9.911 14.004 ( -1.395 -4.127 3.771) 5.762 14.115 ( -4.064 -3.038 -4.885) 7.043 14.255 ( 3.429 -4.201 5.572) 7.775 14.627 ( -6.275 4.067 -5.102) 9.052 14.918 ( 10.891 4.188 1.794) 11.806 15.169 ( -11.742 0.141 -3.230) 12.179 15.471 ( 6.130 -2.705 5.146) 8.448 15.557 ( -3.204 0.684 0.681) 3.346 15.726 ( 1.324 -1.705 -3.466) 4.083 16.057 ( -3.434 0.784 -2.929) 4.581 16.125 ( 0.460 0.469 -2.012) 2.117 16.364 ( 6.029 1.976 3.990) 7.495 16.408 ( 4.705 1.474 0.307) 4.940 25.049 ( 1.230 1.393 0.958) 2.090 25.094 ( 1.731 0.526 -0.369) 1.847 25.169 ( -0.417 1.363 2.015) 2.468 25.263 ( 2.346 -1.193 0.858) 2.768 25.411 ( -5.859 1.336 1.245) 6.137 25.484 ( -1.932 0.908 3.913) 4.458 25.625 ( -0.558 -3.939 0.303) 3.990 25.707 ( 4.096 -4.005 5.200) 7.737 27.097 ( -0.324 1.766 1.932) 2.637 27.148 ( -0.873 -1.765 -1.794) 2.664 27.410 ( -0.388 -3.086 5.040) 5.922 27.604 ( -0.011 -11.564 -7.324) 13.688 29.024 ( -4.221 0.041 0.650) 4.271 29.159 ( -0.145 -5.095 -1.421) 5.292 29.974 ( 1.480 10.278 -4.279) 11.231 30.021 ( 4.379 8.607 -5.288) 11.010 ======================= Grid point 147 (79/104) ======================= q-point: ( 0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( -9.682 -3.106 14.078) 17.366 1.950 ( -6.868 -12.471 13.656) 19.728 2.249 ( 1.776 -4.974 -8.135) 9.699 2.297 ( 4.892 -2.403 9.095) 10.603 2.528 ( -8.420 3.039 -0.268) 8.956 2.639 ( 6.892 -9.079 -5.096) 12.486 2.764 ( 0.245 -3.760 2.253) 4.390 2.938 ( 2.286 -4.094 -7.332) 8.703 3.024 ( -5.870 1.902 -1.648) 6.387 3.122 ( -3.474 0.510 -3.798) 5.173 3.178 ( -1.220 -3.723 -5.194) 6.506 3.363 ( 0.880 7.644 -0.051) 7.695 3.608 ( -5.652 -4.550 0.952) 7.318 3.695 ( 1.549 -0.308 -3.710) 4.032 3.883 ( 0.449 2.657 13.522) 13.788 4.142 ( 9.064 -2.174 5.122) 10.636 4.409 ( -12.811 8.824 9.752) 18.360 4.546 ( -0.705 6.698 11.992) 13.754 4.597 ( 1.869 12.312 -2.756) 12.754 4.731 ( -2.950 2.635 1.572) 4.257 4.914 ( -1.039 4.543 -4.305) 6.345 4.949 ( -0.365 1.327 -1.316) 1.904 5.000 ( -3.567 3.090 -6.668) 8.169 5.176 ( 1.418 8.004 1.758) 8.316 5.437 ( 0.675 -8.158 2.566) 8.578 5.581 ( 2.630 -0.242 -4.171) 4.937 5.681 ( -0.752 -0.965 3.979) 4.162 5.801 ( 0.837 -2.857 5.243) 6.029 5.969 ( -1.931 0.964 3.273) 3.921 6.035 ( 2.798 -3.169 3.707) 5.623 6.249 ( -1.919 0.469 0.529) 2.045 6.291 ( 2.285 3.619 -7.137) 8.322 6.505 ( 6.860 -5.919 0.748) 9.091 6.713 ( 4.695 -0.833 -2.265) 5.279 6.738 ( 1.001 0.283 1.453) 1.787 7.017 ( 0.250 -2.061 -1.723) 2.697 7.439 ( 3.322 2.842 -3.410) 5.545 7.460 ( -4.392 4.790 -4.882) 8.128 7.516 ( -2.552 1.393 0.176) 2.913 7.722 ( -1.593 -1.564 -5.974) 6.377 7.836 ( 6.187 2.310 8.117) 10.465 7.980 ( -4.668 2.396 -8.473) 9.966 8.091 ( -7.944 2.583 -0.297) 8.359 8.175 ( 2.873 -1.782 1.071) 3.546 8.203 ( 1.893 1.209 1.265) 2.578 8.485 ( 2.640 2.191 -2.681) 4.354 8.698 ( 1.739 0.166 4.296) 4.637 8.837 ( -2.313 -5.147 -5.049) 7.571 9.955 ( 1.182 3.748 5.021) 6.376 10.057 ( 0.467 2.661 -0.253) 2.713 10.293 ( -2.170 2.571 3.510) 4.862 10.445 ( 2.699 -5.470 -6.155) 8.665 10.512 ( 0.351 -0.639 8.854) 8.884 10.802 ( -1.297 -5.139 -4.722) 7.099 10.906 ( 0.032 -3.352 -3.798) 5.066 10.998 ( -2.357 -0.958 5.267) 5.849 11.268 ( -3.455 0.069 -7.916) 8.637 11.396 ( -7.093 0.665 -5.677) 9.110 11.778 ( 1.996 -3.787 -7.651) 8.767 11.941 ( 6.485 -0.911 14.200) 15.638 12.049 ( -2.604 4.078 -6.169) 7.840 12.070 ( 6.812 -1.718 1.151) 7.119 12.366 ( 5.299 -7.085 8.885) 12.539 12.547 ( 8.279 -5.595 2.165) 10.224 13.378 ( -2.348 -0.769 -4.901) 5.488 13.499 ( -8.847 -1.238 -1.429) 9.047 13.844 ( 3.481 4.196 -2.007) 5.809 13.956 ( -6.267 5.483 4.976) 9.701 13.976 ( -6.680 -0.666 -6.537) 9.370 14.317 ( -1.721 -0.973 4.908) 5.291 14.518 ( -0.241 -3.306 -5.274) 6.229 14.900 ( -9.150 -9.260 -5.236) 14.032 15.182 ( 9.168 10.817 4.686) 14.934 15.503 ( -3.686 -1.951 3.444) 5.409 15.556 ( 1.312 0.854 3.115) 3.486 15.737 ( 2.190 0.730 -3.776) 4.426 15.982 ( -1.463 1.640 -4.615) 5.112 16.092 ( -2.197 0.676 -4.170) 4.761 16.498 ( 6.526 1.527 1.899) 6.966 16.512 ( 3.563 1.111 3.847) 5.360 25.087 ( 2.035 1.035 1.013) 2.498 25.124 ( 1.170 -0.133 1.414) 1.840 25.198 ( 2.422 1.503 1.199) 3.092 25.287 ( -3.267 -1.019 1.169) 3.616 25.343 ( 0.748 2.523 0.309) 2.650 25.444 ( -4.522 1.977 2.545) 5.553 25.642 ( 1.095 -5.475 2.799) 6.246 25.805 ( 2.814 -7.521 4.377) 9.146 27.093 ( -0.302 0.236 0.406) 0.559 27.166 ( 2.179 2.296 4.015) 5.112 27.411 ( -0.917 -0.623 -0.678) 1.299 27.525 ( -4.266 -8.259 -6.001) 11.065 28.982 ( -1.097 -1.742 2.106) 2.945 29.131 ( -1.567 -6.517 -1.462) 6.861 29.965 ( 0.403 9.985 -4.260) 10.864 30.051 ( 3.013 7.395 -7.360) 10.859 ======================= Grid point 148 (80/104) ======================= q-point: (-0.50 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.727 ( -12.829 -3.238 18.075) 22.401 2.006 ( 0.501 -7.943 13.741) 15.879 2.172 ( -5.705 3.026 0.477) 6.475 2.385 ( 3.774 -3.750 1.056) 5.424 2.488 ( 5.193 -0.045 0.592) 5.227 2.751 ( -1.876 1.359 -5.962) 6.396 2.791 ( 6.552 -5.757 0.250) 8.725 2.850 ( -3.945 -1.709 -5.694) 7.134 2.965 ( -0.010 -0.058 -6.312) 6.313 3.081 ( 3.920 -7.637 -1.465) 8.708 3.245 ( 6.714 2.994 3.483) 8.135 3.350 ( -1.752 15.918 -3.690) 16.434 3.464 ( -8.214 -2.895 -1.957) 8.926 3.648 ( -0.478 3.526 -8.798) 9.491 3.984 ( 0.282 5.044 16.859) 17.600 4.210 ( -15.762 9.066 16.426) 24.504 4.326 ( 5.545 0.783 0.724) 5.646 4.540 ( -3.303 0.423 3.770) 5.030 4.666 ( 2.484 7.308 -2.677) 8.170 4.678 ( -1.564 1.834 6.454) 6.889 4.889 ( -1.447 2.662 -5.092) 5.925 4.921 ( 1.081 2.859 6.927) 7.571 4.975 ( 3.067 1.373 -7.579) 8.290 5.211 ( 1.575 6.704 -1.823) 7.124 5.444 ( -1.171 -11.374 2.006) 11.608 5.580 ( 0.970 -2.893 -5.890) 6.633 5.698 ( -0.882 -2.484 6.250) 6.783 5.849 ( 0.897 -2.438 5.403) 5.995 5.945 ( -2.782 0.307 2.889) 4.022 6.092 ( 0.192 -3.685 3.875) 5.351 6.218 ( 1.659 0.007 -4.554) 4.847 6.295 ( 3.168 8.317 -7.781) 11.821 6.591 ( -3.094 -2.496 4.502) 6.005 6.735 ( 3.186 -4.321 -0.890) 5.442 6.851 ( 7.410 -4.104 -0.449) 8.483 6.951 ( -4.643 -2.845 -4.177) 6.863 7.425 ( 1.801 5.326 2.377) 6.104 7.454 ( -3.557 -1.812 1.528) 4.274 7.539 ( 4.295 -1.591 0.641) 4.625 7.585 ( -4.953 -1.662 -3.728) 6.418 7.828 ( -9.104 -2.746 -4.945) 10.718 7.852 ( -5.859 0.254 -10.533) 12.055 8.034 ( 9.091 2.889 3.469) 10.151 8.249 ( 5.663 -2.144 0.283) 6.062 8.342 ( 3.807 4.565 2.524) 6.458 8.554 ( 4.217 0.817 -4.408) 6.155 8.715 ( -0.415 3.568 2.567) 4.415 8.768 ( -2.457 0.962 -0.546) 2.695 9.999 ( 0.388 3.456 3.801) 5.152 10.067 ( 1.171 3.493 -1.175) 3.866 10.245 ( -4.720 0.340 4.529) 6.550 10.421 ( 0.068 -2.774 -4.936) 5.663 10.563 ( -2.916 -6.414 7.290) 10.139 10.805 ( 2.878 -2.422 -3.143) 4.902 10.847 ( -2.938 2.661 3.316) 5.168 11.019 ( 1.449 -0.985 4.143) 4.498 11.185 ( -0.939 0.098 -9.964) 10.009 11.290 ( 0.548 -0.055 -6.875) 6.897 11.764 ( -0.795 0.725 -5.286) 5.394 11.912 ( -2.183 1.450 -8.280) 8.685 12.091 ( 0.141 0.473 11.507) 11.517 12.267 ( 9.157 -2.571 3.886) 10.274 12.529 ( 6.405 -6.248 6.752) 11.209 12.711 ( 7.440 -7.360 -0.073) 10.466 13.217 ( -11.335 -2.113 -1.082) 11.581 13.397 ( 0.852 -4.494 -6.527) 7.970 13.798 ( -4.797 3.872 -1.945) 6.464 13.846 ( -2.458 1.694 -5.312) 6.094 14.006 ( 5.430 7.467 7.149) 11.677 14.265 ( -3.346 0.510 -3.202) 4.659 14.517 ( -0.443 -6.374 4.165) 7.627 14.740 ( -5.122 -8.461 -5.267) 11.206 15.343 ( 5.518 6.628 4.891) 9.915 15.436 ( -5.265 -0.044 2.252) 5.726 15.621 ( 3.584 2.988 2.541) 5.313 15.751 ( 2.099 4.218 -4.343) 6.408 15.953 ( 0.192 1.149 -2.690) 2.932 16.006 ( -3.265 0.344 -5.356) 6.282 16.550 ( -1.926 0.813 3.420) 4.008 16.601 ( 3.303 0.146 1.023) 3.461 25.126 ( 1.357 0.776 1.044) 1.880 25.150 ( -0.014 0.138 1.483) 1.489 25.217 ( -2.206 1.809 1.279) 3.126 25.257 ( 1.065 -0.654 1.479) 1.937 25.345 ( -3.883 1.651 1.963) 4.653 25.401 ( 1.639 1.855 -1.196) 2.749 25.686 ( 0.548 -6.680 5.901) 8.930 25.843 ( -0.616 -11.479 1.229) 11.561 27.112 ( 1.438 1.291 2.668) 3.294 27.262 ( 4.169 3.649 6.187) 8.305 27.349 ( -3.042 -0.924 -9.156) 9.692 27.419 ( -3.586 -1.161 -0.219) 3.775 28.999 ( 0.720 -3.244 2.590) 4.213 29.104 ( 0.319 -7.395 -2.149) 7.707 29.941 ( -0.516 9.744 -3.143) 10.251 30.044 ( 1.380 6.649 -8.047) 10.530 ======================= Grid point 149 (81/104) ======================= q-point: (-0.33 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.572 ( -14.812 -3.375 19.246) 24.519 2.102 ( -2.468 14.822 16.837) 22.567 2.162 ( 3.764 -16.112 5.323) 17.381 2.491 ( 7.886 -6.318 -7.179) 12.395 2.587 ( -5.034 -1.817 -13.325) 14.360 2.621 ( 6.041 0.253 2.233) 6.445 2.814 ( 2.115 -2.066 -10.449) 10.859 2.846 ( 1.716 1.124 7.654) 7.924 2.974 ( 1.687 -1.776 -2.300) 3.360 3.126 ( -3.389 -9.488 -1.866) 10.246 3.253 ( 1.095 11.218 -8.554) 14.149 3.359 ( 0.188 5.365 4.916) 7.279 3.474 ( 10.295 14.207 5.606) 18.419 3.652 ( 5.492 -1.605 -4.397) 7.216 4.023 ( -11.424 9.084 22.170) 26.543 4.088 ( -5.478 6.768 14.161) 16.624 4.296 ( -5.145 4.045 -6.410) 9.161 4.485 ( -4.373 -6.166 -2.782) 8.055 4.637 ( -2.133 1.118 6.269) 6.716 4.769 ( 3.371 6.867 4.080) 8.670 4.861 ( 1.152 2.343 -5.135) 5.761 4.951 ( 0.320 -0.232 -9.617) 9.625 5.043 ( 5.467 1.077 9.195) 10.751 5.225 ( 3.086 6.001 -5.502) 8.707 5.427 ( -1.984 -12.049 2.806) 12.529 5.558 ( 0.423 -3.704 -4.931) 6.182 5.713 ( -1.688 -2.689 4.616) 5.602 5.872 ( -1.744 -0.499 2.130) 2.798 5.942 ( 0.953 1.492 6.815) 7.041 6.094 ( -0.691 -1.895 1.821) 2.717 6.252 ( 3.415 -2.371 -5.440) 6.847 6.279 ( -1.999 5.716 -5.982) 8.512 6.499 ( -6.192 -4.524 1.036) 7.738 6.711 ( -2.630 -6.123 -2.843) 7.245 6.884 ( -0.084 0.947 -3.634) 3.757 7.008 ( 7.419 1.630 0.839) 7.642 7.341 ( -6.808 1.842 1.805) 7.281 7.416 ( -7.479 -3.868 -0.048) 8.420 7.567 ( 2.961 3.574 6.653) 8.112 7.628 ( -2.056 -1.171 -7.454) 7.821 7.657 ( 3.717 -5.045 2.367) 6.699 7.866 ( 8.763 -1.876 -0.552) 8.978 8.175 ( 3.269 -0.517 -0.576) 3.359 8.288 ( -0.016 -2.506 -8.951) 9.295 8.375 ( 0.768 5.126 2.724) 5.855 8.532 ( -0.729 2.027 -8.220) 8.498 8.699 ( -1.179 4.598 1.499) 4.978 8.807 ( 3.028 2.097 2.730) 4.584 10.000 ( -2.244 2.729 2.697) 4.445 10.077 ( 0.151 5.113 -1.596) 5.358 10.211 ( -1.212 -0.535 3.988) 4.203 10.396 ( -0.789 0.767 -1.236) 1.655 10.528 ( -3.171 -9.847 3.506) 10.923 10.783 ( -1.728 -4.802 2.753) 5.799 10.912 ( 4.262 5.321 -3.242) 7.549 11.092 ( 3.418 2.121 3.454) 5.302 11.132 ( 1.081 2.997 -0.860) 3.300 11.313 ( 5.650 -3.693 -9.152) 11.372 11.669 ( -4.905 0.803 -0.801) 5.035 11.887 ( 2.013 -0.594 -6.714) 7.034 12.098 ( -4.576 -0.152 4.586) 6.480 12.373 ( 1.085 -0.688 -3.155) 3.407 12.628 ( 1.016 -5.826 0.928) 5.986 12.766 ( 0.940 -8.990 -7.873) 11.987 13.080 ( -3.490 0.636 5.167) 6.267 13.416 ( 4.172 -5.316 -0.591) 6.783 13.783 ( 2.912 2.606 1.989) 4.385 13.825 ( 2.242 3.660 -2.468) 4.951 14.142 ( 4.148 3.960 6.703) 8.822 14.192 ( -0.878 2.548 -4.538) 5.278 14.567 ( 0.164 -9.140 8.297) 12.345 14.642 ( -0.837 -7.827 -2.096) 8.146 15.342 ( -6.161 3.318 -0.296) 7.004 15.451 ( 3.252 2.976 5.154) 6.782 15.678 ( 2.080 4.745 -2.445) 5.729 15.765 ( 2.314 5.656 -4.879) 7.820 15.892 ( -3.317 1.709 -1.651) 4.081 16.003 ( 3.545 -1.104 -0.507) 3.747 16.486 ( -6.583 0.870 2.315) 7.033 16.614 ( -2.190 -1.494 -0.295) 2.668 25.121 ( -2.369 1.342 0.491) 2.767 25.133 ( -1.908 0.374 -0.684) 2.061 25.212 ( -0.980 -0.344 3.648) 3.792 25.259 ( -0.574 0.041 0.797) 0.984 25.307 ( -0.839 3.320 1.207) 3.631 25.449 ( 3.389 -0.295 0.472) 3.435 25.710 ( -2.382 -5.576 5.312) 8.062 25.806 ( -3.056 -13.547 -0.272) 13.890 27.164 ( 0.643 0.513 3.274) 3.375 27.220 ( -2.179 1.418 -4.855) 5.507 27.322 ( -2.658 1.075 -0.492) 2.909 27.456 ( 6.916 0.694 3.136) 7.626 29.024 ( 1.385 -2.490 0.649) 2.922 29.125 ( 2.747 -7.029 -1.844) 7.769 29.916 ( -0.417 9.712 -1.744) 9.876 30.013 ( 0.349 7.195 -6.763) 9.881 ======================= Grid point 150 (82/104) ======================= q-point: (-0.17 0.29 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.503 ( -5.940 -3.163 23.921) 24.850 2.099 ( -7.745 6.403 15.488) 18.462 2.300 ( 6.667 -13.111 3.746) 15.178 2.436 ( -2.499 -6.981 -8.487) 11.269 2.553 ( 1.546 -9.938 -10.315) 14.407 2.658 ( 3.271 1.354 -8.866) 9.547 2.857 ( 5.231 -1.729 -4.281) 6.978 2.946 ( 2.757 1.518 7.989) 8.587 2.987 ( -8.071 -11.256 0.283) 13.853 3.049 ( 7.523 0.436 0.344) 7.543 3.237 ( 2.475 10.767 -7.325) 13.256 3.449 ( 4.178 9.008 4.216) 10.788 3.680 ( 6.192 8.539 1.433) 10.645 3.751 ( 4.240 -4.806 2.079) 6.738 3.965 ( -7.813 13.135 24.320) 28.723 