----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:07:34]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.434173930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.196450670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 5.290261170000000 Atomic positions (fractional): *1 O 0.84663075582172 0.10062865180786 0.01407885421644 15.999 2 O 0.65336924417828 0.89937134819214 0.01407885421644 15.999 3 O 0.84663075582172 0.39937134819213 0.48592114578356 15.999 4 O 0.65336924417828 0.60062865180786 0.48592114578356 15.999 5 O 0.15336924417827 0.89937134819214 0.98592114578356 15.999 6 O 0.34663075582172 0.10062865180786 0.98592114578356 15.999 7 O 0.15336924417827 0.60062865180786 0.51407885421644 15.999 8 O 0.34663075582172 0.39937134819213 0.51407885421644 15.999 *9 O 0.84233601526868 0.14388219347398 0.56302506722362 15.999 10 O 0.65766398473132 0.85611780652602 0.56302506722362 15.999 11 O 0.84233601526868 0.35611780652602 0.93697493277638 15.999 12 O 0.65766398473132 0.64388219347398 0.93697493277638 15.999 13 O 0.15766398473132 0.85611780652602 0.43697493277638 15.999 14 O 0.34233601526868 0.14388219347398 0.43697493277638 15.999 15 O 0.15766398473132 0.64388219347398 0.06302506722362 15.999 16 O 0.34233601526868 0.35611780652602 0.06302506722362 15.999 *17 O 0.56607758964633 0.38869972607319 0.28254826109814 15.999 18 O 0.93392241035367 0.61130027392681 0.28254826109814 15.999 19 O 0.56607758964633 0.11130027392681 0.21745173890186 15.999 20 O 0.93392241035367 0.88869972607319 0.21745173890186 15.999 21 O 0.43392241035367 0.61130027392681 0.71745173890186 15.999 22 O 0.06607758964633 0.38869972607319 0.71745173890186 15.999 23 O 0.43392241035367 0.88869972607319 0.78254826109814 15.999 24 O 0.06607758964633 0.11130027392681 0.78254826109814 15.999 *25 O 0.39829470920000 0.52429547504860 0.18578206931438 15.999 26 O 0.10170529080000 0.47570452495140 0.18578206931438 15.999 27 O 0.39829470920000 0.97570452495140 0.31421793068562 15.999 28 O 0.10170529080000 0.02429547504860 0.31421793068562 15.999 29 O 0.60170529080000 0.47570452495140 0.81421793068562 15.999 30 O 0.89829470920000 0.52429547504860 0.81421793068562 15.999 31 O 0.60170529080000 0.02429547504860 0.68578206931438 15.999 32 O 0.89829470920000 0.97570452495140 0.68578206931438 15.999 *33 S 0.91383907087141 0.08347961581600 0.76445141686687 32.065 34 S 0.58616092912859 0.91652038418400 0.76445141686687 32.065 35 S 0.91383907087141 0.41652038418400 0.73554858313313 32.065 36 S 0.58616092912859 0.58347961581600 0.73554858313313 32.065 37 S 0.08616092912859 0.91652038418400 0.23554858313313 32.065 38 S 0.41383907087141 0.08347961581600 0.23554858313313 32.065 39 S 0.08616092912859 0.58347961581600 0.26445141686687 32.065 40 S 0.41383907087141 0.41652038418400 0.26445141686687 32.065 *41 Rb 0.07723777198721 0.25000000000000 0.25000000000000 85.468 42 Rb 0.42276222801279 0.75000000000000 0.25000000000000 85.468 43 Rb 0.92276222801279 0.75000000000000 0.75000000000000 85.468 44 Rb 0.57723777198721 0.25000000000000 0.75000000000000 85.468 *45 Dy 0.75000000000000 0.50000000000000 0.17152626824206 162.500 46 Dy 0.75000000000000 0.00000000000000 0.32847373175794 162.500 47 Dy 0.25000000000000 0.50000000000000 0.82847373175794 162.500 48 Dy 0.25000000000000 0.00000000000000 0.67152626824206 162.500 -------------------------------- unit cell --------------------------------- Lattice vectors: a 9.434173930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.196450670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 5.290261170000000 Atomic positions (fractional): *1 O 0.84663075582172 0.10062865180786 0.01407885421644 15.999 > 1 2 O 0.65336924417828 0.89937134819214 0.01407885421644 15.999 > 2 3 O 0.84663075582172 0.39937134819213 0.48592114578356 15.999 > 3 4 O 0.65336924417828 0.60062865180786 0.48592114578356 15.999 > 4 5 O 0.15336924417827 0.89937134819214 0.98592114578356 15.999 > 5 6 O 0.34663075582172 0.10062865180786 0.98592114578356 15.999 > 6 7 O 0.15336924417827 0.60062865180786 0.51407885421644 15.999 > 7 8 O 0.34663075582172 0.39937134819213 0.51407885421644 15.999 > 8 *9 O 0.84233601526868 0.14388219347398 0.56302506722362 15.999 > 9 10 O 0.65766398473132 0.85611780652602 0.56302506722362 15.999 > 10 11 O 0.84233601526868 0.35611780652602 0.93697493277638 15.999 > 11 12 O 0.65766398473132 0.64388219347398 0.93697493277638 15.999 > 12 13 O 0.15766398473132 0.85611780652602 0.43697493277638 15.999 > 13 14 O 0.34233601526868 0.14388219347398 0.43697493277638 15.999 > 14 15 O 0.15766398473132 0.64388219347398 0.06302506722362 15.999 > 15 16 O 0.34233601526868 0.35611780652602 0.06302506722362 15.999 > 16 *17 O 0.56607758964633 0.38869972607319 0.28254826109814 15.999 > 17 18 O 0.93392241035367 0.61130027392681 0.28254826109814 15.999 > 18 19 O 0.56607758964633 0.11130027392681 0.21745173890186 15.999 > 19 20 O 0.93392241035367 0.88869972607319 0.21745173890186 15.999 > 20 21 O 0.43392241035367 0.61130027392681 0.71745173890186 15.999 > 21 22 O 0.06607758964633 0.38869972607319 0.71745173890186 15.999 > 22 23 O 0.43392241035367 0.88869972607319 0.78254826109814 15.999 > 23 24 O 0.06607758964633 0.11130027392681 0.78254826109814 15.999 > 24 *25 O 0.39829470920000 0.52429547504860 0.18578206931438 15.999 > 25 26 O 0.10170529080000 0.47570452495140 0.18578206931438 15.999 > 26 27 O 0.39829470920000 0.97570452495140 0.31421793068562 15.999 > 27 28 O 0.10170529080000 0.02429547504860 0.31421793068562 15.999 > 28 29 O 0.60170529080000 0.47570452495140 0.81421793068562 15.999 > 29 30 O 0.89829470920000 0.52429547504860 0.81421793068562 15.999 > 30 31 O 0.60170529080000 0.02429547504860 0.68578206931438 15.999 > 31 32 O 0.89829470920000 0.97570452495140 0.68578206931438 15.999 > 32 *33 S 0.91383907087141 0.08347961581600 0.76445141686687 32.065 > 33 34 S 0.58616092912859 0.91652038418400 0.76445141686687 32.065 > 34 35 S 0.91383907087141 0.41652038418400 0.73554858313313 32.065 > 35 36 S 0.58616092912859 0.58347961581600 0.73554858313313 32.065 > 36 37 S 0.08616092912859 0.91652038418400 0.23554858313313 32.065 > 37 38 S 0.41383907087141 0.08347961581600 0.23554858313313 32.065 > 38 39 S 0.08616092912859 0.58347961581600 0.26445141686687 32.065 > 39 40 S 0.41383907087141 0.41652038418400 0.26445141686687 32.065 > 40 *41 Rb 0.07723777198721 0.25000000000000 0.25000000000000 85.468 > 41 42 Rb 0.42276222801279 0.75000000000000 0.25000000000000 85.468 > 42 43 Rb 0.92276222801279 0.75000000000000 0.75000000000000 85.468 > 43 44 Rb 0.57723777198721 0.25000000000000 0.75000000000000 85.468 > 44 *45 Dy 0.75000000000000 0.50000000000000 0.17152626824206 162.500 > 45 46 Dy 0.75000000000000 0.00000000000000 0.32847373175794 162.500 > 46 47 Dy 0.25000000000000 0.50000000000000 0.82847373175794 162.500 > 47 48 Dy 0.25000000000000 0.00000000000000 0.67152626824206 162.500 > 48 -------------------------------- super cell -------------------------------- Lattice vectors: a 9.434173930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.196450670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.580522340000000 Atomic positions (fractional): *1 O 0.84663075582172 0.10062865180786 0.00703942710822 15.999 > 1 2 O 0.84663075582172 0.10062865180786 0.50703942710822 15.999 > 1 3 O 0.65336924417828 0.89937134819214 0.00703942710822 15.999 > 2 4 O 0.65336924417828 0.89937134819214 0.50703942710822 15.999 > 2 5 O 0.84663075582172 0.39937134819213 0.24296057289178 15.999 > 3 6 O 0.84663075582172 0.39937134819213 0.74296057289178 15.999 > 3 7 O 0.65336924417828 0.60062865180786 0.24296057289178 15.999 > 4 8 O 0.65336924417828 0.60062865180786 0.74296057289178 15.999 > 4 9 O 0.15336924417827 0.89937134819214 0.49296057289178 15.999 > 5 10 O 0.15336924417827 0.89937134819214 0.99296057289178 15.999 > 5 11 O 0.34663075582172 0.10062865180786 0.49296057289178 15.999 > 6 12 O 0.34663075582172 0.10062865180786 0.99296057289178 15.999 > 6 13 O 0.15336924417827 0.60062865180786 0.25703942710822 15.999 > 7 14 O 0.15336924417827 0.60062865180786 0.75703942710822 15.999 > 7 15 O 0.34663075582172 0.39937134819213 0.25703942710822 15.999 > 8 16 O 0.34663075582172 0.39937134819213 0.75703942710822 15.999 > 8 *17 O 0.84233601526868 0.14388219347398 0.28151253361181 15.999 > 9 18 O 0.84233601526868 0.14388219347398 0.78151253361181 15.999 > 9 19 O 0.65766398473132 0.85611780652602 0.28151253361181 15.999 > 10 20 O 0.65766398473132 0.85611780652602 0.78151253361181 15.999 > 10 21 O 0.84233601526868 0.35611780652602 0.46848746638819 15.999 > 11 22 O 0.84233601526868 0.35611780652602 0.96848746638819 15.999 > 11 23 O 0.65766398473132 0.64388219347398 0.46848746638819 15.999 > 12 24 O 0.65766398473132 0.64388219347398 0.96848746638819 15.999 > 12 25 O 0.15766398473132 0.85611780652602 0.21848746638819 15.999 > 13 26 O 0.15766398473132 0.85611780652602 0.71848746638819 15.999 > 13 27 O 0.34233601526868 0.14388219347398 0.21848746638819 15.999 > 14 28 O 0.34233601526868 0.14388219347398 0.71848746638819 15.999 > 14 29 O 0.15766398473132 0.64388219347398 0.03151253361181 15.999 > 15 30 O 0.15766398473132 0.64388219347398 0.53151253361181 15.999 > 15 31 O 0.34233601526868 0.35611780652602 0.03151253361181 15.999 > 16 32 O 0.34233601526868 0.35611780652602 0.53151253361181 15.999 > 16 *33 O 0.56607758964633 0.38869972607319 0.14127413054907 15.999 > 17 34 O 0.56607758964633 0.38869972607319 0.64127413054907 15.999 > 17 35 O 0.93392241035367 0.61130027392681 0.14127413054907 15.999 > 18 36 O 0.93392241035367 0.61130027392681 0.64127413054907 15.999 > 18 37 O 0.56607758964633 0.11130027392681 0.10872586945093 15.999 > 19 38 O 0.56607758964633 0.11130027392681 0.60872586945093 15.999 > 19 39 O 0.93392241035367 0.88869972607319 0.10872586945093 15.999 > 20 40 O 0.93392241035367 0.88869972607319 0.60872586945093 15.999 > 20 41 O 0.43392241035367 0.61130027392681 0.35872586945093 15.999 > 21 42 O 0.43392241035367 0.61130027392681 0.85872586945093 15.999 > 21 43 O 0.06607758964633 0.38869972607319 0.35872586945093 15.999 > 22 44 O 0.06607758964633 0.38869972607319 0.85872586945093 15.999 > 22 45 O 0.43392241035367 0.88869972607319 0.39127413054907 15.999 > 23 46 O 0.43392241035367 0.88869972607319 0.89127413054907 15.999 > 23 47 O 0.06607758964633 0.11130027392681 0.39127413054907 15.999 > 24 48 O 0.06607758964633 0.11130027392681 0.89127413054907 15.999 > 24 *49 O 0.39829470920000 0.52429547504860 0.09289103465719 15.999 > 25 50 O 0.39829470920000 0.52429547504860 0.59289103465719 15.999 > 25 51 O 0.10170529080000 0.47570452495140 0.09289103465719 15.999 > 26 52 O 0.10170529080000 0.47570452495140 0.59289103465719 15.999 > 26 53 O 0.39829470920000 0.97570452495140 0.15710896534281 15.999 > 27 54 O 0.39829470920000 0.97570452495140 0.65710896534281 15.999 > 27 55 O 0.10170529080000 0.02429547504860 0.15710896534281 15.999 > 28 56 O 0.10170529080000 0.02429547504860 0.65710896534281 15.999 > 28 57 O 0.60170529080000 0.47570452495140 0.40710896534281 15.999 > 29 58 O 0.60170529080000 0.47570452495140 0.90710896534281 15.999 > 29 59 O 0.89829470920000 0.52429547504860 0.40710896534281 15.999 > 30 60 O 0.89829470920000 0.52429547504860 0.90710896534281 15.999 > 30 61 O 0.60170529080000 0.02429547504860 0.34289103465719 15.999 > 31 62 O 0.60170529080000 0.02429547504860 0.84289103465719 15.999 > 31 63 O 0.89829470920000 0.97570452495140 0.34289103465719 15.999 > 32 64 O 0.89829470920000 0.97570452495140 0.84289103465719 15.999 > 32 *65 S 0.91383907087141 0.08347961581600 0.38222570843344 32.065 > 33 66 S 0.91383907087141 0.08347961581600 0.88222570843344 32.065 > 33 67 S 0.58616092912859 0.91652038418400 0.38222570843344 32.065 > 34 68 S 0.58616092912859 0.91652038418400 0.88222570843344 32.065 > 34 69 S 0.91383907087141 0.41652038418400 0.36777429156656 32.065 > 35 70 S 0.91383907087141 0.41652038418400 0.86777429156656 32.065 > 35 71 S 0.58616092912859 0.58347961581600 0.36777429156656 32.065 > 36 72 S 0.58616092912859 0.58347961581600 0.86777429156656 32.065 > 36 73 S 0.08616092912859 0.91652038418400 0.11777429156657 32.065 > 37 74 S 0.08616092912859 0.91652038418400 0.61777429156657 32.065 > 37 75 S 0.41383907087141 0.08347961581600 0.11777429156657 32.065 > 38 76 S 0.41383907087141 0.08347961581600 0.61777429156657 32.065 > 38 77 S 0.08616092912859 0.58347961581600 0.13222570843344 32.065 > 39 78 S 0.08616092912859 0.58347961581600 0.63222570843344 32.065 > 39 79 S 0.41383907087141 0.41652038418400 0.13222570843344 32.065 > 40 80 S 0.41383907087141 0.41652038418400 0.63222570843344 32.065 > 40 *81 Rb 0.07723777198721 0.25000000000000 0.12500000000000 85.468 > 41 82 Rb 0.07723777198721 0.25000000000000 0.62500000000000 85.468 > 41 83 Rb 0.42276222801279 0.75000000000000 0.12500000000000 85.468 > 42 84 Rb 0.42276222801279 0.75000000000000 0.62500000000000 85.468 > 42 85 Rb 0.92276222801279 0.75000000000000 0.37500000000000 85.468 > 43 86 Rb 0.92276222801279 0.75000000000000 0.87500000000000 85.468 > 43 87 Rb 0.57723777198721 0.25000000000000 0.37500000000000 85.468 > 44 88 Rb 0.57723777198721 0.25000000000000 0.87500000000000 85.468 > 44 *89 Dy 0.75000000000000 0.50000000000000 0.08576313412103 162.500 > 45 90 Dy 0.75000000000000 0.50000000000000 0.58576313412103 162.500 > 45 91 Dy 0.75000000000000 0.00000000000000 0.16423686587897 162.500 > 46 92 Dy 0.75000000000000 0.00000000000000 0.66423686587897 162.500 > 46 93 Dy 0.25000000000000 0.50000000000000 0.41423686587897 162.500 > 47 94 Dy 0.25000000000000 0.50000000000000 0.91423686587897 162.500 > 47 95 Dy 0.25000000000000 0.00000000000000 0.33576313412103 162.500 > 48 96 Dy 0.25000000000000 0.00000000000000 0.83576313412103 162.500 > 48 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8480720 0.0000000 0.0000000 0.0000000 2.4812935 0.0000000 0.0000000 0.0000000 2.9110197 -------------------------- Born effective charges -------------------------- 1 O -1.3430697 -0.1365198 0.6856349 -0.0654356 -0.8980373 0.1015040 0.7636232 0.1921830 -2.5879981 2 O -1.3430697 -0.1365198 -0.6856349 -0.0654356 -0.8980373 -0.1015040 -0.7636232 -0.1921830 -2.5879981 3 O -1.3430697 0.1365198 -0.6856349 0.0654356 -0.8980373 0.1015040 -0.7636232 0.1921830 -2.5879981 4 O -1.3430697 0.1365198 0.6856349 0.0654356 -0.8980373 -0.1015040 0.7636232 -0.1921830 -2.5879981 5 O -1.3430697 -0.1365198 0.6856349 -0.0654356 -0.8980373 0.1015040 0.7636232 0.1921830 -2.5879981 6 O -1.3430697 -0.1365198 -0.6856349 -0.0654356 -0.8980373 -0.1015040 -0.7636232 -0.1921830 -2.5879981 7 O -1.3430697 0.1365198 -0.6856349 0.0654356 -0.8980373 0.1015040 -0.7636232 0.1921830 -2.5879981 8 O -1.3430697 0.1365198 0.6856349 0.0654356 -0.8980373 -0.1015040 0.7636232 -0.1921830 -2.5879981 9 O -1.3308593 0.0632991 -0.4745502 0.0994149 -1.2552939 0.1854380 -0.4380369 0.0919375 -1.7188387 10 O -1.3308593 0.0632991 0.4745502 0.0994149 -1.2552939 -0.1854380 0.4380369 -0.0919375 -1.7188387 11 O -1.3308593 -0.0632991 0.4745502 -0.0994149 -1.2552939 0.1854380 0.4380369 0.0919375 -1.7188387 12 O -1.3308593 -0.0632991 -0.4745502 -0.0994149 -1.2552939 -0.1854380 -0.4380369 -0.0919375 -1.7188387 13 O -1.3308593 0.0632991 -0.4745502 0.0994149 -1.2552939 0.1854380 -0.4380369 0.0919375 -1.7188387 14 O -1.3308593 0.0632991 0.4745502 0.0994149 -1.2552939 -0.1854380 0.4380369 -0.0919375 -1.7188387 15 O -1.3308593 -0.0632991 0.4745502 -0.0994149 -1.2552939 0.1854380 0.4380369 0.0919375 -1.7188387 16 O -1.3308593 -0.0632991 -0.4745502 -0.0994149 -1.2552939 -0.1854380 -0.4380369 -0.0919375 -1.7188387 17 O -2.6161605 -0.0682803 0.0555848 0.0108243 -0.9617895 0.0966416 0.0816154 0.1416853 -1.0682216 18 O -2.6161605 -0.0682803 -0.0555848 0.0108243 -0.9617895 -0.0966416 -0.0816154 -0.1416853 -1.0682216 19 O -2.6161605 0.0682803 -0.0555848 -0.0108243 -0.9617895 0.0966416 -0.0816154 0.1416853 -1.0682216 20 O -2.6161605 0.0682803 0.0555848 -0.0108243 -0.9617895 -0.0966416 0.0816154 -0.1416853 -1.0682216 21 O -2.6161605 -0.0682803 0.0555848 0.0108243 -0.9617895 0.0966416 0.0816154 0.1416853 -1.0682216 22 O -2.6161605 -0.0682803 -0.0555848 0.0108243 -0.9617895 -0.0966416 -0.0816154 -0.1416853 -1.0682216 23 O -2.6161605 0.0682803 -0.0555848 -0.0108243 -0.9617895 0.0966416 -0.0816154 0.1416853 -1.0682216 24 O -2.6161605 0.0682803 0.0555848 -0.0108243 -0.9617895 -0.0966416 0.0816154 -0.1416853 -1.0682216 25 O -1.2613915 0.1345474 -0.3068167 0.1249487 -1.4553405 0.2932980 -0.2903419 0.3963309 -1.4445273 26 O -1.2613915 0.1345474 0.3068167 0.1249487 -1.4553405 -0.2932980 0.2903419 -0.3963309 -1.4445273 27 O -1.2613915 -0.1345474 0.3068167 -0.1249487 -1.4553405 0.2932980 0.2903419 0.3963309 -1.4445273 28 O -1.2613915 -0.1345474 -0.3068167 -0.1249487 -1.4553405 -0.2932980 -0.2903419 -0.3963309 -1.4445273 29 O -1.2613915 0.1345474 -0.3068167 0.1249487 -1.4553405 0.2932980 -0.2903419 0.3963309 -1.4445273 30 O -1.2613915 0.1345474 0.3068167 0.1249487 -1.4553405 -0.2932980 0.2903419 -0.3963309 -1.4445273 31 O -1.2613915 -0.1345474 0.3068167 -0.1249487 -1.4553405 0.2932980 0.2903419 0.3963309 -1.4445273 32 O -1.2613915 -0.1345474 -0.3068167 -0.1249487 -1.4553405 -0.2932980 -0.2903419 -0.3963309 -1.4445273 33 S 3.7366295 0.1964679 0.0924475 0.0273003 2.5225866 -0.0138601 -0.1214926 0.3216328 3.9253039 34 S 3.7366295 0.1964679 -0.0924475 0.0273003 2.5225866 0.0138601 0.1214926 -0.3216328 3.9253039 35 S 3.7366295 -0.1964679 -0.0924475 -0.0273003 2.5225866 -0.0138601 0.1214926 0.3216328 3.9253039 36 S 3.7366295 -0.1964679 0.0924475 -0.0273003 2.5225866 0.0138601 -0.1214926 -0.3216328 3.9253039 37 S 3.7366295 0.1964679 0.0924475 0.0273003 2.5225866 -0.0138601 -0.1214926 0.3216328 3.9253039 38 S 3.7366295 0.1964679 -0.0924475 0.0273003 2.5225866 0.0138601 0.1214926 -0.3216328 3.9253039 39 S 3.7366295 -0.1964679 -0.0924475 -0.0273003 2.5225866 -0.0138601 0.1214926 0.3216328 3.9253039 40 S 3.7366295 -0.1964679 0.0924475 -0.0273003 2.5225866 0.0138601 -0.1214926 -0.3216328 3.9253039 41 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 -0.0217647 0.0000000 0.0320452 1.1685104 42 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 0.0217647 0.0000000 -0.0320452 1.1685104 43 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 -0.0217647 0.0000000 0.0320452 1.1685104 44 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 0.0217647 0.0000000 -0.0320452 1.1685104 45 Dy 4.4176471 0.1257586 0.0000000 -0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 46 Dy 4.4176471 -0.1257586 0.0000000 0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 47 Dy 4.4176471 0.1257586 0.0000000 -0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 48 Dy 4.4176471 -0.1257586 0.0000000 0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 ---------------------------------------------------------------------------- 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: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2703 Number of blocks in projector: 2703 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: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 238 eigenvectors found. (2) Block: 500 / 578 (2) 240 eigenvectors found. (2) Block: 578 / 578 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 65 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 240 eigenvectors found. (2) Block: 500 / 570 (2) 242 eigenvectors found. (2) Block: 570 / 570 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2703, 2648), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (570, 560), data: False |-- (570, 560), data: False |-- (570, 18), data: (570, 28) @ (28, 18) |-- (70, 60), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 19), data: (574, 31) @ (31, 19) |-- (74, 65), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (578, 566), data: False |-- (578, 566), data: False |-- (578, 22), data: (578, 34) @ (34, 22) |-- (78, 66), data: True |-- (250, 240), data: True |-- (250, 238), data: True ----- Solver_atoms: 1 -- 96 / 96 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 720 - Time: 0.675 Solver_block: 200 / 720 - Time: 0.592 Solver_block: 300 / 720 - Time: 0.590 Solver_block: 400 / 720 - Time: 0.584 Solver_block: 500 / 720 - Time: 0.591 Solver_block: 600 / 720 - Time: 0.596 Solver_block: 700 / 720 - Time: 0.588 Solver_block: 720 / 720 - Time: 0.217 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 4.539 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (yy) -0.00000000 (yy) Permutation basis: 288/288 Permutation basis: 20880/20880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 2703 Number of blocks in projector: 2703 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: 578 Use submatrix version of eigh solver. (1) Block: 578 / 578 (2) Block: 250 / 578 (2) 238 eigenvectors found. (2) Block: 500 / 578 (2) 240 eigenvectors found. (2) Block: 578 / 578 (2) 66 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 22 eigenvectors found. (1) 566 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 574 Use submatrix version of eigh solver. (1) Block: 574 / 574 (2) Block: 250 / 574 (2) 238 eigenvectors found. (2) Block: 500 / 574 (2) 240 eigenvectors found. (2) Block: 574 / 574 (2) 65 eigenvectors found. (2) Complementary block size: 31 (2) Compute compressed projector. (2) Use standard solver. (2) 19 eigenvectors found. (1) 562 eigenvectors found. (1) Complementary block size: 12 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 570 Use submatrix version of eigh solver. (1) Block: 570 / 570 (2) Block: 250 / 570 (2) 240 eigenvectors found. (2) Block: 500 / 570 (2) 242 eigenvectors found. (2) Block: 570 / 570 (2) 60 eigenvectors found. (2) Complementary block size: 28 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 560 eigenvectors found. (1) Complementary block size: 10 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 327 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 327 Use standard eigh solver. Tree of FC basis block matrices: - (2703, 2648), data: False |-- (327, 320), data: True |-- (327, 320), data: True |-- (327, 320), data: True |-- (570, 560), data: False |-- (570, 560), data: False |-- (570, 18), data: (570, 28) @ (28, 18) |-- (70, 60), data: True |-- (250, 242), data: True |-- (250, 240), data: True |-- (574, 562), data: False |-- (574, 562), data: False |-- (574, 19), data: (574, 31) @ (31, 19) |-- (74, 65), data: True |-- (250, 240), data: True |-- (250, 238), data: True |-- (578, 566), data: False |-- (578, 566), data: False |-- (578, 22), data: (578, 34) @ (34, 22) |-- (78, 66), data: True |-- (250, 240), data: True |-- (250, 238), 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 04:08:05]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:08:05]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.434173930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.196450670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 5.290261170000000 Atomic positions (fractional): 1 O 0.84663075582172 0.10062865180786 0.01407885421644 15.999 2 O 0.65336924417828 0.89937134819214 0.01407885421644 15.999 3 O 0.84663075582172 0.39937134819213 0.48592114578356 15.999 4 O 0.65336924417828 0.60062865180786 0.48592114578356 15.999 5 O 0.15336924417827 0.89937134819214 0.98592114578356 15.999 6 O 0.34663075582172 0.10062865180786 0.98592114578356 15.999 7 O 0.15336924417827 0.60062865180786 0.51407885421644 15.999 8 O 0.34663075582172 0.39937134819213 0.51407885421644 15.999 9 O 0.84233601526868 0.14388219347398 0.56302506722362 15.999 10 O 0.65766398473132 0.85611780652602 0.56302506722362 15.999 11 O 0.84233601526868 0.35611780652602 0.93697493277638 15.999 12 O 0.65766398473132 0.64388219347398 0.93697493277638 15.999 13 O 0.15766398473132 0.85611780652602 0.43697493277638 15.999 14 O 0.34233601526868 0.14388219347398 0.43697493277638 15.999 15 O 0.15766398473132 0.64388219347398 0.06302506722362 15.999 16 O 0.34233601526868 0.35611780652602 0.06302506722362 15.999 17 O 0.56607758964633 0.38869972607319 0.28254826109814 15.999 18 O 0.93392241035367 0.61130027392681 0.28254826109814 15.999 19 O 0.56607758964633 0.11130027392681 0.21745173890186 15.999 20 O 0.93392241035367 0.88869972607319 0.21745173890186 15.999 21 O 0.43392241035367 0.61130027392681 0.71745173890186 15.999 22 O 0.06607758964633 0.38869972607319 0.71745173890186 15.999 23 O 0.43392241035367 0.88869972607319 0.78254826109814 15.999 24 O 0.06607758964633 0.11130027392681 0.78254826109814 15.999 25 O 0.39829470920000 0.52429547504860 0.18578206931438 15.999 26 O 0.10170529080000 0.47570452495140 0.18578206931438 15.999 27 O 0.39829470920000 0.97570452495140 0.31421793068562 15.999 28 O 0.10170529080000 0.02429547504860 0.31421793068562 15.999 29 O 0.60170529080000 0.47570452495140 0.81421793068562 15.999 30 O 0.89829470920000 0.52429547504860 0.81421793068562 15.999 31 O 0.60170529080000 0.02429547504860 0.68578206931438 15.999 32 O 0.89829470920000 0.97570452495140 0.68578206931438 15.999 33 S 0.91383907087141 0.08347961581600 0.76445141686687 32.065 34 S 0.58616092912859 0.91652038418400 0.76445141686687 32.065 35 S 0.91383907087141 0.41652038418400 0.73554858313313 32.065 36 S 0.58616092912859 0.58347961581600 0.73554858313313 32.065 37 S 0.08616092912859 0.91652038418400 0.23554858313313 32.065 38 S 0.41383907087141 0.08347961581600 0.23554858313313 32.065 39 S 0.08616092912859 0.58347961581600 0.26445141686687 32.065 40 S 0.41383907087141 0.41652038418400 0.26445141686687 32.065 41 Rb 0.07723777198721 0.25000000000000 0.25000000000000 85.468 42 Rb 0.42276222801279 0.75000000000000 0.25000000000000 85.468 43 Rb 0.92276222801279 0.75000000000000 0.75000000000000 85.468 44 Rb 0.57723777198721 0.25000000000000 0.75000000000000 85.468 45 Dy 0.75000000000000 0.50000000000000 0.17152626824206 162.500 46 Dy 0.75000000000000 0.00000000000000 0.32847373175794 162.500 47 Dy 0.25000000000000 0.50000000000000 0.82847373175794 162.500 48 Dy 0.25000000000000 0.00000000000000 0.67152626824206 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.434173930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.196450670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.580522340000000 Atomic positions (fractional): 1 O 0.84663075582172 0.10062865180786 0.00703942710822 15.999 > 1 2 O 0.84663075582172 0.10062865180786 0.50703942710822 15.999 > 1 3 O 0.65336924417828 0.89937134819214 0.00703942710822 15.999 > 3 4 O 0.65336924417828 0.89937134819214 0.50703942710822 15.999 > 3 5 O 0.84663075582172 0.39937134819213 0.24296057289178 15.999 > 5 6 O 0.84663075582172 0.39937134819213 0.74296057289178 15.999 > 5 7 O 0.65336924417828 0.60062865180786 0.24296057289178 15.999 > 7 8 O 0.65336924417828 0.60062865180786 0.74296057289178 15.999 > 7 9 O 0.15336924417827 0.89937134819214 0.49296057289178 15.999 > 9 10 O 0.15336924417827 0.89937134819214 0.99296057289178 15.999 > 9 11 O 0.34663075582172 0.10062865180786 0.49296057289178 15.999 > 11 12 O 0.34663075582172 0.10062865180786 0.99296057289178 15.999 > 11 13 O 0.15336924417827 0.60062865180786 0.25703942710822 15.999 > 13 14 O 0.15336924417827 0.60062865180786 0.75703942710822 15.999 > 13 15 O 0.34663075582172 0.39937134819213 0.25703942710822 15.999 > 15 16 O 0.34663075582172 0.39937134819213 0.75703942710822 15.999 > 15 17 O 0.84233601526868 0.14388219347398 0.28151253361181 15.999 > 17 18 O 0.84233601526868 0.14388219347398 0.78151253361181 15.999 > 17 19 O 0.65766398473132 0.85611780652602 0.28151253361181 15.999 > 19 20 O 0.65766398473132 0.85611780652602 0.78151253361181 15.999 > 19 21 O 0.84233601526868 0.35611780652602 0.46848746638819 15.999 > 21 22 O 0.84233601526868 0.35611780652602 0.96848746638819 15.999 > 21 23 O 0.65766398473132 0.64388219347398 0.46848746638819 15.999 > 23 24 O 0.65766398473132 0.64388219347398 0.96848746638819 15.999 > 23 25 O 0.15766398473132 0.85611780652602 0.21848746638819 15.999 > 25 26 O 0.15766398473132 0.85611780652602 0.71848746638819 15.999 > 25 27 O 0.34233601526868 0.14388219347398 0.21848746638819 15.999 > 27 28 O 0.34233601526868 0.14388219347398 0.71848746638819 15.999 > 27 29 O 0.15766398473132 0.64388219347398 0.03151253361181 15.999 > 29 30 O 0.15766398473132 0.64388219347398 0.53151253361181 15.999 > 29 31 O 0.34233601526868 0.35611780652602 0.03151253361181 15.999 > 31 32 O 0.34233601526868 0.35611780652602 0.53151253361181 15.999 > 31 33 O 0.56607758964633 0.38869972607319 0.14127413054907 15.999 > 33 34 O 0.56607758964633 0.38869972607319 0.64127413054907 15.999 > 33 35 O 0.93392241035367 0.61130027392681 0.14127413054907 15.999 > 35 36 O 0.93392241035367 0.61130027392681 0.64127413054907 15.999 > 35 37 O 0.56607758964633 0.11130027392681 0.10872586945093 15.999 > 37 38 O 0.56607758964633 0.11130027392681 0.60872586945093 15.999 > 37 39 O 0.93392241035367 0.88869972607319 0.10872586945093 15.999 > 39 40 O 0.93392241035367 0.88869972607319 0.60872586945093 15.999 > 39 41 O 0.43392241035367 0.61130027392681 0.35872586945093 15.999 > 41 42 O 0.43392241035367 0.61130027392681 0.85872586945093 15.999 > 41 43 O 0.06607758964633 0.38869972607319 0.35872586945093 15.999 > 43 44 O 0.06607758964633 0.38869972607319 0.85872586945093 15.999 > 43 45 O 0.43392241035367 0.88869972607319 0.39127413054907 15.999 > 45 46 O 0.43392241035367 0.88869972607319 0.89127413054907 15.999 > 45 47 O 0.06607758964633 0.11130027392681 0.39127413054907 15.999 > 47 48 O 0.06607758964633 0.11130027392681 0.89127413054907 15.999 > 47 49 O 0.39829470920000 0.52429547504860 0.09289103465719 15.999 > 49 50 O 0.39829470920000 0.52429547504860 0.59289103465719 15.999 > 49 51 O 0.10170529080000 0.47570452495140 0.09289103465719 15.999 > 51 52 O 0.10170529080000 0.47570452495140 0.59289103465719 15.999 > 51 53 O 0.39829470920000 0.97570452495140 0.15710896534281 15.999 > 53 54 O 0.39829470920000 0.97570452495140 0.65710896534281 15.999 > 53 55 O 0.10170529080000 0.02429547504860 0.15710896534281 15.999 > 55 56 O 0.10170529080000 0.02429547504860 0.65710896534281 15.999 > 55 57 O 0.60170529080000 0.47570452495140 0.40710896534281 15.999 > 57 58 O 0.60170529080000 0.47570452495140 0.90710896534281 15.999 > 57 59 O 0.89829470920000 0.52429547504860 0.40710896534281 15.999 > 59 60 O 0.89829470920000 0.52429547504860 0.90710896534281 15.999 > 59 61 O 0.60170529080000 0.02429547504860 0.34289103465719 15.999 > 61 62 O 0.60170529080000 0.02429547504860 0.84289103465719 15.999 > 61 63 O 0.89829470920000 0.97570452495140 0.34289103465719 15.999 > 63 64 O 0.89829470920000 0.97570452495140 0.84289103465719 15.999 > 63 65 S 0.91383907087141 0.08347961581600 0.38222570843344 32.065 > 65 66 S 0.91383907087141 0.08347961581600 0.88222570843344 32.065 > 65 67 S 0.58616092912859 0.91652038418400 0.38222570843344 32.065 > 67 68 S 0.58616092912859 0.91652038418400 0.88222570843344 32.065 > 67 69 S 0.91383907087141 0.41652038418400 0.36777429156656 32.065 > 69 70 S 0.91383907087141 0.41652038418400 0.86777429156656 32.065 > 69 71 S 0.58616092912859 0.58347961581600 0.36777429156656 32.065 > 71 72 S 0.58616092912859 0.58347961581600 0.86777429156656 32.065 > 71 73 S 0.08616092912859 0.91652038418400 0.11777429156657 32.065 > 73 74 S 0.08616092912859 0.91652038418400 0.61777429156657 32.065 > 73 75 S 0.41383907087141 0.08347961581600 0.11777429156657 32.065 > 75 76 S 0.41383907087141 0.08347961581600 0.61777429156657 32.065 > 75 77 S 0.08616092912859 0.58347961581600 0.13222570843344 32.065 > 77 78 S 0.08616092912859 0.58347961581600 0.63222570843344 32.065 > 77 79 S 0.41383907087141 0.41652038418400 0.13222570843344 32.065 > 79 80 S 0.41383907087141 0.41652038418400 0.63222570843344 32.065 > 79 81 Rb 0.07723777198721 0.25000000000000 0.12500000000000 85.468 > 81 82 Rb 0.07723777198721 0.25000000000000 0.62500000000000 85.468 > 81 83 Rb 0.42276222801279 0.75000000000000 0.12500000000000 85.468 > 83 84 Rb 0.42276222801279 0.75000000000000 0.62500000000000 85.468 > 83 85 Rb 0.92276222801279 0.75000000000000 0.37500000000000 85.468 > 85 86 Rb 0.92276222801279 0.75000000000000 0.87500000000000 85.468 > 85 87 Rb 0.57723777198721 0.25000000000000 0.37500000000000 85.468 > 87 88 Rb 0.57723777198721 0.25000000000000 0.87500000000000 85.468 > 87 89 Dy 0.75000000000000 0.50000000000000 0.08576313412103 162.500 > 89 90 Dy 0.75000000000000 0.50000000000000 0.58576313412103 162.500 > 89 91 Dy 0.75000000000000 0.00000000000000 0.16423686587897 162.500 > 91 92 Dy 0.75000000000000 0.00000000000000 0.66423686587897 162.500 > 91 93 Dy 0.25000000000000 0.50000000000000 0.41423686587897 162.500 > 93 94 Dy 0.25000000000000 0.50000000000000 0.91423686587897 162.500 > 93 95 Dy 0.25000000000000 0.00000000000000 0.33576313412103 162.500 > 95 96 Dy 0.25000000000000 0.00000000000000 0.83576313412103 162.500 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.8480720 0.0000000 0.0000000 0.0000000 2.4812935 0.0000000 0.0000000 0.0000000 2.9110197 -------------------------- Born effective charges -------------------------- 1 O -1.3430697 -0.1365198 0.6856349 -0.0654356 -0.8980373 0.1015040 0.7636232 0.1921830 -2.5879981 2 O -1.3430697 -0.1365198 -0.6856349 -0.0654356 -0.8980373 -0.1015040 -0.7636232 -0.1921830 -2.5879981 3 O -1.3430697 0.1365198 -0.6856349 0.0654356 -0.8980373 0.1015040 -0.7636232 0.1921830 -2.5879981 4 O -1.3430697 0.1365198 0.6856349 0.0654356 -0.8980373 -0.1015040 0.7636232 -0.1921830 -2.5879981 5 O -1.3430697 -0.1365198 0.6856349 -0.0654356 -0.8980373 0.1015040 0.7636232 0.1921830 -2.5879981 6 O -1.3430697 -0.1365198 -0.6856349 -0.0654356 -0.8980373 -0.1015040 -0.7636232 -0.1921830 -2.5879981 7 O -1.3430697 0.1365198 -0.6856349 0.0654356 -0.8980373 0.1015040 -0.7636232 0.1921830 -2.5879981 8 O -1.3430697 0.1365198 0.6856349 0.0654356 -0.8980373 -0.1015040 0.7636232 -0.1921830 -2.5879981 9 O -1.3308593 0.0632991 -0.4745502 0.0994149 -1.2552939 0.1854380 -0.4380369 0.0919375 -1.7188387 10 O -1.3308593 0.0632991 0.4745502 0.0994149 -1.2552939 -0.1854380 0.4380369 -0.0919375 -1.7188387 11 O -1.3308593 -0.0632991 0.4745502 -0.0994149 -1.2552939 0.1854380 0.4380369 0.0919375 -1.7188387 12 O -1.3308593 -0.0632991 -0.4745502 -0.0994149 -1.2552939 -0.1854380 -0.4380369 -0.0919375 -1.7188387 13 O -1.3308593 0.0632991 -0.4745502 0.0994149 -1.2552939 0.1854380 -0.4380369 0.0919375 -1.7188387 14 O -1.3308593 0.0632991 0.4745502 0.0994149 -1.2552939 -0.1854380 0.4380369 -0.0919375 -1.7188387 15 O -1.3308593 -0.0632991 0.4745502 -0.0994149 -1.2552939 0.1854380 0.4380369 0.0919375 -1.7188387 16 O -1.3308593 -0.0632991 -0.4745502 -0.0994149 -1.2552939 -0.1854380 -0.4380369 -0.0919375 -1.7188387 17 O -2.6161605 -0.0682803 0.0555848 0.0108243 -0.9617895 0.0966416 0.0816154 0.1416853 -1.0682216 18 O -2.6161605 -0.0682803 -0.0555848 0.0108243 -0.9617895 -0.0966416 -0.0816154 -0.1416853 -1.0682216 19 O -2.6161605 0.0682803 -0.0555848 -0.0108243 -0.9617895 0.0966416 -0.0816154 0.1416853 -1.0682216 20 O -2.6161605 0.0682803 0.0555848 -0.0108243 -0.9617895 -0.0966416 0.0816154 -0.1416853 -1.0682216 21 O -2.6161605 -0.0682803 0.0555848 0.0108243 -0.9617895 0.0966416 0.0816154 0.1416853 -1.0682216 22 O -2.6161605 -0.0682803 -0.0555848 0.0108243 -0.9617895 -0.0966416 -0.0816154 -0.1416853 -1.0682216 23 O -2.6161605 0.0682803 -0.0555848 -0.0108243 -0.9617895 0.0966416 -0.0816154 0.1416853 -1.0682216 24 O -2.6161605 0.0682803 0.0555848 -0.0108243 -0.9617895 -0.0966416 0.0816154 -0.1416853 -1.0682216 25 O -1.2613915 0.1345474 -0.3068167 0.1249487 -1.4553405 0.2932980 -0.2903419 0.3963309 -1.4445273 26 O -1.2613915 0.1345474 0.3068167 0.1249487 -1.4553405 -0.2932980 0.2903419 -0.3963309 -1.4445273 27 O -1.2613915 -0.1345474 0.3068167 -0.1249487 -1.4553405 0.2932980 0.2903419 0.3963309 -1.4445273 28 O -1.2613915 -0.1345474 -0.3068167 -0.1249487 -1.4553405 -0.2932980 -0.2903419 -0.3963309 -1.4445273 29 O -1.2613915 0.1345474 -0.3068167 0.1249487 -1.4553405 0.2932980 -0.2903419 0.3963309 -1.4445273 30 O -1.2613915 0.1345474 0.3068167 0.1249487 -1.4553405 -0.2932980 0.2903419 -0.3963309 -1.4445273 31 O -1.2613915 -0.1345474 0.3068167 -0.1249487 -1.4553405 0.2932980 0.2903419 0.3963309 -1.4445273 32 O -1.2613915 -0.1345474 -0.3068167 -0.1249487 -1.4553405 -0.2932980 -0.2903419 -0.3963309 -1.4445273 33 S 3.7366295 0.1964679 0.0924475 0.0273003 2.5225866 -0.0138601 -0.1214926 0.3216328 3.9253039 34 S 3.7366295 0.1964679 -0.0924475 0.0273003 2.5225866 0.0138601 0.1214926 -0.3216328 3.9253039 35 S 3.7366295 -0.1964679 -0.0924475 -0.0273003 2.5225866 -0.0138601 0.1214926 0.3216328 3.9253039 36 S 3.7366295 -0.1964679 0.0924475 -0.0273003 2.5225866 0.0138601 -0.1214926 -0.3216328 3.9253039 37 S 3.7366295 0.1964679 0.0924475 0.0273003 2.5225866 -0.0138601 -0.1214926 0.3216328 3.9253039 38 S 3.7366295 0.1964679 -0.0924475 0.0273003 2.5225866 0.0138601 0.1214926 -0.3216328 3.9253039 39 S 3.7366295 -0.1964679 -0.0924475 -0.0273003 2.5225866 -0.0138601 0.1214926 0.3216328 3.9253039 40 S 3.7366295 -0.1964679 0.0924475 -0.0273003 2.5225866 0.0138601 -0.1214926 -0.3216328 3.9253039 41 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 -0.0217647 0.0000000 0.0320452 1.1685104 42 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 0.0217647 0.0000000 -0.0320452 1.1685104 43 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 -0.0217647 0.0000000 0.0320452 1.1685104 44 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 0.0217647 0.0000000 -0.0320452 1.1685104 45 Dy 4.4176471 0.1257586 0.0000000 -0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 46 Dy 4.4176471 -0.1257586 0.0000000 0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 47 Dy 4.4176471 0.1257586 0.0000000 -0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 48 Dy 4.4176471 -0.1257586 0.0000000 0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 49, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 81, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 89, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] 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: -0.00000001 (zy) -0.00000001 (zy) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:08:32]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:08:32]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pnna (52) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 9.434173930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.196450670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 5.290261170000000 Atomic positions (fractional): 1 O 0.84663075582172 0.10062865180786 0.01407885421644 15.999 2 O 0.65336924417828 0.89937134819214 0.01407885421644 15.999 3 O 0.84663075582172 0.39937134819213 0.48592114578356 15.999 4 O 0.65336924417828 0.60062865180786 0.48592114578356 15.999 5 O 0.15336924417827 0.89937134819214 0.98592114578356 15.999 6 O 0.34663075582172 0.10062865180786 0.98592114578356 15.999 7 O 0.15336924417827 0.60062865180786 0.51407885421644 15.999 8 O 0.34663075582172 0.39937134819213 0.51407885421644 15.999 9 O 0.84233601526868 0.14388219347398 0.56302506722362 15.999 10 O 0.65766398473132 0.85611780652602 0.56302506722362 15.999 11 O 0.84233601526868 0.35611780652602 0.93697493277638 15.999 12 O 0.65766398473132 0.64388219347398 0.93697493277638 15.999 13 O 0.15766398473132 0.85611780652602 0.43697493277638 15.999 14 O 0.34233601526868 0.14388219347398 0.43697493277638 15.999 15 O 0.15766398473132 0.64388219347398 0.06302506722362 15.999 16 O 0.34233601526868 0.35611780652602 0.06302506722362 15.999 17 O 0.56607758964633 0.38869972607319 0.28254826109814 15.999 18 O 0.93392241035367 0.61130027392681 0.28254826109814 15.999 19 O 0.56607758964633 0.11130027392681 0.21745173890186 15.999 20 O 0.93392241035367 0.88869972607319 0.21745173890186 15.999 21 O 0.43392241035367 0.61130027392681 0.71745173890186 15.999 22 O 0.06607758964633 0.38869972607319 0.71745173890186 15.999 23 O 0.43392241035367 0.88869972607319 0.78254826109814 15.999 24 O 0.06607758964633 0.11130027392681 0.78254826109814 15.999 25 O 0.39829470920000 0.52429547504860 0.18578206931438 15.999 26 O 0.10170529080000 0.47570452495140 0.18578206931438 15.999 27 O 0.39829470920000 0.97570452495140 0.31421793068562 15.999 28 O 0.10170529080000 0.02429547504860 0.31421793068562 15.999 29 O 0.60170529080000 0.47570452495140 0.81421793068562 15.999 30 O 0.89829470920000 0.52429547504860 0.81421793068562 15.999 31 O 0.60170529080000 0.02429547504860 0.68578206931438 15.999 32 O 0.89829470920000 0.97570452495140 0.68578206931438 15.999 33 S 0.91383907087141 0.08347961581600 0.76445141686687 32.065 34 S 0.58616092912859 0.91652038418400 0.76445141686687 32.065 35 S 0.91383907087141 0.41652038418400 0.73554858313313 32.065 36 S 0.58616092912859 0.58347961581600 0.73554858313313 32.065 37 S 0.08616092912859 0.91652038418400 0.23554858313313 32.065 38 S 0.41383907087141 0.08347961581600 0.23554858313313 32.065 39 S 0.08616092912859 0.58347961581600 0.26445141686687 32.065 40 S 0.41383907087141 0.41652038418400 0.26445141686687 32.065 41 Rb 0.07723777198721 0.25000000000000 0.25000000000000 85.468 42 Rb 0.42276222801279 0.75000000000000 0.25000000000000 85.468 43 Rb 0.92276222801279 0.75000000000000 0.75000000000000 85.468 44 Rb 0.57723777198721 0.25000000000000 0.75000000000000 85.468 45 Dy 0.75000000000000 0.50000000000000 0.17152626824206 162.500 46 Dy 0.75000000000000 0.00000000000000 0.32847373175794 162.500 47 Dy 0.25000000000000 0.50000000000000 0.82847373175794 162.500 48 Dy 0.25000000000000 0.00000000000000 0.67152626824206 162.500 -------------------------------- supercell --------------------------------- Lattice vectors: a 9.434173930000000 0.000000000000000 0.000000000000000 b 0.000000000000000 13.196450670000004 0.000000000000000 c 0.000000000000000 0.000000000000000 10.580522340000000 Atomic positions (fractional): 1 O 0.84663075582172 0.10062865180786 0.00703942710822 15.999 > 1 2 O 0.84663075582172 0.10062865180786 0.50703942710822 15.999 > 1 3 O 0.65336924417828 0.89937134819214 0.00703942710822 15.999 > 3 4 O 0.65336924417828 0.89937134819214 0.50703942710822 15.999 > 3 5 O 0.84663075582172 0.39937134819213 0.24296057289178 15.999 > 5 6 O 0.84663075582172 0.39937134819213 0.74296057289178 15.999 > 5 7 O 0.65336924417828 0.60062865180786 0.24296057289178 15.999 > 7 8 O 0.65336924417828 0.60062865180786 0.74296057289178 15.999 > 7 9 O 0.15336924417827 0.89937134819214 0.49296057289178 15.999 > 9 10 O 0.15336924417827 0.89937134819214 0.99296057289178 15.999 > 9 11 O 0.34663075582172 0.10062865180786 0.49296057289178 15.999 > 11 12 O 0.34663075582172 0.10062865180786 0.99296057289178 15.999 > 11 13 O 0.15336924417827 0.60062865180786 0.25703942710822 15.999 > 13 14 O 0.15336924417827 0.60062865180786 0.75703942710822 15.999 > 13 15 O 0.34663075582172 0.39937134819213 0.25703942710822 15.999 > 15 16 O 0.34663075582172 0.39937134819213 0.75703942710822 15.999 > 15 17 O 0.84233601526868 0.14388219347398 0.28151253361181 15.999 > 17 18 O 0.84233601526868 0.14388219347398 0.78151253361181 15.999 > 17 19 O 0.65766398473132 0.85611780652602 0.28151253361181 15.999 > 19 20 O 0.65766398473132 0.85611780652602 0.78151253361181 15.999 > 19 21 O 0.84233601526868 0.35611780652602 0.46848746638819 15.999 > 21 22 O 0.84233601526868 0.35611780652602 0.96848746638819 15.999 > 21 23 O 0.65766398473132 0.64388219347398 0.46848746638819 15.999 > 23 24 O 0.65766398473132 0.64388219347398 0.96848746638819 15.999 > 23 25 O 0.15766398473132 0.85611780652602 0.21848746638819 15.999 > 25 26 O 0.15766398473132 0.85611780652602 0.71848746638819 15.999 > 25 27 O 0.34233601526868 0.14388219347398 0.21848746638819 15.999 > 27 28 O 0.34233601526868 0.14388219347398 0.71848746638819 15.999 > 27 29 O 0.15766398473132 0.64388219347398 0.03151253361181 15.999 > 29 30 O 0.15766398473132 0.64388219347398 0.53151253361181 15.999 > 29 31 O 0.34233601526868 0.35611780652602 0.03151253361181 15.999 > 31 32 O 0.34233601526868 0.35611780652602 0.53151253361181 15.999 > 31 33 O 0.56607758964633 0.38869972607319 0.14127413054907 15.999 > 33 34 O 0.56607758964633 0.38869972607319 0.64127413054907 15.999 > 33 35 O 0.93392241035367 0.61130027392681 0.14127413054907 15.999 > 35 36 O 0.93392241035367 0.61130027392681 0.64127413054907 15.999 > 35 37 O 0.56607758964633 0.11130027392681 0.10872586945093 15.999 > 37 38 O 0.56607758964633 0.11130027392681 0.60872586945093 15.999 > 37 39 O 0.93392241035367 0.88869972607319 0.10872586945093 15.999 > 39 40 O 0.93392241035367 0.88869972607319 0.60872586945093 15.999 > 39 41 O 0.43392241035367 0.61130027392681 0.35872586945093 15.999 > 41 42 O 0.43392241035367 0.61130027392681 0.85872586945093 15.999 > 41 43 O 0.06607758964633 0.38869972607319 0.35872586945093 15.999 > 43 44 O 0.06607758964633 0.38869972607319 0.85872586945093 15.999 > 43 45 O 0.43392241035367 0.88869972607319 0.39127413054907 15.999 > 45 46 O 0.43392241035367 0.88869972607319 0.89127413054907 15.999 > 45 47 O 0.06607758964633 0.11130027392681 0.39127413054907 15.999 > 47 48 O 0.06607758964633 0.11130027392681 0.89127413054907 15.999 > 47 49 O 0.39829470920000 0.52429547504860 0.09289103465719 15.999 > 49 50 O 0.39829470920000 0.52429547504860 0.59289103465719 15.999 > 49 51 O 0.10170529080000 0.47570452495140 0.09289103465719 15.999 > 51 52 O 0.10170529080000 0.47570452495140 0.59289103465719 15.999 > 51 53 O 0.39829470920000 0.97570452495140 0.15710896534281 15.999 > 53 54 O 0.39829470920000 0.97570452495140 0.65710896534281 15.999 > 53 55 O 0.10170529080000 0.02429547504860 0.15710896534281 15.999 > 55 56 O 0.10170529080000 0.02429547504860 0.65710896534281 15.999 > 55 57 O 0.60170529080000 0.47570452495140 0.40710896534281 15.999 > 57 58 O 0.60170529080000 0.47570452495140 0.90710896534281 15.999 > 57 59 O 0.89829470920000 0.52429547504860 0.40710896534281 15.999 > 59 60 O 0.89829470920000 0.52429547504860 0.90710896534281 15.999 > 59 61 O 0.60170529080000 0.02429547504860 0.34289103465719 15.999 > 61 62 O 0.60170529080000 0.02429547504860 0.84289103465719 15.999 > 61 63 O 0.89829470920000 0.97570452495140 0.34289103465719 15.999 > 63 64 O 0.89829470920000 0.97570452495140 0.84289103465719 15.999 > 63 65 S 0.91383907087141 0.08347961581600 0.38222570843344 32.065 > 65 66 S 0.91383907087141 0.08347961581600 0.88222570843344 32.065 > 65 67 S 0.58616092912859 0.91652038418400 0.38222570843344 32.065 > 67 68 S 0.58616092912859 0.91652038418400 0.88222570843344 32.065 > 67 69 S 0.91383907087141 0.41652038418400 0.36777429156656 32.065 > 69 70 S 0.91383907087141 0.41652038418400 0.86777429156656 32.065 > 69 71 S 0.58616092912859 0.58347961581600 0.36777429156656 32.065 > 71 72 S 0.58616092912859 0.58347961581600 0.86777429156656 32.065 > 71 73 S 0.08616092912859 0.91652038418400 0.11777429156657 32.065 > 73 74 S 0.08616092912859 0.91652038418400 0.61777429156657 32.065 > 73 75 S 0.41383907087141 0.08347961581600 0.11777429156657 32.065 > 75 76 S 0.41383907087141 0.08347961581600 0.61777429156657 32.065 > 75 77 S 0.08616092912859 0.58347961581600 0.13222570843344 32.065 > 77 78 S 0.08616092912859 0.58347961581600 0.63222570843344 32.065 > 77 79 S 0.41383907087141 0.41652038418400 0.13222570843344 32.065 > 79 80 S 0.41383907087141 0.41652038418400 0.63222570843344 32.065 > 79 81 Rb 0.07723777198721 0.25000000000000 0.12500000000000 85.468 > 81 82 Rb 0.07723777198721 0.25000000000000 0.62500000000000 85.468 > 81 83 Rb 0.42276222801279 0.75000000000000 0.12500000000000 85.468 > 83 84 Rb 0.42276222801279 0.75000000000000 0.62500000000000 85.468 > 83 85 Rb 0.92276222801279 0.75000000000000 0.37500000000000 85.468 > 85 86 Rb 0.92276222801279 0.75000000000000 0.87500000000000 85.468 > 85 87 Rb 0.57723777198721 0.25000000000000 0.37500000000000 85.468 > 87 88 Rb 0.57723777198721 0.25000000000000 0.87500000000000 85.468 > 87 89 Dy 0.75000000000000 0.50000000000000 0.08576313412103 162.500 > 89 90 Dy 0.75000000000000 0.50000000000000 0.58576313412103 162.500 > 89 91 Dy 0.75000000000000 0.00000000000000 0.16423686587897 162.500 > 91 92 Dy 0.75000000000000 0.00000000000000 0.66423686587897 162.500 > 91 93 Dy 0.25000000000000 0.50000000000000 0.41423686587897 162.500 > 93 94 Dy 0.25000000000000 0.50000000000000 0.91423686587897 162.500 > 93 95 Dy 0.25000000000000 0.00000000000000 0.33576313412103 162.500 > 95 96 Dy 0.25000000000000 0.00000000000000 0.83576313412103 162.500 > 95 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.8480720 0.0000000 0.0000000 0.0000000 2.4812935 0.0000000 0.0000000 0.0000000 2.9110197 -------------------------- Born effective charges -------------------------- 1 O -1.3430697 -0.1365198 0.6856349 -0.0654356 -0.8980373 0.1015040 0.7636232 0.1921830 -2.5879981 2 O -1.3430697 -0.1365198 -0.6856349 -0.0654356 -0.8980373 -0.1015040 -0.7636232 -0.1921830 -2.5879981 3 O -1.3430697 0.1365198 -0.6856349 0.0654356 -0.8980373 0.1015040 -0.7636232 0.1921830 -2.5879981 4 O -1.3430697 0.1365198 0.6856349 0.0654356 -0.8980373 -0.1015040 0.7636232 -0.1921830 -2.5879981 5 O -1.3430697 -0.1365198 0.6856349 -0.0654356 -0.8980373 0.1015040 0.7636232 0.1921830 -2.5879981 6 O -1.3430697 -0.1365198 -0.6856349 -0.0654356 -0.8980373 -0.1015040 -0.7636232 -0.1921830 -2.5879981 7 O -1.3430697 0.1365198 -0.6856349 0.0654356 -0.8980373 0.1015040 -0.7636232 0.1921830 -2.5879981 8 O -1.3430697 0.1365198 0.6856349 0.0654356 -0.8980373 -0.1015040 0.7636232 -0.1921830 -2.5879981 9 O -1.3308593 0.0632991 -0.4745502 0.0994149 -1.2552939 0.1854380 -0.4380369 0.0919375 -1.7188387 10 O -1.3308593 0.0632991 0.4745502 0.0994149 -1.2552939 -0.1854380 0.4380369 -0.0919375 -1.7188387 11 O -1.3308593 -0.0632991 0.4745502 -0.0994149 -1.2552939 0.1854380 0.4380369 0.0919375 -1.7188387 12 O -1.3308593 -0.0632991 -0.4745502 -0.0994149 -1.2552939 -0.1854380 -0.4380369 -0.0919375 -1.7188387 13 O -1.3308593 0.0632991 -0.4745502 0.0994149 -1.2552939 0.1854380 -0.4380369 0.0919375 -1.7188387 14 O -1.3308593 0.0632991 0.4745502 0.0994149 -1.2552939 -0.1854380 0.4380369 -0.0919375 -1.7188387 15 O -1.3308593 -0.0632991 0.4745502 -0.0994149 -1.2552939 0.1854380 0.4380369 0.0919375 -1.7188387 16 O -1.3308593 -0.0632991 -0.4745502 -0.0994149 -1.2552939 -0.1854380 -0.4380369 -0.0919375 -1.7188387 17 O -2.6161605 -0.0682803 0.0555848 0.0108243 -0.9617895 0.0966416 0.0816154 0.1416853 -1.0682216 18 O -2.6161605 -0.0682803 -0.0555848 0.0108243 -0.9617895 -0.0966416 -0.0816154 -0.1416853 -1.0682216 19 O -2.6161605 0.0682803 -0.0555848 -0.0108243 -0.9617895 0.0966416 -0.0816154 0.1416853 -1.0682216 20 O -2.6161605 0.0682803 0.0555848 -0.0108243 -0.9617895 -0.0966416 0.0816154 -0.1416853 -1.0682216 21 O -2.6161605 -0.0682803 0.0555848 0.0108243 -0.9617895 0.0966416 0.0816154 0.1416853 -1.0682216 22 O -2.6161605 -0.0682803 -0.0555848 0.0108243 -0.9617895 -0.0966416 -0.0816154 -0.1416853 -1.0682216 23 O -2.6161605 0.0682803 -0.0555848 -0.0108243 -0.9617895 0.0966416 -0.0816154 0.1416853 -1.0682216 24 O -2.6161605 0.0682803 0.0555848 -0.0108243 -0.9617895 -0.0966416 0.0816154 -0.1416853 -1.0682216 25 O -1.2613915 0.1345474 -0.3068167 0.1249487 -1.4553405 0.2932980 -0.2903419 0.3963309 -1.4445273 26 O -1.2613915 0.1345474 0.3068167 0.1249487 -1.4553405 -0.2932980 0.2903419 -0.3963309 -1.4445273 27 O -1.2613915 -0.1345474 0.3068167 -0.1249487 -1.4553405 0.2932980 0.2903419 0.3963309 -1.4445273 28 O -1.2613915 -0.1345474 -0.3068167 -0.1249487 -1.4553405 -0.2932980 -0.2903419 -0.3963309 -1.4445273 29 O -1.2613915 0.1345474 -0.3068167 0.1249487 -1.4553405 0.2932980 -0.2903419 0.3963309 -1.4445273 30 O -1.2613915 0.1345474 0.3068167 0.1249487 -1.4553405 -0.2932980 0.2903419 -0.3963309 -1.4445273 31 O -1.2613915 -0.1345474 0.3068167 -0.1249487 -1.4553405 0.2932980 0.2903419 0.3963309 -1.4445273 32 O -1.2613915 -0.1345474 -0.3068167 -0.1249487 -1.4553405 -0.2932980 -0.2903419 -0.3963309 -1.4445273 33 S 3.7366295 0.1964679 0.0924475 0.0273003 2.5225866 -0.0138601 -0.1214926 0.3216328 3.9253039 34 S 3.7366295 0.1964679 -0.0924475 0.0273003 2.5225866 0.0138601 0.1214926 -0.3216328 3.9253039 35 S 3.7366295 -0.1964679 -0.0924475 -0.0273003 2.5225866 -0.0138601 0.1214926 0.3216328 3.9253039 36 S 3.7366295 -0.1964679 0.0924475 -0.0273003 2.5225866 0.0138601 -0.1214926 -0.3216328 3.9253039 37 S 3.7366295 0.1964679 0.0924475 0.0273003 2.5225866 -0.0138601 -0.1214926 0.3216328 3.9253039 38 S 3.7366295 0.1964679 -0.0924475 0.0273003 2.5225866 0.0138601 0.1214926 -0.3216328 3.9253039 39 S 3.7366295 -0.1964679 -0.0924475 -0.0273003 2.5225866 -0.0138601 0.1214926 0.3216328 3.9253039 40 S 3.7366295 -0.1964679 0.0924475 -0.0273003 2.5225866 0.0138601 -0.1214926 -0.3216328 3.9253039 41 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 -0.0217647 0.0000000 0.0320452 1.1685104 42 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 0.0217647 0.0000000 -0.0320452 1.1685104 43 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 -0.0217647 0.0000000 0.0320452 1.1685104 44 Rb 1.2120558 0.0000000 0.0000000 0.0000000 1.6343678 0.0217647 0.0000000 -0.0320452 1.1685104 45 Dy 4.4176471 0.1257586 0.0000000 -0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 46 Dy 4.4176471 -0.1257586 0.0000000 0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 47 Dy 4.4176471 0.1257586 0.0000000 -0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 48 Dy 4.4176471 -0.1257586 0.0000000 0.1243297 2.4613813 0.0000000 0.0000000 0.0000000 4.6200534 ---------------------------------------------------------------------------- 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 ... [ 5 4 9 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.48, Number of G-points: 301, Lambda: 0.08 