4.035 ( -7.144 0.808 1.451) 7.334 4.205 ( -2.927 7.048 10.594) 13.057 4.322 ( -7.968 -7.975 -11.464) 16.079 4.638 ( -1.272 1.855 3.252) 3.954 4.827 ( 1.218 5.690 0.497) 5.840 4.879 ( 2.521 2.796 1.320) 3.990 4.924 ( 2.804 1.937 -4.723) 5.824 5.163 ( 3.278 2.980 -2.029) 4.873 5.262 ( 3.397 2.430 -0.375) 4.193 5.409 ( -1.433 -3.852 0.898) 4.206 5.535 ( -1.189 -5.814 -1.531) 6.128 5.680 ( -2.684 -1.893 0.083) 3.285 5.846 ( -3.097 2.500 3.134) 5.066 6.007 ( 0.325 0.643 7.110) 7.147 6.101 ( -1.211 -1.584 -1.594) 2.552 6.167 ( -5.371 1.252 -0.062) 5.515 6.248 ( 2.104 -4.649 -3.415) 6.140 6.441 ( -0.252 -4.639 -3.491) 5.812 6.604 ( -7.011 -3.005 -5.037) 9.141 6.950 ( 8.827 8.158 -1.060) 12.066 7.047 ( -1.718 1.362 -3.937) 4.507 7.215 ( -8.004 -0.048 2.316) 8.332 7.368 ( 3.202 2.316 3.475) 5.263 7.574 ( 0.724 0.010 -1.985) 2.113 7.662 ( 2.035 5.153 1.066) 5.642 7.761 ( 2.077 -2.813 4.311) 5.551 8.050 ( 7.524 0.892 5.555) 9.395 8.105 ( -4.686 -0.512 -8.222) 9.477 8.273 ( 1.560 -0.306 -3.585) 3.922 8.390 ( 2.490 -0.928 -0.669) 2.741 8.468 ( -0.865 0.960 -6.658) 6.782 8.732 ( 2.148 0.506 0.752) 2.331 8.835 ( 0.214 0.113 -1.658) 1.676 9.965 ( -3.572 2.114 3.629) 5.514 10.044 ( -2.242 5.043 -0.794) 5.576 10.236 ( 1.727 -0.686 0.266) 1.877 10.386 ( 0.110 3.320 -1.421) 3.613 10.493 ( -2.797 -8.488 3.449) 9.579 10.792 ( 0.927 -5.859 2.793) 6.556 10.893 ( 0.181 2.406 -10.874) 11.139 11.184 ( 6.202 3.780 4.560) 8.576 11.252 ( 4.680 3.581 10.040) 11.641 11.324 ( 0.517 -4.486 -8.318) 9.465 11.666 ( 4.191 -3.630 4.425) 7.094 11.848 ( -3.193 -5.570 -2.497) 6.889 12.014 ( -4.217 1.809 -3.352) 5.682 12.270 ( -6.789 2.577 -10.279) 12.585 12.574 ( -4.498 -6.376 -5.699) 9.663 12.678 ( -3.304 -8.786 -11.961) 15.204 13.151 ( 5.513 4.486 8.586) 11.147 13.527 ( 3.795 -1.724 6.093) 7.382 13.771 ( -1.059 2.122 -0.093) 2.373 13.991 ( 12.089 0.367 2.459) 12.342 14.166 ( 0.367 0.895 -1.376) 1.682 14.264 ( 3.914 3.120 8.768) 10.096 14.454 ( -8.421 -8.567 -3.332) 12.466 14.859 ( 15.215 -9.184 11.245) 21.031 15.190 ( -9.260 6.834 -4.673) 12.421 15.510 ( -0.472 -0.162 3.289) 3.326 15.662 ( -0.958 6.193 -5.474) 8.321 15.755 ( 0.018 1.656 -5.514) 5.757 15.902 ( 4.015 3.558 3.570) 6.444 16.077 ( 4.076 -0.641 0.508) 4.157 16.367 ( -6.928 1.062 1.407) 7.149 16.524 ( -6.633 -2.390 -1.498) 7.208 25.069 ( -3.024 0.928 0.458) 3.196 25.096 ( -1.142 1.198 -1.053) 1.962 25.194 ( -2.260 0.398 2.289) 3.241 25.253 ( -1.107 -0.290 0.115) 1.150 25.340 ( 2.955 2.390 3.503) 5.169 25.519 ( 3.351 -1.645 2.318) 4.395 25.652 ( -5.360 -4.898 0.953) 7.323 25.746 ( -4.389 -8.874 1.939) 10.089 27.120 ( -1.826 1.428 -2.334) 3.290 27.238 ( -1.162 -2.025 -0.320) 2.357 27.286 ( 1.512 1.193 3.040) 3.599 27.583 ( 4.773 -5.840 0.300) 7.549 29.071 ( 3.773 -1.343 -1.082) 4.148 29.150 ( 0.675 -4.890 -1.835) 5.267 29.915 ( 1.458 10.128 -1.277) 10.312 29.986 ( 0.479 8.545 -4.523) 9.680 ======================= Grid point 151 (83/104) ======================= q-point: ( 0.00 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.625 ( 0.118 7.283 16.054) 17.629 1.897 ( 0.136 -18.217 6.130) 19.221 2.236 ( -1.273 -0.468 -10.218) 10.308 2.298 ( -0.012 -7.002 -12.717) 14.517 2.326 ( -7.790 9.515 8.453) 14.922 2.561 ( -6.428 -12.353 5.658) 15.031 2.788 ( 2.521 4.973 -4.959) 7.462 2.880 ( 3.383 -3.655 -2.906) 5.766 3.119 ( 3.468 3.591 4.055) 6.431 3.189 ( 4.130 -2.940 4.834) 7.005 3.401 ( 0.882 6.409 -5.055) 8.210 3.519 ( -5.410 -4.767 -5.972) 9.363 3.623 ( -1.080 5.589 -8.207) 9.987 3.708 ( -4.764 -1.835 -12.008) 13.048 3.869 ( -8.177 -0.206 5.063) 9.620 3.937 ( -5.957 -6.479 1.434) 8.917 4.396 ( 2.466 9.876 19.878) 22.333 4.497 ( 2.688 1.724 16.550) 16.856 4.730 ( 1.799 10.491 4.364) 11.504 4.941 ( 1.577 -6.115 2.579) 6.822 5.001 ( 3.873 5.475 2.272) 7.081 5.036 ( 1.557 2.406 3.082) 4.209 5.171 ( -0.166 -0.505 -0.138) 0.549 5.223 ( 0.609 -5.992 3.185) 6.814 5.413 ( 0.959 2.812 -4.902) 5.732 5.470 ( 2.752 -1.652 -6.822) 7.539 5.637 ( -2.087 1.832 -2.294) 3.602 5.735 ( -4.937 -5.837 -4.618) 8.932 5.988 ( -4.619 1.983 6.213) 7.992 6.025 ( -3.349 -0.845 7.094) 7.890 6.194 ( 3.673 3.194 -2.277) 5.374 6.266 ( 5.629 -3.593 -3.120) 7.371 6.404 ( -0.214 2.106 0.126) 2.120 6.458 ( -2.728 -2.662 -1.781) 4.207 6.974 ( -2.680 0.789 -2.439) 3.708 6.994 ( -3.218 -0.725 -2.757) 4.299 7.433 ( 7.090 7.679 7.411) 12.812 7.525 ( 3.667 -1.034 5.698) 6.854 7.666 ( 5.791 2.665 2.618) 6.892 7.701 ( 1.777 -0.096 1.421) 2.277 7.864 ( 0.813 8.155 -4.790) 9.493 7.993 ( -1.699 -2.028 -9.307) 9.676 8.177 ( 2.234 -0.129 4.827) 5.320 8.245 ( 2.373 -5.008 4.203) 6.956 8.411 ( -4.088 1.348 -6.043) 7.419 8.448 ( -2.233 -0.208 -2.298) 3.210 8.664 ( -2.650 2.569 -3.503) 5.088 8.772 ( 1.281 -5.620 -4.442) 7.277 10.004 ( -1.688 5.906 2.788) 6.746 10.100 ( 0.466 -0.169 1.751) 1.820 10.259 ( -1.350 -2.345 -0.701) 2.795 10.270 ( 1.852 0.195 0.687) 1.985 10.570 ( 1.400 4.479 -2.247) 5.202 10.690 ( 2.367 -7.582 -1.896) 8.166 10.831 ( -2.037 2.125 -10.994) 11.381 10.961 ( -8.001 -9.726 -10.195) 16.203 11.441 ( 6.820 5.810 8.006) 12.015 11.520 ( 5.424 1.904 7.590) 9.521 11.656 ( 5.063 -3.498 3.505) 7.082 11.729 ( -0.168 -6.248 6.214) 8.813 11.981 ( -8.785 9.670 -4.507) 13.820 12.193 ( -9.387 -5.951 -5.544) 12.421 12.257 ( -0.494 1.406 -8.037) 8.173 12.406 ( -1.823 -7.896 -8.679) 11.874 13.511 ( 7.714 10.085 7.518) 14.756 13.639 ( 2.272 1.586 7.236) 7.748 13.830 ( 2.742 0.620 0.418) 2.842 13.976 ( -4.149 -10.076 0.887) 10.933 14.103 ( -1.602 1.084 -1.051) 2.202 14.156 ( -3.333 -3.384 -4.346) 6.438 14.691 ( 11.055 10.551 9.654) 18.075 14.901 ( 5.186 -9.512 3.568) 11.407 15.244 ( -0.947 6.988 1.035) 7.127 15.375 ( -5.904 -5.180 -2.227) 8.164 15.667 ( -3.992 2.426 -3.632) 5.918 15.707 ( -1.854 -1.616 -4.904) 5.486 16.072 ( 3.544 2.290 1.765) 4.574 16.115 ( 1.867 -1.875 -0.878) 2.788 16.331 ( -0.564 2.485 1.201) 2.817 16.375 ( -1.371 -1.829 -0.519) 2.344 25.071 ( -0.416 1.553 0.386) 1.654 25.089 ( -0.162 -0.122 -0.413) 0.460 25.197 ( -1.012 1.434 2.064) 2.710 25.225 ( -0.522 -1.158 0.791) 1.496 25.443 ( 1.036 1.958 3.687) 4.301 25.498 ( -0.495 -3.376 2.311) 4.121 25.565 ( -0.382 0.722 1.626) 1.819 25.607 ( -1.034 -3.161 1.282) 3.564 27.123 ( -0.531 1.333 0.147) 1.443 27.154 ( -1.973 -1.869 -0.369) 2.743 27.350 ( 0.250 2.562 1.034) 2.774 27.449 ( -0.383 -7.029 -2.793) 7.573 29.089 ( -1.051 -0.084 -0.215) 1.076 29.100 ( 0.644 -1.279 -0.441) 1.498 30.097 ( 3.405 3.872 -3.521) 6.244 30.105 ( 2.301 3.052 -3.819) 5.403 ======================= Grid point 152 (84/104) ======================= q-point: ( 0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( -2.206 1.825 17.075) 17.313 1.884 ( -7.099 -14.456 8.249) 18.095 2.182 ( 2.633 -0.140 -11.854) 12.144 2.278 ( 2.598 -5.384 -6.806) 9.058 2.290 ( 1.708 7.481 8.755) 11.642 2.522 ( -1.628 -11.559 6.842) 13.530 2.784 ( -0.771 5.469 -4.395) 7.058 2.899 ( -0.375 -5.306 -0.694) 5.364 3.148 ( -1.947 2.962 -0.827) 3.640 3.215 ( -3.853 -4.319 -0.270) 5.794 3.345 ( -7.882 5.807 -5.092) 11.035 3.428 ( 2.658 0.771 0.458) 2.806 3.524 ( -2.827 0.502 -7.034) 7.598 3.606 ( 1.228 -4.264 -1.090) 4.569 3.841 ( 0.988 3.822 9.812) 10.577 3.950 ( 3.696 -6.057 2.011) 7.375 4.546 ( 0.949 6.606 15.604) 16.971 4.620 ( 0.744 0.587 13.454) 13.488 4.775 ( 0.144 11.569 2.812) 11.907 4.945 ( -0.269 -1.663 -1.136) 2.031 5.001 ( -4.844 4.816 -6.241) 9.253 5.077 ( -1.750 0.720 0.857) 2.077 5.129 ( -2.182 3.485 -1.050) 4.244 5.212 ( -0.952 -4.935 5.531) 7.473 5.374 ( -1.271 3.548 -4.478) 5.853 5.480 ( 1.659 -5.874 -6.980) 9.272 5.620 ( -0.123 0.379 0.384) 0.553 5.706 ( 2.845 -5.250 -2.584) 6.506 5.959 ( -1.127 1.850 7.131) 7.453 5.995 ( -3.056 -0.904 7.017) 7.706 6.282 ( 5.961 2.488 -4.606) 7.934 6.299 ( 1.210 1.085 -4.905) 5.167 6.409 ( -0.844 0.108 -1.170) 1.446 6.470 ( 5.753 -4.830 2.195) 7.826 6.913 ( -3.256 3.731 0.860) 5.027 6.964 ( 0.226 -1.668 0.090) 1.686 7.560 ( -0.717 3.867 -0.547) 3.971 7.583 ( 3.683 1.585 4.278) 5.864 7.668 ( -4.612 4.904 -2.742) 7.269 7.731 ( -1.801 -0.044 -1.741) 2.505 7.840 ( 1.832 7.316 -5.756) 9.487 7.963 ( 4.787 -3.065 -6.206) 8.416 8.205 ( -1.044 4.976 6.055) 7.906 8.262 ( -6.497 1.046 -5.086) 8.317 8.296 ( -8.287 -2.892 -6.954) 11.199 8.365 ( 4.255 -8.463 7.498) 12.081 8.666 ( 1.329 3.478 -0.504) 3.757 8.757 ( 0.305 -5.064 -4.585) 6.838 10.020 ( 1.124 7.477 3.400) 8.290 10.143 ( 2.003 2.327 0.228) 3.079 10.237 ( 0.484 -3.799 0.276) 3.839 10.312 ( 0.985 -2.079 1.390) 2.688 10.555 ( -1.304 3.705 0.265) 3.937 10.682 ( -0.982 -7.527 -4.245) 8.697 10.839 ( 4.331 -2.376 -1.973) 5.320 10.876 ( 5.169 -5.372 -3.961) 8.442 11.479 ( -7.033 5.268 -2.308) 9.085 11.542 ( -4.792 -0.379 -4.741) 6.752 11.737 ( 1.518 -0.497 0.321) 1.629 11.768 ( 3.181 -2.225 5.665) 6.868 11.919 ( 1.914 4.374 7.732) 9.087 12.098 ( -1.816 -10.940 7.274) 13.263 12.212 ( 2.004 6.740 -7.145) 10.024 12.355 ( 1.638 -6.581 -5.473) 8.715 13.533 ( -6.114 6.963 -0.106) 9.267 13.647 ( -6.648 -0.737 2.107) 7.013 13.869 ( 3.301 2.674 -2.064) 4.723 13.986 ( 3.517 -3.760 0.978) 5.240 14.079 ( -1.425 1.097 -0.420) 1.847 14.148 ( 3.158 -5.251 3.318) 6.968 14.740 ( -9.164 6.785 -4.151) 12.134 14.876 ( -4.880 -6.216 -2.455) 8.275 15.267 ( 2.550 7.485 1.400) 8.030 15.396 ( 5.891 -5.041 4.943) 9.195 15.589 ( -2.657 2.597 0.147) 3.719 15.660 ( -0.443 -4.175 -1.475) 4.450 16.083 ( -1.878 1.639 -2.361) 3.433 16.114 ( -0.142 -1.330 -1.889) 2.315 16.404 ( 6.263 1.765 1.371) 6.650 16.423 ( 5.654 -0.038 0.309) 5.663 25.079 ( 0.875 1.395 0.562) 1.741 25.097 ( 0.977 -0.341 0.113) 1.041 25.200 ( 0.161 1.727 1.826) 2.518 25.234 ( 0.700 -1.676 1.403) 2.295 25.453 ( -2.000 2.832 1.728) 3.874 25.507 ( 0.665 -0.571 2.527) 2.675 25.555 ( -1.990 -0.446 0.470) 2.092 25.620 ( 1.291 -4.593 2.356) 5.321 27.123 ( -0.785 0.979 0.540) 1.366 27.136 ( 0.894 -0.091 1.949) 2.147 27.369 ( 0.603 -0.285 2.037) 2.144 27.424 ( -0.263 -6.070 -3.512) 7.017 29.041 ( -3.650 1.520 0.206) 3.959 29.083 ( -2.188 -2.803 -0.196) 3.562 30.118 ( 1.974 4.093 -5.066) 6.806 30.133 ( 3.075 2.547 -5.206) 6.561 ======================= Grid point 153 (85/104) ======================= q-point: ( 0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( -4.081 -3.656 17.772) 18.597 1.778 ( -10.777 -5.418 15.285) 19.471 2.201 ( 5.545 2.700 -6.569) 9.011 2.300 ( 3.627 -3.805 -4.737) 7.077 2.465 ( 11.403 0.469 3.150) 11.839 2.565 ( 0.602 -5.572 -0.835) 5.666 2.721 ( -2.801 4.029 5.724) 7.540 2.853 ( -3.634 -6.935 2.732) 8.292 3.041 ( -5.973 1.974 -7.118) 9.499 3.089 ( -6.678 -2.333 -4.749) 8.520 3.258 ( 0.774 8.698 -0.529) 8.748 3.441 ( -1.116 -8.346 0.520) 8.436 3.555 ( 5.327 7.117 0.098) 8.891 3.668 ( 4.753 -3.446 -0.585) 5.900 3.966 ( 4.339 5.442 10.330) 12.456 4.075 ( 7.536 -4.836 6.088) 10.828 4.570 ( -8.356 6.855 10.397) 14.997 4.667 ( -4.803 -2.500 9.373) 10.825 4.740 ( -4.339 11.829 3.220) 13.005 4.860 ( -3.877 4.807 -6.121) 8.695 4.938 ( 0.932 -1.535 -3.276) 3.736 4.968 ( -6.086 -0.783 -1.354) 6.283 5.104 ( -1.350 6.321 -2.699) 7.004 5.223 ( -2.124 -6.331 3.800) 7.683 5.345 ( 0.974 4.095 -3.843) 5.700 5.466 ( 1.829 -7.692 -7.431) 10.850 5.613 ( -0.805 -0.028 1.728) 1.906 5.736 ( 1.370 -8.180 -0.174) 8.296 5.981 ( -1.428 4.869 6.862) 8.534 6.054 ( 0.640 -0.868 10.036) 10.094 6.281 ( 0.961 1.995 -5.834) 6.240 6.326 ( 5.298 -2.187 -8.275) 10.067 6.456 ( 4.974 4.747 1.069) 6.958 6.590 ( 6.287 -7.051 -0.784) 9.479 6.857 ( -4.716 6.016 2.853) 8.159 6.959 ( -2.497 -4.125 1.360) 5.010 7.519 ( -1.408 4.913 -3.843) 6.394 7.543 ( -4.748 1.644 -1.446) 5.229 7.558 ( -3.569 2.999 -4.724) 6.637 7.654 ( -5.167 -5.136 -5.057) 8.869 7.913 ( 6.667 5.979 2.332) 9.254 8.014 ( 4.051 -0.539 -7.591) 8.621 8.081 ( -9.763 -1.490 -6.542) 11.846 8.094 ( -6.836 -4.419 -3.884) 9.019 8.324 ( 6.855 8.150 6.078) 12.262 8.461 ( 3.609 -4.745 1.779) 6.221 8.707 ( 2.580 1.147 3.347) 4.379 8.750 ( 0.419 -3.254 0.490) 3.318 10.068 ( 1.696 7.786 3.281) 8.617 10.160 ( 0.704 6.186 -0.615) 6.256 10.257 ( 0.348 -7.398 0.336) 7.414 10.308 ( -1.138 -5.528 -0.719) 5.689 10.554 ( -1.422 4.060 4.746) 6.405 10.659 ( 0.251 -6.760 -1.964) 7.044 10.908 ( 4.584 2.878 -0.402) 5.427 10.984 ( 3.102 -2.939 3.276) 5.385 11.291 ( -5.966 3.114 -9.557) 11.689 11.368 ( -6.521 -3.447 -9.098) 11.712 11.776 ( 2.879 3.937 -2.226) 5.361 11.887 ( 4.548 -5.450 3.908) 8.103 12.028 ( 2.371 0.516 9.158) 9.474 12.082 ( -1.604 -2.561 5.098) 5.927 12.311 ( 7.887 2.998 3.798) 9.253 12.424 ( 6.985 -6.622 1.453) 9.734 