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/45) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.878 ( 0.000 0.000 0.000) 0.000 0.953 ( 0.000 0.000 0.000) 0.000 1.618 ( 0.000 0.000 0.000) 0.000 1.675 ( 0.000 0.000 0.000) 0.000 1.757 ( 0.000 0.000 0.000) 0.000 1.839 ( 0.000 0.000 0.000) 0.000 1.847 ( 0.000 0.000 0.000) 0.000 1.852 ( 0.000 0.000 0.000) 0.000 2.010 ( 0.000 0.000 0.000) 0.000 2.078 ( 0.000 0.000 0.000) 0.000 2.108 ( 0.000 0.000 0.000) 0.000 2.201 ( 0.000 0.000 0.000) 0.000 2.226 ( 0.000 0.000 0.000) 0.000 2.349 ( 0.000 0.000 0.000) 0.000 2.554 ( 0.000 0.000 0.000) 0.000 2.589 ( 0.000 0.000 0.000) 0.000 2.602 ( 0.000 0.000 0.000) 0.000 2.715 ( 0.000 0.000 0.000) 0.000 2.862 ( 0.000 0.000 0.000) 0.000 2.903 ( 0.000 0.000 0.000) 0.000 3.029 ( 0.000 0.000 0.000) 0.000 3.510 ( 0.000 0.000 0.000) 0.000 3.512 ( 0.000 0.000 0.000) 0.000 3.754 ( 0.000 0.000 0.000) 0.000 3.962 ( 0.000 0.000 0.000) 0.000 4.466 ( 0.000 0.000 0.000) 0.000 4.490 ( 0.000 0.000 0.000) 0.000 4.555 ( 0.000 0.000 0.000) 0.000 4.581 ( 0.000 0.000 0.000) 0.000 4.589 ( 0.000 0.000 0.000) 0.000 4.634 ( 0.000 0.000 0.000) 0.000 4.854 ( 0.000 0.000 0.000) 0.000 5.019 ( 0.000 0.000 0.000) 0.000 5.102 ( 0.000 0.000 0.000) 0.000 5.180 ( 0.000 0.000 0.000) 0.000 5.242 ( 0.000 0.000 0.000) 0.000 5.271 ( 0.000 0.000 0.000) 0.000 5.350 ( 0.000 0.000 0.000) 0.000 5.379 ( 0.000 0.000 0.000) 0.000 5.404 ( 0.000 0.000 0.000) 0.000 5.455 ( 0.000 0.000 0.000) 0.000 5.495 ( 0.000 0.000 0.000) 0.000 5.606 ( 0.000 0.000 0.000) 0.000 5.648 ( 0.000 0.000 0.000) 0.000 5.667 ( 0.000 0.000 0.000) 0.000 5.734 ( 0.000 0.000 0.000) 0.000 5.773 ( 0.000 0.000 0.000) 0.000 5.920 ( 0.000 0.000 0.000) 0.000 5.933 ( 0.000 0.000 0.000) 0.000 6.049 ( 0.000 0.000 0.000) 0.000 6.087 ( 0.000 0.000 0.000) 0.000 6.366 ( 0.000 0.000 0.000) 0.000 6.387 ( 0.000 0.000 0.000) 0.000 6.416 ( 0.000 0.000 0.000) 0.000 6.468 ( 0.000 0.000 0.000) 0.000 6.482 ( 0.000 0.000 0.000) 0.000 6.530 ( 0.000 0.000 0.000) 0.000 6.556 ( 0.000 0.000 0.000) 0.000 6.579 ( 0.000 0.000 0.000) 0.000 6.611 ( 0.000 0.000 0.000) 0.000 6.730 ( 0.000 0.000 0.000) 0.000 6.900 ( 0.000 0.000 0.000) 0.000 6.910 ( 0.000 0.000 0.000) 0.000 7.325 ( 0.000 0.000 0.000) 0.000 7.393 ( 0.000 0.000 0.000) 0.000 7.450 ( 0.000 0.000 0.000) 0.000 7.501 ( 0.000 0.000 0.000) 0.000 7.759 ( 0.000 0.000 0.000) 0.000 7.774 ( 0.000 0.000 0.000) 0.000 12.684 ( 0.000 0.000 0.000) 0.000 12.701 ( 0.000 0.000 0.000) 0.000 12.715 ( 0.000 0.000 0.000) 0.000 12.750 ( 0.000 0.000 0.000) 0.000 12.854 ( 0.000 0.000 0.000) 0.000 12.876 ( 0.000 0.000 0.000) 0.000 13.043 ( 0.000 0.000 0.000) 0.000 13.103 ( 0.000 0.000 0.000) 0.000 13.646 ( 0.000 0.000 0.000) 0.000 13.712 ( 0.000 0.000 0.000) 0.000 13.810 ( 0.000 0.000 0.000) 0.000 13.844 ( 0.000 0.000 0.000) 0.000 14.112 ( 0.000 0.000 0.000) 0.000 14.173 ( 0.000 0.000 0.000) 0.000 14.590 ( 0.000 0.000 0.000) 0.000 14.680 ( 0.000 0.000 0.000) 0.000 16.931 ( 0.000 0.000 0.000) 0.000 16.959 ( 0.000 0.000 0.000) 0.000 17.200 ( 0.000 0.000 0.000) 0.000 17.268 ( 0.000 0.000 0.000) 0.000 17.321 ( 0.000 0.000 0.000) 0.000 17.346 ( 0.000 0.000 0.000) 0.000 17.347 ( 0.000 0.000 0.000) 0.000 17.430 ( 0.000 0.000 0.000) 0.000 17.509 ( 0.000 0.000 0.000) 0.000 17.529 ( 0.000 0.000 0.000) 0.000 17.614 ( 0.000 0.000 0.000) 0.000 17.761 ( 0.000 0.000 0.000) 0.000 17.931 ( 0.000 0.000 0.000) 0.000 17.951 ( 0.000 0.000 0.000) 0.000 17.965 ( 0.000 0.000 0.000) 0.000 18.025 ( 0.000 0.000 0.000) 0.000 18.743 ( 0.000 0.000 0.000) 0.000 18.774 ( 0.000 0.000 0.000) 0.000 18.949 ( 0.000 0.000 0.000) 0.000 18.956 ( 0.000 0.000 0.000) 0.000 19.115 ( 0.000 0.000 0.000) 0.000 19.248 ( 0.000 0.000 0.000) 0.000 19.286 ( 0.000 0.000 0.000) 0.000 19.289 ( 0.000 0.000 0.000) 0.000 28.333 ( 0.000 0.000 0.000) 0.000 28.333 ( 0.000 0.000 0.000) 0.000 28.348 ( 0.000 0.000 0.000) 0.000 28.358 ( 0.000 0.000 0.000) 0.000 28.376 ( 0.000 0.000 0.000) 0.000 28.381 ( 0.000 0.000 0.000) 0.000 28.494 ( 0.000 0.000 0.000) 0.000 28.494 ( 0.000 0.000 0.000) 0.000 31.340 ( 0.000 0.000 0.000) 0.000 31.351 ( 0.000 0.000 0.000) 0.000 31.471 ( 0.000 0.000 0.000) 0.000 31.512 ( 0.000 0.000 0.000) 0.000 31.519 ( 0.000 0.000 0.000) 0.000 31.564 ( 0.000 0.000 0.000) 0.000 31.593 ( 0.000 0.000 0.000) 0.000 31.656 ( 0.000 0.000 0.000) 0.000 31.697 ( 0.000 0.000 0.000) 0.000 31.741 ( 0.000 0.000 0.000) 0.000 31.860 ( 0.000 0.000 0.000) 0.000 31.864 ( 0.000 0.000 0.000) 0.000 31.999 ( 0.000 0.000 0.000) 0.000 32.076 ( 0.000 0.000 0.000) 0.000 32.211 ( 0.000 0.000 0.000) 0.000 32.268 ( 0.000 0.000 0.000) 0.000 32.395 ( 0.000 0.000 0.000) 0.000 32.449 ( 0.000 0.000 0.000) 0.000 32.454 ( 0.000 0.000 0.000) 0.000 32.465 ( 0.000 0.000 0.000) 0.000 32.980 ( 0.000 0.000 0.000) 0.000 33.604 ( 0.000 0.000 0.000) 0.000 34.204 ( 0.000 0.000 0.000) 0.000 34.889 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/45) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.333 ( 17.448 0.000 0.000) 17.448 0.627 ( 28.523 0.000 0.000) 28.523 1.053 ( 46.503 0.000 0.000) 46.503 1.163 ( 17.503 0.000 0.000) 17.503 1.342 ( 31.379 0.000 0.000) 31.379 1.499 ( -7.396 0.000 0.000) 7.396 1.639 ( -3.947 0.000 0.000) 3.947 1.688 ( -11.260 0.000 0.000) 11.260 1.785 ( -5.157 0.000 0.000) 5.157 1.856 ( 0.053 0.000 0.000) 0.053 1.875 ( -7.722 0.000 0.000) 7.722 1.968 ( 8.310 0.000 0.000) 8.310 2.062 ( 0.274 0.000 0.000) 0.274 2.145 ( -4.015 0.000 0.000) 4.015 2.162 ( -1.510 0.000 0.000) 1.510 2.178 ( -1.165 0.000 0.000) 1.165 2.451 ( -8.084 0.000 0.000) 8.084 2.472 ( -11.056 0.000 0.000) 11.056 2.474 ( 5.851 0.000 0.000) 5.851 2.519 ( -5.864 0.000 0.000) 5.864 2.694 ( -1.873 0.000 0.000) 1.873 2.792 ( -6.105 0.000 0.000) 6.105 2.864 ( -7.861 0.000 0.000) 7.861 2.901 ( 1.059 0.000 0.000) 1.059 3.720 ( 12.633 0.000 0.000) 12.633 3.897 ( 6.373 0.000 0.000) 6.373 3.927 ( 12.857 0.000 0.000) 12.857 4.116 ( 10.177 0.000 0.000) 10.177 4.451 ( -1.388 0.000 0.000) 1.388 4.498 ( -1.392 0.000 0.000) 1.392 4.506 ( 1.999 0.000 0.000) 1.999 4.603 ( 1.893 0.000 0.000) 1.893 4.764 ( 9.718 0.000 0.000) 9.718 4.813 ( -3.247 0.000 0.000) 3.247 5.018 ( 0.995 0.000 0.000) 0.995 5.041 ( -2.224 0.000 0.000) 2.224 5.084 ( -1.790 0.000 0.000) 1.790 5.104 ( -5.886 0.000 0.000) 5.886 5.225 ( -1.736 0.000 0.000) 1.736 5.267 ( -1.536 0.000 0.000) 1.536 5.293 ( -5.294 0.000 0.000) 5.294 5.336 ( -1.365 0.000 0.000) 1.365 5.377 ( -5.279 0.000 0.000) 5.279 5.538 ( 1.985 0.000 0.000) 1.985 5.596 ( -2.620 0.000 0.000) 2.620 5.639 ( 1.888 0.000 0.000) 1.888 5.693 ( -4.224 0.000 0.000) 4.224 5.699 ( 2.960 0.000 0.000) 2.960 5.786 ( -4.278 0.000 0.000) 4.278 5.794 ( 1.565 0.000 0.000) 1.565 5.949 ( 1.766 0.000 0.000) 1.766 5.959 ( 3.306 0.000 0.000) 3.306 6.063 ( 1.139 0.000 0.000) 1.139 6.206 ( 2.248 0.000 0.000) 2.248 6.333 ( -5.515 0.000 0.000) 5.515 6.376 ( 0.878 0.000 0.000) 0.878 6.431 ( 1.407 0.000 0.000) 1.407 6.434 ( -1.238 0.000 0.000) 1.238 6.464 ( -1.258 0.000 0.000) 1.258 6.468 ( -5.317 0.000 0.000) 5.317 6.566 ( 2.455 0.000 0.000) 2.455 6.640 ( 3.357 0.000 0.000) 3.357 6.757 ( 7.189 0.000 0.000) 7.189 6.850 ( -3.217 0.000 0.000) 3.217 6.904 ( 3.033 0.000 0.000) 3.033 7.287 ( -1.825 0.000 0.000) 1.825 7.351 ( -3.553 0.000 0.000) 3.553 7.457 ( 3.873 0.000 0.000) 3.873 7.627 ( -9.687 0.000 0.000) 9.687 7.654 ( 8.406 0.000 0.000) 8.406 7.713 ( -3.995 0.000 0.000) 3.995 7.936 ( 1.764 0.000 0.000) 1.764 12.695 ( 1.009 0.000 0.000) 1.009 12.729 ( 2.148 0.000 0.000) 2.148 12.756 ( 0.579 0.000 0.000) 0.579 12.810 ( -0.849 0.000 0.000) 0.849 12.850 ( -0.040 0.000 0.000) 0.040 12.908 ( 2.497 0.000 0.000) 2.497 13.021 ( -2.035 0.000 0.000) 2.035 13.085 ( -1.679 0.000 0.000) 1.679 13.655 ( 0.868 0.000 0.000) 0.868 13.720 ( 0.726 0.000 0.000) 0.726 13.779 ( -2.414 0.000 0.000) 2.414 13.822 ( -1.813 0.000 0.000) 1.813 14.175 ( 5.256 0.000 0.000) 5.256 14.265 ( 4.447 0.000 0.000) 4.447 14.553 ( -3.453 0.000 0.000) 3.453 14.638 ( -3.854 0.000 0.000) 3.854 16.963 ( 2.829 0.000 0.000) 2.829 17.078 ( 1.698 0.000 0.000) 1.698 17.183 ( -1.815 0.000 0.000) 1.815 17.264 ( -0.025 0.000 0.000) 0.025 17.279 ( -3.047 0.000 0.000) 3.047 17.336 ( -1.061 0.000 0.000) 1.061 17.376 ( 1.989 0.000 0.000) 1.989 17.503 ( -0.333 0.000 0.000) 0.333 17.513 ( -1.377 0.000 0.000) 1.377 17.592 ( -1.899 0.000 0.000) 1.899 17.753 ( -0.197 0.000 0.000) 0.197 17.757 ( -0.316 0.000 0.000) 0.316 17.938 ( 0.617 0.000 0.000) 0.617 17.956 ( 0.330 0.000 0.000) 0.330 17.974 ( 0.806 0.000 0.000) 0.806 18.022 ( -0.272 0.000 0.000) 0.272 18.764 ( 2.143 0.000 0.000) 2.143 18.795 ( 1.888 0.000 0.000) 1.888 18.949 ( -0.736 0.000 0.000) 0.736 18.985 ( 3.163 0.000 0.000) 3.163 19.131 ( 1.528 0.000 0.000) 1.528 19.193 ( -7.782 0.000 0.000) 7.782 19.228 ( -3.136 0.000 0.000) 3.136 19.287 ( -1.031 0.000 0.000) 1.031 28.302 ( -1.277 0.000 0.000) 1.277 28.309 ( -1.049 0.000 0.000) 1.049 28.352 ( -1.870 0.000 0.000) 1.870 28.352 ( -2.259 0.000 0.000) 2.259 28.392 ( 2.473 0.000 0.000) 2.473 28.400 ( 2.627 0.000 0.000) 2.627 28.493 ( -0.299 0.000 0.000) 0.299 28.500 ( 0.204 0.000 0.000) 0.204 31.348 ( 0.626 0.000 0.000) 0.626 31.363 ( 1.134 0.000 0.000) 1.134 31.402 ( -1.812 0.000 0.000) 1.812 31.523 ( 0.382 0.000 0.000) 0.382 31.525 ( -2.792 0.000 0.000) 2.792 31.561 ( -0.276 0.000 0.000) 0.276 31.611 ( 1.563 0.000 0.000) 1.563 31.762 ( -2.298 0.000 0.000) 2.298 31.779 ( 5.233 0.000 0.000) 5.233 31.898 ( 2.660 0.000 0.000) 2.660 31.999 ( -0.009 0.000 0.000) 0.009 32.005 ( 21.049 0.000 0.000) 21.049 32.048 ( -2.394 0.000 0.000) 2.394 32.238 ( 2.142 0.000 0.000) 2.142 32.252 ( -1.199 0.000 0.000) 1.199 32.348 ( -3.797 0.000 0.000) 3.797 32.401 ( -1.954 0.000 0.000) 1.954 32.448 ( -1.463 0.000 0.000) 1.463 32.568 ( 10.514 0.000 0.000) 10.514 33.042 ( 5.603 0.000 0.000) 5.603 33.485 ( -3.561 0.000 0.000) 3.561 34.065 ( -13.052 0.000 0.000) 13.052 34.793 ( 1.040 0.000 0.000) 1.040 34.879 ( -0.872 0.000 0.000) 0.872 ======================= Grid point 2 (3/45) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.757 ( 22.406 0.000 0.000) 22.406 1.180 ( 20.744 0.000 0.000) 20.744 1.265 ( -21.474 0.000 0.000) 21.474 1.403 ( -0.253 0.000 0.000) 0.253 1.481 ( -4.187 0.000 0.000) 4.187 1.587 ( -13.953 0.000 0.000) 13.953 1.621 ( 18.629 0.000 0.000) 18.629 1.813 ( 4.716 0.000 0.000) 4.716 1.826 ( -0.043 0.000 0.000) 0.043 1.868 ( 24.019 0.000 0.000) 24.019 1.904 ( 9.738 0.000 0.000) 9.738 2.039 ( -11.050 0.000 0.000) 11.050 2.048 ( -2.832 0.000 0.000) 2.832 2.084 ( -1.900 0.000 0.000) 1.900 2.170 ( 2.832 0.000 0.000) 2.832 2.171 ( 6.954 0.000 0.000) 6.954 2.280 ( -7.185 0.000 0.000) 7.185 2.299 ( 3.059 0.000 0.000) 3.059 2.367 ( -8.379 0.000 0.000) 8.379 2.568 ( 3.605 0.000 0.000) 3.605 2.580 ( -14.765 0.000 0.000) 14.765 2.640 ( -3.109 0.000 0.000) 3.109 2.838 ( 4.900 0.000 0.000) 4.900 2.925 ( -0.803 0.000 0.000) 0.803 3.940 ( 8.435 0.000 0.000) 8.435 4.049 ( 7.462 0.000 0.000) 7.462 4.082 ( -2.307 0.000 0.000) 2.307 4.187 ( -3.983 0.000 0.000) 3.983 4.475 ( 5.051 0.000 0.000) 5.051 4.506 ( 1.661 0.000 0.000) 1.661 4.601 ( 4.992 0.000 0.000) 4.992 4.641 ( 0.848 0.000 0.000) 0.848 4.761 ( 0.120 0.000 0.000) 0.120 4.866 ( -3.927 0.000 0.000) 3.927 4.977 ( -1.591 0.000 0.000) 1.591 5.026 ( -3.336 0.000 0.000) 3.336 5.036 ( 2.132 0.000 0.000) 2.132 5.094 ( 1.121 0.000 0.000) 1.121 5.198 ( 5.698 0.000 0.000) 5.698 5.215 ( -1.586 0.000 0.000) 1.586 5.221 ( -1.774 0.000 0.000) 1.774 5.300 ( -1.455 0.000 0.000) 1.455 5.303 ( -1.307 0.000 0.000) 1.307 5.482 ( -14.766 0.000 0.000) 14.766 5.563 ( 0.596 0.000 0.000) 0.596 5.571 ( -0.342 0.000 0.000) 0.342 5.674 ( 1.586 0.000 0.000) 1.586 5.712 ( -2.168 0.000 0.000) 2.168 5.785 ( 3.748 0.000 0.000) 3.748 5.819 ( 0.311 0.000 0.000) 0.311 6.025 ( 5.878 0.000 0.000) 5.878 6.034 ( 3.216 0.000 0.000) 3.216 6.076 ( -0.459 0.000 0.000) 0.459 6.182 ( -7.964 0.000 0.000) 7.964 6.258 ( 2.753 0.000 0.000) 2.753 6.339 ( -4.723 0.000 0.000) 4.723 6.423 ( 0.060 0.000 0.000) 0.060 6.424 ( 1.883 0.000 0.000) 1.883 6.437 ( -1.154 0.000 0.000) 1.154 6.454 ( -0.072 0.000 0.000) 0.072 6.633 ( 3.987 0.000 0.000) 3.987 6.714 ( 3.402 0.000 0.000) 3.402 6.731 ( -4.737 0.000 0.000) 4.737 6.779 ( -3.052 0.000 0.000) 3.052 7.111 ( 10.086 0.000 0.000) 10.086 7.246 ( -3.022 0.000 0.000) 3.022 7.329 ( 1.726 0.000 0.000) 1.726 7.431 ( -7.730 0.000 0.000) 7.730 7.530 ( 3.271 0.000 0.000) 3.271 7.613 ( -4.698 0.000 0.000) 4.698 7.817 ( 6.623 0.000 0.000) 6.623 7.922 ( -2.987 0.000 0.000) 2.987 12.723 ( 1.567 0.000 0.000) 1.567 12.751 ( -0.576 0.000 0.000) 0.576 12.772 ( 0.879 0.000 0.000) 0.879 12.791 ( -0.891 0.000 0.000) 0.891 12.882 ( 3.231 0.000 0.000) 3.231 12.960 ( -3.565 0.000 0.000) 3.565 12.970 ( 3.202 0.000 0.000) 3.202 13.036 ( -2.851 0.000 0.000) 2.851 13.682 ( 1.675 0.000 0.000) 1.675 13.726 ( -2.383 0.000 0.000) 2.383 13.743 ( 1.434 0.000 0.000) 1.434 13.780 ( -1.993 0.000 0.000) 1.993 14.309 ( 6.910 0.000 0.000) 6.910 14.386 ( 6.564 0.000 0.000) 6.564 14.450 ( -6.046 0.000 0.000) 6.046 14.527 ( -6.311 0.000 0.000) 6.311 17.039 ( 4.027 0.000 0.000) 4.027 17.123 ( -3.638 0.000 0.000) 3.638 17.130 ( 3.107 0.000 0.000) 3.107 17.205 ( -3.746 0.000 0.000) 3.746 17.276 ( 1.065 0.000 0.000) 1.065 17.306 ( -1.615 0.000 0.000) 1.615 17.424 ( 2.451 0.000 0.000) 2.451 17.474 ( -2.211 0.000 0.000) 2.211 17.508 ( 0.998 0.000 0.000) 0.998 17.545 ( -2.253 0.000 0.000) 2.253 17.749 ( -0.078 0.000 0.000) 0.078 17.751 ( -0.238 0.000 0.000) 0.238 17.952 ( 0.599 0.000 0.000) 0.599 17.960 ( -0.056 0.000 0.000) 0.056 17.994 ( 0.985 0.000 0.000) 0.985 18.012 ( -0.664 0.000 0.000) 0.664 18.834 ( 3.857 0.000 0.000) 3.857 18.843 ( 2.236 0.000 0.000) 2.236 18.928 ( -0.582 0.000 0.000) 0.582 19.013 ( -7.900 0.000 0.000) 7.900 19.067 ( 4.151 0.000 0.000) 4.151 19.152 ( -3.858 0.000 0.000) 3.858 19.179 ( 2.894 0.000 0.000) 2.894 19.243 ( -2.875 0.000 0.000) 2.875 28.289 ( 0.096 0.000 0.000) 0.096 28.299 ( 0.132 0.000 0.000) 0.132 28.307 ( -1.636 0.000 0.000) 1.636 28.315 ( -1.365 0.000 0.000) 1.365 28.442 ( 2.089 0.000 0.000) 2.089 28.455 ( 2.300 0.000 0.000) 2.300 28.477 ( -1.192 0.000 0.000) 1.192 28.492 ( -1.086 0.000 0.000) 1.086 31.364 ( 0.805 0.000 0.000) 0.805 31.380 ( -0.733 0.000 0.000) 0.733 31.399 ( 2.258 0.000 0.000) 2.258 31.457 ( -3.128 0.000 0.000) 3.128 31.535 ( 0.744 0.000 0.000) 0.744 31.551 ( -0.681 0.000 0.000) 0.681 31.655 ( 2.451 0.000 0.000) 2.451 31.709 ( -2.612 0.000 0.000) 2.612 31.889 ( 4.941 0.000 0.000) 4.941 31.955 ( 2.444 0.000 0.000) 2.444 31.982 ( -3.775 0.000 0.000) 3.775 31.992 ( -0.937 0.000 0.000) 0.937 32.235 ( 0.046 0.000 0.000) 0.046 32.268 ( -3.065 0.000 0.000) 3.065 32.287 ( 2.070 0.000 0.000) 2.070 32.289 ( 4.261 0.000 0.000) 4.261 32.373 ( -0.038 0.000 0.000) 0.038 32.408 ( -2.210 0.000 0.000) 2.210 33.035 ( 30.614 0.000 0.000) 30.614 33.196 ( 8.314 0.000 0.000) 8.314 33.368 ( -7.267 0.000 0.000) 7.267 33.655 ( -25.354 0.000 0.000) 25.354 34.822 ( 1.531 0.000 0.000) 1.531 34.854 ( -1.428 0.000 0.000) 1.428 ======================= Grid point 5 (4/45) ======================= q-point: ( 0.00 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.300 ( 0.000 15.449 0.000) 15.449 0.327 ( 0.000 16.803 0.000) 16.803 0.570 ( 0.000 29.089 0.000) 29.089 0.791 ( 0.000 -8.620 0.000) 8.620 0.858 ( 0.000 -9.374 0.000) 9.374 1.466 ( 0.000 -15.178 0.000) 15.178 1.703 ( 0.000 2.817 0.000) 2.817 1.781 ( 0.000 1.540 0.000) 1.540 1.841 ( 0.000 0.153 0.000) 0.153 1.847 ( 0.000 -0.096 0.000) 0.096 1.899 ( 0.000 4.420 0.000) 4.420 1.996 ( 0.000 -1.412 0.000) 1.412 2.002 ( 0.000 -4.620 0.000) 4.620 2.077 ( 0.000 -3.203 0.000) 3.203 2.218 ( 0.000 1.808 0.000) 1.808 2.322 ( 0.000 -2.570 0.000) 2.570 2.323 ( 0.000 7.200 0.000) 7.200 2.553 ( 0.000 -3.681 0.000) 3.681 2.564 ( 0.000 0.910 0.000) 0.910 2.596 ( 0.000 -0.535 0.000) 0.535 2.872 ( 0.000 0.865 0.000) 0.865 2.900 ( 0.000 -0.360 0.000) 0.360 3.072 ( 0.000 3.983 0.000) 3.983 3.211 ( 0.000 -2.065 0.000) 2.065 3.518 ( 0.000 0.589 0.000) 0.589 3.547 ( 0.000 -0.618 0.000) 0.618 3.784 ( 0.000 3.080 0.000) 3.080 3.932 ( 0.000 -3.028 0.000) 3.028 4.470 ( 0.000 0.434 0.000) 0.434 4.487 ( 0.000 -0.291 0.000) 0.291 4.552 ( 0.000 -0.182 0.000) 0.182 4.565 ( 0.000 -0.921 0.000) 0.921 4.610 ( 0.000 1.068 0.000) 1.068 4.634 ( 0.000 -0.124 0.000) 0.124 4.874 ( 0.000 2.030 0.000) 2.030 4.985 ( 0.000 -2.911 0.000) 2.911 5.129 ( 0.000 2.261 0.000) 2.261 5.221 ( 0.000 -1.965 0.000) 1.965 5.283 ( 0.000 1.225 0.000) 1.225 5.339 ( 0.000 -1.096 0.000) 1.096 5.391 ( 0.000 1.119 0.000) 1.119 5.409 ( 0.000 0.485 0.000) 0.485 5.430 ( 0.000 -0.393 0.000) 0.393 5.441 ( 0.000 -1.210 0.000) 1.210 5.517 ( 0.000 1.903 0.000) 1.903 5.592 ( 0.000 -1.433 0.000) 1.433 5.660 ( 0.000 1.180 0.000) 1.180 5.720 ( 0.000 -1.330 0.000) 1.330 5.800 ( 0.000 2.572 0.000) 2.572 5.904 ( 0.000 -1.693 0.000) 1.693 5.947 ( 0.000 1.432 0.000) 1.432 6.027 ( 0.000 -1.996 0.000) 1.996 6.091 ( 0.000 0.399 0.000) 0.399 6.105 ( 0.000 -0.074 0.000) 0.074 6.365 ( 0.000 0.022 0.000) 0.022 6.382 ( 0.000 -0.494 0.000) 0.494 6.425 ( 0.000 0.947 0.000) 0.947 6.472 ( 0.000 -0.991 0.000) 0.991 6.482 ( 0.000 1.284 0.000) 1.284 6.532 ( 0.000 0.115 0.000) 0.115 6.543 ( 0.000 -1.022 0.000) 1.022 6.569 ( 0.000 -0.938 0.000) 0.938 6.640 ( 0.000 1.786 0.000) 1.786 6.716 ( 0.000 -1.372 0.000) 1.372 6.902 ( 0.000 0.196 0.000) 0.196 6.915 ( 0.000 -0.329 0.000) 0.329 7.343 ( 0.000 1.798 0.000) 1.798 7.409 ( 0.000 1.309 0.000) 1.309 7.434 ( 0.000 -1.394 0.000) 1.394 7.488 ( 0.000 -1.403 0.000) 1.403 7.761 ( 0.000 0.231 0.000) 0.231 7.772 ( 0.000 -0.237 0.000) 0.237 12.693 ( 0.000 0.971 0.000) 0.971 12.703 ( 0.000 0.198 0.000) 0.198 12.713 ( 0.000 -0.239 0.000) 0.239 12.740 ( 0.000 -0.976 0.000) 0.976 12.858 ( 0.000 0.363 0.000) 0.363 12.874 ( 0.000 -0.282 0.000) 0.282 13.053 ( 0.000 0.975 0.000) 0.975 13.095 ( 0.000 -0.808 0.000) 0.808 13.654 ( 0.000 0.870 0.000) 0.870 13.701 ( 0.000 -1.072 0.000) 1.072 13.814 ( 0.000 0.448 0.000) 0.448 13.838 ( 0.000 -0.561 0.000) 0.561 14.141 ( 0.000 0.616 0.000) 0.616 14.168 ( 0.000 -0.525 0.000) 0.525 14.604 ( 0.000 1.391 0.000) 1.391 14.668 ( 0.000 -1.256 0.000) 1.256 16.944 ( 0.000 0.253 0.000) 0.253 16.956 ( 0.000 -0.257 0.000) 0.257 17.211 ( 0.000 1.068 0.000) 1.068 17.260 ( 0.000 -0.863 0.000) 0.863 17.322 ( 0.000 0.139 0.000) 0.139 17.338 ( 0.000 -0.663 0.000) 0.663 17.423 ( 0.000 0.106 0.000) 0.106 17.428 ( 0.000 -0.124 0.000) 0.124 17.512 ( 0.000 0.293 0.000) 0.293 17.526 ( 0.000 -0.279 0.000) 0.279 17.635 ( 0.000 2.064 0.000) 2.064 17.737 ( 0.000 -2.342 0.000) 2.342 17.936 ( 0.000 0.506 0.000) 0.506 17.960 ( 0.000 -0.491 0.000) 0.491 17.966 ( 0.000 1.356 0.000) 1.356 18.016 ( 0.000 -0.855 0.000) 0.855 18.762 ( 0.000 2.034 0.000) 2.034 18.885 ( 0.000 -3.738 0.000) 3.738 19.012 ( 0.000 2.922 0.000) 2.922 19.101 ( 0.000 -1.437 0.000) 1.437 19.219 ( 0.000 0.483 0.000) 0.483 19.243 ( 0.000 -0.497 0.000) 0.497 19.287 ( 0.000 0.045 0.000) 0.045 19.289 ( 0.000 -0.036 0.000) 0.036 28.331 ( 0.000 -0.107 0.000) 0.107 28.333 ( 0.000 -0.069 0.000) 0.069 28.352 ( 0.000 0.280 0.000) 0.280 28.358 ( 0.000 -0.064 0.000) 0.064 28.376 ( 0.000 0.074 0.000) 0.074 28.380 ( 0.000 -0.091 0.000) 0.091 28.494 ( 0.000 0.015 0.000) 0.015 28.494 ( 0.000 0.003 0.000) 0.003 31.373 ( 0.000 2.180 0.000) 2.180 31.377 ( 0.000 3.506 0.000) 3.506 31.496 ( 0.000 0.112 0.000) 0.112 31.498 ( 0.000 -1.989 0.000) 1.989 31.508 ( 0.000 -0.357 0.000) 0.357 31.563 ( 0.000 -3.132 0.000) 3.132 31.574 ( 0.000 1.036 0.000) 1.036 31.634 ( 0.000 -1.786 0.000) 1.786 31.769 ( 0.000 2.340 0.000) 2.340 31.848 ( 0.000 -1.267 0.000) 1.267 31.877 ( 0.000 1.310 0.000) 1.310 31.946 ( 0.000 -1.576 0.000) 1.576 32.001 ( 0.000 0.330 0.000) 0.330 32.052 ( 0.000 -2.082 0.000) 2.082 32.220 ( 0.000 0.865 0.000) 0.865 32.259 ( 0.000 -0.818 0.000) 0.818 32.405 ( 0.000 0.960 0.000) 0.960 32.446 ( 0.000 -0.779 0.000) 0.779 32.535 ( 0.000 6.851 0.000) 6.851 32.886 ( 0.000 -8.682 0.000) 8.682 33.599 ( 0.000 0.092 0.000) 0.092 33.603 ( 0.000 -0.082 0.000) 0.082 34.328 ( 0.000 11.671 0.000) 11.671 34.803 ( 0.000 -8.706 0.000) 8.706 ======================= Grid point 6 (5/45) ======================= q-point: ( 0.20 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.573 ( 9.146 18.727 0.000) 20.841 0.709 ( 25.382 7.956 0.000) 26.599 1.078 ( 18.007 -8.086 0.000) 19.739 1.127 ( 42.234 7.780 0.000) 42.944 1.191 ( 17.120 -12.426 0.000) 21.154 1.496 ( 11.992 -4.297 0.000) 12.739 1.648 ( -5.913 0.978 0.000) 5.993 1.693 ( -11.791 -0.122 0.000) 11.792 1.800 ( -4.149 1.277 0.000) 4.341 1.848 ( -0.453 -0.919 0.000) 1.025 1.897 ( -3.780 2.416 0.000) 4.486 1.971 ( 5.644 1.726 0.000) 5.902 2.023 ( 0.695 -3.095 0.000) 3.172 2.136 ( 1.040 -3.945 0.000) 4.080 2.169 ( -4.144 1.897 0.000) 4.557 2.193 ( -3.126 2.210 0.000) 3.829 2.452 ( -8.782 0.052 0.000) 8.782 2.453 ( 3.500 -1.411 0.000) 3.774 2.459 ( -10.672 -0.592 0.000) 10.688 2.499 ( -4.028 -2.118 0.000) 4.551 2.786 ( -9.429 6.323 0.000) 11.353 2.815 ( -4.534 2.174 0.000) 5.028 2.875 ( -9.219 0.699 0.000) 9.246 2.891 ( 0.265 -1.116 0.000) 1.147 3.736 ( 12.417 1.626 0.000) 12.523 3.851 ( 9.107 -3.861 0.000) 9.892 3.956 ( 12.529 2.817 0.000) 12.842 4.089 ( 10.626 -2.709 0.000) 10.966 4.461 ( -0.826 0.939 0.000) 1.250 4.500 ( 1.556 -0.669 0.000) 1.694 4.509 ( -0.760 1.180 0.000) 1.403 4.580 ( 1.514 -2.054 0.000) 2.552 4.785 ( 10.314 2.097 0.000) 10.525 4.837 ( -2.768 2.496 0.000) 3.727 4.930 ( 6.847 -5.999 0.000) 9.103 4.975 ( 0.013 -3.606 0.000) 3.606 5.113 ( -1.597 2.226 0.000) 2.740 5.203 ( -1.925 -2.031 0.000) 2.799 5.213 ( -9.295 5.685 0.000) 10.896 5.274 ( -2.340 0.562 0.000) 2.406 5.308 ( -5.154 1.360 0.000) 5.331 5.341 ( -1.006 0.930 0.000) 1.370 5.365 ( -5.173 -1.179 0.000) 5.306 5.542 ( 0.291 -8.678 0.000) 8.683 5.554 ( 1.839 1.588 0.000) 2.430 5.612 ( -2.512 1.423 0.000) 2.887 5.625 ( 1.817 -1.431 0.000) 2.313 5.686 ( -1.842 -1.571 0.000) 2.420 5.823 ( 1.846 2.870 0.000) 3.412 5.913 ( -3.776 6.727 0.000) 7.714 5.941 ( 3.030 -1.980 0.000) 3.619 5.964 ( 1.924 1.630 0.000) 2.522 6.050 ( 1.220 -0.960 0.000) 1.552 6.167 ( 2.770 -3.837 0.000) 4.732 6.337 ( -4.430 0.475 0.000) 4.455 6.369 ( -0.327 -0.760 0.000) 0.827 6.431 ( 0.658 0.216 0.000) 0.692 6.439 ( -1.705 0.565 0.000) 1.796 6.458 ( -0.983 -0.694 0.000) 1.203 6.464 ( -4.155 -0.355 0.000) 4.170 6.572 ( 2.459 0.702 0.000) 2.557 6.625 ( 3.101 -1.422 0.000) 3.411 6.785 ( 4.489 2.504 0.000) 5.140 6.844 ( -3.237 -0.614 0.000) 3.295 6.926 ( 7.084 2.783 0.000) 7.611 7.296 ( -2.081 0.957 0.000) 2.290 7.342 ( -3.344 -0.930 0.000) 3.470 7.379 ( 14.432 -23.104 0.000) 27.242 7.486 ( 4.461 2.968 0.000) 5.358 7.626 ( 7.657 -2.837 0.000) 8.166 7.718 ( -3.677 0.527 0.000) 3.714 7.771 ( 2.706 -4.438 0.000) 5.198 12.704 ( 0.987 0.942 0.000) 1.365 12.734 ( 2.291 0.518 0.000) 2.349 12.748 ( 0.681 -0.869 0.000) 1.105 12.780 ( 1.958 -2.074 0.000) 2.852 12.860 ( 0.244 0.700 0.000) 0.742 12.891 ( 2.245 -1.040 0.000) 2.475 13.031 ( -1.996 1.016 0.000) 2.240 13.077 ( -1.739 -0.872 0.000) 1.945 13.664 ( 0.852 0.852 0.000) 1.205 13.709 ( 0.753 -1.043 0.000) 1.287 13.785 ( -2.348 0.589 0.000) 2.420 13.814 ( -1.874 -0.706 0.000) 2.002 14.189 ( 4.923 1.254 0.000) 5.080 14.245 ( 5.295 -1.591 0.000) 5.529 14.566 ( -3.521 1.311 0.000) 3.757 14.626 ( -3.805 -1.194 0.000) 3.987 16.972 ( 2.936 0.845 0.000) 3.055 17.039 ( 3.774 -2.862 0.000) 4.737 17.193 ( -1.871 0.999 0.000) 2.121 17.245 ( -1.670 -1.374 0.000) 2.162 17.300 ( -0.949 1.461 0.000) 1.742 17.361 ( 1.603 -1.391 0.000) 2.122 17.364 ( -1.524 2.497 0.000) 2.925 17.485 ( -1.096 -2.396 0.000) 2.635 17.517 ( -0.031 0.494 0.000) 0.495 17.601 ( 5.600 -7.377 0.000) 9.262 17.615 ( -1.769 2.251 0.000) 2.863 17.729 ( -0.672 -2.688 0.000) 2.770 17.944 ( 0.682 0.540 0.000) 0.870 17.969 ( 0.651 -0.117 0.000) 0.661 17.969 ( 0.325 0.807 0.000) 0.870 18.014 ( -0.222 -0.790 0.000) 0.821 18.783 ( 2.019 1.927 0.000) 2.792 18.898 ( 0.950 -3.490 0.000) 3.617 18.983 ( -8.767 11.077 0.000) 14.126 19.029 ( 1.689 2.823 0.000) 3.290 19.117 ( 1.518 -1.430 0.000) 2.086 19.180 ( -7.845 -1.451 0.000) 7.979 19.231 ( -3.105 0.321 0.000) 3.122 19.268 ( -1.189 -1.597 0.000) 1.990 28.303 ( -1.218 0.104 0.000) 1.222 28.308 ( -1.066 -0.085 0.000) 1.069 28.350 ( -2.011 -0.030 0.000) 2.012 28.352 ( -2.084 -0.041 0.000) 2.084 28.394 ( 2.460 0.123 0.000) 2.463 28.399 ( 2.578 -0.117 0.000) 2.581 28.493 ( -0.272 0.011 0.000) 0.272 28.496 ( 0.124 -0.242 0.000) 0.272 31.375 ( 0.337 2.390 0.000) 2.413 31.393 ( 1.307 3.124 0.000) 3.387 31.417 ( -1.576 1.560 0.000) 2.218 31.502 ( 0.463 -1.844 0.000) 1.901 31.512 ( -1.117 -2.393 0.000) 2.641 31.580 ( 1.556 -3.155 0.000) 3.518 31.589 ( -2.013 3.685 0.000) 4.199 31.737 ( -0.979 -2.632 0.000) 2.808 31.789 ( 3.565 1.006 0.000) 3.705 31.857 ( 4.994 -2.586 0.000) 5.624 31.998 ( -0.386 -0.018 0.000) 0.387 32.030 ( -1.866 -1.484 0.000) 2.384 32.092 ( 19.765 7.192 0.000) 21.033 32.236 ( 0.957 0.130 0.000) 0.965 32.253 ( -0.063 -0.217 0.000) 0.226 32.359 ( -3.674 1.048 0.000) 3.821 32.385 ( 2.391 -2.343 0.000) 3.348 32.462 ( 14.112 -8.292 0.000) 16.368 32.526 ( -0.897 7.559 0.000) 7.612 32.926 ( 3.387 -10.449 0.000) 10.984 33.552 ( 0.292 6.837 0.000) 6.843 34.215 ( 26.742 -35.776 0.000) 44.666 34.217 ( -10.267 14.027 0.000) 17.383 34.778 ( -2.389 -10.296 0.000) 10.569 ======================= Grid point 7 (6/45) ======================= q-point: ( 0.40 0.25 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 50 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.859 ( 17.884 9.753 0.000) 20.370 1.227 ( 20.779 4.656 0.000) 21.294 1.293 ( -19.949 2.651 0.000) 20.125 1.294 ( 3.566 -9.765 0.000) 10.396 1.447 ( -3.535 -3.226 0.000) 4.786 1.533 ( 13.271 -7.201 0.000) 15.098 1.623 ( -12.833 3.186 0.000) 13.222 1.784 ( -2.734 -3.837 0.000) 4.711 1.891 ( 2.222 4.982 0.000) 5.455 1.896 ( 20.292 3.965 0.000) 20.675 1.944 ( 14.480 3.191 0.000) 14.827 2.037 ( 0.140 -1.777 0.000) 1.783 2.045 ( -5.618 0.240 0.000) 5.623 2.099 ( -2.377 1.981 0.000) 3.094 2.125 ( 6.285 -4.376 0.000) 7.658 2.175 ( 1.347 0.017 0.000) 1.347 2.268 ( -5.207 -0.688 0.000) 5.252 2.291 ( -0.829 -0.910 0.000) 1.231 2.359 ( -8.383 -0.222 0.000) 8.386 2.464 ( -6.000 -5.087 0.000) 7.867 2.684 ( -2.029 3.973 0.000) 4.461 2.700 ( -4.633 6.564 0.000) 8.035 2.819 ( 3.416 -2.003 0.000) 3.960 2.896 ( -1.373 -3.036 0.000) 3.332 3.953 ( 8.522 1.280 0.000) 8.617 4.028 ( 7.937 -1.958 0.000) 8.175 4.097 ( -2.670 1.519 0.000) 3.072 4.171 ( -3.879 -1.559 0.000) 4.181 4.497 ( 4.878 2.111 0.000) 5.315 4.525 ( 1.626 1.800 0.000) 2.425 4.583 ( 4.460 -1.730 0.000) 4.784 4.614 ( 0.975 -2.315 0.000) 2.512 4.810 ( 2.236 4.857 0.000) 5.347 4.929 ( 0.910 4.953 0.000) 5.036 4.994 ( -2.840 1.899 0.000) 3.416 5.020 ( 0.860 -1.835 0.000) 2.027 5.028 ( -0.995 -0.120 0.000) 1.002 5.077 ( -0.167 -0.980 0.000) 0.994 5.145 ( -0.594 -3.635 0.000) 3.683 5.211 ( -2.702 -1.636 0.000) 3.158 5.239 ( -0.207 1.400 0.000) 1.415 5.290 ( -1.295 -0.983 0.000) 1.626 5.301 ( -1.992 -0.060 0.000) 1.993 5.397 ( -11.783 -6.699 0.000) 13.554 5.579 ( 0.629 1.556 0.000) 1.678 5.588 ( -0.380 1.657 0.000) 1.700 5.656 ( 1.178 -1.771 0.000) 2.127 5.674 ( -0.418 -2.361 0.000) 2.397 5.859 ( 1.257 3.732 0.000) 3.938 5.874 ( -0.472 5.973 0.000) 5.992 6.006 ( 2.526 -2.754 0.000) 3.737 6.021 ( 1.825 -1.339 0.000) 2.264 6.093 ( 3.850 2.732 0.000) 4.721 6.213 ( -6.377 2.783 0.000) 6.958 6.238 ( 3.387 -2.251 0.000) 4.067 6.318 ( -4.100 -2.025 0.000) 4.573 6.419 ( 0.158 0.389 0.000) 0.419 6.431 ( -0.844 -0.230 0.000) 0.875 6.437 ( 0.753 0.394 0.000) 0.850 6.451 ( 0.128 -0.561 0.000) 0.576 6.638 ( 3.859 0.544 0.000) 3.897 6.694 ( 3.293 -1.863 0.000) 3.784 6.733 ( -4.796 0.309 0.000) 4.806 6.765 ( -3.613 -1.246 0.000) 3.822 7.157 ( 8.809 4.652 0.000) 9.961 7.261 ( -2.070 1.413 0.000) 2.506 7.318 ( 1.264 -1.081 0.000) 1.663 7.389 ( -4.665 -4.445 0.000) 6.444 7.566 ( 3.029 3.683 0.000) 4.768 7.633 ( -3.720 2.092 0.000) 4.268 7.769 ( 5.322 -4.753 0.000) 7.135 7.830 ( 0.074 -7.809 0.000) 7.809 12.732 ( 1.495 0.829 0.000) 1.709 12.757 ( -0.471 0.624 0.000) 0.782 12.766 ( 0.997 -0.620 0.000) 1.174 12.786 ( -0.666 -0.581 0.000) 0.884 12.895 ( 3.250 1.291 0.000) 3.497 12.956 ( 3.423 -1.347 0.000) 3.679 12.972 ( -3.471 1.168 0.000) 3.662 13.025 ( -2.969 -1.058 0.000) 3.152 13.690 ( 1.652 0.807 0.000) 1.839 13.733 ( 1.479 -0.967 0.000) 1.767 13.733 ( -2.348 0.735 0.000) 2.460 13.771 ( -2.039 -0.860 0.000) 2.213 14.321 ( 6.870 1.139 0.000) 6.964 14.374 ( 6.722 -1.169 0.000) 6.823 14.462 ( -6.097 1.171 0.000) 6.208 14.516 ( -6.291 -1.095 0.000) 6.386 17.049 ( 4.029 1.011 0.000) 4.153 17.111 ( 3.420 -1.712 0.000) 3.825 17.132 ( -3.633 0.945 0.000) 3.754 17.186 ( -3.476 -1.526 0.000) 3.796 17.302 ( 1.006 2.380 0.000) 2.584 17.332 ( -1.585 2.555 0.000) 3.006 17.402 ( 2.203 -2.060 0.000) 3.016 17.449 ( -2.068 -2.331 0.000) 3.116 17.528 ( 1.277 1.813 0.000) 2.218 17.569 ( -2.303 2.394 0.000) 3.321 17.677 ( 2.131 -5.949 0.000) 6.319 17.710 ( -1.172 -3.823 0.000) 3.998 17.960 ( 0.690 0.683 0.000) 0.971 17.970 ( -0.193 0.911 0.000) 0.931 17.989 ( 0.957 -0.563 0.000) 1.110 18.006 ( -0.609 -0.661 0.000) 0.899 18.849 ( 3.902 1.469 0.000) 4.169 18.897 ( -1.311 4.449 0.000) 4.638 18.914 ( 0.920 -1.356 0.000) 1.639 19.005 ( -7.465 -0.955 0.000) 7.526 19.084 ( 3.307 1.719 0.000) 3.727 19.159 ( -3.580 0.785 0.000) 3.665 19.163 ( 2.741 -1.570 0.000) 3.158 19.224 ( -2.760 -1.834 0.000) 3.313 28.290 ( 0.102 0.171 0.000) 0.199 28.298 ( 0.128 -0.112 0.000) 0.170 28.308 ( -1.569 0.113 0.000) 1.573 28.314 ( -1.379 -0.098 0.000) 1.382 28.443 ( 2.090 0.138 0.000) 2.094 28.452 ( 2.233 -0.238 0.000) 2.245 28.478 ( -1.155 0.107 0.000) 1.160 28.488 ( -1.043 -0.333 0.000) 1.095 31.386 ( 0.622 2.139 0.000) 2.227 31.399 ( -0.597 1.905 0.000) 1.996 31.430 ( 2.099 2.654 0.000) 3.384 31.477 ( -2.138 0.586 0.000) 2.217 31.518 ( 0.991 -1.236 0.000) 1.584 31.545 ( -1.655 0.816 0.000) 1.846 31.624 ( 2.536 -3.118 0.000) 4.019 31.683 ( -2.866 -2.834 0.000) 4.030 31.888 ( 4.522 0.225 0.000) 4.528 31.937 ( 2.987 -1.627 0.000) 3.402 31.970 ( -2.942 -0.631 0.000) 3.009 31.986 ( -1.797 -0.769 0.000) 1.955 32.242 ( 0.616 0.793 0.000) 1.005 32.280 ( 1.855 -0.708 0.000) 1.986 32.281 ( -3.031 1.219 0.000) 3.267 32.318 ( -1.013 0.727 0.000) 1.247 32.420 ( 5.562 6.637 0.000) 8.659 32.496 ( -2.097 8.644 0.000) 8.895 32.853 ( 16.321 -13.231 0.000) 21.010 32.992 ( 1.095 -15.309 0.000) 15.348 33.614 ( 7.929 20.069 0.000) 21.578 33.914 ( -17.096 20.842 0.000) 26.956 34.560 ( 9.422 -24.098 0.000) 25.874 34.702 ( -4.807 -15.125 0.000) 15.871 ======================= Grid point 10 (7/45) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 30 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.576 ( 0.000 -13.401 0.000) 13.401 0.576 ( 0.000 13.401 0.000) 13.401 0.626 ( 0.000 -14.489 0.000) 14.489 0.626 ( 0.000 14.489 0.000) 14.489 1.083 ( 0.000 -24.415 0.000) 24.415 1.083 ( 0.000 24.415 0.000) 24.415 1.767 ( 0.000 -3.117 0.000) 3.117 1.767 ( 0.000 3.117 0.000) 3.117 1.844 ( 0.000 -0.166 0.000) 0.166 1.844 ( 0.000 0.166 0.000) 0.166 1.967 ( 0.000 -0.915 0.000) 0.915 1.967 ( 0.000 0.915 0.000) 0.915 1.995 ( 0.000 -5.121 0.000) 5.121 1.995 ( 0.000 5.121 0.000) 5.121 2.265 ( 0.000 -3.037 0.000) 3.037 2.265 ( 0.000 3.037 0.000) 3.037 2.455 ( 0.000 -6.369 0.000) 6.369 2.455 ( 0.000 6.369 0.000) 6.369 2.582 ( 0.000 -0.925 0.000) 0.925 2.582 ( 0.000 0.925 0.000) 0.925 2.889 ( 0.000 -0.786 0.000) 0.786 2.889 ( 0.000 0.786 0.000) 0.786 3.153 ( 0.000 -3.957 0.000) 3.957 3.153 ( 0.000 3.957 0.000) 3.957 3.532 ( 0.000 -0.864 0.000) 0.864 3.532 ( 0.000 0.864 0.000) 0.864 3.858 ( 0.000 -4.308 0.000) 4.308 3.858 ( 0.000 4.308 0.000) 4.308 4.480 ( 0.000 -0.498 0.000) 0.498 4.480 ( 0.000 0.498 0.000) 0.498 4.553 ( 0.000 -0.335 0.000) 0.335 4.553 ( 0.000 0.335 0.000) 0.335 4.627 ( 0.000 -0.652 0.000) 0.652 4.627 ( 0.000 0.652 0.000) 0.652 4.925 ( 0.000 -3.175 0.000) 3.175 4.925 ( 0.000 3.175 0.000) 3.175 5.176 ( 0.000 -2.591 0.000) 2.591 5.176 ( 0.000 2.591 0.000) 2.591 5.312 ( 0.000 -1.643 0.000) 1.643 5.312 ( 0.000 1.643 0.000) 1.643 5.416 ( 0.000 -1.351 0.000) 1.351 5.416 ( 0.000 1.351 0.000) 1.351 5.420 ( 0.000 -0.623 0.000) 0.623 5.420 ( 0.000 0.623 0.000) 0.623 5.557 ( 0.000 -2.134 0.000) 2.134 5.557 ( 0.000 2.134 0.000) 2.134 5.689 ( 0.000 -1.752 0.000) 1.752 5.689 ( 0.000 1.752 0.000) 1.752 5.857 ( 0.000 -3.057 0.000) 3.057 5.857 ( 0.000 3.057 0.000) 3.057 5.984 ( 0.000 -2.327 0.000) 2.327 5.984 ( 0.000 2.327 0.000) 2.327 6.100 ( 0.000 -0.424 0.000) 0.424 6.100 ( 0.000 0.424 0.000) 0.424 6.371 ( 0.000 -0.551 0.000) 0.551 6.371 ( 0.000 0.551 0.000) 0.551 6.448 ( 0.000 -1.368 0.000) 1.368 6.448 ( 0.000 1.368 0.000) 1.368 6.511 ( 0.000 -1.665 0.000) 1.665 6.511 ( 0.000 1.665 0.000) 1.665 6.549 ( 0.000 -1.018 0.000) 1.018 6.549 ( 0.000 1.018 0.000) 1.018 6.681 ( 0.000 -2.234 0.000) 2.234 6.681 ( 0.000 2.234 0.000) 2.234 6.908 ( 0.000 -0.398 0.000) 0.398 6.908 ( 0.000 0.398 0.000) 0.398 7.386 ( 0.000 -2.489 0.000) 2.489 7.386 ( 0.000 2.489 0.000) 2.489 7.452 ( 0.000 -2.128 0.000) 2.128 7.452 ( 0.000 2.128 0.000) 2.128 7.766 ( 0.000 -0.331 0.000) 0.331 7.766 ( 0.000 0.331 0.000) 0.331 12.708 ( 0.000 -0.304 0.000) 0.304 12.708 ( 0.000 0.304 0.000) 0.304 12.717 ( 0.000 -1.363 0.000) 1.363 12.717 ( 0.000 1.363 0.000) 1.363 12.866 ( 0.000 -0.451 0.000) 0.451 12.866 ( 0.000 0.451 0.000) 0.451 13.075 ( 0.000 -1.249 0.000) 1.249 13.075 ( 0.000 1.249 0.000) 1.249 13.677 ( 0.000 -1.363 0.000) 1.363 13.677 ( 0.000 1.363 0.000) 1.363 13.826 ( 0.000 -0.705 0.000) 0.705 13.826 ( 0.000 0.705 0.000) 0.705 14.155 ( 0.000 -0.798 0.000) 0.798 14.155 ( 0.000 0.798 0.000) 0.798 14.637 ( 0.000 -1.861 0.000) 1.861 14.637 ( 0.000 1.861 0.000) 1.861 16.950 ( 0.000 -0.360 0.000) 0.360 16.950 ( 0.000 0.360 0.000) 0.360 17.237 ( 0.000 -1.481 0.000) 1.481 17.237 ( 0.000 1.481 0.000) 1.481 17.327 ( 0.000 -0.401 0.000) 0.401 17.327 ( 0.000 0.401 0.000) 0.401 17.425 ( 0.000 -0.162 0.000) 0.162 17.425 ( 0.000 0.162 0.000) 0.162 17.519 ( 0.000 -0.404 0.000) 0.404 17.519 ( 0.000 0.404 0.000) 0.404 17.684 ( 0.000 -2.935 0.000) 2.935 17.684 ( 0.000 2.935 0.000) 2.935 17.948 ( 0.000 -0.704 0.000) 0.704 17.948 ( 0.000 0.704 0.000) 0.704 17.994 ( 0.000 -1.441 0.000) 1.441 17.994 ( 0.000 1.441 0.000) 1.441 18.815 ( 0.000 -3.407 0.000) 3.407 18.815 ( 0.000 3.407 0.000) 3.407 19.063 ( 0.000 -2.422 0.000) 2.422 19.063 ( 0.000 2.422 0.000) 2.422 19.231 ( 0.000 -0.690 0.000) 0.690 19.231 ( 0.000 0.690 0.000) 0.690 19.288 ( 0.000 -0.054 0.000) 0.054 19.288 ( 0.000 0.054 0.000) 0.054 28.331 ( 0.000 -0.074 0.000) 0.074 28.331 ( 0.000 0.074 0.000) 0.074 28.356 ( 0.000 -0.144 0.000) 0.144 28.356 ( 0.000 0.144 0.000) 0.144 28.378 ( 0.000 -0.117 0.000) 0.117 28.378 ( 0.000 0.117 0.000) 0.117 28.494 ( 0.000 -0.008 0.000) 0.008 28.494 ( 0.000 0.008 0.000) 0.008 31.419 ( 0.000 -1.556 0.000) 1.556 31.419 ( 0.000 1.556 0.000) 1.556 31.490 ( 0.000 -3.362 0.000) 3.362 31.490 ( 0.000 3.362 0.000) 3.362 31.501 ( 0.000 -0.343 0.000) 0.343 31.501 ( 0.000 0.343 0.000) 0.343 31.601 ( 0.000 -1.668 0.000) 1.668 31.601 ( 0.000 1.668 0.000) 1.668 31.814 ( 0.000 -2.235 0.000) 2.235 31.814 ( 0.000 2.235 0.000) 2.235 31.910 ( 0.000 -2.018 0.000) 2.018 31.910 ( 0.000 2.018 0.000) 2.018 32.016 ( 0.000 -1.393 0.000) 1.393 32.016 ( 0.000 1.393 0.000) 1.393 32.240 ( 0.000 -1.109 0.000) 1.109 32.240 ( 0.000 1.109 0.000) 1.109 32.427 ( 0.000 -1.210 0.000) 1.210 32.427 ( 0.000 1.210 0.000) 1.210 32.700 ( 0.000 -9.971 0.000) 9.971 32.700 ( 0.000 9.971 0.000) 9.971 33.601 ( 0.000 -0.123 0.000) 0.123 33.601 ( 0.000 0.123 0.000) 0.123 34.582 ( 0.000 -13.726 0.000) 13.726 34.582 ( 0.000 13.726 0.000) 13.726 ======================= Grid point 12 (8/45) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 20.625 -10.596 0.000) 23.188 0.893 ( 20.625 10.596 0.000) 23.188 0.916 ( 9.438 -16.491 0.000) 19.001 0.916 ( 9.438 16.491 0.000) 19.001 1.325 ( 29.559 -11.716 0.000) 31.796 