13.397 ( -6.919 2.387 -4.155) 8.417 13.456 ( -10.990 -3.053 -2.951) 11.782 13.917 ( 1.135 3.213 -5.482) 6.455 13.959 ( -3.005 -1.153 -6.221) 7.005 14.097 ( 0.892 7.948 7.122) 10.709 14.247 ( 2.182 -6.397 6.950) 9.695 14.537 ( -6.480 5.372 -7.998) 11.611 14.697 ( -8.196 -10.057 -6.504) 14.513 15.370 ( 3.422 6.968 4.435) 8.941 15.458 ( -1.981 -2.765 5.238) 6.245 15.601 ( 3.284 3.990 2.259) 5.640 15.696 ( 4.593 -4.439 -0.893) 6.449 16.029 ( -1.425 2.741 -4.460) 5.425 16.078 ( -1.728 -1.861 -4.483) 5.152 16.524 ( 5.421 0.894 0.809) 5.554 16.529 ( 4.183 0.435 1.952) 4.636 25.107 ( 1.570 0.891 0.991) 2.059 25.120 ( 1.086 -0.365 1.061) 1.562 25.223 ( 1.087 1.175 1.428) 2.145 25.252 ( -0.144 -1.771 1.273) 2.185 25.422 ( -1.674 4.776 0.762) 5.118 25.509 ( -2.760 1.450 -0.945) 3.258 25.539 ( 0.616 -1.626 3.509) 3.916 25.653 ( 0.302 -7.467 2.187) 7.787 27.129 ( 0.907 3.301 1.619) 3.786 27.189 ( 2.817 -1.164 3.897) 4.948 27.385 ( -0.068 -1.589 -2.111) 2.643 27.394 ( -1.154 -3.421 0.288) 3.622 28.983 ( -2.487 1.501 0.635) 2.974 29.034 ( -2.625 -3.587 -0.310) 4.455 30.111 ( 0.861 4.544 -5.728) 7.362 30.141 ( 1.697 1.563 -6.622) 7.012 ======================= Grid point 154 (86/104) ======================= q-point: (-0.50 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.685 ( -10.995 0.728 17.631) 20.791 1.789 ( -3.015 -9.584 15.828) 18.747 2.289 ( 6.544 3.841 -5.949) 9.642 2.333 ( 2.567 -1.774 -3.990) 5.066 2.516 ( -0.016 5.198 3.726) 6.396 2.655 ( 7.099 -6.467 -0.312) 9.608 2.792 ( 2.335 0.889 6.470) 6.936 2.835 ( -4.231 -1.790 -5.267) 6.989 2.937 ( 3.802 0.189 -3.927) 5.469 2.981 ( -2.628 -2.943 -1.001) 4.071 3.311 ( 3.180 3.778 1.592) 5.188 3.391 ( -1.708 -4.006 -1.348) 4.559 3.650 ( 4.463 11.481 -1.672) 12.431 3.745 ( 5.358 2.277 -5.106) 7.743 4.096 ( 2.552 6.934 12.239) 14.296 4.248 ( 4.991 -6.838 7.367) 11.223 4.398 ( -13.801 8.487 8.680) 18.380 4.538 ( -11.273 -4.086 3.453) 12.477 4.697 ( -5.177 5.816 7.291) 10.667 4.798 ( -1.039 1.314 -1.790) 2.452 4.909 ( 1.934 0.493 -2.704) 3.361 4.944 ( 1.762 -1.674 -4.367) 4.998 5.051 ( -4.544 5.681 2.380) 7.654 5.193 ( -2.879 -8.431 2.873) 9.361 5.344 ( 2.005 3.601 -5.668) 7.008 5.461 ( 2.894 -7.223 -8.033) 11.184 5.635 ( 1.690 1.023 3.495) 4.015 5.763 ( 1.988 -8.749 -0.550) 8.989 5.975 ( -3.016 5.849 5.633) 8.662 6.071 ( -3.926 -2.295 7.074) 8.409 6.295 ( 4.489 5.954 -5.869) 9.489 6.397 ( 6.300 -1.156 -8.348) 10.522 6.520 ( -1.351 0.646 2.442) 2.865 6.614 ( -3.826 -5.890 -2.862) 7.584 6.850 ( 4.424 1.908 3.740) 6.099 6.901 ( -1.750 -2.863 1.120) 3.537 7.450 ( -4.769 1.513 0.046) 5.003 7.493 ( -4.189 -1.366 -2.187) 4.919 7.544 ( 3.668 1.916 -1.164) 4.299 7.564 ( 1.263 0.468 1.235) 1.827 7.788 ( -12.127 0.900 -5.629) 13.400 7.845 ( -8.241 -2.268 -8.529) 12.075 8.104 ( 9.123 3.596 -1.755) 9.962 8.176 ( 7.582 -3.975 -2.752) 8.992 8.446 ( 3.157 4.758 1.419) 5.884 8.523 ( 2.675 -3.128 -1.731) 4.465 8.765 ( 1.669 1.601 3.689) 4.354 8.780 ( 0.847 0.039 3.383) 3.488 10.106 ( -0.034 7.153 2.599) 7.611 10.173 ( 1.598 5.933 -1.603) 6.350 10.235 ( -3.078 -2.501 1.940) 4.415 10.301 ( 1.250 -7.797 -1.655) 8.068 10.524 ( -4.485 2.779 4.556) 6.971 10.650 ( -0.713 -8.903 -0.288) 8.936 10.967 ( 1.828 6.063 1.201) 6.445 11.036 ( 1.734 0.201 5.613) 5.878 11.191 ( 0.562 1.938 -10.075) 10.275 11.266 ( -0.117 -3.439 -5.820) 6.761 11.791 ( 0.082 2.921 -5.715) 6.419 11.877 ( -1.847 -4.509 -8.085) 9.439 12.115 ( 0.548 2.320 12.105) 12.337 12.188 ( 4.996 -4.594 10.773) 12.733 12.481 ( 7.646 1.786 2.601) 8.271 12.570 ( 6.679 -6.333 0.471) 9.217 13.225 ( -8.435 2.543 -2.190) 9.079 13.301 ( -3.432 -4.771 -4.534) 7.422 13.858 ( -2.283 1.866 -4.512) 5.390 13.870 ( -1.362 0.487 -5.310) 5.503 14.164 ( 1.866 7.967 5.824) 10.043 14.282 ( -0.859 -1.931 3.552) 4.133 14.434 ( -2.514 0.847 -2.730) 3.807 14.558 ( -3.925 -9.148 -5.081) 11.176 15.424 ( 0.380 1.698 5.301) 5.580 15.435 ( -3.098 -0.018 4.930) 5.822 15.703 ( 5.709 4.705 0.039) 7.397 15.774 ( 4.648 -1.736 -2.649) 5.624 15.985 ( -0.505 1.621 -3.911) 4.264 16.006 ( -2.778 -0.466 -4.786) 5.554 16.570 ( -0.982 1.196 1.860) 2.420 16.593 ( 1.157 -0.926 0.722) 1.648 25.137 ( 0.649 0.443 1.346) 1.558 25.145 ( 0.474 -0.384 1.672) 1.780 25.238 ( -1.547 0.376 0.477) 1.662 25.245 ( 0.346 -0.480 0.746) 0.952 25.404 ( -1.463 4.243 1.602) 4.766 25.459 ( -1.593 1.774 -0.968) 2.573 25.571 ( 0.502 -2.673 4.125) 4.941 25.651 ( -1.556 -7.859 1.215) 8.103 27.165 ( 1.269 3.996 2.525) 4.894 27.258 ( 0.957 -4.683 1.369) 4.972 27.347 ( -0.223 2.733 -0.764) 2.847 27.396 ( 0.139 -1.849 0.416) 1.900 28.970 ( 0.463 0.154 0.840) 0.972 29.002 ( -0.144 -3.173 -0.656) 3.243 30.086 ( 0.062 4.663 -5.106) 6.915 30.121 ( 0.746 1.089 -6.713) 6.841 ======================= Grid point 155 (87/104) ======================= q-point: (-0.33 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -10.046 6.105 16.624) 20.360 1.817 ( -2.694 -16.170 11.741) 20.164 2.318 ( 0.858 4.837 0.721) 4.965 2.383 ( 4.960 -3.967 -8.044) 10.249 2.607 ( -1.062 7.906 2.922) 8.495 2.696 ( 0.352 4.512 -10.201) 11.160 2.759 ( 5.415 -3.576 -5.291) 8.373 2.840 ( 1.976 -6.716 0.535) 7.021 2.921 ( -2.706 -0.411 3.049) 4.098 2.971 ( -2.096 -3.949 0.279) 4.480 3.370 ( 5.754 5.584 -0.102) 8.018 3.490 ( 8.622 -5.632 0.643) 10.318 3.662 ( 0.443 16.034 -5.835) 17.069 3.808 ( 5.328 5.381 -8.736) 11.561 4.146 ( -5.882 4.049 6.566) 9.701 4.240 ( -11.485 7.688 21.802) 25.814 4.315 ( 0.015 -6.845 -3.212) 7.562 4.362 ( -9.307 -1.053 9.361) 13.243 4.676 ( -1.722 3.930 5.048) 6.625 4.807 ( 1.893 -6.180 0.532) 6.485 4.931 ( -0.169 6.274 0.312) 6.284 4.960 ( 1.834 1.862 -4.392) 5.111 5.009 ( 0.588 -1.305 7.994) 8.121 5.149 ( -3.669 -11.465 3.821) 12.630 5.366 ( 4.221 5.263 -6.498) 9.367 5.477 ( 3.433 -5.143 -7.195) 9.487 5.698 ( 2.703 2.366 1.062) 3.746 5.803 ( 3.075 -6.421 -1.320) 7.241 5.969 ( -0.905 2.236 6.412) 6.851 6.029 ( -4.033 -3.405 5.613) 7.705 6.324 ( -0.450 6.249 -5.192) 8.137 6.363 ( -4.625 2.893 -7.487) 9.263 6.449 ( -5.343 -0.367 2.435) 5.883 6.550 ( 0.015 -8.605 -1.531) 8.740 6.949 ( 6.842 4.307 0.448) 8.097 7.013 ( 8.231 -1.592 0.505) 8.399 7.352 ( -6.978 -1.275 2.270) 7.448 7.357 ( -7.978 -1.159 3.423) 8.759 7.578 ( -1.704 -0.978 -3.292) 3.834 7.595 ( -0.464 -1.848 -4.515) 4.901 7.688 ( 5.671 6.913 7.249) 11.510 7.809 ( 6.431 -4.497 3.465) 8.578 8.190 ( 2.304 1.794 -7.409) 7.963 8.234 ( 2.640 -2.527 -8.160) 8.941 8.471 ( -0.055 3.996 -0.293) 4.007 8.530 ( 0.245 -1.879 -3.584) 4.054 8.782 ( -1.098 3.365 0.654) 3.599 8.822 ( 1.053 -0.636 1.532) 1.964 10.090 ( -2.954 6.118 1.875) 7.048 10.177 ( -1.353 2.050 -0.827) 2.592 10.207 ( -0.602 0.828 1.719) 2.001 10.308 ( -0.182 -7.969 -0.461) 7.984 10.493 ( -0.303 5.740 2.451) 6.249 10.646 ( 0.606 -8.468 0.221) 8.493 11.023 ( 3.347 6.439 0.210) 7.259 11.129 ( 4.881 -2.500 5.877) 8.038 11.170 ( 2.240 3.910 -5.705) 7.270 11.253 ( 1.773 -3.524 -6.852) 7.907 11.686 ( -6.353 3.084 -4.382) 8.311 11.803 ( -2.657 -6.925 -5.947) 9.507 12.165 ( -1.184 6.425 6.286) 9.067 12.307 ( 2.152 -6.415 4.157) 7.941 12.554 ( -0.677 -0.355 -4.106) 4.177 12.612 ( -0.636 -5.824 -6.247) 8.564 13.152 ( 1.250 6.128 3.626) 7.229 13.291 ( 4.129 -7.151 1.631) 8.417 13.844 ( 2.092 2.908 -0.504) 3.617 13.872 ( 3.855 0.517 -2.212) 4.475 14.235 ( 1.686 5.443 5.035) 7.603 14.285 ( 0.348 6.004 -0.728) 6.058 14.397 ( -2.257 -6.837 4.946) 8.735 14.474 ( -1.149 -8.745 -1.796) 9.001 15.408 ( -3.261 3.189 3.652) 5.843 15.459 ( -0.270 -1.628 5.358) 5.607 15.766 ( 2.632 3.703 -5.123) 6.847 15.813 ( 1.985 -0.664 -7.148) 7.449 15.945 ( -0.437 3.120 -1.067) 3.326 15.987 ( 2.333 -1.008 -0.602) 2.612 16.515 ( -5.863 2.189 1.630) 6.467 16.569 ( -4.133 -2.865 0.441) 5.048 25.132 ( -1.894 0.491 0.385) 1.994 25.142 ( -1.475 -0.209 0.089) 1.493 25.220 ( -1.082 1.212 2.052) 2.618 25.246 ( -0.545 -1.153 0.740) 1.474 25.388 ( -0.928 4.514 1.822) 4.955 25.450 ( 0.354 -0.547 1.179) 1.347 25.602 ( 0.020 -4.253 3.874) 5.753 25.619 ( -2.360 -5.055 0.816) 5.638 27.186 ( -0.951 1.664 1.656) 2.533 27.220 ( -2.274 -1.310 -2.005) 3.303 27.363 ( -0.179 3.032 0.180) 3.043 27.427 ( 2.842 -2.937 0.660) 4.140 29.001 ( 2.639 0.057 0.022) 2.639 29.028 ( 3.053 -2.901 -0.353) 4.226 30.062 ( 0.401 4.744 -3.682) 6.019 30.098 ( 0.768 1.213 -5.304) 5.495 ======================= Grid point 156 (88/104) ======================= q-point: (-0.17 0.43 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.555 ( -4.022 9.106 16.445) 19.223 1.848 ( -0.248 -19.167 8.379) 20.920 2.317 ( -1.650 2.404 -2.718) 3.986 2.376 ( -0.427 -4.179 -8.935) 9.874 2.457 ( -7.855 8.117 -4.598) 12.195 2.662 ( -3.453 -6.514 -5.387) 9.131 2.790 ( -2.123 -2.067 -0.350) 2.984 2.824 ( 4.145 -2.456 -3.271) 5.823 3.000 ( 5.447 2.968 6.614) 9.068 3.052 ( 7.163 -1.525 4.259) 8.471 3.426 ( 1.514 8.482 -6.493) 10.789 3.587 ( 2.143 -5.861 -4.258) 7.555 3.654 ( 1.612 8.368 -4.840) 9.800 3.803 ( 1.738 -1.880 -13.712) 13.949 4.015 ( -9.821 2.384 3.802) 10.798 4.128 ( -11.970 -5.787 3.791) 13.825 4.288 ( -3.287 9.461 15.726) 18.645 4.363 ( -0.196 4.630 15.511) 16.188 4.683 ( -0.061 5.709 4.370) 7.190 4.853 ( 3.480 -5.821 2.054) 7.086 4.955 ( 0.994 5.422 4.870) 7.356 4.988 ( 1.332 4.286 2.349) 5.066 5.113 ( 4.984 -4.903 3.755) 7.936 5.152 ( 1.764 -9.732 4.312) 10.790 5.400 ( 3.431 3.968 -6.068) 8.022 5.482 ( 1.812 -3.016 -7.718) 8.482 5.705 ( -1.606 4.635 -2.922) 5.710 5.831 ( -0.669 -5.697 -2.338) 6.195 5.999 ( -1.608 -0.012 6.672) 6.863 6.023 ( -0.846 -2.542 7.487) 7.952 6.223 ( -4.229 2.089 -1.022) 4.826 6.232 ( -3.431 0.783 -4.614) 5.803 6.423 ( -0.103 3.015 -1.693) 3.459 6.520 ( -2.347 -5.377 -2.573) 6.407 7.041 ( 0.212 1.484 -5.504) 5.705 7.062 ( -0.860 -0.175 -3.216) 3.334 7.279 ( 1.699 6.979 8.470) 11.105 7.393 ( 4.620 -1.914 8.142) 9.555 7.570 ( 3.103 0.309 -0.406) 3.145 7.627 ( 4.012 -5.530 1.601) 7.017 7.828 ( 3.900 8.056 4.791) 10.152 7.982 ( 6.885 -6.900 4.102) 10.575 8.137 ( -0.374 3.974 -7.555) 8.545 8.222 ( 1.549 -4.013 -5.120) 6.687 8.452 ( -0.603 4.406 -2.074) 4.907 8.495 ( -1.410 0.320 -4.416) 4.646 8.751 ( -1.939 1.714 -2.405) 3.533 8.802 ( -2.382 -2.913 -2.920) 4.763 10.040 ( -3.542 5.393 2.463) 6.906 10.125 ( -3.459 0.323 0.870) 3.581 10.225 ( 1.568 0.375 0.926) 1.859 10.293 ( -1.120 -5.984 -0.334) 6.097 10.531 ( 3.214 6.370 -1.005) 7.206 10.666 ( 1.660 -6.814 -1.466) 7.164 10.984 ( -4.663 7.611 -11.370) 14.455 11.168 ( -4.530 -9.076 -10.329) 14.477 11.254 ( 7.462 3.484 4.439) 9.355 11.320 ( 9.248 -1.524 7.555) 12.038 11.596 ( -1.247 2.346 1.838) 3.231 11.725 ( -3.464 -7.520 3.289) 8.909 12.135 ( -4.142 9.229 -2.246) 10.362 12.311 ( -0.589 -3.158 -5.282) 6.182 12.415 ( -9.064 -2.984 -7.925) 12.404 12.512 ( -3.898 -7.811 -8.903) 12.469 13.295 ( 9.151 8.877 7.696) 14.892 13.456 ( 9.346 -6.360 8.334) 14.044 13.850 ( -1.645 5.834 -0.511) 6.083 13.960 ( 4.569 -4.032 0.032) 6.094 14.182 ( -5.011 2.755 -1.190) 5.841 14.288 ( -7.545 -7.072 -2.885) 10.736 14.421 ( 10.011 10.287 8.672) 16.771 14.646 ( 13.276 -11.626 9.285) 19.941 15.338 ( -5.972 7.259 0.225) 9.403 15.459 ( -3.001 -4.685 2.970) 6.307 15.747 ( -0.548 2.426 -7.030) 7.457 15.768 ( -1.141 -0.049 -7.067) 7.159 15.985 ( 4.021 4.244 1.073) 5.944 16.051 ( 4.289 -2.241 0.102) 4.840 16.402 ( -6.768 2.570 1.444) 7.382 16.464 ( -6.842 -3.422 0.264) 7.654 25.092 ( -2.004 1.264 0.009) 2.369 25.109 ( -1.537 -0.126 -0.609) 1.658 25.210 ( -1.591 1.230 2.170) 2.958 25.237 ( -1.083 -1.263 1.045) 1.965 25.402 ( 0.909 3.665 2.743) 4.667 25.476 ( 0.838 -3.243 2.920) 4.444 25.581 ( -1.947 -1.147 0.645) 2.350 25.615 ( -0.895 -4.234 2.834) 5.173 27.149 ( -1.871 1.649 -1.271) 2.799 27.189 ( -1.672 -2.419 0.397) 2.967 27.352 ( -0.491 4.727 -0.464) 4.775 27.461 ( 0.699 -6.115 -1.035) 6.241 29.059 ( 3.428 0.198 -0.509) 3.471 29.082 ( 2.354 -2.191 -0.347) 3.235 30.064 ( 1.987 4.642 -2.759) 5.754 30.091 ( 1.542 1.960 -3.812) 4.555 ======================= Grid point 175 (89/104) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 56 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.298 ( 10.523 0.000 -13.810) 17.362 2.298 ( -10.523 0.000 13.810) 17.362 2.414 ( -5.033 0.000 -14.671) 15.511 2.414 ( 5.033 0.000 14.671) 15.511 2.844 ( 2.727 0.000 -0.944) 2.886 2.844 ( -2.727 0.000 0.944) 2.886 2.882 ( -5.042 0.000 1.182) 5.179 2.882 ( 5.042 0.000 -1.182) 5.179 3.117 ( -1.800 0.000 -2.565) 3.133 3.117 ( 1.800 0.000 2.565) 3.133 3.353 ( -1.270 0.000 -2.326) 2.650 3.353 ( 1.270 0.000 2.326) 2.650 3.862 ( -0.238 0.000 -2.397) 2.409 3.862 ( 0.238 0.000 2.397) 2.409 4.055 ( -15.413 0.000 -15.017) 21.519 4.055 ( 15.413 0.000 15.017) 21.519 4.348 ( -10.189 0.000 -17.377) 20.143 4.348 ( 10.189 0.000 17.377) 20.143 4.525 ( 1.056 0.000 -23.698) 23.721 4.525 ( -1.056 0.000 23.698) 23.721 4.773 ( 0.009 0.000 -0.605) 0.605 4.773 ( -0.009 0.000 0.605) 0.605 4.861 ( -0.680 0.000 -2.744) 2.827 4.861 ( 0.680 0.000 2.744) 2.827 5.384 ( -3.048 0.000 -6.592) 7.262 5.384 ( 3.048 0.000 6.592) 7.262 5.660 ( 3.985 0.000 -2.337) 4.619 5.660 ( -3.985 0.000 2.337) 4.619 6.159 ( 2.371 0.000 -1.224) 2.668 6.159 ( -2.371 0.000 1.224) 2.668 6.360 ( -0.618 0.000 -7.965) 7.989 6.360 ( 0.618 0.000 7.965) 7.989 6.458 ( 6.725 0.000 -5.815) 8.890 6.458 ( -6.725 0.000 5.815) 8.890 6.916 ( -13.011 0.000 2.720) 13.292 6.916 ( 13.011 0.000 -2.720) 13.292 7.217 ( -7.044 0.000 -0.917) 7.103 7.217 ( 7.044 0.000 0.917) 7.103 7.470 ( 0.568 0.000 -5.302) 5.332 7.470 ( -0.568 0.000 5.302) 5.332 7.785 ( -10.861 0.000 -1.447) 10.957 7.785 ( 10.861 0.000 1.447) 10.957 8.097 ( -1.870 0.000 -12.123) 12.267 8.097 ( 1.870 0.000 12.123) 12.267 8.543 ( -6.252 0.000 -2.257) 6.647 8.543 ( 6.252 0.000 2.257) 6.647 8.836 ( 5.170 0.000 -4.480) 6.841 8.836 ( -5.170 0.000 4.480) 6.841 9.978 ( 4.359 0.000 -1.801) 4.716 9.978 ( -4.359 0.000 1.801) 4.716 10.252 ( 4.655 0.000 -1.889) 5.023 10.252 ( -4.655 0.000 1.889) 5.023 10.862 ( 4.400 0.000 -2.559) 5.090 10.862 ( -4.400 0.000 2.559) 5.090 11.089 ( -4.604 0.000 -9.801) 10.829 11.089 ( 4.604 0.000 9.801) 10.829 11.475 ( -4.474 0.000 0.399) 4.492 11.475 ( 4.474 0.000 -0.399) 4.492 11.809 ( -4.869 0.000 -3.199) 5.826 11.809 ( 4.869 0.000 3.199) 5.826 11.990 ( -7.103 0.000 -5.578) 9.032 11.990 ( 7.103 0.000 5.578) 9.032 12.449 ( -6.104 0.000 -7.625) 9.767 12.449 ( 6.104 0.000 7.625) 9.767 13.362 ( -0.820 0.000 -6.792) 6.841 13.362 ( 0.820 0.000 6.792) 6.841 14.070 ( 4.898 0.000 -3.407) 5.966 14.070 ( -4.898 0.000 3.407) 5.966 14.424 ( 7.004 0.000 -4.294) 8.216 14.424 ( -7.004 0.000 4.294) 8.216 14.511 ( -4.433 0.000 1.051) 4.556 14.511 ( 4.433 0.000 -1.051) 4.556 15.376 ( -3.134 0.000 -0.356) 3.155 15.376 ( 3.134 0.000 0.356) 3.155 15.631 ( -5.845 0.000 -3.318) 6.721 15.631 ( 5.845 0.000 3.318) 6.721 16.086 ( -3.436 0.000 -4.077) 5.332 16.086 ( 3.436 0.000 4.077) 5.332 16.326 ( -2.039 0.000 -4.640) 5.068 16.326 ( 2.039 0.000 4.640) 5.068 25.028 ( 0.679 0.000 -1.020) 1.225 25.028 ( -0.679 0.000 1.020) 1.225 25.221 ( 2.865 0.000 -1.806) 3.387 25.221 ( -2.865 0.000 1.806) 3.387 25.518 ( -6.127 0.000 -5.316) 8.111 25.518 ( 6.127 0.000 5.316) 8.111 25.746 ( -3.495 0.000 0.706) 3.565 25.746 ( 3.495 0.000 -0.706) 3.565 27.120 ( 1.353 0.000 -4.561) 4.757 27.120 ( -1.353 0.000 4.561) 4.757 27.762 ( 4.169 0.000 -13.704) 14.324 27.762 ( -4.169 0.000 13.704) 14.324 29.210 ( 4.515 0.000 -7.495) 8.750 29.210 ( -4.515 0.000 7.495) 8.750 29.579 ( 1.796 0.000 -1.137) 2.126 29.579 ( -1.796 0.000 1.137) 2.126 ======================= Grid point 177 (90/104) ======================= q-point: ( 0.17 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( -5.515 0.000 -6.938) 8.862 2.274 ( -6.792 0.000 0.874) 6.848 2.336 ( 2.966 0.000 -18.955) 19.186 2.598 ( 3.500 0.000 11.451) 11.974 2.661 ( -11.496 0.000 1.341) 11.574 2.677 ( -9.929 0.000 4.929) 11.086 2.878 ( -1.934 0.000 -0.560) 2.014 2.960 ( 3.412 0.000 -6.059) 6.953 3.098 ( -0.202 0.000 -6.329) 6.332 3.137 ( -3.068 0.000 0.461) 3.102 3.295 ( -2.912 0.000 -6.676) 7.283 3.374 ( -1.300 0.000 4.425) 4.612 3.707 ( -9.933 0.000 -10.131) 14.188 3.843 ( -0.968 0.000 1.416) 1.715 3.920 ( 1.981 0.000 4.126) 4.577 4.066 ( -6.693 0.000 -15.182) 16.592 4.348 ( 1.215 0.000 3.587) 3.787 4.458 ( 12.735 0.000 -16.983) 21.227 4.529 ( 1.591 0.000 10.132) 10.256 4.661 ( 0.041 0.000 17.158) 17.158 4.733 ( -4.671 0.000 6.512) 8.014 4.751 ( -2.736 0.000 3.358) 4.332 4.857 ( 2.851 0.000 -8.714) 9.168 4.897 ( 1.424 0.000 -0.620) 1.553 5.389 ( 4.636 0.000 1.105) 4.766 5.540 ( 5.946 0.000 11.006) 12.509 5.640 ( -1.438 0.000 8.544) 8.664 5.733 ( 4.390 0.000 -0.413) 4.410 6.054 ( -6.211 0.000 -0.561) 6.236 6.156 ( 1.267 0.000 -1.507) 1.969 6.287 ( -2.266 0.000 -8.617) 8.910 6.413 ( -2.700 0.000 7.500) 7.971 6.500 ( 7.022 0.000 7.684) 10.409 6.608 ( 6.403 0.000 -6.163) 8.887 6.736 ( -1.566 0.000 0.428) 1.623 7.045 ( 2.822 0.000 -5.804) 6.454 7.165 ( 1.595 0.000 1.413) 2.131 7.393 ( 10.464 0.000 -2.237) 10.700 7.482 ( 3.416 0.000 -2.846) 4.446 7.538 ( 4.572 0.000 7.069) 8.419 7.710 ( 3.127 0.000 5.216) 6.082 7.907 ( -1.412 0.000 -9.750) 9.852 8.095 ( 9.897 0.000 3.387) 10.460 8.149 ( -4.660 0.000 7.300) 8.661 8.349 ( -13.579 0.000 7.176) 15.358 8.571 ( -4.518 0.000 3.247) 5.563 8.752 ( -5.573 0.000 -1.860) 5.875 8.870 ( 1.919 0.000 -8.968) 9.171 9.938 ( -0.667 0.000 1.967) 2.077 10.036 ( 3.149 0.000 -3.148) 4.452 10.231 ( 1.004 0.000 3.941) 4.067 10.333 ( 5.004 0.000 -2.771) 5.720 10.786 ( -5.602 0.000 5.166) 7.620 10.854 ( -5.021 0.000 -0.450) 5.041 11.014 ( 4.941 0.000 -12.219) 13.181 11.203 ( -2.755 0.000 5.248) 5.927 11.263 ( -6.687 0.000 -6.084) 9.040 11.388 ( -6.189 0.000 -10.302) 12.018 11.786 ( -4.346 0.000 -13.742) 14.413 11.891 ( 3.188 0.000 14.155) 14.510 11.990 ( -6.101 0.000 -1.720) 6.339 12.051 ( 8.636 0.000 10.108) 13.295 12.448 ( 8.642 0.000 3.635) 9.375 12.627 ( 6.662 0.000 9.492) 11.597 13.339 ( 1.821 0.000 -7.047) 7.279 13.471 ( 6.328 0.000 7.564) 9.862 13.896 ( -12.295 0.000 -1.258) 12.359 13.996 ( -6.579 0.000 -9.111) 11.238 14.169 ( -16.393 0.000 -1.000) 16.423 14.429 ( 1.415 0.000 -7.802) 7.930 14.613 ( 5.085 0.000 10.256) 11.447 14.698 ( 8.151 0.000 5.144) 9.639 15.303 ( -4.291 0.000 -1.285) 4.479 15.412 ( -0.374 0.000 -0.795) 0.878 15.512 ( -2.946 0.000 -3.827) 4.829 15.715 ( 1.365 0.000 -1.484) 2.017 15.942 ( -4.598 0.000 -6.513) 7.972 16.083 ( -2.966 0.000 0.411) 2.994 16.371 ( 6.382 0.000 -0.042) 6.382 16.469 ( 6.681 0.000 6.678) 9.446 25.043 ( 1.233 0.000 0.963) 1.564 25.064 ( 3.627 0.000 -0.314) 3.641 25.194 ( -0.938 0.000 2.325) 2.507 25.253 ( 1.545 0.000 -2.647) 3.065 25.381 ( -5.018 0.000 -2.640) 5.670 25.564 ( -3.813 0.000 2.053) 4.331 25.815 ( 7.303 0.000 9.336) 11.854 25.851 ( 7.728 0.000 -0.812) 7.771 27.118 ( 1.140 0.000 -3.859) 4.024 27.128 ( -0.725 0.000 5.140) 5.191 27.644 ( -14.410 0.000 5.603) 15.461 27.654 ( -5.216 0.000 -15.060) 15.937 29.232 ( 1.308 0.000 8.771) 8.868 29.284 ( 7.919 0.000 -9.018) 12.001 29.550 ( -1.887 0.000 1.086) 2.177 29.594 ( 0.847 0.000 -2.030) 2.199 ======================= Grid point 178 (91/104) ======================= q-point: ( 0.33 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 104 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 4.073 0.000 -17.222) 17.697 2.132 ( -10.468 0.000 9.808) 14.345 2.180 ( -6.176 0.000 -15.951) 17.105 2.435 ( -12.541 0.000 -3.450) 13.007 2.590 ( 0.376 0.000 9.949) 9.957 2.782 ( 3.239 0.000 10.393) 10.886 2.845 ( 0.119 0.000 -1.891) 1.895 2.920 ( -2.706 0.000 -8.997) 9.395 3.008 ( -3.693 0.000 -6.746) 7.691 3.024 ( -8.375 0.000 -0.264) 8.379 3.207 ( 0.453 0.000 -6.661) 6.677 3.325 ( -6.362 0.000 3.619) 7.319 3.619 ( 3.263 0.000 -3.646) 4.893 3.817 ( -5.683 0.000 0.992) 5.769 3.973 ( 3.363 0.000 -3.802) 5.076 3.989 ( 1.454 0.000 6.359) 6.523 4.311 ( 6.183 0.000 -18.713) 19.708 4.538 ( -11.137 0.000 16.055) 19.539 4.631 ( 5.456 0.000 2.462) 5.986 4.674 ( 3.474 0.000 -1.678) 3.858 4.753 ( 2.429 0.000 0.620) 2.507 4.766 ( -2.231 0.000 9.803) 10.053 4.823 ( 0.442 0.000 -9.218) 9.228 4.872 ( -3.614 0.000 -1.426) 3.886 5.503 ( 5.425 0.000 2.823) 6.116 5.645 ( -0.729 0.000 6.085) 6.129 5.700 ( 0.506 0.000 11.830) 11.840 5.791 ( 2.231 0.000 -2.781) 3.565 6.005 ( 1.627 0.000 -0.506) 1.704 6.188 ( -4.462 0.000 -3.014) 5.385 6.226 ( 6.926 0.000 -3.718) 7.861 6.390 ( -4.133 0.000 6.111) 7.377 6.577 ( 0.927 0.000 -2.479) 2.646 6.651 ( 1.212 0.000 8.219) 8.308 6.881 ( 11.165 0.000 -4.524) 12.046 7.040 ( 1.690 0.000 -2.236) 2.803 7.285 ( 8.546 0.000 4.845) 9.824 7.501 ( 3.983 0.000 -1.684) 4.325 7.556 ( 5.415 0.000 -0.650) 5.454 7.654 ( -0.524 0.000 3.512) 3.551 7.807 ( -1.156 0.000 -8.332) 8.412 7.864 ( 4.830 0.000 -0.641) 4.872 8.027 ( -3.547 0.000 9.311) 9.963 8.272 ( 4.674 0.000 3.045) 5.579 8.278 ( -1.289 0.000 9.425) 9.513 8.441 ( -9.155 0.000 -2.788) 9.570 8.618 ( -6.026 0.000 -2.251) 6.433 8.781 ( -6.019 0.000 -7.563) 9.666 9.977 ( 3.136 0.000 2.133) 3.793 10.066 ( 1.916 0.000 -3.022) 3.578 10.301 ( 2.420 0.000 5.932) 6.406 10.383 ( 2.733 0.000 -4.793) 5.518 10.737 ( -3.946 0.000 6.718) 7.791 10.755 ( -3.869 0.000 -1.410) 4.118 11.041 ( -4.465 0.000 -3.745) 5.828 11.067 ( 7.856 0.000 -12.154) 14.472 11.204 ( -6.996 0.000 -7.898) 10.552 11.253 ( -4.868 0.000 7.771) 9.170 11.654 ( -1.130 0.000 -8.972) 9.043 11.795 ( -9.605 0.000 -3.133) 10.103 12.081 ( 8.511 0.000 8.393) 11.953 12.236 ( 2.874 0.000 9.232) 9.669 12.676 ( 11.360 0.000 4.181) 12.104 12.788 ( 4.631 0.000 9.163) 10.266 13.316 ( 1.288 0.000 -9.905) 9.988 13.542 ( -8.768 0.000 -1.155) 8.843 13.774 ( 3.394 0.000 4.080) 5.307 13.820 ( -5.663 0.000 -7.154) 9.124 13.914 ( -9.221 0.000 6.993) 11.572 14.337 ( -6.060 0.000 -11.317) 12.838 14.752 ( 3.670 0.000 8.565) 9.318 14.822 ( 2.936 0.000 2.407) 3.796 15.227 ( -1.924 0.000 -2.348) 3.035 15.325 ( -5.033 0.000 -4.125) 6.507 15.524 ( 3.061 0.000 0.413) 3.089 15.662 ( -3.268 0.000 -3.436) 4.742 15.910 ( 2.537 0.000 -3.250) 4.123 16.021 ( -4.146 0.000 1.143) 4.301 16.501 ( 6.973 0.000 0.054) 6.974 16.586 ( 2.246 0.000 4.183) 4.748 25.071 ( 1.483 0.000 0.166) 1.493 25.128 ( 1.583 0.000 -0.047) 1.583 25.221 ( 1.625 0.000 3.789) 4.123 25.249 ( 1.563 0.000 -0.816) 1.763 25.323 ( -0.313 0.000 -3.753) 3.766 25.473 ( -6.377 0.000 0.507) 6.397 25.995 ( 9.233 0.000 -4.538) 10.288 26.009 ( 4.099 0.000 15.161) 15.706 27.120 ( 1.229 0.000 -1.416) 1.875 27.165 ( 1.328 0.000 6.399) 6.535 27.376 ( -13.794 0.000 -3.288) 14.181 27.446 ( -7.636 0.000 -12.427) 14.586 29.324 ( 1.234 0.000 10.652) 10.723 29.357 ( 6.109 0.000 -10.304) 11.979 29.535 ( -0.545 0.000 2.177) 2.244 29.586 ( -0.052 0.000 -3.295) 3.295 ======================= Grid point 179 (92/104) ======================= q-point: (-0.50 0.00 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 52 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.097 0.000 -7.006) 7.006 2.038 ( -0.097 0.000 7.006) 7.006 2.195 ( -10.714 0.000 -0.743) 10.740 2.195 ( 10.714 0.000 0.743) 10.740 2.729 ( -6.097 0.000 -10.865) 12.458 2.729 ( 6.097 0.000 10.865) 12.458 2.884 ( -4.701 0.000 0.781) 4.766 2.884 ( 4.701 0.000 -0.781) 4.766 2.920 ( -1.342 0.000 -6.262) 6.404 2.920 ( 1.342 0.000 6.262) 6.404 3.236 ( 4.966 0.000 -3.150) 5.881 3.236 ( -4.966 0.000 3.150) 5.881 3.699 ( -6.144 0.000 0.372) 6.155 3.699 ( 6.144 0.000 -0.372) 6.155 4.022 ( 1.983 0.000 -4.009) 4.472 4.022 ( -1.983 0.000 4.009) 4.472 4.389 ( 13.772 0.000 -17.311) 22.121 4.389 ( -13.772 0.000 17.311) 22.121 4.710 ( -1.500 0.000 -8.155) 8.291 4.710 ( 1.500 0.000 8.155) 8.291 4.767 ( -5.471 0.000 -1.529) 5.681 4.767 ( 5.471 0.000 1.529) 5.681 4.809 ( 2.718 0.000 -4.371) 5.147 4.809 ( -2.718 0.000 4.371) 5.147 5.604 ( -4.457 0.000 -0.536) 4.489 5.604 ( 4.457 0.000 0.536) 4.489 5.772 ( -0.213 0.000 -8.482) 8.485 5.772 ( 0.213 0.000 8.482) 8.485 6.080 ( -5.536 0.000 -0.694) 5.580 6.080 ( 5.536 0.000 0.694) 5.580 6.330 ( 6.323 0.000 -4.831) 7.958 6.330 ( -6.323 0.000 4.831) 7.958 6.631 ( 5.167 0.000 -3.422) 6.197 6.631 ( -5.167 0.000 3.422) 6.197 7.024 ( 5.831 0.000 -2.538) 6.359 7.024 ( -5.831 0.000 2.538) 6.359 7.467 ( -6.732 0.000 -5.073) 8.430 7.467 ( 6.732 0.000 5.073) 8.430 7.616 ( 1.910 0.000 -3.855) 4.302 7.616 ( -1.910 0.000 3.854) 4.302 7.816 ( -4.781 0.000 0.731) 4.837 7.816 ( 4.781 0.000 -0.731) 4.837 8.203 ( -8.820 0.000 -10.543) 13.746 8.203 ( 8.820 0.000 10.543) 13.746 8.326 ( -1.973 0.000 0.345) 2.003 8.326 ( 1.973 0.000 -0.345) 2.003 8.615 ( -5.861 0.000 -4.133) 7.172 8.615 ( 5.861 0.000 4.133) 7.172 10.047 ( -2.247 0.000 -2.405) 3.292 10.047 ( 2.247 0.000 2.405) 3.292 10.369 ( -0.595 0.000 -6.313) 6.341 10.369 ( 0.595 0.000 6.313) 6.341 10.716 ( 1.153 0.000 -3.501) 3.686 10.716 ( -1.153 0.000 3.501) 3.686 11.044 ( -3.272 0.000 -4.931) 5.918 11.044 ( 3.272 0.000 4.931) 5.918 11.174 ( 8.076 0.000 -8.809) 11.950 11.174 ( -8.076 0.000 8.809) 11.950 11.656 ( 5.217 0.000 -3.117) 6.077 11.656 ( -5.217 0.000 3.117) 6.077 12.242 ( -5.207 0.000 0.254) 5.214 