1.325 ( 29.559 11.716 0.000) 31.796 1.674 ( -9.643 -1.557 0.000) 9.768 1.674 ( -9.643 1.557 0.000) 9.768 1.825 ( -2.036 -1.348 0.000) 2.442 1.825 ( -2.036 1.348 0.000) 2.442 1.958 ( -0.167 -3.606 0.000) 3.610 1.958 ( -0.167 3.606 0.000) 3.610 2.045 ( 2.649 -5.194 0.000) 5.831 2.045 ( 2.649 5.194 0.000) 5.831 2.204 ( -4.074 -1.203 0.000) 4.248 2.204 ( -4.074 1.203 0.000) 4.248 2.453 ( -10.061 -0.115 0.000) 10.062 2.453 ( -10.061 0.115 0.000) 10.062 2.455 ( -0.595 -1.801 0.000) 1.896 2.455 ( -0.595 1.801 0.000) 1.896 2.859 ( -1.837 -2.155 0.000) 2.831 2.859 ( -1.837 2.155 0.000) 2.831 2.867 ( -11.439 -2.061 0.000) 11.623 2.867 ( -11.439 2.061 0.000) 11.623 3.781 ( 11.578 -3.155 0.000) 12.000 3.781 ( 11.578 3.155 0.000) 12.000 4.023 ( 11.636 -3.889 0.000) 12.269 4.023 ( 11.636 3.889 0.000) 12.269 4.482 ( 0.428 -1.120 0.000) 1.199 4.482 ( 0.428 1.120 0.000) 1.199 4.540 ( 0.523 -1.970 0.000) 2.038 4.540 ( 0.523 1.970 0.000) 2.038 4.840 ( 10.560 -3.693 0.000) 11.187 4.840 ( 10.560 3.693 0.000) 11.187 4.901 ( -1.475 -3.953 0.000) 4.220 4.901 ( -1.475 3.953 0.000) 4.220 5.158 ( -1.850 -2.500 0.000) 3.110 5.158 ( -1.850 2.500 0.000) 3.110 5.274 ( -4.924 -1.010 0.000) 5.027 5.274 ( -4.924 1.010 0.000) 5.027 5.337 ( -5.116 -1.613 0.000) 5.365 5.337 ( -5.116 1.613 0.000) 5.365 5.403 ( -1.772 -5.785 0.000) 6.050 5.403 ( -1.772 5.785 0.000) 6.050 5.590 ( 1.739 -2.027 0.000) 2.670 5.590 ( 1.739 2.027 0.000) 2.670 5.649 ( -2.163 -2.176 0.000) 3.068 5.649 ( -2.163 2.176 0.000) 3.068 5.887 ( 2.430 -3.451 0.000) 4.220 5.887 ( 2.430 3.451 0.000) 4.220 5.983 ( -0.230 -1.368 0.000) 1.387 5.983 ( -0.230 1.368 0.000) 1.387 6.079 ( 1.860 -4.653 0.000) 5.011 6.079 ( 1.860 4.653 0.000) 5.011 6.351 ( -2.431 -0.949 0.000) 2.609 6.351 ( -2.431 0.949 0.000) 2.609 6.442 ( -0.389 -0.847 0.000) 0.933 6.442 ( -0.389 0.847 0.000) 0.933 6.453 ( -2.575 -0.765 0.000) 2.686 6.453 ( -2.575 0.765 0.000) 2.686 6.594 ( 2.642 -1.574 0.000) 3.075 6.594 ( 2.642 1.574 0.000) 3.075 6.826 ( -1.660 -1.453 0.000) 2.206 6.826 ( -1.660 1.453 0.000) 2.206 7.047 ( 17.182 -11.088 0.000) 20.449 7.047 ( 17.182 11.088 0.000) 20.449 7.319 ( -2.730 -1.322 0.000) 3.033 7.319 ( -2.730 1.322 0.000) 3.033 7.557 ( 5.974 -4.074 0.000) 7.231 7.557 ( 5.974 4.074 0.000) 7.231 7.732 ( -2.444 -1.039 0.000) 2.655 7.732 ( -2.444 1.039 0.000) 2.655 12.726 ( 0.874 -1.267 0.000) 1.540 12.726 ( 0.874 1.267 0.000) 1.540 12.749 ( 2.590 -1.148 0.000) 2.833 12.749 ( 2.590 1.148 0.000) 2.833 12.874 ( 1.072 -0.794 0.000) 1.334 12.874 ( 1.072 0.794 0.000) 1.334 13.055 ( -1.877 -1.329 0.000) 2.300 13.055 ( -1.877 1.329 0.000) 2.300 13.685 ( 0.809 -1.331 0.000) 1.557 13.685 ( 0.809 1.331 0.000) 1.557 13.799 ( -2.112 -0.822 0.000) 2.267 13.799 ( -2.112 0.822 0.000) 2.267 14.215 ( 5.134 -1.461 0.000) 5.338 14.215 ( 5.134 1.461 0.000) 5.338 14.597 ( -3.672 -1.761 0.000) 4.072 14.597 ( -3.672 1.761 0.000) 4.072 16.995 ( 3.535 -1.698 0.000) 3.922 16.995 ( 3.535 1.698 0.000) 3.922 17.217 ( -1.961 -1.448 0.000) 2.437 17.217 ( -1.961 1.448 0.000) 2.437 17.330 ( 0.530 -1.702 0.000) 1.783 17.330 ( 0.530 1.702 0.000) 1.783 17.421 ( -0.743 -3.447 0.000) 3.526 17.421 ( -0.743 3.447 0.000) 3.526 17.534 ( 1.524 -1.418 0.000) 2.082 17.534 ( 1.524 1.418 0.000) 2.082 17.669 ( -1.344 -3.305 0.000) 3.568 17.669 ( -1.344 3.305 0.000) 3.568 17.957 ( 0.745 -0.727 0.000) 1.041 17.957 ( 0.745 0.727 0.000) 1.041 17.994 ( -0.060 -1.300 0.000) 1.302 17.994 ( -0.060 1.300 0.000) 1.302 18.833 ( 1.618 -3.213 0.000) 3.597 18.833 ( 1.618 3.213 0.000) 3.597 19.079 ( 1.509 -2.421 0.000) 2.853 19.079 ( 1.509 2.421 0.000) 2.853 19.126 ( -8.486 -4.669 0.000) 9.686 19.126 ( -8.486 4.669 0.000) 9.686 19.242 ( -2.382 -0.977 0.000) 2.574 19.242 ( -2.382 0.977 0.000) 2.574 28.305 ( -1.120 -0.163 0.000) 1.132 28.305 ( -1.120 0.163 0.000) 1.132 28.351 ( -2.050 -0.059 0.000) 2.051 28.351 ( -2.050 0.059 0.000) 2.051 28.396 ( 2.488 -0.158 0.000) 2.493 28.396 ( 2.488 0.158 0.000) 2.493 28.493 ( -0.146 -0.074 0.000) 0.164 28.493 ( -0.146 0.074 0.000) 0.164 31.423 ( 0.371 -1.915 0.000) 1.951 31.423 ( 0.371 1.915 0.000) 1.951 31.459 ( -1.009 -2.711 0.000) 2.893 31.459 ( -1.009 2.711 0.000) 2.893 31.505 ( 1.432 -3.726 0.000) 3.992 31.505 ( 1.432 3.726 0.000) 3.992 31.669 ( -1.623 -4.223 0.000) 4.525 31.669 ( -1.623 4.223 0.000) 4.525 31.816 ( 4.063 -1.791 0.000) 4.440 31.816 ( 4.063 1.791 0.000) 4.440 32.005 ( -1.047 -0.926 0.000) 1.398 32.005 ( -1.047 0.926 0.000) 1.398 32.244 ( 0.422 -0.621 0.000) 0.751 32.244 ( 0.422 0.621 0.000) 0.751 32.249 ( 21.845 -9.146 0.000) 23.682 32.249 ( 21.845 9.146 0.000) 23.682 32.386 ( -2.668 -1.634 0.000) 3.129 32.386 ( -2.668 1.634 0.000) 3.129 32.710 ( 0.720 -11.307 0.000) 11.330 32.710 ( 0.720 11.307 0.000) 11.330 33.752 ( 12.725 -15.370 0.000) 19.954 33.752 ( 12.725 15.370 0.000) 19.954 34.518 ( -5.994 -16.084 0.000) 17.164 34.518 ( -5.994 16.084 0.000) 17.164 ======================= Grid point 14 (9/45) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 40 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.078 ( 10.258 -12.296 0.000) 16.013 1.078 ( 10.258 12.296 0.000) 16.013 1.322 ( 5.908 -2.952 0.000) 6.605 1.322 ( 5.908 2.952 0.000) 6.605 1.412 ( -1.204 -3.174 0.000) 3.395 1.412 ( -1.204 3.174 0.000) 3.395 1.698 ( -9.298 -4.584 0.000) 10.366 1.698 ( -9.298 4.584 0.000) 10.366 1.977 ( 21.549 -2.489 0.000) 21.692 1.977 ( 21.549 2.489 0.000) 21.692 1.980 ( 2.235 -4.054 0.000) 4.629 1.980 ( 2.235 4.054 0.000) 4.629 2.046 ( -2.105 -1.902 0.000) 2.837 2.046 ( -2.105 1.902 0.000) 2.837 2.149 ( -1.207 -2.650 0.000) 2.911 2.149 ( -1.207 2.650 0.000) 2.911 2.270 ( -4.032 -0.910 0.000) 4.133 2.270 ( -4.032 0.910 0.000) 4.133 2.385 ( -7.146 -3.062 0.000) 7.775 2.385 ( -7.146 3.062 0.000) 7.775 2.763 ( 0.435 -3.861 0.000) 3.885 2.763 ( 0.435 3.861 0.000) 3.885 2.815 ( -2.796 -5.371 0.000) 6.055 2.815 ( -2.796 5.371 0.000) 6.055 3.986 ( 8.490 -2.161 0.000) 8.760 3.986 ( 8.490 2.161 0.000) 8.760 4.134 ( -3.392 -2.158 0.000) 4.021 4.134 ( -3.392 2.158 0.000) 4.021 4.542 ( 4.428 -2.419 0.000) 5.046 4.542 ( 4.428 2.419 0.000) 5.046 4.567 ( 1.390 -2.493 0.000) 2.854 4.567 ( 1.390 2.493 0.000) 2.854 4.926 ( 5.549 -6.682 0.000) 8.686 4.926 ( 5.549 6.682 0.000) 8.686 4.988 ( 4.692 -1.766 0.000) 5.013 4.988 ( 4.692 1.766 0.000) 5.013 5.091 ( -4.240 -2.005 0.000) 4.690 5.091 ( -4.240 2.005 0.000) 4.690 5.122 ( -9.177 -7.390 0.000) 11.783 5.122 ( -9.177 7.390 0.000) 11.783 5.266 ( -0.809 -1.424 0.000) 1.638 5.266 ( -0.809 1.424 0.000) 1.638 5.312 ( -4.883 -1.780 0.000) 5.197 5.312 ( -4.883 1.780 0.000) 5.197 5.616 ( 0.800 -2.213 0.000) 2.353 5.616 ( 0.800 2.213 0.000) 2.353 5.628 ( -0.419 -2.427 0.000) 2.463 5.628 ( -0.419 2.427 0.000) 2.463 5.938 ( 2.031 -4.166 0.000) 4.634 5.938 ( 2.031 4.166 0.000) 4.634 5.969 ( -0.964 -3.924 0.000) 4.041 5.969 ( -0.964 3.924 0.000) 4.041 6.171 ( 5.090 -4.505 0.000) 6.798 6.171 ( 5.090 4.505 0.000) 6.798 6.270 ( -4.407 -2.918 0.000) 5.286 6.270 ( -4.407 2.918 0.000) 5.286 6.433 ( 0.046 -0.745 0.000) 0.746 6.433 ( 0.046 0.745 0.000) 0.746 6.436 ( -0.139 -0.726 0.000) 0.739 6.436 ( -0.139 0.726 0.000) 0.739 6.658 ( 3.456 -1.634 0.000) 3.822 6.658 ( 3.456 1.634 0.000) 3.822 6.744 ( -4.532 -0.842 0.000) 4.610 6.744 ( -4.532 0.842 0.000) 4.610 7.274 ( 3.532 -7.004 0.000) 7.844 7.274 ( 3.532 7.004 0.000) 7.844 7.291 ( -0.152 -1.652 0.000) 1.659 7.291 ( -0.152 1.652 0.000) 1.659 7.661 ( 3.407 -5.918 0.000) 6.829 7.661 ( 3.407 5.918 0.000) 6.829 7.699 ( -0.769 -5.186 0.000) 5.243 7.699 ( -0.769 5.186 0.000) 5.243 12.750 ( 1.266 -0.999 0.000) 1.612 12.750 ( 1.266 0.999 0.000) 1.612 12.772 ( -0.421 -0.813 0.000) 0.916 12.772 ( -0.421 0.813 0.000) 0.916 12.925 ( 3.448 -1.750 0.000) 3.867 12.925 ( 3.448 1.750 0.000) 3.867 12.999 ( -3.231 -1.574 0.000) 3.594 12.999 ( -3.231 1.574 0.000) 3.594 13.711 ( 1.577 -1.246 0.000) 2.010 13.711 ( 1.577 1.246 0.000) 2.010 13.751 ( -2.200 -1.095 0.000) 2.458 13.751 ( -2.200 1.095 0.000) 2.458 14.347 ( 6.846 -1.555 0.000) 7.021 14.347 ( 6.846 1.555 0.000) 7.021 14.489 ( -6.210 -1.588 0.000) 6.410 14.489 ( -6.210 1.588 0.000) 6.410 17.076 ( 3.888 -1.781 0.000) 4.276 17.076 ( 3.888 1.781 0.000) 4.276 17.156 ( -3.550 -1.504 0.000) 3.855 17.156 ( -3.550 1.504 0.000) 3.855 17.354 ( 1.615 -2.841 0.000) 3.268 17.354 ( 1.615 2.841 0.000) 3.268 17.392 ( -1.780 -3.443 0.000) 3.876 17.392 ( -1.780 3.443 0.000) 3.876 17.579 ( 2.486 -3.826 0.000) 4.563 17.579 ( 2.486 3.826 0.000) 4.563 17.631 ( -2.230 -4.012 0.000) 4.590 17.631 ( -2.230 4.012 0.000) 4.590 17.975 ( 0.854 -0.833 0.000) 1.193 17.975 ( 0.854 0.833 0.000) 1.193 17.989 ( -0.441 -1.037 0.000) 1.127 17.989 ( -0.441 1.037 0.000) 1.127 18.882 ( 3.058 -1.878 0.000) 3.588 18.882 ( 3.058 1.878 0.000) 3.588 18.971 ( -5.603 -2.874 0.000) 6.297 18.971 ( -5.603 2.874 0.000) 6.297 19.124 ( 2.633 -2.316 0.000) 3.506 19.124 ( 2.633 2.316 0.000) 3.506 19.185 ( -2.928 -1.968 0.000) 3.529 19.185 ( -2.928 1.968 0.000) 3.529 28.294 ( 0.116 -0.224 0.000) 0.252 28.294 ( 0.116 0.224 0.000) 0.252 28.311 ( -1.448 -0.173 0.000) 1.458 28.311 ( -1.448 0.173 0.000) 1.458 28.447 ( 2.129 -0.254 0.000) 2.144 28.447 ( 2.129 0.254 0.000) 2.144 28.482 ( -1.070 -0.266 0.000) 1.103 28.482 ( -1.070 0.266 0.000) 1.103 31.434 ( 0.578 -2.393 0.000) 2.462 31.434 ( 0.578 2.393 0.000) 2.462 31.445 ( -0.521 -2.756 0.000) 2.804 31.445 ( -0.521 2.756 0.000) 2.804 31.548 ( 2.529 -4.262 0.000) 4.956 31.548 ( 2.529 4.262 0.000) 4.956 31.609 ( -3.116 -4.516 0.000) 5.487 31.609 ( -3.116 4.516 0.000) 5.487 31.905 ( 3.760 -1.497 0.000) 4.047 31.905 ( 3.760 1.497 0.000) 4.047 31.970 ( -2.357 -0.629 0.000) 2.439 31.970 ( -2.357 0.629 0.000) 2.439 32.262 ( 1.356 -1.105 0.000) 1.750 32.262 ( 1.356 1.105 0.000) 1.750 32.307 ( -2.899 -1.281 0.000) 3.169 32.307 ( -2.899 1.281 0.000) 3.169 32.608 ( 9.668 -12.098 0.000) 15.487 32.608 ( 9.668 12.098 0.000) 15.487 32.711 ( -1.362 -13.587 0.000) 13.655 32.711 ( -1.362 13.587 0.000) 13.655 34.058 ( 14.552 -26.256 0.000) 30.019 34.058 ( 14.552 26.256 0.000) 30.019 34.334 ( -11.132 -22.184 0.000) 24.821 34.334 ( -11.132 22.184 0.000) 24.821 ======================= Grid point 25 (10/45) ======================= q-point: ( 0.00 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.437 ( 0.000 0.000 21.215) 21.215 0.648 ( 0.000 0.000 30.190) 30.190 1.107 ( 0.000 0.000 48.930) 48.930 1.108 ( 0.000 0.000 19.413) 19.413 1.375 ( 0.000 0.000 28.802) 28.802 1.536 ( 0.000 0.000 -4.519) 4.519 1.687 ( 0.000 0.000 1.525) 1.525 1.862 ( 0.000 0.000 1.188) 1.188 1.869 ( 0.000 0.000 1.416) 1.416 1.883 ( 0.000 0.000 9.156) 9.156 1.905 ( 0.000 0.000 6.306) 6.306 2.104 ( 0.000 0.000 0.113) 0.113 2.108 ( 0.000 0.000 2.766) 2.766 2.120 ( 0.000 0.000 0.743) 0.743 2.158 ( 0.000 0.000 -2.945) 2.945 2.265 ( 0.000 0.000 3.383) 3.383 2.349 ( 0.000 0.000 -0.020) 0.020 2.540 ( 0.000 0.000 -3.812) 3.812 2.725 ( 0.000 0.000 12.400) 12.400 2.735 ( 0.000 0.000 1.185) 1.185 2.807 ( 0.000 0.000 16.144) 16.144 2.866 ( 0.000 0.000 0.394) 0.394 2.876 ( 0.000 0.000 -2.358) 2.358 2.983 ( 0.000 0.000 -0.419) 0.419 3.537 ( 0.000 0.000 1.524) 1.524 3.545 ( 0.000 0.000 2.071) 2.071 3.783 ( 0.000 0.000 1.003) 1.003 3.976 ( 0.000 0.000 1.569) 1.569 4.370 ( 0.000 0.000 -6.975) 6.975 4.395 ( 0.000 0.000 -5.543) 5.543 4.522 ( 0.000 0.000 -2.481) 2.481 4.580 ( 0.000 0.000 -0.660) 0.660 4.718 ( 0.000 0.000 7.805) 7.805 4.731 ( 0.000 0.000 6.460) 6.460 4.923 ( 0.000 0.000 4.205) 4.205 5.001 ( 0.000 0.000 -0.092) 0.092 5.147 ( 0.000 0.000 -4.001) 4.001 5.153 ( 0.000 0.000 4.557) 4.557 5.249 ( 0.000 0.000 1.657) 1.657 5.323 ( 0.000 0.000 2.418) 2.418 5.378 ( 0.000 0.000 1.420) 1.420 5.413 ( 0.000 0.000 0.031) 0.031 5.513 ( 0.000 0.000 3.104) 3.104 5.516 ( 0.000 0.000 -0.238) 0.238 5.571 ( 0.000 0.000 -4.084) 4.084 5.682 ( 0.000 0.000 1.961) 1.961 5.693 ( 0.000 0.000 -2.172) 2.172 5.720 ( 0.000 0.000 -2.479) 2.479 5.817 ( 0.000 0.000 12.961) 12.961 5.859 ( 0.000 0.000 -5.063) 5.063 5.902 ( 0.000 0.000 -1.537) 1.537 5.937 ( 0.000 0.000 -12.321) 12.321 6.018 ( 0.000 0.000 -0.997) 0.997 6.209 ( 0.000 0.000 -4.264) 4.264 6.391 ( 0.000 0.000 3.703) 3.703 6.398 ( 0.000 0.000 4.509) 4.509 6.490 ( 0.000 0.000 1.705) 1.705 6.493 ( 0.000 0.000 0.885) 0.885 6.525 ( 0.000 0.000 -1.666) 1.666 6.623 ( 0.000 0.000 5.219) 5.219 6.633 ( 0.000 0.000 1.799) 1.799 6.667 ( 0.000 0.000 6.486) 6.486 6.731 ( 0.000 0.000 0.221) 0.221 6.758 ( 0.000 0.000 -4.950) 4.950 6.876 ( 0.000 0.000 -2.013) 2.013 6.901 ( 0.000 0.000 -0.758) 0.758 7.380 ( 0.000 0.000 4.546) 4.546 7.470 ( 0.000 0.000 -1.733) 1.733 7.479 ( 0.000 0.000 2.417) 2.417 7.762 ( 0.000 0.000 0.020) 0.020 7.771 ( 0.000 0.000 -0.482) 0.482 8.294 ( 0.000 0.000 -5.776) 5.776 12.568 ( 0.000 0.000 -5.979) 5.979 12.588 ( 0.000 0.000 -6.255) 6.255 12.805 ( 0.000 0.000 -3.894) 3.894 12.809 ( 0.000 0.000 -5.161) 5.161 12.824 ( 0.000 0.000 5.355) 5.355 12.848 ( 0.000 0.000 4.973) 4.973 13.147 ( 0.000 0.000 3.404) 3.404 13.204 ( 0.000 0.000 3.803) 3.803 13.655 ( 0.000 0.000 0.832) 0.832 13.715 ( 0.000 0.000 0.357) 0.357 13.880 ( 0.000 0.000 6.189) 6.189 13.905 ( 0.000 0.000 5.525) 5.525 14.100 ( 0.000 0.000 -1.193) 1.193 14.154 ( 0.000 0.000 -1.791) 1.791 14.574 ( 0.000 0.000 -1.797) 1.797 14.650 ( 0.000 0.000 -2.748) 2.748 16.938 ( 0.000 0.000 0.508) 0.508 16.966 ( 0.000 0.000 0.598) 0.598 17.178 ( 0.000 0.000 -1.717) 1.717 17.255 ( 0.000 0.000 -4.426) 4.426 17.285 ( 0.000 0.000 -2.561) 2.561 17.400 ( 0.000 0.000 1.121) 1.121 17.417 ( 0.000 0.000 -0.098) 0.098 17.430 ( 0.000 0.000 -0.195) 0.195 17.519 ( 0.000 0.000 0.684) 0.684 17.534 ( 0.000 0.000 0.515) 0.515 17.684 ( 0.000 0.000 -4.171) 4.171 17.688 ( 0.000 0.000 -4.379) 4.379 17.954 ( 0.000 0.000 0.254) 0.254 18.025 ( 0.000 0.000 -0.028) 0.028 18.025 ( 0.000 0.000 4.422) 4.422 18.052 ( 0.000 0.000 7.628) 7.628 18.751 ( 0.000 0.000 0.802) 0.802 18.782 ( 0.000 0.000 0.795) 0.795 18.948 ( 0.000 0.000 -0.089) 0.089 19.056 ( 0.000 0.000 -4.488) 4.488 19.214 ( 0.000 0.000 -2.453) 2.453 19.228 ( 0.000 0.000 -1.800) 1.800 19.275 ( 0.000 0.000 -1.284) 1.284 19.280 ( 0.000 0.000 -0.907) 0.907 28.322 ( 0.000 0.000 -0.876) 0.876 28.332 ( 0.000 0.000 -0.055) 0.055 28.340 ( 0.000 0.000 -0.725) 0.725 28.342 ( 0.000 0.000 -1.132) 1.132 28.373 ( 0.000 0.000 -0.181) 0.181 28.386 ( 0.000 0.000 0.072) 0.072 28.469 ( 0.000 0.000 -2.022) 2.022 28.495 ( 0.000 0.000 -0.049) 0.049 31.295 ( 0.000 0.000 -8.127) 8.127 31.333 ( 0.000 0.000 -0.931) 0.931 31.449 ( 0.000 0.000 -4.138) 4.138 31.454 ( 0.000 0.000 -3.044) 3.044 31.474 ( 0.000 0.000 0.263) 0.263 31.569 ( 0.000 0.000 -2.986) 2.986 31.697 ( 0.000 0.000 2.375) 2.375 31.712 ( 0.000 0.000 8.469) 8.469 31.820 ( 0.000 0.000 -3.702) 3.702 31.841 ( 0.000 0.000 4.534) 4.534 31.852 ( 0.000 0.000 9.775) 9.775 31.933 ( 0.000 0.000 6.973) 6.973 31.979 ( 0.000 0.000 -0.062) 0.062 32.068 ( 0.000 0.000 -0.870) 0.870 32.382 ( 0.000 0.000 -7.200) 7.200 32.427 ( 0.000 0.000 15.881) 15.881 32.470 ( 0.000 0.000 6.342) 6.342 32.510 ( 0.000 0.000 5.105) 5.105 32.689 ( 0.000 0.000 21.510) 21.510 32.913 ( 0.000 0.000 -5.974) 5.974 33.591 ( 0.000 0.000 -1.618) 1.618 34.146 ( 0.000 0.000 -2.046) 2.046 34.809 ( 0.000 0.000 -6.838) 6.838 35.253 ( 0.000 0.000 0.509) 0.509 ======================= Grid point 26 (11/45) ======================= q-point: ( 0.20 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.565 ( 11.554 0.000 17.771) 21.197 1.034 ( 22.234 0.000 20.626) 30.328 1.379 ( 18.165 0.000 14.085) 22.986 1.389 ( 26.200 0.000 31.772) 41.182 1.461 ( -5.077 0.000 -1.486) 5.290 1.563 ( 14.124 0.000 16.798) 21.947 1.661 ( -0.931 0.000 4.097) 4.201 1.774 ( -10.731 0.000 6.714) 12.658 1.836 ( -2.954 0.000 3.360) 4.474 1.892 ( -7.205 0.000 1.769) 7.419 1.912 ( 0.756 0.000 6.591) 6.634 2.015 ( 7.084 0.000 4.252) 8.263 2.111 ( -3.102 0.000 -2.313) 3.869 2.117 ( -2.674 0.000 3.719) 4.580 2.129 ( 1.658 0.000 -0.332) 1.691 2.215 ( -0.442 0.000 2.751) 2.786 2.458 ( 4.068 0.000 -0.181) 4.072 2.491 ( -4.321 0.000 -2.399) 4.942 2.618 ( -8.460 0.000 12.930) 15.452 2.661 ( -10.678 0.000 12.593) 16.511 2.701 ( -2.933 0.000 0.543) 2.983 2.801 ( -5.539 0.000 0.825) 5.600 2.882 ( -4.941 0.000 3.868) 6.275 2.900 ( 2.116 0.000 1.362) 2.517 3.724 ( 12.567 0.000 -0.218) 12.569 3.788 ( 13.707 0.000 -4.342) 14.378 3.972 ( 13.245 0.000 1.724) 13.357 4.135 ( 10.921 0.000 1.776) 11.064 4.386 ( -0.667 0.000 -6.781) 6.814 4.428 ( 2.570 0.000 -5.242) 5.838 4.495 ( -1.272 0.000 -2.518) 2.822 4.595 ( 1.252 0.000 -1.352) 1.843 4.817 ( 7.021 0.000 4.922) 8.574 4.858 ( 3.117 0.000 2.303) 3.876 4.896 ( 2.051 0.000 -0.255) 2.067 4.971 ( -1.607 0.000 -1.582) 2.255 5.102 ( -3.705 0.000 -1.868) 4.149 5.151 ( -0.415 0.000 5.519) 5.534 5.231 ( -2.335 0.000 0.942) 2.518 5.288 ( -2.252 0.000 0.854) 2.409 5.306 ( -5.873 0.000 -0.295) 5.881 5.378 ( -5.012 0.000 2.154) 5.456 5.428 ( -5.522 0.000 2.672) 6.134 5.439 ( -2.308 0.000 -2.259) 3.230 5.606 ( 2.714 0.000 -0.568) 2.773 5.690 ( -0.133 0.000 2.953) 2.956 5.707 ( -0.231 0.000 2.430) 2.441 5.723 ( 0.924 0.000 -2.419) 2.589 5.773 ( -0.565 0.000 8.065) 8.085 5.874 ( -4.644 0.000 -6.586) 8.058 5.911 ( 1.046 0.000 -1.288) 1.660 5.929 ( 3.421 0.000 -3.612) 4.975 6.062 ( 2.888 0.000 -2.226) 3.647 6.160 ( -1.951 0.000 -3.941) 4.397 6.368 ( -5.262 0.000 2.037) 5.642 6.389 ( -0.650 0.000 2.340) 2.429 6.440 ( -2.890 0.000 0.614) 2.955 6.461 ( -0.206 0.000 4.333) 4.338 6.550 ( 0.523 0.000 2.260) 2.320 6.556 ( -3.097 0.000 5.763) 6.543 6.660 ( 0.291 0.000 7.161) 7.167 6.671 ( 0.708 0.000 4.109) 4.169 6.766 ( 8.727 0.000 0.530) 8.743 6.839 ( -2.287 0.000 -0.804) 2.424 6.885 ( 0.590 0.000 -1.145) 1.288 7.039 ( 10.863 0.000 -17.434) 20.541 7.329 ( -3.633 0.000 2.974) 4.696 7.355 ( -4.383 0.000 -0.016) 4.383 7.606 ( 4.303 0.000 -1.315) 4.499 7.744 ( -3.075 0.000 1.326) 3.349 7.751 ( 0.175 0.000 1.348) 1.359 8.065 ( -11.725 0.000 3.351) 12.195 12.596 ( 1.991 0.000 -6.472) 6.772 12.611 ( 1.990 0.000 -6.406) 6.708 12.763 ( -2.666 0.000 -3.285) 4.231 