12.242 ( 5.207 0.000 -0.254) 5.214 12.843 ( 4.626 0.000 -2.689) 5.351 12.843 ( -4.626 0.000 2.689) 5.351 13.341 ( 9.195 0.000 -5.137) 10.533 13.341 ( -9.195 0.000 5.137) 10.533 13.751 ( 1.294 0.000 -1.708) 2.143 13.751 ( -1.294 0.000 1.708) 2.143 14.092 ( -11.046 0.000 -14.972) 18.606 14.092 ( 11.046 0.000 14.972) 18.606 14.833 ( -0.998 0.000 -3.729) 3.860 14.833 ( 0.998 0.000 3.729) 3.860 15.232 ( -2.806 0.000 -1.255) 3.074 15.232 ( 2.806 0.000 1.255) 3.074 15.589 ( -3.354 0.000 -1.464) 3.660 15.589 ( 3.354 0.000 1.464) 3.660 15.955 ( 4.077 0.000 -2.448) 4.755 15.955 ( -4.077 0.000 2.448) 4.755 16.593 ( 3.225 0.000 -1.631) 3.614 16.593 ( -3.225 0.000 1.631) 3.614 25.105 ( -2.229 0.000 -0.149) 2.233 25.105 ( 2.229 0.000 0.149) 2.233 25.275 ( -1.290 0.000 -3.172) 3.424 25.275 ( 1.290 0.000 3.172) 3.424 25.352 ( -6.964 0.000 1.120) 7.053 25.352 ( 6.964 0.000 -1.120) 7.053 26.088 ( 5.055 0.000 -12.233) 13.237 26.088 ( -5.055 0.000 12.233) 13.237 27.176 ( -5.377 0.000 -3.571) 6.455 27.176 ( 5.377 0.000 3.571) 6.455 27.264 ( -5.002 0.000 -8.828) 10.147 27.264 ( 5.002 0.000 8.828) 10.147 29.375 ( 2.646 0.000 -10.586) 10.911 29.375 ( -2.646 0.000 10.586) 10.911 29.557 ( -0.608 0.000 -3.724) 3.773 29.557 ( 0.608 0.000 3.724) 3.773 ======================= Grid point 183 (93/104) ======================= q-point: ( 0.00 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.265 ( -4.800 -6.076 -10.360) 12.934 2.265 ( 4.800 -6.076 10.360) 12.934 2.369 ( 2.159 -1.571 -8.380) 8.795 2.369 ( -2.159 -1.571 8.380) 8.795 2.728 ( 0.021 -12.187 -3.318) 12.631 2.728 ( -0.021 -12.187 3.318) 12.631 2.889 ( -5.507 0.303 0.002) 5.515 2.889 ( 5.507 0.303 -0.002) 5.515 3.072 ( -0.613 -1.201 -0.356) 1.394 3.072 ( 0.613 -1.201 0.356) 1.394 3.350 ( -2.150 0.269 -2.888) 3.611 3.350 ( 2.150 0.269 2.888) 3.611 3.813 ( -6.199 -5.554 -0.994) 8.383 3.813 ( 6.199 -5.554 0.994) 8.383 4.027 ( -6.913 -2.125 -11.543) 13.621 4.027 ( 6.913 -2.125 11.543) 13.621 4.404 ( -7.133 5.542 -12.802) 15.668 4.404 ( 7.133 5.542 12.802) 15.668 4.545 ( 1.944 3.345 -18.434) 18.836 4.545 ( -1.944 3.345 18.434) 18.836 4.830 ( -0.976 4.693 -1.950) 5.175 4.830 ( 0.976 4.693 1.950) 5.175 4.981 ( 1.837 9.870 -7.895) 12.772 4.981 ( -1.837 9.870 7.895) 12.772 5.421 ( -2.708 3.051 -6.314) 7.517 5.421 ( 2.708 3.051 6.314) 7.517 5.740 ( 0.238 5.350 -4.721) 7.139 5.740 ( -0.238 5.350 4.721) 7.139 6.095 ( 0.687 -4.372 -2.037) 4.872 6.095 ( -0.687 -4.372 2.037) 4.872 6.277 ( -4.201 -6.772 -3.514) 8.709 6.277 ( 4.201 -6.772 3.514) 8.709 6.451 ( -0.389 -0.536 -3.520) 3.582 6.451 ( 0.389 -0.536 3.520) 3.582 6.946 ( 6.548 1.448 -3.886) 7.750 6.946 ( -6.548 1.448 3.886) 7.750 7.257 ( -3.355 4.632 -4.391) 7.211 7.257 ( 3.355 4.632 4.391) 7.211 7.515 ( 1.028 4.237 -3.074) 5.335 7.515 ( -1.028 4.237 3.074) 5.335 7.808 ( -10.765 1.480 -3.429) 11.395 7.808 ( 10.765 1.480 3.429) 11.395 8.138 ( -1.962 4.138 -9.024) 10.119 8.138 ( 1.962 4.138 9.024) 10.119 8.526 ( -6.093 -1.669 -1.198) 6.430 8.526 ( 6.093 -1.669 1.198) 6.430 8.794 ( 5.469 -4.038 -3.915) 7.845 8.794 ( -5.469 -4.038 3.915) 7.845 9.978 ( 3.565 0.202 -1.990) 4.088 9.978 ( -3.565 0.202 1.990) 4.088 10.269 ( 3.766 1.519 -3.296) 5.230 10.269 ( -3.766 1.519 3.296) 5.230 10.765 ( 5.055 -7.392 -7.765) 11.853 10.765 ( -5.055 -7.392 7.765) 11.853 11.094 ( -5.303 -1.724 -7.557) 9.392 11.094 ( 5.303 -1.724 7.557) 9.392 11.487 ( -2.928 1.385 -3.541) 4.799 11.487 ( 2.928 1.385 3.541) 4.799 11.789 ( -2.471 -1.808 -3.140) 4.386 11.789 ( 2.471 -1.808 3.140) 4.386 11.985 ( -0.310 -0.938 -7.527) 7.592 11.985 ( 0.310 -0.938 7.527) 7.592 12.428 ( -2.218 -1.417 -6.594) 7.100 12.428 ( 2.218 -1.417 6.594) 7.100 13.378 ( -3.260 1.895 -6.575) 7.579 13.378 ( 3.260 1.895 6.575) 7.579 14.066 ( -1.396 -0.356 -7.447) 7.585 14.066 ( 1.396 -0.356 7.447) 7.585 14.328 ( -5.566 -7.009 -3.201) 9.505 14.328 ( 5.566 -7.009 3.201) 9.505 14.605 ( -10.693 6.635 -9.779) 15.937 14.605 ( 10.693 6.635 9.779) 15.937 15.373 ( -7.916 -0.454 -0.801) 7.969 15.373 ( 7.916 -0.454 0.801) 7.969 15.639 ( -2.433 0.576 -3.893) 4.627 15.639 ( 2.433 0.576 3.893) 4.627 16.088 ( -3.362 0.208 -3.879) 5.137 16.088 ( 3.362 0.208 3.879) 5.137 16.332 ( -2.351 0.541 -4.489) 5.096 16.332 ( 2.351 0.541 4.489) 5.096 25.036 ( 0.625 0.750 -1.150) 1.509 25.036 ( -0.625 0.750 1.150) 1.509 25.218 ( 0.954 -0.180 -1.681) 1.941 25.218 ( -0.954 -0.180 1.681) 1.941 25.514 ( -5.543 -0.367 -4.682) 7.265 25.514 ( 5.543 -0.367 4.682) 7.265 25.725 ( -4.256 -2.139 -1.195) 4.911 25.725 ( 4.256 -2.139 1.195) 4.911 27.122 ( 0.593 0.217 -4.075) 4.124 27.122 ( -0.593 0.217 4.075) 4.124 27.670 ( 1.249 -8.050 -11.097) 13.766 27.670 ( -1.249 -8.050 11.097) 13.766 29.159 ( 2.592 -3.343 -4.180) 5.947 29.159 ( -2.592 -3.343 4.180) 5.947 29.720 ( 0.908 11.227 -1.850) 11.415 29.720 ( -0.908 11.227 1.850) 11.415 ======================= Grid point 185 (94/104) ======================= q-point: ( 0.17 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.091 ( -2.344 -7.024 -18.144) 19.596 2.254 ( -11.467 -0.635 10.674) 15.679 2.361 ( 5.237 1.145 -16.121) 16.989 2.502 ( 3.001 -8.173 11.859) 14.712 2.588 ( -7.652 -8.285 4.548) 12.160 2.678 ( -3.642 -4.652 -0.115) 5.909 2.840 ( -2.394 -0.527 1.369) 2.808 2.936 ( -2.349 -1.025 -3.900) 4.666 3.071 ( 0.987 -1.101 -6.153) 6.329 3.115 ( 0.167 -2.397 1.157) 2.666 3.223 ( -3.637 -6.280 2.618) 7.715 3.382 ( -2.136 2.919 -5.298) 6.415 3.650 ( -9.089 -2.084 -3.167) 9.848 3.852 ( -4.276 -2.569 -0.650) 5.030 3.956 ( 3.879 2.407 2.256) 5.092 4.159 ( -5.212 7.735 -9.145) 13.062 4.243 ( 5.995 -5.983 5.437) 10.065 4.453 ( 5.292 1.210 -15.906) 16.807 4.580 ( 3.340 4.674 1.281) 5.886 4.674 ( 1.643 1.460 13.660) 13.836 4.758 ( -4.005 3.556 2.938) 6.108 4.867 ( 0.621 3.237 -4.597) 5.656 4.937 ( -2.767 10.569 3.069) 11.348 5.011 ( 0.317 9.510 3.036) 9.988 5.411 ( 3.262 2.213 -1.044) 4.078 5.558 ( 5.266 0.911 8.861) 10.348 5.713 ( -0.666 4.078 3.401) 5.352 5.808 ( 3.527 5.217 1.651) 6.510 6.011 ( -4.980 -1.557 0.924) 5.299 6.094 ( 0.770 -4.895 -1.496) 5.176 6.224 ( -1.727 -4.366 -5.437) 7.184 6.376 ( -0.110 -4.217 5.333) 6.799 6.495 ( 6.721 -3.180 2.180) 7.749 6.558 ( 10.743 -3.108 -2.023) 11.365 6.779 ( -8.905 5.170 2.022) 10.494 7.000 ( 2.017 -1.497 -1.512) 2.932 7.244 ( 2.299 3.718 -3.128) 5.376 7.375 ( 4.957 0.914 -3.112) 5.924 7.533 ( -0.392 2.745 2.468) 3.713 7.560 ( 7.407 2.528 1.400) 7.951 7.731 ( 2.628 4.052 1.475) 5.050 8.028 ( -3.357 4.564 -5.179) 7.676 8.061 ( 11.506 1.264 4.104) 12.281 8.168 ( -4.326 1.468 4.055) 6.108 8.341 ( -11.995 -0.918 6.690) 13.766 8.508 ( -6.632 -4.941 -0.583) 8.291 8.754 ( -2.015 -0.549 1.481) 2.560 8.845 ( 2.079 -2.353 -6.799) 7.489 9.951 ( -0.227 1.418 2.339) 2.745 10.027 ( 2.605 -0.702 -2.652) 3.783 10.258 ( 0.998 2.759 3.645) 4.679 10.327 ( 4.167 -0.756 -4.448) 6.142 10.715 ( -4.241 -3.783 7.281) 9.237 10.832 ( 6.702 -8.667 -7.945) 13.533 10.933 ( -7.396 -1.797 -4.178) 8.683 11.182 ( -2.729 -1.942 6.115) 6.972 11.301 ( -6.411 1.440 -7.002) 9.602 11.407 ( -6.371 2.143 -9.596) 11.716 11.815 ( -4.159 0.240 -8.981) 9.900 11.892 ( 3.482 -0.725 7.812) 8.584 11.962 ( -0.293 -2.773 -2.713) 3.890 12.025 ( 7.818 0.364 11.418) 13.843 12.472 ( 7.387 1.635 4.170) 8.639 12.561 ( 4.962 -5.587 11.022) 13.316 13.308 ( 0.076 -1.389 -7.432) 7.561 13.507 ( 5.971 2.479 5.100) 8.235 13.876 ( -10.458 -1.594 -5.537) 11.941 14.029 ( -7.194 2.769 -3.403) 8.426 14.155 ( -13.146 -2.434 -1.007) 13.407 14.386 ( -1.761 -1.835 -4.298) 4.995 14.526 ( 6.709 -5.459 3.569) 9.357 14.854 ( 8.516 10.938 6.846) 15.461 15.197 ( -8.503 -7.758 -2.855) 11.859 15.481 ( 4.078 3.895 0.207) 5.643 15.552 ( -3.796 3.294 -2.846) 5.776 15.700 ( 0.918 -1.198 0.142) 1.516 15.952 ( -5.043 1.027 -5.916) 7.841 16.091 ( -2.498 0.541 -0.294) 2.572 16.371 ( 6.395 0.163 -0.185) 6.399 16.471 ( 6.729 0.159 5.972) 8.999 25.051 ( 1.300 0.747 1.190) 1.914 25.068 ( 3.355 0.470 -0.603) 3.441 25.194 ( -0.563 0.153 1.874) 1.963 25.261 ( 2.557 0.448 -1.850) 3.188 25.381 ( -5.782 0.166 -2.504) 6.303 25.556 ( -3.751 -0.662 1.792) 4.210 25.741 ( 5.250 -5.304 3.807) 8.378 25.850 ( 7.429 -2.107 2.248) 8.042 27.107 ( 0.026 -0.689 -1.897) 2.018 27.147 ( 0.572 1.500 3.969) 4.282 27.519 ( -8.354 -6.963 -6.623) 12.733 27.668 ( -5.111 -3.276 -1.110) 6.172 29.117 ( -0.989 -5.993 2.774) 6.678 29.224 ( 3.173 -4.955 -1.759) 6.141 29.719 ( -0.048 11.487 0.900) 11.523 29.729 ( 1.687 11.352 -3.170) 11.906 ======================= Grid point 186 (95/104) ======================= q-point: ( 0.33 0.14 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( 5.454 -4.571 -16.367) 17.848 2.109 ( -7.926 -0.343 10.989) 13.554 2.275 ( -3.487 6.220 -16.603) 18.070 2.466 ( -13.665 -1.911 3.266) 14.179 2.572 ( 1.523 -2.633 11.512) 11.907 2.717 ( 5.505 -5.170 0.779) 7.592 2.792 ( -1.646 -2.517 4.163) 5.136 2.866 ( -2.077 -4.617 -9.554) 10.812 2.999 ( -4.821 0.543 -2.460) 5.439 3.039 ( -3.596 0.486 -2.246) 4.267 3.247 ( -5.034 5.480 -3.120) 8.068 3.276 ( -0.539 -6.482 3.158) 7.230 3.513 ( -0.991 -2.959 -5.297) 6.148 3.720 ( -8.486 -6.190 -1.453) 10.603 4.055 ( 2.902 3.766 7.807) 9.141 4.126 ( 4.541 10.922 -5.674) 13.119 4.318 ( 5.844 0.774 -11.380) 12.816 4.534 ( 7.391 -3.225 -4.041) 9.019 4.572 ( -9.026 3.044 13.248) 16.317 4.721 ( 1.244 1.563 6.152) 6.468 4.772 ( 0.633 1.238 0.162) 1.400 4.815 ( -0.625 1.514 -7.995) 8.161 4.918 ( -2.222 10.224 5.445) 11.795 5.004 ( -2.079 10.235 -0.844) 10.478 5.495 ( 4.967 -0.832 1.980) 5.412 5.638 ( -0.962 -1.892 3.696) 4.262 5.757 ( 1.984 3.774 6.413) 7.701 5.885 ( 2.412 7.920 1.389) 8.395 5.951 ( -0.719 -3.648 -0.260) 3.727 6.130 ( 0.333 -4.816 -7.121) 8.604 6.160 ( 1.560 -3.945 0.980) 4.354 6.346 ( -4.937 -4.478 3.207) 7.397 6.610 ( 3.918 0.699 -0.892) 4.079 6.697 ( 2.058 3.514 6.720) 7.858 6.800 ( 9.824 -6.518 -1.936) 11.947 7.016 ( -0.014 -1.546 -1.203) 1.959 7.289 ( 5.739 2.459 1.035) 6.329 7.485 ( 7.326 -2.826 -0.069) 7.852 7.553 ( 1.297 -0.259 2.736) 3.038 7.642 ( -0.110 -1.967 -1.307) 2.364 7.742 ( -3.189 0.607 -6.431) 7.204 7.961 ( -6.396 2.723 -5.681) 8.978 8.074 ( 0.371 2.067 11.876) 12.060 8.247 ( 5.265 -1.769 1.994) 5.902 8.294 ( -1.062 1.494 8.639) 8.832 8.388 ( -3.147 -1.203 -3.177) 4.631 8.675 ( -4.964 3.224 -3.405) 6.828 8.794 ( -3.920 1.233 -3.305) 5.273 9.986 ( 2.129 1.084 2.142) 3.209 10.048 ( 1.276 -1.317 -2.086) 2.778 10.312 ( 1.458 1.100 4.092) 4.481 10.362 ( 3.025 -1.809 -5.966) 6.930 10.695 ( -2.105 -1.682 5.536) 6.156 10.801 ( -5.513 0.605 -0.350) 5.557 10.926 ( 8.000 -6.418 -5.501) 11.638 11.086 ( -3.328 -0.539 -5.114) 6.126 11.212 ( -7.231 -1.546 2.877) 7.934 11.238 ( -5.305 1.181 -5.038) 7.410 11.695 ( -1.545 1.551 -6.239) 6.612 11.817 ( -6.198 2.829 -3.814) 7.807 12.106 ( 9.200 1.692 5.026) 10.619 12.220 ( 3.656 -0.943 10.074) 10.758 12.666 ( 9.284 -1.319 3.948) 10.174 12.711 ( 4.151 -6.826 10.748) 13.392 13.282 ( 2.423 -2.721 -9.371) 10.054 13.506 ( -10.240 -3.241 -1.842) 10.897 13.780 ( 2.155 0.538 0.326) 2.245 13.842 ( -7.153 1.430 -6.628) 9.856 13.966 ( -6.118 4.936 8.132) 11.311 14.294 ( -5.006 -2.799 -8.521) 10.272 14.666 ( 4.515 -5.956 5.954) 9.555 14.882 ( -5.133 0.178 -3.993) 6.506 15.173 ( 5.229 0.648 4.427) 6.882 15.441 ( -4.866 6.756 -5.085) 9.756 15.557 ( 2.880 3.240 1.531) 4.597 15.669 ( -2.710 0.606 -1.226) 3.036 15.899 ( 1.558 -0.597 -2.760) 3.225 16.027 ( -4.035 0.353 -0.739) 4.118 16.502 ( 7.085 0.189 -0.004) 7.088 16.588 ( 2.374 0.097 3.904) 4.570 25.083 ( 1.627 1.122 0.526) 2.045 25.132 ( 2.482 0.227 -0.190) 2.500 25.221 ( 1.570 0.212 3.050) 3.437 25.269 ( -0.001 1.968 -0.567) 2.048 25.311 ( 0.267 -1.078 -3.332) 3.512 25.467 ( -6.126 -0.532 0.330) 6.158 25.879 ( 6.102 -8.109 5.127) 11.370 25.978 ( 4.135 -5.486 1.874) 7.121 27.110 ( 1.195 -0.423 0.760) 1.478 27.200 ( 2.536 3.015 5.715) 6.941 27.327 ( -7.509 -2.219 -7.666) 10.958 27.504 ( -9.302 2.293 -5.583) 11.089 29.151 ( 2.488 -9.490 2.111) 10.035 29.241 ( -0.384 -7.912 -0.772) 7.959 29.728 ( 0.098 11.242 1.634) 11.360 29.740 ( 1.664 11.779 -3.918) 12.524 ======================= Grid point 187 (96/104) ======================= q-point: (-0.50 0.14 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.075 ( -0.284 1.375 -11.202) 11.290 2.075 ( 0.284 1.375 11.202) 11.290 2.220 ( -1.888 3.181 -9.390) 10.093 2.220 ( 1.888 3.181 9.390) 10.093 2.708 ( -3.679 -5.321 -13.615) 15.073 2.708 ( 3.679 -5.321 13.615) 15.073 2.811 ( 3.853 -3.723 -6.512) 8.433 2.811 ( -3.853 -3.723 6.512) 8.433 2.953 ( 0.702 4.459 -6.772) 8.139 2.953 ( -0.702 4.459 6.772) 8.139 3.231 ( -0.446 -0.388 -2.518) 2.586 3.231 ( 0.446 -0.388 2.518) 2.586 3.569 ( -2.871 -8.000 -2.721) 8.924 3.569 ( 2.871 -8.000 2.721) 8.924 4.134 ( 0.134 7.745 -8.013) 11.145 4.134 ( -0.134 7.745 8.013) 11.145 4.416 ( 11.025 2.678 -15.337) 19.077 4.416 ( -11.025 2.678 15.337) 19.077 4.681 ( -4.184 -0.240 -7.747) 8.808 4.681 ( 4.184 -0.240 7.747) 8.808 4.786 ( 0.223 0.341 -7.358) 7.369 4.786 ( -0.223 0.341 7.358) 7.369 4.946 ( -0.574 10.668 -6.875) 12.704 4.946 ( 0.574 10.668 6.875) 12.704 5.591 ( -3.872 -2.153 -1.535) 4.689 5.591 ( 3.872 -2.153 1.535) 4.689 5.842 ( -0.299 4.416 -8.496) 9.580 5.842 ( 0.299 4.416 8.496) 9.580 6.030 ( -4.634 -2.017 -3.647) 6.233 6.030 ( 4.634 -2.017 3.647) 6.233 6.255 ( -0.001 -6.300 -2.501) 6.778 6.255 ( 0.001 -6.300 2.501) 6.778 6.691 ( 4.392 3.886 -4.097) 7.153 6.691 ( -4.392 3.886 4.097) 7.153 6.956 ( -4.998 -5.919 -0.725) 7.781 6.956 ( 4.998 -5.919 0.725) 7.781 7.454 ( -7.764 -0.741 -5.141) 9.341 7.454 ( 7.764 -0.741 5.141) 9.341 7.613 ( 1.388 -0.227 -5.555) 5.731 7.613 ( -1.388 -0.227 5.555) 5.731 7.758 ( -9.900 -4.313 -3.153) 11.250 7.758 ( 9.900 -4.313 3.153) 11.250 8.233 ( -4.588 -1.209 -11.131) 12.100 8.233 ( 4.588 -1.209 11.131) 12.100 8.329 ( 0.302 3.797 -5.582) 6.758 8.329 ( -0.302 3.797 5.582) 6.758 8.676 ( -5.138 4.791 -2.694) 7.523 8.676 ( 5.138 4.791 2.694) 7.523 10.035 ( -1.305 -0.734 -2.012) 2.508 10.035 ( 1.305 -0.734 2.012) 2.508 10.354 ( 0.417 -1.260 -5.772) 5.923 10.354 ( -0.417 -1.260 5.772) 5.923 10.722 ( -2.858 0.384 -0.843) 3.004 10.722 ( 2.858 0.384 0.843) 3.004 11.026 ( 0.056 -2.665 -8.210) 8.632 11.026 ( -0.056 -2.665 8.210) 8.632 11.146 ( 3.205 -1.010 -7.193) 7.939 11.146 ( -3.205 -1.010 7.193) 7.939 11.705 ( 0.545 3.902 -3.859) 5.515 11.705 ( -0.545 3.902 3.859) 5.515 12.250 ( 2.880 0.597 -3.694) 4.721 12.250 ( -2.880 0.597 3.694) 4.721 12.788 ( 2.553 -5.246 -4.256) 7.222 12.788 ( -2.553 -5.246 4.256) 7.222 13.317 ( 7.371 -2.358 -5.669) 9.593 13.317 ( -7.371 -2.358 5.669) 9.593 13.758 ( 0.921 0.811 -1.762) 2.147 13.758 ( -0.921 0.811 1.762) 2.147 14.102 ( -8.392 1.258 -12.150) 14.820 14.102 ( 8.392 1.258 12.150) 14.820 14.768 ( -3.484 -5.748 -6.071) 9.057 14.768 ( 3.484 -5.748 6.071) 9.057 15.311 ( -5.726 6.430 -5.790) 10.376 15.311 ( 5.726 6.430 5.790) 10.376 15.615 ( -2.254 2.411 -1.268) 3.536 15.615 ( 2.254 2.411 1.268) 3.536 15.947 ( -1.708 -0.647 -1.435) 2.323 15.947 ( 1.708 -0.647 1.435) 2.323 16.596 ( 3.116 0.191 -1.566) 3.492 16.596 ( -3.116 0.191 1.566) 3.492 25.121 ( -1.990 1.356 -0.618) 2.486 25.121 ( 1.990 1.356 0.618) 2.486 25.268 ( -0.984 -0.584 -2.839) 3.061 25.268 ( 0.984 -0.584 2.839) 3.061 25.353 ( -6.209 0.287 1.064) 6.306 25.353 ( 6.209 0.287 -1.064) 6.306 25.990 ( 1.732 -8.684 -9.071) 12.676 25.990 ( -1.732 -8.684 9.071) 12.676 27.177 ( -4.346 0.412 -5.468) 6.997 27.177 ( 4.346 0.412 5.468) 6.997 27.317 ( -6.397 4.012 -6.796) 10.159 27.317 ( 6.397 4.012 6.796) 10.159 29.208 ( 0.926 -9.886 -5.653) 11.426 29.208 ( -0.926 -9.886 5.653) 11.426 29.739 ( 0.843 11.438 -3.768) 12.072 29.739 ( -0.843 11.438 3.768) 12.072 ======================= Grid point 191 (97/104) ======================= q-point: ( 0.00 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.072 ( -2.116 -10.122 -19.545) 22.112 2.072 ( 2.116 -10.122 19.545) 22.112 2.334 ( 0.701 -10.584 -7.832) 13.185 2.334 ( -0.701 -10.584 7.832) 13.185 2.474 ( 6.087 -3.184 -8.788) 11.154 2.474 ( -6.087 -3.184 8.788) 11.154 2.865 ( 6.846 -3.374 -4.382) 8.801 2.865 ( -6.846 -3.374 4.382) 8.801 3.130 ( 2.767 5.927 -5.413) 8.491 3.130 ( -2.767 5.927 5.413) 8.491 3.365 ( -6.261 1.173 -8.908) 10.951 3.365 ( 6.261 1.173 8.908) 10.951 3.664 ( -1.000 -8.219 -3.001) 8.807 3.664 ( 1.000 -8.219 3.001) 8.807 3.983 ( 0.720 -2.355 -5.926) 6.417 3.983 ( -0.720 -2.355 5.926) 6.417 4.543 ( 1.248 7.803 -4.277) 8.986 4.543 ( -1.248 7.803 4.277) 8.986 4.682 ( 1.475 9.827 -14.117) 17.264 4.682 ( -1.475 9.827 14.117) 17.264 4.921 ( -2.423 4.166 -2.305) 5.343 4.921 ( 2.423 4.166 2.305) 5.343 5.165 ( -0.239 7.302 -9.278) 11.810 5.165 ( 0.239 7.302 9.278) 11.810 5.447 ( -1.141 -1.859 -3.800) 4.382 5.447 ( 1.141 -1.859 3.800) 4.382 5.743 ( -4.068 -4.692 -4.244) 7.522 5.743 ( 4.068 -4.692 4.244) 7.522 6.076 ( 1.407 0.905 -3.058) 3.486 6.076 ( -1.407 0.905 3.058) 3.486 6.175 ( -2.559 -1.341 -4.783) 5.588 6.175 ( 2.559 -1.341 4.783) 5.588 6.442 ( -3.919 -0.407 -2.964) 4.931 6.442 ( 3.919 -0.407 2.964) 4.931 6.949 ( -0.785 -0.286 -1.119) 1.397 6.949 ( 0.785 -0.286 1.120) 1.397 7.403 ( -7.601 9.230 -7.418) 14.071 7.403 ( 7.601 9.230 7.418) 14.071 7.616 ( -1.604 5.486 -2.595) 6.278 7.616 ( 1.604 5.486 2.595) 6.278 7.825 ( -2.564 0.344 -5.867) 6.412 7.825 ( 2.564 0.344 5.867) 6.412 8.232 ( -1.939 4.127 -3.049) 5.485 8.232 ( 1.939 4.127 3.049) 5.485 8.475 ( -6.895 -3.975 -2.316) 8.289 8.475 ( 6.895 -3.975 2.316) 8.289 8.702 ( -1.700 -3.932 -3.722) 5.675 8.702 ( 1.700 -3.932 3.722) 5.675 9.999 ( 2.486 2.283 -3.075) 4.566 9.999 ( -2.486 2.283 3.075) 4.566 10.299 ( 1.078 0.883 -4.499) 4.710 10.299 ( -1.078 0.883 4.499) 4.710 10.632 ( 2.335 -5.022 -10.659) 12.012 10.632 ( -2.335 -5.022 10.659) 12.012 10.985 ( -5.844 -8.821 -7.850) 13.176 10.985 ( 5.844 -8.821 7.850) 13.176 11.527 ( -3.345 2.398 -5.388) 6.780 11.527 ( 3.345 2.398 5.388) 6.780 11.749 ( -3.832 -1.936 0.059) 4.294 11.749 ( 3.832 -1.936 -0.059) 4.294 11.972 ( 1.719 0.921 -7.442) 7.694 11.972 ( -1.719 0.921 7.442) 7.694 12.383 ( 1.047 -4.313 -4.006) 5.979 12.383 ( -1.047 -4.313 4.006) 5.979 13.460 ( -5.534 6.918 -6.004) 10.702 13.460 ( 5.534 6.918 6.004) 10.702 14.050 ( -6.000 -2.175 -9.975) 11.842 14.050 ( 6.000 -2.175 9.975) 11.842 14.174 ( -6.581 -7.544 -0.039) 10.011 14.174 ( 6.581 -7.544 0.039) 10.011 14.743 ( -12.817 6.997 -12.028) 18.918 14.743 ( 12.817 6.997 12.028) 18.918 15.350 ( -11.979 -1.936 -4.889) 13.082 15.350 ( 11.979 -1.936 4.889) 13.082 15.645 ( 0.886 0.080 -3.360) 3.475 15.645 ( -0.886 0.080 3.360) 3.475 16.094 ( -2.679 0.412 -2.772) 3.877 16.094 ( 2.679 0.412 2.772) 3.877 16.344 ( -2.031 0.629 -3.453) 4.056 16.344 ( 2.031 0.629 3.453) 4.056 25.057 ( 0.351 1.323 -1.110) 1.762 25.057 ( -0.351 1.323 1.110) 1.762 25.218 ( 0.239 0.239 -1.555) 1.592 25.218 ( -0.239 0.239 1.555) 1.592 25.505 ( -4.085 -0.444 -3.542) 5.425 25.505 ( 4.085 -0.444 3.542) 5.425 25.665 ( -4.124 -3.677 -2.153) 5.930 25.665 ( 4.124 -3.677 2.153) 5.930 27.129 ( -1.101 0.447 -2.827) 3.067 27.129 ( 1.101 0.447 2.827) 3.067 27.502 ( -1.296 -7.779 -7.296) 10.743 27.502 ( 1.296 -7.779 7.296) 10.743 29.110 ( 0.263 -1.552 -1.115) 1.929 29.110 ( -0.263 -1.552 1.115) 1.929 29.936 ( -0.198 9.339 -0.939) 9.388 29.936 ( 0.198 9.339 0.939) 9.388 ======================= Grid point 193 (98/104) ======================= q-point: ( 0.17 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.933 ( 0.961 -7.219 -19.326) 20.652 2.177 ( -4.456 -7.902 11.562) 14.696 2.307 ( -2.507 -14.305 6.713) 16.000 2.374 ( -1.938 -1.419 1.996) 3.123 2.429 ( 5.929 -8.216 4.447) 11.064 2.499 ( 0.977 0.145 -7.756) 7.819 2.808 ( -1.655 -3.630 3.066) 5.032 2.973 ( 0.769 -2.903 0.972) 3.156 3.053 ( -3.752 2.498 -1.196) 4.664 3.104 ( -2.075 3.281 -8.287) 9.151 3.181 ( -6.540 2.463 -1.571) 7.163 3.455 ( -1.846 3.703 6.343) 7.573 3.624 ( -2.122 -1.198 -1.201) 2.716 3.729 ( -0.343 -9.472 4.930) 10.684 3.994 ( 2.085 1.554 1.663) 3.086 4.089 ( 6.414 -4.777 11.158) 13.729 4.450 ( -1.458 16.051 -16.816) 23.293 4.515 ( 3.722 5.015 -13.166) 14.572 4.691 ( 2.623 5.611 -4.859) 7.873 4.743 ( -0.564 6.314 9.968) 11.813 4.830 ( -5.234 3.077 2.127) 6.434 4.946 ( -1.434 3.991 -2.491) 4.918 5.080 ( -4.145 4.744 1.141) 6.402 5.220 ( -0.351 8.894 5.519) 10.473 5.425 ( 0.547 -2.809 -1.718) 3.338 5.515 ( 2.303 -6.232 1.634) 6.842 5.693 ( 1.257 -4.702 -1.479) 5.086 5.834 ( 2.795 -1.822 3.982) 5.195 6.048 ( -3.186 1.963 3.607) 5.198 6.090 ( -0.095 5.767 3.286) 6.638 6.156 ( 3.098 -2.862 -4.055) 5.850 6.264 ( 2.054 -5.624 -2.807) 6.613 6.394 ( 1.821 -2.904 0.237) 3.436 6.548 ( 7.026 -0.408 1.266) 7.151 6.882 ( -6.012 4.144 4.433) 8.542 7.000 ( 1.650 0.766 1.667) 2.467 7.296 ( 2.716 4.828 -6.821) 8.787 7.459 ( -4.266 5.067 -5.647) 8.704 7.588 ( -3.141 2.341 -0.543) 3.954 7.622 ( 5.093 4.221 1.413) 6.764 7.838 ( 2.671 4.668 0.590) 5.411 7.963 ( 3.869 -4.221 4.081) 7.031 8.154 ( -3.502 0.876 -2.009) 4.131 8.221 ( -5.919 2.070 -2.584) 6.782 8.322 ( -5.467 -0.155 7.517) 9.296 8.436 ( -4.040 -0.549 -4.527) 6.092 8.718 ( 2.745 -2.814 4.332) 5.850 8.792 ( 2.260 -2.711 -0.763) 3.611 9.999 ( 0.244 3.439 3.507) 4.918 10.029 ( 2.074 1.674 -2.326) 3.537 10.298 ( 2.478 -2.018 -5.262) 6.156 10.335 ( 1.048 3.892 3.073) 5.069 10.611 ( 0.905 -8.756 -4.551) 9.909 10.684 ( 2.759 -1.639 5.940) 6.752 10.869 ( -2.293 -5.261 -4.308) 7.176 11.119 ( 1.529 -5.265 9.184) 10.696 11.319 ( -10.456 1.364 -7.932) 13.194 11.462 ( -7.020 2.260 -7.037) 10.194 11.698 ( -2.918 -7.151 -2.017) 7.982 11.907 ( 7.690 -1.851 3.759) 8.757 11.955 ( 2.872 4.263 -6.138) 8.006 12.062 ( 5.171 2.725 9.899) 11.496 12.433 ( 3.117 -6.677 9.194) 11.782 12.470 ( 5.138 -3.642 6.420) 8.993 13.326 ( -3.827 3.746 -8.282) 9.863 13.577 ( 2.016 4.938 1.356) 5.504 13.836 ( -7.689 -2.647 -6.564) 10.451 14.045 ( -8.392 -3.489 -2.850) 9.525 14.107 ( -2.551 0.837 4.873) 5.563 14.352 ( 6.980 -5.289 3.898) 9.586 14.465 ( -6.833 2.887 -8.960) 11.632 15.004 ( -2.298 -7.817 0.818) 8.189 15.097 ( -0.226 9.398 -0.313) 9.406 15.536 ( 6.136 0.707 1.585) 6.377 15.597 ( -3.065 1.339 1.715) 3.759 15.682 ( 0.716 -0.555 0.866) 1.254 15.982 ( -5.100 1.990 -4.429) 7.042 16.094 ( -2.158 -0.386 -1.290) 2.544 16.384 ( 6.347 1.178 -0.470) 6.473 16.469 ( 6.802 -0.532 4.066) 7.942 25.069 ( 1.525 1.003 0.902) 2.036 25.085 ( 2.363 1.071 -0.364) 2.620 25.204 ( 0.068 0.854 1.270) 1.532 25.261 ( 2.805 -0.444 -0.808) 2.953 25.399 ( -5.052 1.771 -2.222) 5.796 25.544 ( -3.437 -0.277 0.969) 3.582 25.632 ( 2.977 -5.387 1.258) 6.282 25.764 ( 4.833 -6.026 0.658) 7.752 27.101 ( -0.454 0.422 -0.410) 0.743 27.179 ( 2.227 1.456 3.892) 4.715 27.404 ( -3.564 -4.369 -6.583) 8.667 27.551 ( -0.767 -7.245 2.680) 7.763 29.049 ( -3.543 -1.232 1.483) 4.034 29.136 ( -0.060 -3.664 -0.544) 3.705 29.923 ( 0.067 8.957 -1.499) 9.081 29.949 ( 0.916 9.033 -1.262) 9.167 ======================= Grid point 194 (99/104) ======================= q-point: ( 0.33 0.29 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 8.472 -4.700 -15.307) 18.115 2.101 ( -7.155 -2.075 11.271) 13.511 2.313 ( -5.601 -9.766 12.144) 16.560 2.409 ( -1.868 5.583 -11.521) 12.938 2.420 ( 3.519 -9.986 1.782) 10.736 2.610 ( 8.853 -3.023 4.745) 10.490 2.761 ( -5.630 -2.489 -7.579) 9.764 2.862 ( -5.799 3.765 4.712) 8.366 3.016 ( -1.438 -1.195 -4.745) 5.101 3.057 ( -2.688 -2.445 3.360) 4.949 3.155 ( 4.352 2.354 1.342) 5.127 3.426 ( -3.373 9.844 3.994) 11.146 3.543 ( -4.178 4.435 -7.131) 9.379 3.621 ( -10.821 -4.089 -1.699) 11.692 4.105 ( 6.027 1.393 8.566) 10.566 4.266 ( 4.440 -0.190 5.475) 7.052 4.409 ( 6.636 11.114 -12.622) 18.080 4.536 ( 7.227 3.376 -13.049) 15.293 4.648 ( -6.646 4.465 6.371) 10.232 4.759 ( -2.659 2.910 7.936) 8.861 4.811 ( 1.274 1.984 -2.158) 3.196 4.870 ( -3.204 3.623 -5.942) 7.662 5.048 ( -1.608 3.485 7.394) 8.331 5.206 ( -2.878 7.429 -1.166) 8.052 5.438 ( 1.717 -5.590 -0.027) 5.848 5.525 ( -0.945 -9.474 -1.338) 9.614 5.749 ( 4.041 -4.412 1.508) 6.170 5.883 ( -0.356 -3.454 0.890) 3.585 6.023 ( -1.779 4.433 6.136) 7.776 6.117 ( 2.136 1.679 -4.407) 5.177 6.136 ( -1.228 3.262 -0.746) 3.564 6.256 ( -2.303 -2.972 -0.009) 3.760 6.513 ( 9.920 -6.952 -0.213) 12.115 6.678 ( 5.158 -3.889 0.629) 6.490 6.819 ( -2.444 5.328 3.959) 7.074 7.007 ( -2.930 0.358 0.235) 2.961 7.383 ( 1.797 5.446 -2.828) 6.394 7.410 ( 9.047 -2.868 0.338) 9.497 7.541 ( -2.451 -0.983 1.376) 2.978 7.626 ( -3.067 -0.121 -1.269) 3.321 7.779 ( -5.053 2.273 -10.099) 11.519 7.952 ( -11.505 -2.336 -7.461) 13.910 8.055 ( 2.107 -2.521 10.123) 10.643 8.203 ( -0.202 -3.516 1.020) 3.667 8.338 ( 3.725 4.335 8.176) 9.976 8.446 ( 2.543 3.944 -1.034) 4.805 8.723 ( -0.781 2.014 -1.532) 2.648 8.815 ( -0.683 0.459 1.681) 1.872 10.024 ( 0.706 2.528 1.451) 2.999 10.050 ( 0.751 2.766 0.118) 2.869 10.304 ( 2.177 -2.326 -5.263) 6.152 10.357 ( -0.987 0.957 1.679) 2.170 10.626 ( 3.944 -5.641 -3.730) 7.829 10.754 ( -1.523 -3.649 5.176) 6.514 10.875 ( 5.113 0.533 -0.188) 5.144 11.083 ( -7.104 1.555 -1.742) 7.478 11.161 ( -4.806 -2.602 4.162) 6.869 11.283 ( -6.607 1.510 -7.770) 10.311 11.673 ( 2.606 -2.443 -1.589) 3.909 11.883 ( -3.504 1.510 -6.374) 7.428 12.117 ( 10.190 0.682 2.353) 10.480 12.226 ( 3.331 1.071 11.136) 11.672 12.563 ( 3.433 -7.345 11.408) 13.995 12.606 ( 5.649 -5.062 3.089) 8.190 13.240 ( 0.518 -0.608 -9.069) 9.104 13.442 ( -11.803 -3.139 -3.313) 12.655 13.802 ( 1.207 1.896 -0.976) 2.450 13.862 ( -6.937 0.836 -4.963) 8.570 14.081 ( -1.944 6.150 6.416) 9.098 14.279 ( -4.940 1.797 -6.376) 8.264 14.533 ( 4.877 -7.353 4.482) 9.897 14.770 ( -8.677 -9.478 -8.250) 15.270 15.285 ( 8.209 8.176 5.146) 12.677 15.532 ( -3.893 2.238 -1.641) 4.781 15.627 ( 2.491 2.912 2.968) 4.847 15.684 ( -0.799 0.805 1.100) 1.580 15.907 ( -0.230 1.691 -2.771) 3.254 16.028 ( -3.770 -0.316 -2.506) 4.538 16.511 ( 6.857 0.732 -0.244) 6.900 16.584 ( 2.942 -0.646 2.884) 4.170 25.109 ( 1.898 1.284 1.189) 2.582 25.134 ( 2.860 0.076 -0.215) 2.869 25.230 ( 1.368 0.545 1.725) 2.268 25.281 ( -1.144 -1.353 -1.756) 2.495 25.332 ( 0.562 3.870 -1.192) 4.088 25.462 ( -5.065 0.299 -0.349) 5.086 25.717 ( 3.734 -7.712 4.051) 9.478 25.822 ( 1.633 -9.095 -1.875) 9.429 27.118 ( 1.764 1.363 2.688) 3.491 27.259 ( 3.888 1.801 3.988) 5.853 27.301 ( -3.412 -0.053 -6.428) 7.278 27.498 ( -5.308 -2.591 -0.664) 5.944 29.022 ( -0.156 -3.510 1.459) 3.804 29.107 ( -2.521 -5.406 -0.519) 5.987 29.923 ( 0.735 8.314 -0.977) 8.403 29.950 ( 0.095 8.302 -1.670) 8.469 ======================= Grid point 195 (100/104) ======================= q-point: (-0.50 0.29 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.026 ( 9.974 -4.928 -11.866) 16.266 2.026 ( -9.974 -4.928 11.866) 16.266 2.300 ( 0.790 0.716 -11.933) 11.980 2.300 ( -0.790 0.716 11.933) 11.980 2.561 ( -7.999 -3.336 -5.740) 10.395 2.561 ( 7.999 -3.336 5.740) 10.395 2.783 ( -4.300 -0.586 -1.834) 4.712 2.783 ( 4.300 -0.586 1.834) 4.712 3.014 ( 2.870 -1.039 -5.852) 6.600 3.014 ( -2.870 -1.039 5.852) 6.600 3.316 ( -10.613 9.016 -2.800) 14.205 3.316 ( 10.613 9.016 2.800) 14.205 3.476 ( 2.959 0.163 -5.792) 6.506 3.476 ( -2.959 0.163 5.792) 6.506 4.255 ( -2.562 3.343 -9.342) 10.248 4.255 ( 2.562 3.343 9.342) 10.248 4.497 ( 5.027 5.382 -8.885) 11.540 4.497 ( -5.027 5.382 8.885) 11.540 4.697 ( -2.709 2.090 -9.162) 9.780 4.697 ( 2.709 2.090 9.162) 9.780 4.812 ( 0.694 2.005 -6.639) 6.970 4.812 ( -0.694 2.005 6.639) 6.970 5.117 ( -2.243 5.165 -8.276) 10.010 5.117 ( 2.243 5.165 8.276) 10.010 5.483 ( -0.912 -8.307 -3.460) 9.045 5.483 ( 0.912 -8.307 3.460) 9.045 5.833 ( -0.226 -4.531 -6.362) 7.814 5.833 ( 0.226 -4.531 6.362) 7.814 6.061 ( 0.746 0.937 -9.288) 9.365 6.061 ( -0.746 0.937 9.288) 9.365 6.191 ( 0.544 3.211 -4.873) 5.862 6.191 ( -0.544 3.211 4.873) 5.862 6.674 ( -0.233 -5.994 -3.407) 6.899 6.674 ( 0.233 -5.994 3.407) 6.899 6.889 ( -7.094 0.390 -2.775) 7.627 6.889 ( 7.094 0.390 2.775) 7.627 7.456 ( -4.523 0.825 -1.882) 4.968 7.456 ( 4.523 0.825 1.882) 4.968 7.604 ( -1.843 -1.681 -4.557) 5.195 7.604 ( 1.843 -1.681 4.557) 5.195 7.693 ( -9.091 -0.696 -1.392) 9.223 7.693 ( 9.091 -0.696 1.392) 9.223 8.171 ( -2.143 -3.396 -7.337) 8.364 8.171 ( 2.143 -3.396 7.337) 8.364 8.432 ( -0.556 4.431 -6.384) 7.791 8.432 ( 0.556 4.431 6.384) 7.791 8.763 ( -3.963 3.592 -1.406) 5.531 8.763 ( 3.963 3.592 1.406) 5.531 10.046 ( -0.027 2.494 -1.302) 2.814 10.046 ( 0.027 2.494 1.302) 2.814 10.328 ( 2.580 -1.593 -4.388) 5.334 10.328 ( -2.580 -1.593 4.388) 5.334 10.701 ( 4.712 -3.388 -6.709) 8.871 10.701 ( -4.712 -3.388 6.709) 8.871 10.975 ( 1.278 -0.208 -8.955) 9.048 10.975 ( -1.278 -0.208 8.955) 9.048 11.155 ( -1.654 1.133 -7.109) 7.386 11.155 ( 1.654 1.133 7.109) 7.386 11.764 ( -3.519 1.183 -5.038) 6.259 11.764 ( 3.519 1.183 5.038) 6.259 12.261 ( 5.122 0.586 -4.873) 7.094 12.261 ( -5.122 0.586 4.873) 7.094 12.657 ( -0.066 -7.222 -5.600) 9.140 12.657 ( 0.066 -7.222 5.600) 9.140 13.261 ( 4.017 -2.811 -5.560) 7.413 13.261 ( -4.017 -2.811 5.560) 7.413 13.785 ( 0.432 1.813 -1.091) 2.160 13.785 ( -0.432 1.813 1.091) 2.160 14.154 ( -4.218 4.144 -7.337) 9.423 14.154 ( 4.218 4.144 7.337) 9.423 14.629 ( -3.254 -7.988 -6.202) 10.624 14.629 ( 3.254 -7.988 6.202) 10.624 15.431 ( -5.622 4.932 -3.202) 8.135 15.431 ( 5.622 4.932 3.202) 8.135 15.670 ( 0.581 2.672 -3.131) 4.157 15.670 ( -0.581 2.672 3.131) 4.157 15.941 ( -3.621 0.318 -1.459) 3.917 15.941 ( 3.621 0.318 1.459) 3.917 16.598 ( 2.012 -0.046 -1.233) 2.361 16.598 ( -2.012 -0.046 1.233) 2.361 25.147 ( -1.162 1.049 -1.044) 1.882 25.147 ( 1.162 1.049 1.044) 1.882 25.255 ( -0.063 -0.668 -1.808) 1.929 25.255 ( 0.063 -0.668 1.808) 1.929 25.374 ( -1.946 2.123 -0.598) 2.942 25.374 ( 1.946 2.123 0.598) 2.942 25.798 ( -1.401 -9.681 -4.946) 10.961 25.798 ( 1.401 -9.681 4.946) 10.961 27.194 ( -3.390 1.254 -6.005) 7.009 27.194 ( 3.390 1.254 6.005) 7.009 27.378 ( -5.322 1.571 -4.263) 6.997 27.378 ( 5.322 1.571 4.263) 6.997 29.054 ( -0.713 -5.503 -2.820) 6.225 29.054 ( 0.713 -5.503 2.820) 6.225 29.936 ( 0.613 7.963 -2.790) 8.460 29.936 ( -0.613 7.963 2.790) 8.460 ======================= Grid point 199 (101/104) ======================= q-point: ( 0.00 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.951 ( -0.036 -0.854 -16.827) 16.849 1.951 ( 0.036 -0.854 16.827) 16.849 2.061 ( 0.977 -11.187 -10.517) 15.385 2.061 ( -0.977 -11.187 10.517) 15.385 2.547 ( 5.392 5.079 -10.114) 12.536 2.547 ( -5.392 5.079 10.114) 12.536 2.770 ( 4.867 -4.982 -6.243) 9.353 2.770 ( -4.867 -4.982 6.243) 9.353 3.233 ( 1.279 2.964 -5.055) 5.998 3.233 ( -1.279 2.964 5.055) 5.998 3.406 ( -5.057 3.323 -7.444) 9.593 3.406 ( 5.057 3.323 7.444) 9.593 3.521 ( 2.032 -5.836 -1.119) 6.280 3.521 ( -2.032 -5.836 1.119) 6.280 3.942 ( 0.893 -1.334 -1.717) 2.350 3.942 ( -0.893 -1.334 1.717) 2.350 4.692 ( -0.472 6.174 -8.543) 10.551 4.692 ( 0.472 6.174 8.543) 10.551 4.832 ( 0.279 2.143 -12.754) 12.936 4.832 ( -0.279 2.143 12.754) 12.936 5.028 ( -2.695 8.000 -2.215) 8.727 5.028 ( 2.695 8.000 2.215) 8.727 5.210 ( -2.781 -4.086 -3.875) 6.281 5.210 ( 2.781 -4.086 3.875) 6.281 5.390 ( 1.559 -1.051 -0.943) 2.103 5.390 ( -1.559 -1.051 0.943) 2.103 5.640 ( -2.827 -4.079 -3.502) 6.075 5.640 ( 2.827 -4.079 3.502) 6.075 6.096 ( 2.899 1.779 -3.982) 5.237 6.096 ( -2.899 1.779 3.982) 5.237 6.174 ( 2.580 -1.021 -4.735) 5.488 6.174 ( -2.580 -1.021 4.735) 5.488 6.438 ( -2.719 0.119 -1.565) 3.139 6.438 ( 2.719 0.119 1.565) 3.139 6.955 ( -1.131 0.572 -0.755) 1.475 6.955 ( 1.131 0.572 0.755) 1.475 7.560 ( -3.037 4.727 -3.858) 6.816 7.560 ( 3.037 4.727 3.858) 6.816 7.725 ( -1.310 5.592 -3.664) 6.812 7.725 ( 1.310 5.592 3.664) 6.812 7.816 ( -0.390 -1.943 -7.358) 7.621 7.816 ( 0.390 -1.943 7.358) 7.621 8.285 ( -3.229 1.998 -5.373) 6.579 8.285 ( 3.229 1.998 5.373) 6.579 8.367 ( -6.840 -5.610 -5.503) 10.418 8.367 ( 6.840 -5.610 5.503) 10.418 8.671 ( -1.697 0.050 -4.341) 4.661 8.671 ( 1.697 0.050 4.341) 4.661 10.070 ( 1.688 4.193 -3.608) 5.784 10.070 ( -1.688 4.193 3.608) 5.784 10.267 ( -0.015 -3.720 -0.610) 3.770 10.267 ( 0.015 -3.720 0.610) 3.770 10.614 ( -0.898 3.295 -6.579) 7.413 10.614 ( 0.898 3.295 6.579) 7.413 10.793 ( -3.333 -8.890 -6.925) 11.751 10.793 ( 3.333 -8.890 6.925) 11.751 11.568 ( -2.215 1.336 -3.671) 4.491 11.568 ( 2.215 1.336 3.671) 4.491 11.717 ( -4.183 -1.122 -2.603) 5.053 11.717 ( 4.183 -1.122 2.603) 5.053 12.057 ( 1.015 7.568 -8.942) 11.759 12.057 ( -1.015 7.568 8.942) 11.759 12.240 ( 0.822 -9.348 -6.941) 11.672 12.240 ( -0.822 -9.348 6.941) 11.672 13.646 ( -5.970 10.725 -5.269) 13.357 13.646 ( 5.970 10.725 5.269) 13.357 13.909 ( -6.413 -10.332 -6.383) 13.734 13.909 ( 6.413 -10.332 6.383) 13.734 14.106 ( 1.042 -0.522 -1.148) 1.636 14.106 ( -1.042 -0.522 1.148) 1.636 14.858 ( -7.304 3.699 -6.753) 10.612 14.858 ( 7.304 3.699 6.753) 10.612 15.305 ( -7.298 -1.864 -4.362) 8.704 15.305 ( 7.298 -1.864 4.362) 8.704 15.645 ( 0.467 -0.062 -1.186) 1.276 15.645 ( -0.467 -0.062 1.186) 1.276 16.101 ( -1.074 0.183 -0.967) 1.457 16.101 ( 1.074 0.183 0.967) 1.457 16.354 ( -0.756 0.277 -1.309) 1.536 16.354 ( 0.756 0.277 1.309) 1.536 25.080 ( 0.064 0.775 -0.480) 0.914 25.080 ( -0.064 0.775 0.480) 0.914 25.224 ( 0.090 0.279 -0.719) 0.776 25.224 ( -0.090 0.279 0.719) 0.776 25.502 ( -1.830 0.164 -1.959) 2.686 25.502 ( 1.830 0.164 1.959) 2.686 25.598 ( -1.695 -2.398 -1.659) 3.373 25.598 ( 1.695 -2.398 1.659) 3.373 27.138 ( -1.148 0.397 -1.155) 1.676 27.138 ( 1.148 0.397 1.155) 1.676 27.391 ( -0.858 -3.056 -2.920) 4.313 27.391 ( 0.858 -3.056 2.920) 4.313 29.092 ( -0.307 -0.383 -0.113) 0.504 29.092 ( 0.307 -0.383 0.113) 0.504 30.064 ( -0.290 3.363 -0.257) 3.385 30.064 ( 0.290 3.363 0.257) 3.385 ======================= Grid point 201 (102/104) ======================= q-point: ( 0.17 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 168 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.868 ( 1.957 1.716 -13.153) 13.408 2.008 ( -0.858 -11.325 -3.398) 11.854 2.082 ( 3.195 -2.026 13.225) 13.755 2.162 ( 4.067 -9.141 6.061) 11.698 2.510 ( -3.625 6.046 9.396) 11.746 2.561 ( 1.370 2.378 -4.880) 5.599 2.746 ( -0.590 -0.771 3.345) 3.483 2.836 ( 4.756 -7.759 -4.325) 10.076 3.130 ( -8.834 2.910 -3.483) 9.932 3.154 ( -6.458 0.851 -6.875) 9.470 3.308 ( -2.499 9.077 3.270) 9.966 3.491 ( 0.329 -5.451 4.980) 7.390 3.548 ( 1.159 -2.364 9.699) 10.050 3.588 ( 2.928 -2.511 1.665) 4.201 4.013 ( 4.418 0.476 4.980) 6.674 4.029 ( 7.022 -1.586 6.495) 9.696 4.638 ( 3.014 6.825 -13.583) 15.497 4.730 ( -0.764 4.351 -16.745) 17.318 4.751 ( 1.762 4.944 -1.013) 5.345 4.854 ( -4.673 -0.771 4.826) 6.762 4.930 ( -4.851 10.608 2.680) 11.968 5.050 ( -1.045 8.271 -3.264) 8.953 5.104 ( -5.305 -4.413 1.931) 7.165 5.250 ( -0.066 -8.917 -3.812) 9.698 5.356 ( -2.042 0.321 2.661) 3.370 5.379 ( -1.254 -4.139 -2.575) 5.034 5.642 ( 1.630 1.451 2.709) 3.479 5.746 ( 2.922 -6.840 5.527) 9.266 6.093 ( 0.215 1.294 6.235) 6.372 6.112 ( 1.802 -0.838 -0.114) 1.990 6.170 ( 1.465 1.946 -1.721) 2.982 6.194 ( 0.815 -1.600 -5.860) 6.129 6.414 ( 1.198 3.994 0.617) 4.215 6.503 ( 3.572 -4.054 0.681) 5.446 6.953 ( -0.731 3.189 3.384) 4.707 6.998 ( 1.263 -1.202 3.162) 3.610 7.457 ( -2.808 9.127 -9.081) 13.178 7.529 ( -4.081 1.574 -6.457) 7.799 7.617 ( -5.388 1.403 -5.404) 7.759 7.679 ( -2.858 -1.507 -0.888) 3.351 7.867 ( 2.764 0.002 -1.744) 3.268 7.900 ( 2.360 -2.071 7.271) 7.920 8.155 ( -7.082 0.688 -5.015) 8.705 8.198 ( -6.769 -2.921 -2.006) 7.640 8.363 ( 0.468 4.644 6.963) 8.383 8.447 ( 0.506 -1.788 1.065) 2.142 8.686 ( 4.503 0.903 3.550) 5.805 8.736 ( 2.435 -3.056 2.373) 4.572 10.080 ( 0.960 4.970 1.133) 5.187 10.109 ( 3.263 4.714 -1.070) 5.832 10.238 ( -0.562 -3.178 -0.535) 3.271 10.302 ( 1.397 -7.138 -0.980) 7.339 10.569 ( 0.241 4.526 -3.842) 5.942 10.662 ( -0.476 -3.003 3.034) 4.295 10.803 ( 6.169 2.322 2.552) 7.069 10.957 ( 7.322 -10.186 9.871) 15.962 11.366 ( -11.521 3.106 -7.054) 13.861 11.435 ( -10.479 -3.782 -5.071) 12.240 11.691 ( 0.556 5.445 -5.574) 7.812 11.818 ( 3.577 -6.179 -2.208) 7.473 12.082 ( 4.571 7.312 2.588) 9.003 12.147 ( 1.453 5.315 7.987) 9.703 12.279 ( 5.876 -7.220 7.381) 11.880 12.343 ( 5.545 -8.260 6.241) 11.744 13.455 ( -8.779 8.526 -7.536) 14.372 13.611 ( -10.930 -5.002 -6.218) 13.533 13.836 ( 2.923 5.558 -0.096) 6.280 13.963 ( -2.613 -5.078 -0.648) 5.748 14.139 ( 2.477 2.303 3.481) 4.853 14.221 ( 8.309 -6.177 3.831) 11.039 14.597 ( -12.184 9.071 -9.135) 17.725 14.799 ( -11.774 -10.871 -6.146) 17.163 15.310 ( 6.905 10.121 2.640) 12.533 15.476 ( 6.319 -6.217 1.953) 9.077 15.634 ( -1.034 1.971 4.341) 4.878 15.666 ( 0.105 -1.225 2.838) 3.093 16.028 ( -3.966 2.473 -2.985) 5.546 16.072 ( -2.692 -1.812 -2.009) 3.817 16.415 ( 6.450 1.826 -0.107) 6.704 16.449 ( 6.694 -1.441 1.637) 7.040 25.090 ( 1.304 0.973 0.432) 1.683 25.099 ( 1.559 0.180 0.222) 1.585 25.225 ( 0.538 1.164 0.576) 1.406 25.246 ( 1.336 -0.978 -0.112) 1.659 25.451 ( -2.052 3.426 -1.826) 4.391 25.529 ( -0.865 -4.107 -1.792) 4.564 25.564 ( 0.121 1.751 1.730) 2.464 25.641 ( 1.793 -5.587 -0.050) 5.868 27.130 ( 0.549 2.427 0.526) 2.543 27.181 ( 2.367 -1.794 1.793) 3.470 27.362 ( -0.572 0.673 -1.914) 2.108 27.424 ( 0.520 -5.059 2.635) 5.728 29.049 ( -3.445 0.950 0.530) 3.612 29.080 ( -2.159 -2.124 -0.115) 3.030 30.053 ( -0.201 3.818 -1.554) 4.127 30.066 ( 0.159 2.613 -1.313) 2.928 ======================= Grid point 202 (103/104) ======================= q-point: ( 0.33 0.43 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 170 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.874 ( 6.241 1.745 -10.299) 12.168 1.983 ( -1.114 -8.142 -0.054) 8.218 2.189 ( -0.195 -1.913 10.900) 11.068 2.232 ( 0.312 -6.098 3.018) 6.811 2.541 ( 1.311 5.075 2.707) 5.899 2.593 ( 3.456 -0.381 6.105) 7.025 2.755 ( 0.504 3.220 -4.721) 5.737 2.891 ( 0.634 -8.812 -1.214) 8.918 2.947 ( -6.352 4.161 0.876) 7.644 3.005 ( -3.630 -1.699 -3.937) 5.618 3.313 ( -0.774 8.884 4.746) 10.102 3.470 ( -5.208 -6.163 1.623) 8.230 3.615 ( 1.450 4.206 1.404) 4.666 3.641 ( 1.302 2.680 4.982) 5.805 4.135 ( 5.712 2.621 5.388) 8.278 4.211 ( 6.516 -4.204 7.148) 10.546 4.619 ( -0.947 7.189 -10.962) 13.143 4.630 ( 4.322 4.732 -16.366) 17.576 4.729 ( -2.837 3.178 0.827) 4.339 4.807 ( 0.513 -2.747 -2.754) 3.924 4.868 ( -4.803 7.075 4.625) 9.722 4.941 ( -8.265 2.098 -1.025) 8.588 5.095 ( 2.311 2.776 2.137) 4.197 5.221 ( -0.175 -5.912 -4.320) 7.324 5.318 ( -1.435 -3.667 -1.777) 4.321 5.355 ( -1.804 -5.573 2.007) 6.192 5.677 ( 0.433 -0.221 3.316) 3.352 5.765 ( -2.712 -7.460 1.992) 8.184 6.106 ( -0.230 2.319 -1.185) 2.615 6.137 ( -1.419 0.702 -5.412) 5.639 6.194 ( 5.186 2.089 -0.366) 5.603 6.236 ( 1.855 0.192 7.741) 7.962 6.477 ( 5.178 2.699 0.086) 5.840 6.572 ( 3.761 -6.127 -1.647) 7.375 6.921 ( -4.839 4.684 3.239) 7.473 6.993 ( -4.298 -2.292 1.775) 5.184 7.414 ( 3.990 3.400 -5.278) 7.439 7.462 ( 1.623 1.273 -5.243) 5.634 7.522 ( -2.851 -0.087 0.132) 2.855 7.581 ( -3.708 -4.612 -1.886) 6.211 7.842 ( -4.477 4.227 -8.754) 10.703 7.912 ( -8.659 -2.227 -6.497) 11.052 8.040 ( 1.763 1.850 7.388) 7.817 8.115 ( -1.240 -4.818 3.583) 6.131 8.430 ( 2.496 4.007 4.435) 6.477 8.480 ( 1.375 -0.669 1.087) 1.876 8.764 ( 2.439 2.225 2.125) 3.926 8.804 ( 1.900 -1.496 3.291) 4.084 10.107 ( 1.620 6.043 0.323) 6.264 10.152 ( 0.825 6.478 0.753) 6.573 10.236 ( 1.302 -4.740 -1.823) 5.243 10.302 ( -1.266 -6.671 0.395) 6.802 10.576 ( 3.248 1.659 -4.789) 6.020 10.653 ( -1.563 -5.466 1.322) 5.836 10.953 ( 5.039 6.836 5.351) 10.037 11.090 ( -0.178 -5.418 5.258) 7.552 11.151 ( -6.664 4.606 -1.909) 8.323 11.249 ( -5.453 -4.690 -4.436) 8.451 11.684 ( 3.022 4.706 -4.330) 7.073 11.818 ( -0.432 -6.956 -5.857) 9.104 12.187 ( 5.248 5.141 3.593) 8.178 12.242 ( 2.111 0.054 9.753) 9.979 12.446 ( 5.313 -3.271 8.803) 10.790 12.483 ( 5.296 -5.991 3.913) 8.902 13.275 ( -5.039 3.844 -7.796) 10.047 13.366 ( -10.480 -4.646 -5.528) 12.727 13.850 ( -1.496 2.358 -1.431) 3.138 13.874 ( -4.744 0.021 -2.402) 5.317 14.209 ( 1.993 7.111 4.505) 8.650 14.340 ( -2.028 -1.338 0.464) 2.473 14.408 ( 0.633 0.396 -3.009) 3.100 14.564 ( -7.022 -10.430 -7.273) 14.525 15.437 ( 4.502 6.512 1.332) 8.028 15.528 ( -0.502 -2.552 0.107) 2.603 15.668 ( 1.364 1.487 4.643) 5.062 15.689 ( 0.668 -0.514 2.706) 2.834 15.959 ( -1.449 3.022 -2.354) 4.096 16.009 ( -2.663 -1.763 -2.413) 4.003 16.532 ( 5.664 1.399 -0.125) 5.836 16.562 ( 4.102 -1.454 1.181) 4.509 25.128 ( 2.069 0.643 0.966) 2.372 25.135 ( 2.015 -0.080 0.472) 2.071 25.240 ( 0.538 0.572 0.314) 0.845 25.256 ( -0.206 -1.046 -0.626) 1.236 25.421 ( 0.014 4.779 -1.081) 4.899 25.480 ( -2.364 0.403 -1.742) 2.964 25.598 ( 1.393 -2.925 2.408) 4.036 25.656 ( 0.259 -6.998 -1.534) 7.169 27.164 ( 2.161 3.128 2.073) 4.331 27.231 ( 1.984 -3.200 -0.589) 3.811 27.350 ( 0.033 3.619 0.570) 3.664 27.427 ( -1.570 -4.053 1.053) 4.473 28.996 ( -2.240 0.419 0.578) 2.351 29.028 ( -2.979 -2.705 -0.251) 4.032 30.042 ( 0.124 3.529 -1.388) 3.795 30.056 ( -0.289 2.310 -1.443) 2.738 ======================= Grid point 203 (104/104) ======================= q-point: (-0.50 0.43 0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.32e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.943 ( 5.242 -2.485 -5.498) 7.993 1.943 ( -5.242 -2.485 5.498) 7.993 2.224 ( -0.022 -3.956 -4.377) 5.900 2.224 ( 0.022 -3.956 4.377) 5.900 2.614 ( -3.988 3.925 -4.777) 7.357 2.614 ( 3.988 3.925 4.777) 7.357 2.768 ( -4.418 -0.975 -1.235) 4.690 2.768 ( 4.418 -0.975 1.235) 4.690 2.984 ( -0.659 -0.700 -2.425) 2.609 2.984 ( 0.659 -0.700 2.425) 2.609 3.356 ( -3.858 -1.324 -2.313) 4.689 3.356 ( 3.858 -1.324 2.313) 4.689 3.651 ( 1.758 9.654 -2.721) 10.183 3.651 ( -1.758 9.654 2.721) 10.183 4.259 ( -2.095 -1.688 -3.767) 4.629 4.259 ( 2.095 -1.688 3.766) 4.629 4.595 ( -0.013 3.691 -2.427) 4.417 4.595 ( 0.013 3.691 2.427) 4.417 4.752 ( -4.088 0.905 -2.669) 4.965 4.752 ( 4.088 0.905 2.669) 4.965 4.843 ( 1.315 1.852 -4.256) 4.824 4.843 ( -1.315 1.852 4.256) 4.824 5.170 ( 0.204 2.341 -6.708) 7.108 5.170 ( -0.204 2.341 6.708) 7.108 5.322 ( 2.318 -7.017 -5.038) 8.944 5.322 ( -2.318 -7.017 5.038) 8.944 5.713 ( -0.375 -4.825 -3.869) 6.196 5.713 ( 0.375 -4.825 3.869) 6.196 6.100 ( 1.898 2.319 -5.770) 6.502 6.100 ( -1.898 2.319 5.770) 6.502 6.262 ( 2.700 1.722 -4.979) 5.920 6.262 ( -2.700 1.722 4.979) 5.920 6.574 ( -2.276 -2.568 -2.304) 4.133 6.574 ( 2.276 -2.568 2.304) 4.133 6.903 ( -2.649 0.361 -1.407) 3.021 6.903 ( 2.649 0.361 1.407) 3.021 7.471 ( -0.993 0.459 -0.109) 1.099 7.471 ( 0.993 0.459 0.109) 1.099 7.548 ( -2.149 -2.314 -3.542) 4.745 7.548 ( 2.149 -2.314 3.542) 4.745 7.731 ( 0.277 2.391 -2.942) 3.801 7.731 ( -0.277 2.391 2.942) 3.801 8.121 ( -0.793 -1.473 -2.644) 3.129 8.121 ( 0.793 -1.473 2.644) 3.129 8.481 ( -0.459 0.849 -2.194) 2.397 8.481 ( 0.459 0.849 2.194) 2.397 8.813 ( -1.514 1.328 -0.526) 2.081 8.813 ( 1.514 1.328 0.526) 2.081 10.140 ( -0.021 6.588 -1.344) 6.724 10.140 ( 0.021 6.588 1.344) 6.724 10.267 ( 1.828 -5.075 -1.415) 5.577 10.267 ( -1.828 -5.075 1.415) 5.577 10.619 ( 3.277 -3.063 -3.875) 5.928 10.619 ( -3.277 -3.063 3.875) 5.928 11.021 ( 0.021 2.976 -5.476) 6.232 11.021 ( -0.021 2.976 5.476) 6.232 11.168 ( -1.684 -0.022 -5.767) 6.008 11.168 ( 1.684 -0.022 5.767) 6.008 11.749 ( -2.954 -1.604 -2.923) 4.454 11.749 ( 2.954 -1.604 2.923) 4.454 12.281 ( 3.027 1.173 -2.863) 4.328 12.281 ( -3.027 1.173 2.863) 4.328 12.536 ( -0.136 -3.974 -3.411) 5.239 12.536 ( 0.136 -3.974 3.411) 5.239 13.222 ( 1.484 -0.960 -2.305) 2.905 13.222 ( -1.484 -0.960 2.305) 2.905 13.815 ( 0.024 0.880 -0.294) 0.928 13.815 ( -0.024 0.880 0.294) 0.928 14.262 ( -1.863 6.167 -4.060) 7.615 14.262 ( 1.863 6.167 4.060) 7.615 14.466 ( -1.797 -7.610 -4.337) 8.941 14.466 ( 1.797 -7.610 4.337) 8.941 15.497 ( -2.273 1.678 -0.338) 2.846 15.497 ( 2.273 1.678 0.338) 2.846 15.704 ( 0.479 0.741 -2.206) 2.376 15.704 ( -0.479 0.741 2.206) 2.376 15.956 ( -1.619 0.756 -0.732) 1.931 15.956 ( 1.619 0.756 0.732) 1.931 16.595 ( 0.646 -0.150 -0.532) 0.850 16.595 ( -0.646 -0.150 0.532) 0.850 25.158 ( -0.169 0.160 -0.488) 0.541 25.158 ( 0.169 0.160 0.488) 0.541 25.245 ( 0.217 -0.308 -0.542) 0.660 25.245 ( -0.217 -0.308 0.542) 0.660 25.436 ( -0.410 3.400 -1.413) 3.705 25.436 ( 0.410 3.400 1.413) 3.705 25.635 ( -1.016 -5.911 -2.398) 6.460 25.635 ( 1.016 -5.911 2.398) 6.460 27.219 ( -1.585 0.942 -3.096) 3.603 27.219 ( 1.585 0.942 3.096) 3.603 27.384 ( -1.970 -0.345 -1.973) 2.810 27.384 ( 1.970 -0.345 1.973) 2.810 28.987 ( -0.522 -1.497 -0.859) 1.803 28.987 ( 0.522 -1.497 0.859) 1.803 30.043 ( 0.203 2.770 -0.982) 2.946 30.043 ( -0.203 2.770 0.982) 2.946 =================== 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 3/32256 10.0 440.862 339.760 489.788 0.000 -66.580 0.000 3/32256 20.0 174.325 150.484 257.640 0.000 -5.245 0.000 3/32256 30.0 80.777 65.886 116.079 0.000 -1.466 0.000 3/32256 40.0 46.134 36.833 64.056 0.000 -0.800 0.000 3/32256 50.0 29.952 23.880 40.823 0.000 -0.536 0.000 3/32256 60.0 21.290 17.096 28.797 0.000 -0.398 0.000 3/32256 70.0 16.167 13.104 21.816 0.000 -0.312 0.000 3/32256 80.0 12.890 10.542 17.393 0.000 -0.254 0.000 3/32256 90.0 10.662 8.788 14.395 0.000 -0.211 0.000 3/32256 100.0 9.068 7.523 12.254 0.000 -0.178 0.000 3/32256 110.0 7.883 6.575 10.660 0.000 -0.151 0.000 3/32256 120.0 6.972 5.841 9.434 0.000 -0.130 0.000 3/32256 130.0 6.252 5.257 8.464 0.000 -0.112 0.000 3/32256 140.0 5.670 4.783 7.679 0.000 -0.097 0.000 3/32256 150.0 5.191 4.390 7.031 0.000 -0.084 0.000 3/32256 160.0 4.790 4.060 6.489 0.000 -0.073 0.000 3/32256 170.0 4.449 3.779 6.027 0.000 -0.064 0.000 3/32256 180.0 4.156 3.536 5.630 0.000 -0.056 0.000 3/32256 190.0 3.902 3.325 5.285 0.000 -0.049 0.000 3/32256 200.0 3.679 3.139 4.982 0.000 -0.042 0.000 3/32256 210.0 3.481 2.975 4.714 0.000 -0.037 0.000 3/32256 220.0 3.305 2.828 4.474 0.000 -0.032 0.000 3/32256 230.0 3.147 2.696 4.260 0.000 -0.028 0.000 3/32256 240.0 3.005 2.577 4.066 0.000 -0.024 0.000 3/32256 250.0 2.876 2.468 3.890 0.000 -0.021 0.000 3/32256 260.0 2.758 2.370 3.730 0.000 -0.018 0.000 3/32256 270.0 2.650 2.279 3.583 0.000 -0.015 0.000 3/32256 280.0 2.551 2.196 3.448 0.000 -0.013 0.000 3/32256 290.0 2.459 2.119 3.323 0.000 -0.010 0.000 3/32256 300.0 2.374 2.048 3.208 0.000 -0.009 0.000 3/32256 310.0 2.296 1.981 3.101 0.000 -0.007 0.000 3/32256 320.0 2.222 1.920 3.001 0.000 -0.005 0.000 3/32256 330.0 2.153 1.862 2.908 0.000 -0.004 0.000 3/32256 340.0 2.089 1.808 2.820 0.000 -0.003 0.000 3/32256 350.0 2.029 1.757 2.738 0.000 -0.002 0.000 3/32256 360.0 1.972 1.709 2.661 0.000 -0.001 0.000 3/32256 370.0 1.918 1.664 2.588 0.000 0.000 0.000 3/32256 380.0 1.868 1.621 2.519 0.000 0.001 0.000 3/32256 390.0 1.820 1.580 2.454 0.000 0.002 0.000 3/32256 400.0 1.774 1.542 2.392 0.000 0.003 0.000 3/32256 410.0 1.731 1.505 2.334 0.000 0.003 0.000 3/32256 420.0 1.690 1.471 2.278 0.000 0.004 0.000 3/32256 430.0 1.651 1.438 2.225 0.000 0.004 0.000 3/32256 440.0 1.614 1.406 2.175 0.000 0.005 0.000 3/32256 450.0 1.578 1.376 2.127 0.000 0.005 0.000 3/32256 460.0 1.544 1.347 2.081 0.000 0.005 0.000 3/32256 470.0 1.512 1.319 2.036 0.000 0.006 0.000 3/32256 480.0 1.480 1.293 1.994 0.000 0.006 0.000 3/32256 490.0 1.451 1.267 1.954 0.000 0.006 0.000 3/32256 500.0 1.422 1.243 1.915 0.000 0.006 0.000 3/32256 510.0 1.394 1.220 1.878 0.000 0.007 0.000 3/32256 520.0 1.368 1.197 1.842 0.000 0.007 0.000 3/32256 530.0 1.342 1.175 1.808 0.000 0.007 0.000 3/32256 540.0 1.318 1.154 1.774 0.000 0.007 0.000 3/32256 550.0 1.294 1.134 1.743 0.000 0.007 0.000 3/32256 560.0 1.272 1.115 1.712 0.000 0.007 0.000 3/32256 570.0 1.250 1.096 1.682 0.000 0.008 0.000 3/32256 580.0 1.228 1.078 1.653 0.000 0.008 0.000 3/32256 590.0 1.208 1.060 1.626 0.000 0.008 0.000 3/32256 600.0 1.188 1.043 1.599 0.000 0.008 0.000 3/32256 610.0 1.169 1.027 1.573 0.000 0.008 0.000 3/32256 620.0 1.150 1.011 1.548 0.000 0.008 0.000 3/32256 630.0 1.132 0.995 1.524 0.000 0.008 0.000 3/32256 640.0 1.115 0.980 1.500 0.000 0.008 0.000 3/32256 650.0 1.098 0.966 1.477 0.000 0.008 0.000 3/32256 660.0 1.082 0.952 1.455 0.000 0.008 0.000 3/32256 670.0 1.066 0.938 1.434 0.000 0.008 0.000 3/32256 680.0 1.050 0.925 1.413 0.000 0.008 0.000 3/32256 690.0 1.035 0.912 1.393 0.000 0.008 0.000 3/32256 700.0 1.021 0.899 1.373 0.000 0.008 0.000 3/32256 710.0 1.006 0.887 1.354 0.000 0.008 0.000 3/32256 720.0 0.993 0.875 1.335 0.000 0.008 0.000 3/32256 730.0 0.979 0.863 1.317 0.000 0.008 0.000 3/32256 740.0 0.966 0.852 1.300 0.000 0.008 0.000 3/32256 750.0 0.954 0.841 1.283 0.000 0.008 0.000 3/32256 760.0 0.941 0.830 1.266 0.000 0.008 0.000 3/32256 770.0 0.929 0.820 1.250 0.000 0.008 0.000 3/32256 780.0 0.917 0.810 1.234 0.000 0.008 0.000 3/32256 790.0 0.906 0.800 1.218 0.000 0.008 0.000 3/32256 800.0 0.895 0.790 1.203 0.000 0.008 0.000 3/32256 810.0 0.884 0.781 1.189 0.000 0.008 0.000 3/32256 820.0 0.873 0.771 1.174 0.000 0.008 0.000 3/32256 830.0 0.863 0.762 1.160 0.000 0.008 0.000 3/32256 840.0 0.853 0.754 1.147 0.000 0.008 0.000 3/32256 850.0 0.843 0.745 1.133 0.000 0.008 0.000 3/32256 860.0 0.833 0.736 1.120 0.000 0.008 0.000 3/32256 870.0 0.824 0.728 1.108 0.000 0.008 0.000 3/32256 880.0 0.814 0.720 1.095 0.000 0.008 0.000 3/32256 890.0 0.805 0.712 1.083 0.000 0.007 0.000 3/32256 900.0 0.797 0.705 1.071 0.000 0.007 0.000 3/32256 910.0 0.788 0.697 1.059 0.000 0.007 0.000 3/32256 920.0 0.779 0.690 1.048 0.000 0.007 0.000 3/32256 930.0 0.771 0.682 1.037 0.000 0.007 0.000 3/32256 940.0 0.763 0.675 1.026 0.000 0.007 0.000 3/32256 950.0 0.755 0.668 1.015 0.000 0.007 0.000 3/32256 960.0 0.747 0.662 1.005 0.000 0.007 0.000 3/32256 970.0 0.740 0.655 0.995 0.000 0.007 0.000 3/32256 980.0 0.732 0.649 0.984 0.000 0.007 0.000 3/32256 990.0 0.725 0.642 0.975 0.000 0.007 0.000 3/32256 1000.0 0.718 0.636 0.965 0.000 0.007 0.000 3/32256 Thermal conductivity related properties were written into "kappa-m678.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 15:43:28]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|