12.765 ( -1.998 0.000 -3.666) 4.175 12.892 ( 2.951 0.000 4.061) 5.020 12.903 ( 4.214 0.000 1.307) 4.412 13.124 ( -4.550 0.000 5.460) 7.107 13.125 ( -1.953 0.000 3.096) 3.661 13.687 ( 1.833 0.000 2.065) 2.762 13.727 ( 1.049 0.000 0.711) 1.267 13.840 ( -2.919 0.000 5.208) 5.971 13.873 ( -2.573 0.000 4.562) 5.238 14.169 ( 5.534 0.000 -0.435) 5.551 14.228 ( 5.611 0.000 -2.296) 6.062 14.537 ( -3.317 0.000 -1.491) 3.637 14.609 ( -3.692 0.000 -2.563) 4.494 16.967 ( 2.537 0.000 0.229) 2.548 17.030 ( 4.017 0.000 -1.938) 4.460 17.170 ( -1.295 0.000 -1.322) 1.850 17.242 ( -1.785 0.000 -3.076) 3.556 17.282 ( 0.409 0.000 -2.779) 2.809 17.298 ( -3.445 0.000 1.908) 3.938 17.398 ( -0.287 0.000 0.823) 0.872 17.482 ( -1.115 0.000 -1.758) 2.081 17.517 ( 0.050 0.000 0.741) 0.743 17.557 ( 1.038 0.000 -1.436) 1.772 17.685 ( 0.110 0.000 -4.368) 4.369 17.690 ( 0.357 0.000 -4.411) 4.425 17.962 ( 0.729 0.000 0.654) 0.979 18.024 ( -0.155 0.000 0.199) 0.252 18.024 ( -0.040 0.000 3.679) 3.679 18.042 ( -0.808 0.000 6.668) 6.717 18.771 ( 1.843 0.000 0.595) 1.936 18.805 ( 2.134 0.000 0.985) 2.350 18.982 ( 2.752 0.000 -0.294) 2.768 19.043 ( -1.496 0.000 -5.331) 5.537 19.078 ( -6.963 0.000 5.054) 8.604 19.204 ( -2.344 0.000 -1.849) 2.986 19.224 ( -3.517 0.000 0.651) 3.577 19.267 ( -1.246 0.000 -1.767) 2.162 28.291 ( -1.334 0.000 -0.874) 1.595 28.303 ( -1.174 0.000 -0.506) 1.278 28.347 ( -1.890 0.000 -0.373) 1.927 28.349 ( -1.356 0.000 -0.222) 1.374 28.388 ( 2.261 0.000 -0.370) 2.291 28.396 ( 2.317 0.000 -0.431) 2.357 28.475 ( 0.203 0.000 -1.383) 1.398 28.498 ( 0.063 0.000 -0.240) 0.248 31.298 ( 0.773 0.000 -5.754) 5.805 31.357 ( 1.399 0.000 0.158) 1.408 31.390 ( -1.241 0.000 -1.269) 1.775 31.434 ( -1.857 0.000 -3.261) 3.753 31.568 ( 2.913 0.000 -0.894) 3.047 31.599 ( -0.361 0.000 3.901) 3.918 31.600 ( 3.367 0.000 -0.895) 3.484 31.792 ( -1.804 0.000 -0.665) 1.923 31.849 ( 1.752 0.000 3.725) 4.116 31.911 ( 2.485 0.000 3.830) 4.565 31.977 ( 4.660 0.000 2.412) 5.247 32.013 ( 4.593 0.000 0.676) 4.642 32.060 ( 7.650 0.000 -4.558) 8.905 32.082 ( 1.592 0.000 0.218) 1.607 32.336 ( -4.674 0.000 -3.857) 6.060 32.444 ( 1.242 0.000 10.183) 10.258 32.478 ( 2.191 0.000 4.749) 5.230 32.562 ( 2.584 0.000 8.012) 8.419 32.640 ( 3.963 0.000 14.551) 15.081 33.044 ( 9.587 0.000 2.462) 9.898 33.557 ( -3.603 0.000 0.647) 3.661 34.032 ( -11.082 0.000 -1.609) 11.198 34.799 ( -0.828 0.000 -6.748) 6.798 34.962 ( -14.318 0.000 8.727) 16.768 ======================= Grid point 27 (12/45) ======================= q-point: ( 0.40 0.00 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.901 ( 19.528 0.000 12.693) 23.291 1.344 ( -14.321 0.000 5.894) 15.486 1.384 ( -1.604 0.000 7.808) 7.971 1.467 ( 9.970 0.000 12.538) 16.019 1.492 ( -7.386 0.000 1.572) 7.552 1.688 ( -3.749 0.000 6.858) 7.816 1.775 ( 9.261 0.000 7.932) 12.194 1.844 ( 1.253 0.000 1.643) 2.067 1.865 ( 4.296 0.000 4.533) 6.246 1.931 ( 8.407 0.000 3.623) 9.154 2.001 ( 8.894 0.000 10.290) 13.601 2.082 ( 2.281 0.000 6.442) 6.833 2.092 ( 1.934 0.000 1.626) 2.526 2.169 ( 3.392 0.000 5.070) 6.100 2.217 ( 6.400 0.000 5.634) 8.527 2.233 ( 6.115 0.000 7.185) 9.435 2.368 ( -6.437 0.000 7.731) 10.060 2.371 ( -6.674 0.000 0.507) 6.693 2.408 ( -10.420 0.000 10.703) 14.938 2.575 ( 2.794 0.000 0.946) 2.950 2.593 ( -10.961 0.000 2.329) 11.206 2.658 ( -5.864 0.000 2.053) 6.213 2.875 ( 4.311 0.000 4.284) 6.077 2.941 ( 0.061 0.000 2.200) 2.201 3.962 ( 9.674 0.000 1.195) 9.748 4.030 ( 8.736 0.000 -0.970) 8.789 4.143 ( -1.604 0.000 3.766) 4.093 4.213 ( -4.495 0.000 1.904) 4.882 4.400 ( 5.462 0.000 -7.507) 9.283 4.473 ( -0.097 0.000 -4.180) 4.181 4.552 ( 5.952 0.000 -4.637) 7.545 4.612 ( -0.345 0.000 -2.589) 2.612 4.811 ( -1.042 0.000 3.812) 3.952 4.864 ( -3.681 0.000 0.375) 3.700 5.018 ( 4.766 0.000 -1.573) 5.019 5.020 ( 6.251 0.000 -1.858) 6.521 5.050 ( 0.747 0.000 1.617) 1.781 5.127 ( -1.761 0.000 6.663) 6.892 5.160 ( -3.362 0.000 0.647) 3.423 5.188 ( -5.449 0.000 -0.807) 5.509 5.261 ( -0.313 0.000 2.061) 2.085 5.294 ( -3.078 0.000 -0.953) 3.222 5.328 ( -2.913 0.000 2.984) 4.170 5.343 ( -4.919 0.000 -0.639) 4.961 5.676 ( -0.113 0.000 2.091) 2.094 5.679 ( 3.179 0.000 3.502) 4.730 5.685 ( -1.223 0.000 2.922) 3.167 5.742 ( -1.510 0.000 1.752) 2.313 5.804 ( -0.075 0.000 -2.377) 2.378 5.806 ( 1.707 0.000 3.509) 3.902 5.958 ( 4.592 0.000 -3.734) 5.919 6.002 ( 4.084 0.000 -4.325) 5.949 6.050 ( -3.238 0.000 -1.620) 3.621 6.147 ( -5.977 0.000 -3.468) 6.911 6.248 ( 0.689 0.000 -1.972) 2.089 6.326 ( -4.166 0.000 -1.722) 4.508 6.435 ( 1.389 0.000 4.159) 4.385 6.467 ( -0.987 0.000 3.309) 3.453 6.524 ( 0.504 0.000 5.783) 5.805 6.545 ( -0.815 0.000 4.807) 4.876 6.691 ( 2.610 0.000 4.814) 5.476 6.705 ( 2.458 0.000 0.567) 2.522 6.767 ( -3.710 0.000 2.722) 4.602 6.774 ( -3.399 0.000 -0.185) 3.404 7.064 ( 9.828 0.000 -3.112) 10.309 7.177 ( 1.115 0.000 -8.246) 8.321 7.263 ( -1.477 0.000 -4.305) 4.551 7.288 ( -2.221 0.000 -3.913) 4.499 7.626 ( -0.386 0.000 1.675) 1.719 7.658 ( -3.637 0.000 4.940) 6.135 7.813 ( 4.419 0.000 -0.477) 4.445 7.907 ( -4.762 0.000 -1.203) 4.911 12.645 ( 2.612 0.000 -5.708) 6.277 12.663 ( 2.684 0.000 -6.290) 6.839 12.704 ( -2.854 0.000 -4.500) 5.329 12.719 ( -2.432 0.000 -5.230) 5.768 12.960 ( 3.314 0.000 4.341) 5.461 12.986 ( 3.273 0.000 1.860) 3.765 13.042 ( -3.036 0.000 4.503) 5.431 13.070 ( -3.133 0.000 2.488) 4.001 13.726 ( 1.931 0.000 3.444) 3.949 13.755 ( 1.041 0.000 1.795) 2.075 13.783 ( -1.674 0.000 4.293) 4.608 13.814 ( -2.687 0.000 3.224) 4.197 14.304 ( 6.719 0.000 -0.389) 6.730 14.362 ( 6.736 0.000 -1.903) 7.000 14.439 ( -5.722 0.000 -0.947) 5.800 14.502 ( -6.131 0.000 -2.139) 6.494 17.034 ( 3.550 0.000 -0.493) 3.584 17.100 ( 0.272 0.000 -1.731) 1.753 17.123 ( -0.233 0.000 -0.757) 0.792 17.185 ( -3.252 0.000 -1.720) 3.679 17.278 ( 0.704 0.000 0.512) 0.870 17.293 ( -0.041 0.000 -0.925) 0.926 17.397 ( 0.787 0.000 -0.964) 1.245 17.437 ( -2.525 0.000 -1.803) 3.103 17.527 ( 0.910 0.000 0.583) 1.080 17.551 ( -1.088 0.000 -0.353) 1.144 17.690 ( 0.391 0.000 -4.416) 4.434 17.696 ( -0.004 0.000 -4.320) 4.320 17.984 ( 1.290 0.000 1.664) 2.105 18.011 ( -1.110 0.000 2.292) 2.547 18.025 ( 0.100 0.000 2.601) 2.603 18.028 ( -0.305 0.000 3.056) 3.071 18.830 ( 3.644 0.000 -0.271) 3.654 18.861 ( 2.458 0.000 1.523) 2.892 18.957 ( -4.041 0.000 -3.592) 5.407 18.968 ( -3.879 0.000 2.723) 4.739 19.071 ( 3.755 0.000 -0.273) 3.764 19.145 ( -3.104 0.000 -0.601) 3.162 19.189 ( 0.542 0.000 0.411) 0.680 19.226 ( -2.337 0.000 -1.541) 2.799 28.275 ( -0.061 0.000 -0.923) 0.925 28.284 ( -0.690 0.000 -0.855) 1.099 28.312 ( -0.751 0.000 0.168) 0.769 28.319 ( -1.126 0.000 0.243) 1.151 28.435 ( 1.921 0.000 -0.610) 2.016 28.447 ( 1.959 0.000 -0.698) 2.080 28.470 ( -0.601 0.000 -0.641) 0.878 28.488 ( -1.099 0.000 -0.378) 1.162 31.326 ( 1.779 0.000 -4.347) 4.697 31.367 ( -1.725 0.000 -1.957) 2.608 31.385 ( 1.089 0.000 0.637) 1.261 31.402 ( -0.815 0.000 -1.999) 2.158 31.606 ( 1.010 0.000 3.425) 3.571 31.610 ( 0.544 0.000 4.195) 4.230 31.679 ( 3.546 0.000 1.456) 3.834 31.744 ( -2.613 0.000 1.488) 3.006 31.899 ( 2.851 0.000 -0.614) 2.916 31.941 ( 0.116 0.000 -0.677) 0.686 32.035 ( -0.024 0.000 4.332) 4.333 32.037 ( -2.205 0.000 4.471) 4.985 32.074 ( 3.937 0.000 -3.124) 5.026 32.194 ( -3.872 0.000 -3.847) 5.458 32.225 ( 3.556 0.000 -3.476) 4.973 32.363 ( -6.641 0.000 -0.641) 6.672 32.545 ( 2.747 0.000 8.560) 8.990 32.574 ( -0.066 0.000 13.115) 13.115 33.054 ( 25.869 0.000 2.953) 26.037 33.276 ( 12.657 0.000 7.923) 14.933 33.422 ( -9.477 0.000 2.013) 9.688 33.675 ( -21.737 0.000 3.074) 21.953 34.781 ( -0.579 0.000 -5.741) 5.771 34.796 ( -2.872 0.000 -1.072) 3.066 ======================= Grid point 30 (13/45) ======================= q-point: ( 0.00 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.624 ( 0.000 15.907 14.403) 21.459 0.716 ( 0.000 6.712 27.515) 28.322 1.035 ( 0.000 -7.005 20.223) 21.402 1.188 ( 0.000 8.261 43.486) 44.264 1.217 ( 0.000 -12.866 17.161) 21.448 1.547 ( 0.000 -3.398 12.893) 13.333 1.723 ( 0.000 3.338 1.726) 3.757 1.848 ( 0.000 -2.265 6.314) 6.708 1.870 ( 0.000 0.599 1.969) 2.058 1.913 ( 0.000 4.376 1.198) 4.537 1.915 ( 0.000 0.377 6.565) 6.576 2.013 ( 0.000 -4.281 1.217) 4.450 2.079 ( 0.000 -3.200 4.004) 5.126 2.080 ( 0.000 -2.637 0.443) 2.674 2.235 ( 0.000 2.732 1.134) 2.958 2.313 ( 0.000 5.546 0.418) 5.562 2.327 ( 0.000 -2.140 0.474) 2.192 2.518 ( 0.000 -3.084 -3.118) 4.386 2.735 ( 0.000 0.967 12.273) 12.311 2.759 ( 0.000 0.451 8.365) 8.378 2.857 ( 0.000 2.020 -1.074) 2.288 2.875 ( 0.000 -0.115 -2.083) 2.086 2.893 ( 0.000 4.569 -0.719) 4.626 2.986 ( 0.000 0.041 -2.772) 2.773 3.547 ( 0.000 0.760 1.291) 1.498 3.549 ( 0.000 0.400 1.970) 2.010 3.810 ( 0.000 2.661 1.219) 2.927 3.946 ( 0.000 -2.982 1.484) 3.331 4.374 ( 0.000 0.384 -6.655) 6.666 4.392 ( 0.000 -0.315 -5.638) 5.647 4.531 ( 0.000 0.964 -1.927) 2.155 4.572 ( 0.000 -0.758 -0.588) 0.959 4.722 ( 0.000 0.379 7.565) 7.575 4.731 ( 0.000 -0.022 6.631) 6.631 4.924 ( 0.000 0.580 3.835) 3.879 4.985 ( 0.000 -1.587 0.816) 1.784 5.166 ( 0.000 1.370 3.713) 3.958 5.215 ( 0.000 5.171 -4.849) 7.088 5.236 ( 0.000 -0.854 2.312) 2.465 5.329 ( 0.000 0.470 1.947) 2.003 5.372 ( 0.000 -0.588 1.641) 1.743 5.393 ( 0.000 -1.965 0.251) 1.981 5.524 ( 0.000 1.351 0.232) 1.370 5.548 ( 0.000 2.755 2.220) 3.538 5.568 ( 0.000 -0.395 -3.123) 3.148 5.662 ( 0.000 -2.079 1.880) 2.803 5.694 ( 0.000 0.249 -2.207) 2.221 5.730 ( 0.000 0.558 -2.667) 2.725 5.790 ( 0.000 -1.734 4.341) 4.675 5.842 ( 0.000 -1.723 -4.794) 5.094 5.902 ( 0.000 1.427 -2.743) 3.092 5.996 ( 0.000 -2.143 -0.915) 2.330 6.007 ( 0.000 5.304 -2.905) 6.048 6.190 ( 0.000 -2.267 -2.790) 3.595 6.390 ( 0.000 -0.067 3.729) 3.730 6.397 ( 0.000 -0.207 4.253) 4.258 6.484 ( 0.000 0.009 1.473) 1.473 6.510 ( 0.000 1.188 1.771) 2.132 6.514 ( 0.000 -0.960 -0.579) 1.121 6.616 ( 0.000 -1.547 4.205) 4.481 6.647 ( 0.000 0.918 2.156) 2.344 6.659 ( 0.000 -0.608 6.462) 6.491 6.695 ( 0.000 -4.532 2.771) 5.313 6.719 ( 0.000 -1.224 0.379) 1.282 6.882 ( 0.000 0.530 -1.669) 1.752 6.902 ( 0.000 -0.151 -1.129) 1.139 7.390 ( 0.000 1.029 3.541) 3.687 7.460 ( 0.000 -1.896 2.621) 3.235 7.485 ( 0.000 1.865 1.069) 2.149 7.764 ( 0.000 0.152 -0.000) 0.152 7.765 ( 0.000 -1.251 -0.025) 1.251 7.874 ( 0.000 -25.400 17.626) 30.916 12.572 ( 0.000 0.354 -6.052) 6.062 12.586 ( 0.000 -0.239 -6.245) 6.250 12.805 ( 0.000 -0.169 -4.630) 4.633 12.805 ( 0.000 -0.013 -3.933) 3.933 12.827 ( 0.000 0.334 5.201) 5.212 12.845 ( 0.000 -0.344 4.867) 4.879 13.146 ( 0.000 -0.076 3.839) 3.840 13.168 ( 0.000 -2.027 6.021) 6.353 13.663 ( 0.000 0.813 0.785) 1.130 13.706 ( 0.000 -0.965 0.451) 1.065 13.882 ( 0.000 0.241 6.031) 6.036 13.898 ( 0.000 -0.532 5.506) 5.531 14.118 ( 0.000 1.176 -1.701) 2.068 14.149 ( 0.000 -0.481 -1.748) 1.813 14.584 ( 0.000 1.115 -1.880) 2.185 14.639 ( 0.000 -1.102 -2.613) 2.836 16.944 ( 0.000 0.475 0.296) 0.559 16.963 ( 0.000 -0.359 0.509) 0.623 17.189 ( 0.000 1.095 -1.767) 2.079 17.254 ( 0.000 -0.286 -4.518) 4.527 17.279 ( 0.000 -0.518 -2.799) 2.847 17.301 ( 0.000 -4.728 1.474) 4.953 17.441 ( 0.000 1.041 0.520) 1.163 17.462 ( 0.000 1.061 0.884) 1.381 17.521 ( 0.000 0.259 0.705) 0.751 17.532 ( 0.000 -0.210 0.567) 0.605 17.650 ( 0.000 -1.631 -1.111) 1.973 17.671 ( 0.000 -1.237 -3.801) 3.997 17.960 ( 0.000 0.648 0.337) 0.731 18.001 ( 0.000 -1.315 1.186) 1.771 18.043 ( 0.000 0.730 3.617) 3.690 18.053 ( 0.000 0.052 6.986) 6.986 18.771 ( 0.000 2.058 0.826) 2.217 18.851 ( 0.000 2.729 -2.436) 3.658 18.930 ( 0.000 0.069 -1.505) 1.506 19.038 ( 0.000 -1.940 -4.667) 5.054 19.228 ( 0.000 1.184 -1.867) 2.211 19.230 ( 0.000 0.204 -1.546) 1.559 19.261 ( 0.000 -1.364 -1.063) 1.729 19.270 ( 0.000 -0.572 -1.533) 1.636 28.322 ( 0.000 0.032 -0.799) 0.800 28.327 ( 0.000 -0.302 -0.337) 0.452 28.343 ( 0.000 0.124 -1.046) 1.054 28.344 ( 0.000 0.214 -0.650) 0.684 28.375 ( 0.000 0.174 -0.102) 0.201 28.384 ( 0.000 -0.193 0.073) 0.206 28.471 ( 0.000 0.216 -1.818) 1.831 28.487 ( 0.000 -0.601 -0.362) 0.701 31.304 ( 0.000 1.670 -6.201) 6.422 31.349 ( 0.000 1.436 -1.391) 2.000 31.433 ( 0.000 -1.551 -4.487) 4.747 31.453 ( 0.000 -0.937 -2.920) 3.067 31.490 ( 0.000 1.328 -0.427) 1.395 31.553 ( 0.000 -1.550 -2.006) 2.535 31.703 ( 0.000 0.684 1.833) 1.957 31.722 ( 0.000 0.777 8.389) 8.424 31.775 ( 0.000 -1.869 -2.188) 2.878 31.811 ( 0.000 -2.456 3.846) 4.563 31.934 ( 0.000 4.346 4.436) 6.210 31.952 ( 0.000 1.569 6.955) 7.129 31.991 ( 0.000 1.131 0.501) 1.237 32.054 ( 0.000 -1.392 -0.873) 1.643 32.412 ( 0.000 2.396 5.445) 5.949 32.476 ( 0.000 -0.088 7.574) 7.574 32.480 ( 0.000 5.676 3.323) 6.577 32.525 ( 0.000 2.089 7.581) 7.864 32.667 ( 0.000 -2.115 19.842) 19.954 32.827 ( 0.000 -7.987 -4.495) 9.165 33.642 ( 0.000 5.978 3.825) 7.097 34.226 ( 0.000 2.448 2.478) 3.483 34.544 ( 0.000 -39.247 31.582) 50.376 34.729 ( 0.000 -8.048 -6.255) 10.193 ======================= Grid point 31 (14/45) ======================= q-point: ( 0.20 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.704 ( 8.312 12.802 13.086) 20.105 1.077 ( 21.289 4.347 19.453) 29.164 1.266 ( 3.178 -13.842 5.329) 15.169 1.315 ( 17.586 -5.988 15.146) 23.970 1.453 ( 24.380 6.225 29.528) 38.795 1.634 ( 3.325 1.903 8.442) 9.270 1.699 ( 3.421 1.961 8.668) 9.523 1.765 ( -9.630 -1.452 7.708) 12.420 1.839 ( -3.598 0.536 2.739) 4.553 1.890 ( -1.526 -1.055 3.826) 4.252 1.940 ( -0.697 3.355 5.000) 6.062 1.996 ( 5.037 -0.188 2.452) 5.605 2.067 ( -0.344 -2.562 3.322) 4.209 2.112 ( 0.716 -1.961 -1.032) 2.329 2.164 ( -4.454 2.307 0.250) 5.022 2.211 ( -1.961 -0.108 1.997) 2.801 2.441 ( 1.838 -0.924 -0.020) 2.058 2.482 ( -1.454 -1.437 -1.075) 2.310 2.621 ( -8.930 0.337 12.783) 15.597 2.642 ( -9.339 -0.941 11.883) 15.143 2.755 ( -6.249 3.930 -0.995) 7.448 2.816 ( -4.752 1.163 -0.211) 4.897 2.876 ( -4.935 -0.558 3.050) 5.828 2.893 ( 0.878 -0.722 1.682) 2.031 3.734 ( 12.537 0.951 -0.538) 12.585 3.780 ( 13.353 -0.911 -3.413) 13.812 3.990 ( 12.942 1.994 1.821) 13.221 4.108 ( 11.302 -2.678 1.644) 11.731 4.391 ( -0.132 0.597 -6.329) 6.358 4.422 ( 2.162 -0.618 -5.520) 5.961 4.516 ( -0.788 1.979 -1.735) 2.747 4.587 ( 1.212 -0.982 -0.910) 1.806 4.822 ( 7.238 0.536 4.053) 8.312 4.860 ( 8.528 -0.910 0.128) 8.578 4.881 ( -3.431 0.603 3.321) 4.813 4.960 ( -1.044 -1.616 -0.645) 2.029 5.157 ( -2.456 3.058 1.605) 4.238 5.170 ( -2.966 3.503 0.702) 4.643 5.221 ( -1.734 -1.104 1.405) 2.490 5.289 ( -3.016 -0.038 0.505) 3.058 5.309 ( -4.868 0.184 -0.164) 4.874 5.352 ( -5.042 -2.433 0.743) 5.647 5.435 ( -5.527 0.958 1.657) 5.849 5.452 ( -4.097 0.688 -0.446) 4.178 5.610 ( 2.259 0.602 0.151) 2.342 5.676 ( -0.017 -1.347 3.365) 3.625 5.702 ( -0.135 -0.424 1.520) 1.583 5.738 ( 0.354 -1.492 1.378) 2.061 5.754 ( -0.682 1.639 1.186) 2.135 5.852 ( 0.505 -1.699 -5.462) 5.743 5.932 ( 2.123 1.132 -3.063) 3.894 5.963 ( -1.053 2.759 -0.429) 2.984 6.051 ( 2.505 -0.460 -2.223) 3.380 6.143 ( -1.901 -1.913 -2.872) 3.939 6.367 ( -4.815 -0.057 1.915) 5.182 6.383 ( -1.623 -0.620 1.944) 2.607 6.437 ( -2.064 0.026 2.056) 2.913 6.459 ( -0.387 -0.405 4.679) 4.713 6.546 ( 0.071 -0.118 3.285) 3.288 6.555 ( -2.029 -0.347 4.472) 4.923 6.656 ( 0.423 -0.280 6.522) 6.542 6.664 ( 0.604 -0.658 4.452) 4.540 6.793 ( 7.158 2.432 0.258) 7.564 6.840 ( -2.100 0.064 -0.403) 2.139 6.888 ( 2.790 0.615 -2.274) 3.651 7.012 ( 11.894 -3.093 -14.940) 19.345 7.332 ( -4.104 0.286 2.843) 5.001 7.349 ( -4.349 -0.519 0.440) 4.401 7.608 ( 4.763 0.471 0.333) 4.798 7.742 ( -2.451 -0.798 2.845) 3.839 7.745 ( -1.347 -0.298 0.809) 1.599 7.861 ( -0.410 -14.699 8.799) 17.136 12.598 ( 2.061 0.273 -6.423) 6.752 12.610 ( 2.024 -0.172 -6.412) 6.726 12.765 ( -2.375 0.112 -3.548) 4.271 12.766 ( -2.200 0.076 -3.398) 4.049 12.892 ( 3.198 -0.068 3.822) 4.984 12.897 ( 4.097 -0.435 2.281) 4.710 13.119 ( -3.249 -0.226 5.093) 6.046 13.124 ( -2.247 -0.223 3.671) 4.310 13.688 ( 1.774 0.256 1.881) 2.598 13.718 ( 1.142 -0.827 0.905) 1.676 13.844 ( -2.862 0.393 5.036) 5.806 13.866 ( -2.519 -0.635 4.607) 5.289 14.181 ( 5.288 1.017 -0.706) 5.431 14.220 ( 5.535 -0.794 -1.807) 5.876 14.548 ( -3.329 1.107 -1.650) 3.877 14.599 ( -3.621 -1.018 -2.410) 4.468 16.973 ( 2.627 0.653 0.084) 2.708 17.016 ( 3.738 -1.262 -1.152) 4.111 17.177 ( -1.492 0.765 -1.426) 2.201 17.227 ( -2.487 -1.519 -2.135) 3.613 17.273 ( 0.528 0.262 -2.139) 2.219 17.308 ( 0.359 -0.305 -0.972) 1.080 17.406 ( -1.396 1.163 1.279) 2.222 17.470 ( -1.289 -1.198 -0.749) 1.912 17.524 ( 0.065 0.663 0.447) 0.802 17.556 ( 1.860 -0.354 -1.236) 2.261 17.641 ( -0.596 -2.129 -1.447) 2.642 17.677 ( 0.482 -1.640 -3.269) 3.689 17.964 ( 0.370 0.354 0.734) 0.894 18.000 ( -0.073 -1.342 1.179) 1.788 18.039 ( -0.470 0.584 3.527) 3.606 18.046 ( -0.443 0.231 5.498) 5.521 18.790 ( 1.744 1.962 0.650) 2.705 18.856 ( 0.502 2.806 -1.742) 3.341 18.946 ( 1.160 -1.535 -0.447) 1.975 19.026 ( -1.458 -1.751 -5.375) 5.838 19.127 ( -5.114 3.491 3.009) 6.884 19.207 ( -2.160 0.314 -1.501) 2.649 19.214 ( -3.781 -0.919 0.306) 3.903 19.250 ( -1.229 -1.482 -1.506) 2.445 28.293 ( -1.243 0.261 -0.756) 1.478 28.302 ( -1.081 -0.084 -0.481) 1.186 28.344 ( -1.772 -0.161 -0.481) 1.843 28.347 ( -1.553 -0.215 -0.391) 1.616 28.390 ( 2.208 0.223 -0.271) 2.235 28.396 ( 2.272 -0.029 -0.315) 2.294 28.477 ( 0.193 0.186 -1.255) 1.283 28.492 ( 0.169 -0.528 -0.404) 0.686 31.316 ( 1.041 1.959 -5.504) 5.934 31.369 ( 1.022 0.806 -0.786) 1.521 31.400 ( -0.311 1.143 -1.590) 1.982 31.454 ( -1.041 0.768 -3.227) 3.477 31.561 ( 3.740 -1.157 -1.344) 4.139 31.573 ( 1.254 -2.227 1.567) 2.998 31.594 ( -0.908 0.745 1.687) 2.055 31.731 ( -1.449 -4.388 -1.570) 4.880 31.870 ( 2.664 1.347 5.546) 6.298 31.936 ( 2.265 -0.386 8.153) 8.470 31.974 ( 5.378 1.156 -2.970) 6.251 32.002 ( 1.938 -0.068 0.396) 1.979 32.070 ( 4.378 0.642 -1.585) 4.700 32.089 ( 4.462 0.125 -1.097) 4.597 32.372 ( -5.543 3.359 -2.225) 6.852 32.448 ( -0.402 0.249 7.635) 7.650 32.517 ( 3.246 2.917 5.393) 6.938 32.594 ( 5.387 3.115 5.557) 8.343 32.623 ( 3.087 -0.578 16.749) 17.041 32.939 ( 7.475 -9.408 4.109) 12.700 33.636 ( -0.597 8.865 4.680) 10.042 34.162 ( -7.405 10.858 -2.326) 13.347 34.524 ( -0.261 -33.157 18.499) 37.970 34.708 ( -2.022 -9.733 -5.522) 11.372 ======================= Grid point 32 (15/45) ======================= q-point: ( 0.40 0.25 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.972 ( 16.682 6.956 10.604) 20.955 1.303 ( 3.410 -6.505 2.923) 7.905 1.384 ( -19.223 1.271 7.961) 20.845 1.458 ( 1.937 -0.453 9.921) 10.118 1.488 ( 3.646 1.054 8.148) 8.989 1.669 ( 10.393 -4.747 7.896) 13.889 1.733 ( -6.076 0.844 7.003) 9.310 1.834 ( -1.029 -2.432 3.425) 4.325 1.925 ( 5.072 4.331 3.307) 7.444 1.968 ( 6.446 4.358 4.007) 8.752 2.022 ( 5.076 1.314 6.341) 8.228 2.084 ( 5.192 -0.164 4.332) 6.764 2.106 ( 3.220 1.422 3.916) 5.266 2.162 ( 9.793 -1.464 6.398) 11.789 2.181 ( 3.451 -3.642 7.593) 9.101 2.205 ( 5.557 -1.210 3.729) 6.801 2.363 ( -6.437 0.058 6.621) 9.234 2.390 ( -8.452 0.977 4.789) 9.763 2.402 ( -10.336 -0.338 10.420) 14.681 2.497 ( -4.257 -4.214 4.027) 7.218 2.666 ( -2.692 4.638 -0.476) 5.383 2.721 ( -3.910 5.220 2.288) 6.911 2.845 ( 3.054 -2.996 3.327) 5.419 2.910 ( -0.759 -3.099 2.197) 3.874 3.973 ( 9.832 1.042 1.041) 9.941 4.022 ( 9.520 -0.861 -0.520) 9.573 4.147 ( -2.528 0.697 3.504) 4.377 4.201 ( -4.214 -1.241 2.182) 4.905 4.414 ( 4.578 1.582 -7.534) 8.957 4.499 ( 3.239 0.358 -4.348) 5.434 4.525 ( 1.791 0.044 -4.464) 4.811 4.617 ( 1.352 -0.676 -1.391) 2.054 4.828 ( 0.044 2.697 1.814) 3.251 4.906 ( -0.712 2.911 -0.423) 3.026 4.989 ( 3.960 -1.945 -2.041) 4.862 5.025 ( 4.982 -0.932 -3.076) 5.928 5.054 ( -0.866 1.121 4.217) 4.448 5.127 ( -3.422 0.728 4.869) 5.995 5.153 ( -3.698 -1.173 2.520) 4.626 5.192 ( -5.521 -0.601 -1.206) 5.683 5.255 ( -0.081 -0.097 2.698) 2.701 5.281 ( -1.208 -0.767 0.532) 1.527 5.328 ( -3.702 -0.094 1.966) 4.193 5.342 ( -5.127 -0.349 0.650) 5.180 5.659 ( 0.467 -0.805 1.870) 2.088 5.667 ( 1.307 -0.639 4.014) 4.269 5.690 ( -0.662 -0.465 3.913) 3.995 5.711 ( -1.653 -2.046 3.191) 4.135 5.803 ( 2.576 2.556 -2.417) 4.360 5.883 ( 1.055 3.185 -0.987) 3.497 5.941 ( 1.151 -1.278 -3.143) 3.583 5.999 ( 1.729 -0.676 -3.438) 3.907 6.062 ( 1.138 1.963 -2.657) 3.494 6.164 ( -0.700 0.736 -4.511) 4.624 6.232 ( -2.932 -0.837 -1.573) 3.431 6.304 ( -4.623 -2.069 -1.748) 5.358 6.442 ( 1.335 0.853 4.814) 5.068 6.479 ( 0.292 0.723 3.563) 3.648 6.514 ( -0.460 -0.777 5.319) 5.395 6.539 ( -1.067 -0.702 4.401) 4.583 6.686 ( 2.320 -0.469 4.056) 4.696 6.693 ( 2.172 -1.013 1.273) 2.714 6.765 ( -3.622 0.059 2.085) 4.180 6.776 ( -3.404 -0.124 1.396) 3.681 7.090 ( 9.052 2.590 -4.384) 10.386 7.181 ( 3.488 -0.155 -9.601) 10.216 7.252 ( -3.100 -0.586 -2.325) 3.919 7.283 ( -2.198 -0.684 -4.038) 4.648 7.633 ( -0.946 1.174 2.388) 2.824 7.686 ( -1.513 2.649 4.027) 5.052 7.772 ( 2.363 -4.190 0.463) 4.833 7.846 ( -1.074 -5.192 0.570) 5.333 12.649 ( 2.651 0.404 -5.835) 6.421 12.662 ( 2.702 -0.139 -6.220) 6.783 12.708 ( -2.789 0.364 -4.663) 5.446 12.718 ( -2.482 -0.078 -5.141) 5.709 12.964 ( 3.530 0.407 4.073) 5.405 12.983 ( 3.723 -0.334 2.287) 4.382 13.045 ( -3.372 0.322 4.272) 5.452 13.065 ( -3.248 -0.447 2.777) 4.297 13.727 ( 1.888 0.240 3.117) 3.652 13.751 ( 1.786 -0.567 1.925) 2.686 13.784 ( -2.408 0.344 4.199) 4.853 13.809 ( -2.509 -0.558 3.404) 4.265 14.313 ( 6.614 0.850 -0.662) 6.702 14.354 ( 6.688 -0.871 -1.687) 6.953 14.450 ( -5.710 1.021 -1.056) 5.895 14.494 ( -6.020 -0.839 -1.912) 6.372 17.041 ( 3.420 0.722 -0.735) 3.572 17.092 ( 3.031 -1.242 -1.567) 3.631 17.122 ( -2.933 0.507 -0.835) 3.091 17.168 ( -3.034 -1.386 -1.527) 3.668 17.291 ( 0.983 1.598 -0.857) 2.063 17.326 ( 0.707 2.319 -0.308) 2.444 17.386 ( 0.118 -0.970 -0.431) 1.068 17.425 ( -2.485 -1.223 -1.209) 3.022 17.530 ( 0.438 0.834 -0.083) 0.946 17.572 ( -0.181 1.811 -0.508) 1.890 17.634 ( -0.018 -3.647 -3.114) 4.795 17.688 ( 0.412 -2.253 -2.590) 3.458 17.975 ( 0.476 -0.435 1.546) 1.675 17.999 ( -0.043 -1.422 1.237) 1.885 18.025 ( -0.569 0.896 3.116) 3.292 18.041 ( -0.072 0.305 3.217) 3.232 18.841 ( 2.548 1.280 -0.373) 2.875 18.876 ( 1.707 0.884 -0.013) 1.922 18.952 ( -0.529 -0.919 0.549) 1.194 18.954 ( -4.703 -0.619 -2.576) 5.398 19.097 ( 1.728 2.243 0.519) 2.879 19.151 ( -2.672 0.763 -0.551) 2.833 19.175 ( 0.125 -1.341 0.345) 1.390 19.212 ( -2.029 -1.387 -1.060) 2.676 28.280 ( -0.012 0.433 -0.777) 0.889 28.288 ( -0.415 0.288 -0.663) 0.833 28.308 ( -0.952 -0.336 -0.049) 1.010 28.315 ( -1.188 -0.417 0.016) 1.259 28.437 ( 1.942 0.235 -0.517) 2.023 28.446 ( 2.076 -0.108 -0.538) 2.148 28.471 ( -0.799 0.125 -0.670) 1.050 28.484 ( -1.024 -0.411 -0.427) 1.184 31.341 ( 1.080 1.652 -3.979) 4.442 31.385 ( 0.561 0.567 -1.199) 1.440 31.399 ( -0.615 2.061 -0.603) 2.234 31.432 ( -0.384 2.521 -3.474) 4.310 31.576 ( 0.136 -1.952 4.505) 4.911 31.610 ( 1.208 -0.093 2.771) 3.024 31.647 ( 3.156 -3.008 1.329) 4.558 31.700 ( -1.791 -4.013 0.015) 4.395 31.908 ( 1.340 1.943 1.629) 2.868 31.961 ( 1.003 0.599 2.707) 2.948 32.013 ( -1.256 -1.658 4.241) 4.723 32.033 ( -0.456 -1.232 3.712) 3.938 32.104 ( 3.851 3.136 -4.433) 6.657 32.204 ( 4.668 -0.665 -4.295) 6.378 32.233 ( -5.638 2.271 -2.838) 6.709 32.346 ( -6.708 -1.804 -1.062) 7.027 32.604 ( 3.087 5.641 8.650) 10.778 32.637 ( 0.783 6.869 11.819) 13.693 32.924 ( 13.492 -9.863 4.438) 17.292 33.080 ( 4.550 -14.058 8.422) 17.008 33.647 ( 3.422 19.079 2.757) 19.579 33.916 ( -13.476 19.427 1.405) 23.685 34.553 ( 2.238 -21.756 -0.162) 21.872 34.653 ( -2.601 -14.001 -3.033) 14.560 ======================= Grid point 35 (16/45) ======================= q-point: ( 0.00 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( 0.000 -9.179 23.003) 24.767 0.874 ( 0.000 9.179 23.003) 24.767 0.939 ( 0.000 -16.133 12.577) 20.456 0.939 ( 0.000 16.133 12.577) 20.456 1.388 ( 0.000 -11.422 30.052) 32.149 1.388 ( 0.000 11.422 30.052) 32.149 1.796 ( 0.000 -3.759 2.708) 4.633 1.796 ( 0.000 3.759 2.708) 4.633 1.890 ( 0.000 -1.768 3.414) 3.845 1.890 ( 0.000 1.768 3.414) 3.845 2.004 ( 0.000 -3.686 1.365) 3.931 2.004 ( 0.000 3.686 1.365) 3.931 2.018 ( 0.000 -1.968 4.133) 4.577 2.018 ( 0.000 1.968 4.133) 4.577 2.280 ( 0.000 -2.502 1.291) 2.816 2.280 ( 0.000 2.502 1.291) 2.816 2.430 ( 0.000 -5.887 -1.640) 6.111 2.430 ( 0.000 5.887 -1.640) 6.111 2.754 ( 0.000 -0.783 11.761) 11.787 2.754 ( 0.000 0.783 11.761) 11.787 2.871 ( 0.000 -0.339 -1.639) 1.674 2.871 ( 0.000 0.339 -1.639) 1.674 2.969 ( 0.000 -2.283 -6.218) 6.624 2.969 ( 0.000 2.283 -6.218) 6.624 3.555 ( 0.000 -0.009 1.561) 1.561 3.555 ( 0.000 0.009 1.561) 1.561 3.876 ( 0.000 -4.010 1.389) 4.243 3.876 ( 0.000 4.010 1.389) 4.243 4.383 ( 0.000 -0.513 -6.039) 6.061 4.383 ( 0.000 0.513 -6.039) 6.061 4.553 ( 0.000 -1.198 -0.972) 1.543 4.553 ( 0.000 1.198 -0.972) 1.543 4.729 ( 0.000 -0.277 7.081) 7.086 4.729 ( 0.000 0.277 7.081) 7.086 4.950 ( 0.000 -1.867 2.470) 3.097 4.950 ( 0.000 1.867 2.470) 3.097 5.200 ( 0.000 -1.994 2.298) 3.043 5.200 ( 0.000 1.994 2.298) 3.043 5.314 ( 0.000 -3.474 -1.750) 3.890 5.314 ( 0.000 3.474 -1.750) 3.890 5.362 ( 0.000 -0.030 1.831) 1.832 5.362 ( 0.000 0.030 1.831) 1.832 5.552 ( 0.000 -1.320 -1.056) 1.690 5.552 ( 0.000 1.320 -1.056) 1.690 5.609 ( 0.000 -3.296 2.387) 4.070 5.609 ( 0.000 3.296 2.387) 4.070 5.712 ( 0.000 -1.671 -2.345) 2.879 5.712 ( 0.000 1.671 -2.345) 2.879 5.801 ( 0.000 -2.242 -3.284) 3.977 5.801 ( 0.000 2.242 -3.284) 3.977 5.946 ( 0.000 -2.862 -1.031) 3.041 5.946 ( 0.000 2.862 -1.031) 3.041 6.114 ( 0.000 -5.442 0.225) 5.446 6.114 ( 0.000 5.442 0.225) 5.446 6.392 ( 0.000 -0.233 3.853) 3.860 6.392 ( 0.000 0.233 3.853) 3.860 6.495 ( 0.000 -1.029 1.630) 1.928 6.495 ( 0.000 1.029 1.630) 1.928 6.546 ( 0.000 -3.253 3.577) 4.835 6.546 ( 0.000 3.253 3.577) 4.835 6.650 ( 0.000 -0.216 6.371) 6.374 6.650 ( 0.000 0.216 6.371) 6.374 6.689 ( 0.000 -1.720 1.133) 2.060 6.689 ( 0.000 1.720 1.133) 2.060 6.894 ( 0.000 -0.605 -1.239) 1.379 6.894 ( 0.000 0.605 -1.239) 1.379 7.419 ( 0.000 -2.031 2.751) 3.419 7.419 ( 0.000 2.031 2.751) 3.419 7.564 ( 0.000 -7.636 9.120) 11.895 7.564 ( 0.000 7.636 9.120) 11.895 7.768 ( 0.000 -0.313 0.063) 0.319 7.768 ( 0.000 0.313 0.063) 0.319 12.580 ( 0.000 -0.425 -6.177) 6.192 12.580 ( 0.000 0.425 -6.177) 6.192 12.804 ( 0.000 -0.044 -4.167) 4.168 12.804 ( 0.000 0.044 -4.167) 4.168 12.836 ( 0.000 -0.528 4.949) 4.977 12.836 ( 0.000 0.528 4.949) 4.977 13.147 ( 0.000 -0.360 5.039) 5.052 13.147 ( 0.000 0.360 5.039) 5.052 13.683 ( 0.000 -1.267 0.647) 1.423 13.683 ( 0.000 1.267 0.647) 1.423 13.889 ( 0.000 -0.416 5.677) 5.692 13.889 ( 0.000 0.416 5.677) 5.692 14.137 ( 0.000 -0.843 -1.687) 1.886 14.137 ( 0.000 0.843 -1.687) 1.886 14.612 ( 0.000 -1.610 -2.265) 2.778 14.612 ( 0.000 1.610 -2.265) 2.778 16.954 ( 0.000 -0.538 0.327) 0.629 16.954 ( 0.000 0.538 0.327) 0.629 17.221 ( 0.000 -2.304 -1.800) 2.924 17.221 ( 0.000 2.304 -1.800) 2.924 17.270 ( 0.000 -0.268 -2.650) 2.664 17.270 ( 0.000 0.268 -2.650) 2.664 17.461 ( 0.000 -0.843 1.476) 1.700 17.461 ( 0.000 0.843 1.476) 1.700 17.527 ( 0.000 -0.286 0.702) 0.758 17.527 ( 0.000 0.286 0.702) 0.758 17.647 ( 0.000 -0.974 -2.555) 2.735 17.647 ( 0.000 0.974 -2.555) 2.735 17.978 ( 0.000 -1.128 0.595) 1.275 17.978 ( 0.000 1.128 0.595) 1.275 18.052 ( 0.000 -0.214 5.431) 5.436 18.052 ( 0.000 0.214 5.431) 5.436 18.823 ( 0.000 -3.097 0.668) 3.168 18.823 ( 0.000 3.097 0.668) 3.168 18.985 ( 0.000 -3.543 -4.991) 6.120 18.985 ( 0.000 3.543 -4.991) 6.120 19.237 ( 0.000 -0.536 -0.418) 0.680 19.237 ( 0.000 0.536 -0.418) 0.680 19.255 ( 0.000 -0.890 -2.577) 2.727 19.255 ( 0.000 0.890 -2.577) 2.727 28.323 ( 0.000 -0.116 -0.589) 0.601 28.323 ( 0.000 0.116 -0.589) 0.601 28.345 ( 0.000 -0.034 -0.848) 0.849 28.345 ( 0.000 0.034 -0.848) 0.849 28.379 ( 0.000 -0.245 0.022) 0.246 28.379 ( 0.000 0.245 0.022) 0.246 28.477 ( 0.000 -0.406 -1.215) 1.281 28.477 ( 0.000 0.406 -1.215) 1.281 31.351 ( 0.000 -2.244 -4.779) 5.279 31.351 ( 0.000 2.244 -4.779) 5.279 31.423 ( 0.000 -1.429 -2.766) 3.113 31.423 ( 0.000 1.429 -2.766) 3.113 31.519 ( 0.000 -1.805 -0.601) 1.902 31.519 ( 0.000 1.805 -0.601) 1.902 31.721 ( 0.000 -0.988 3.449) 3.588 31.721 ( 0.000 0.988 3.449) 3.588 31.770 ( 0.000 -1.456 1.346) 1.983 31.770 ( 0.000 1.456 1.346) 1.983 31.974 ( 0.000 -0.140 6.677) 6.679 31.974 ( 0.000 0.140 6.677) 6.679 32.020 ( 0.000 -1.969 -1.312) 2.367 32.020 ( 0.000 1.969 -1.312) 2.367 32.455 ( 0.000 -1.938 10.592) 10.768 32.455 ( 0.000 1.938 10.592) 10.768 32.573 ( 0.000 -0.718 7.155) 7.191 32.573 ( 0.000 0.718 7.155) 7.191 32.666 ( 0.000 -6.442 3.856) 7.508 32.666 ( 0.000 6.442 3.856) 7.508 33.859 ( 0.000 -18.629 20.943) 28.030 33.859 ( 0.000 18.629 20.943) 28.030 34.529 ( 0.000 -11.970 -4.175) 12.677 34.529 ( 0.000 11.970 -4.175) 12.677 ======================= Grid point 37 (17/45) ======================= q-point: ( 0.20 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 4.736 -15.484 8.088) 18.100 0.982 ( 4.736 15.484 8.088) 18.100 1.188 ( 19.545 -6.787 17.111) 26.848 1.188 ( 19.545 6.787 17.111) 26.848 1.592 ( 17.818 -6.766 21.695) 28.878 1.592 ( 17.818 6.766 21.695) 28.878 1.722 ( -6.597 -2.193 6.152) 9.283 1.722 ( -6.597 2.193 6.152) 9.283 1.861 ( -2.011 -1.544 2.828) 3.798 1.861 ( -2.011 1.544 2.828) 3.798 2.009 ( 0.041 -3.444 4.935) 6.018 2.009 ( 0.041 3.444 4.935) 6.018 2.047 ( 2.248 -4.247 0.292) 4.814 2.047 ( 2.248 4.247 0.292) 4.814 2.201 ( -4.827 -1.359 0.215) 5.019 2.201 ( -4.827 1.359 0.215) 5.019 2.447 ( 0.627 -1.596 0.137) 1.720 2.447 ( 0.627 1.596 0.137) 1.720 2.629 ( -9.423 -0.505 12.421) 15.599 2.629 ( -9.423 0.505 12.421) 15.599 2.816 ( -6.338 -1.904 -2.615) 7.116 2.816 ( -6.338 1.904 -2.615) 7.116 2.875 ( -2.023 -0.862 2.720) 3.498 2.875 ( -2.023 0.862 2.720) 3.498 3.757 ( 12.739 -1.373 -1.632) 12.916 3.757 ( 12.739 1.373 -1.632) 12.916 4.045 ( 12.181 -3.513 1.639) 12.783 4.045 ( 12.181 3.513 1.639) 12.783 4.407 ( 1.020 -0.947 -5.840) 6.004 4.407 ( 1.020 0.947 -5.840) 6.004 4.557 ( 0.443 -2.059 -0.756) 2.238 4.557 ( 0.443 2.059 -0.756) 2.238 4.837 ( 7.573 -1.054 2.259) 7.973 4.837 ( 7.573 1.054 2.259) 7.973 4.917 ( -1.774 -2.515 1.677) 3.505 4.917 ( -1.774 2.515 1.677) 3.505 5.191 ( -1.061 -1.759 2.963) 3.606 5.191 ( -1.061 1.759 2.963) 3.606 5.262 ( -4.665 -3.869 -1.101) 6.160 5.262 ( -4.665 3.869 -1.101) 6.160 5.313 ( -4.272 -0.720 -0.213) 4.338 5.313 ( -4.272 0.720 -0.213) 4.338 5.453 ( -5.814 -0.610 0.840) 5.906 5.453 ( -5.814 0.610 0.840) 5.906 5.636 ( 1.185 -2.203 1.885) 3.132 5.636 ( 1.185 2.203 1.885) 3.132 5.707 ( -0.754 -1.021 2.115) 2.466 5.707 ( -0.754 1.021 2.115) 2.466 5.806 ( 1.383 -2.913 -3.629) 4.854 5.806 ( 1.383 2.913 -3.629) 4.854 5.965 ( 1.569 -1.883 -2.113) 3.235 5.965 ( 1.569 1.883 -2.113) 3.235 6.088 ( -1.060 -3.587 -0.966) 3.863 6.088 ( -1.060 3.587 -0.966) 3.863 6.370 ( -3.426 -0.495 1.723) 3.867 6.370 ( -3.426 0.495 1.723) 3.867 6.445 ( -0.910 -0.768 4.301) 4.463 6.445 ( -0.910 0.768 4.301) 4.463 6.548 ( -0.574 -0.278 3.489) 3.547 6.548 ( -0.574 0.278 3.489) 3.547 6.654 ( 0.453 -0.177 5.397) 5.418 6.654 ( 0.453 0.177 5.397) 5.418 6.832 ( 0.189 -1.183 0.340) 1.245 6.832 ( 0.189 1.183 0.340) 1.245 6.933 ( 10.803 -4.226 -7.577) 13.855 6.933 ( 10.803 4.226 -7.577) 13.855 7.339 ( -4.420 -0.459 1.796) 4.793 7.339 ( -4.420 0.459 1.796) 4.793 7.648 ( 4.161 -4.846 6.108) 8.837 7.648 ( 4.161 4.846 6.108) 8.837 7.748 ( -1.083 -0.597 1.199) 1.723 7.748 ( -1.083 0.597 1.199) 1.723 12.605 ( 2.087 -0.331 -6.413) 6.752 12.605 ( 2.087 0.331 -6.413) 6.752 12.767 ( -2.246 -0.070 -3.456) 4.123 12.767 ( -2.246 0.070 -3.456) 4.123 12.892 ( 3.668 -0.115 3.300) 4.935 12.892 ( 3.668 0.115 3.300) 4.935 13.119 ( -2.425 -0.199 4.398) 5.026 13.119 ( -2.425 0.199 4.398) 5.026 13.700 ( 1.425 -0.935 1.357) 2.179 13.700 ( 1.425 0.935 1.357) 2.179 13.853 ( -2.675 -0.602 4.766) 5.499 13.853 ( -2.675 0.602 4.766) 5.499 14.202 ( 5.318 -1.088 -1.164) 5.551 14.202 ( 5.318 1.088 -1.164) 5.551 14.574 ( -3.456 -1.504 -2.036) 4.284 14.574 ( -3.456 1.504 -2.036) 4.284 16.991 ( 3.057 -1.211 -0.295) 3.301 16.991 ( 3.057 1.211 -0.295) 3.301 17.198 ( -1.988 -1.396 -1.690) 2.959 17.198 ( -1.988 1.396 -1.690) 2.959 17.289 ( 1.523 -1.198 -2.261) 2.978 17.289 ( 1.523 1.198 -2.261) 2.978 17.439 ( -1.785 -1.956 0.982) 2.825 17.439 ( -1.785 1.956 0.982) 2.825 17.540 ( 1.032 -1.016 0.208) 1.463 17.540 ( 1.032 1.016 0.208) 1.463 17.641 ( -0.480 -1.612 -2.144) 2.726 17.641 ( -0.480 1.612 -2.144) 2.726 17.977 ( -0.013 -1.013 0.787) 1.283 17.977 ( -0.013 1.013 0.787) 1.283 18.046 ( -0.419 -0.215 4.555) 4.580 18.046 ( -0.419 0.215 4.555) 4.580 18.839 ( 1.336 -2.868 0.529) 3.208 18.839 ( 1.336 2.868 0.529) 3.208 18.978 ( -0.835 -3.136 -4.840) 5.827 18.978 ( -0.835 3.136 -4.840) 5.827 19.184 ( -4.182 -2.300 1.287) 4.943 19.184 ( -4.182 2.300 1.287) 4.943 19.222 ( -1.727 -1.222 -1.574) 2.637 19.222 ( -1.727 1.222 -1.574) 2.637 28.299 ( -1.066 -0.259 -0.539) 1.222 28.299 ( -1.066 0.259 -0.539) 1.222 28.344 ( -1.716 -0.119 -0.578) 1.815 28.344 ( -1.716 0.119 -0.578) 1.815 28.395 ( 2.199 -0.169 -0.195) 2.214 28.395 ( 2.199 0.169 -0.195) 2.214 28.483 ( 0.192 -0.395 -0.872) 0.977 28.483 ( 0.192 0.395 -0.872) 0.977 31.359 ( 0.768 -1.937 -4.320) 4.797 31.359 ( 0.768 1.937 -4.320) 4.797 31.437 ( 0.735 -2.181 -1.568) 2.785 31.437 ( 0.735 2.181 -1.568) 2.785 31.543 ( 1.955 -0.217 0.971) 2.194 31.543 ( 1.955 0.217 0.971) 2.194 31.648 ( -1.991 -4.143 -1.168) 4.743 31.648 ( -1.991 4.143 -1.168) 4.743 31.902 ( 3.997 -2.019 6.230) 7.672 31.902 ( 3.997 2.019 6.230) 7.672 32.001 ( 1.604 -0.613 0.213) 1.730 32.001 ( 1.604 0.613 0.213) 1.730 32.082 ( 4.522 -0.648 -1.565) 4.828 32.082 ( 4.522 0.648 -1.565) 4.828 32.433 ( -4.933 -2.252 2.411) 5.934 32.433 ( -4.933 2.252 2.411) 5.934 32.567 ( 6.290 -2.602 8.912) 11.214 32.567 ( 6.290 2.602 8.912) 11.214 32.747 ( 4.731 -9.796 7.919) 13.456 32.747 ( 4.731 9.796 7.919) 13.456 33.922 ( 5.621 -22.061 14.546) 27.016 33.922 ( 5.621 22.061 14.546) 27.016 34.469 ( -5.541 -14.348 -3.747) 15.830 34.469 ( -5.541 14.348 -3.747) 15.830 ======================= Grid point 39 (18/45) ======================= q-point: ( 0.40 -0.50 0.11) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.137 ( 10.645 -9.678 6.559) 15.811 1.137 ( 10.645 9.678 6.559) 15.811 1.423 ( -13.954 -2.392 6.118) 15.423 1.423 ( -13.954 2.392 6.118) 15.423 1.561 ( 12.428 -5.514 11.395) 17.740 1.561 ( 12.428 5.514 11.395) 17.740 1.777 ( -4.907 -3.089 5.133) 7.744 1.777 ( -4.907 3.089 5.133) 7.744 2.002 ( 1.702 -3.245 1.930) 4.141 2.002 ( 1.702 3.245 1.930) 4.141 2.065 ( 1.920 -4.745 2.352) 5.633 2.065 ( 1.920 4.745 2.352) 5.633 2.110 ( 14.493 -1.875 8.291) 16.802 2.110 ( 14.493 1.875 8.291) 16.802 2.177 ( 4.130 -1.757 5.814) 7.345 2.177 ( 4.130 1.757 5.814) 7.345 2.377 ( -8.985 -1.229 7.997) 12.091 2.377 ( -8.985 1.229 7.997) 12.091 2.430 ( -6.912 -2.695 6.039) 9.566 2.430 ( -6.912 2.695 6.039) 9.566 2.759 ( 1.332 -4.459 0.593) 4.691 2.759 ( 1.332 4.459 0.593) 4.691 2.832 ( -2.822 -4.630 2.476) 5.960 2.832 ( -2.822 4.630 2.476) 5.960 3.998 ( 10.032 -1.500 0.457) 10.154 3.998 ( 10.032 1.500 0.457) 10.154 4.171 ( -3.606 -1.658 2.800) 4.857 4.171 ( -3.606 1.658 2.800) 4.857 4.457 ( 4.171 -2.710 -7.002) 8.589 4.457 ( 4.171 2.710 -7.002) 8.589 4.578 ( 1.173 -3.072 -1.375) 3.564 4.578 ( 1.173 3.072 -1.375) 3.564 4.901 ( 3.618 -3.756 -0.594) 5.249 4.901 ( 3.618 3.756 -0.594) 5.249 4.987 ( 2.347 -2.080 -1.858) 3.645 4.987 ( 2.347 2.080 -1.858) 3.645 5.107 ( -5.899 -3.521 2.735) 7.395 5.107 ( -5.899 3.521 2.735) 7.395 5.156 ( -3.131 -2.149 2.699) 4.659 5.156 ( -3.131 2.149 2.699) 4.659 5.268 ( 0.390 -0.850 1.980) 2.190 5.268 ( 0.390 0.850 1.980) 2.190 5.330 ( -5.157 -0.523 1.621) 5.432 5.330 ( -5.157 0.523 1.621) 5.432 5.657 ( 0.894 -0.558 2.601) 2.807 5.657 ( 0.894 0.558 2.601) 2.807 5.685 ( -1.133 -0.702 4.010) 4.226 5.685 ( -1.133 0.702 4.010) 4.226 5.865 ( 3.076 -3.346 -3.475) 5.721 5.865 ( 3.076 3.346 -3.475) 5.721 5.967 ( -1.716 -2.486 -1.810) 3.521 5.967 ( -1.716 2.486 -1.810) 3.521 6.126 ( 5.072 -3.916 -4.521) 7.842 6.126 ( 5.072 3.916 -4.521) 7.842 6.257 ( -6.295 -2.641 -1.733) 7.043 6.257 ( -6.295 2.641 -1.733) 7.043 6.467 ( 1.827 -1.590 5.345) 5.869 6.467 ( 1.827 1.590 5.345) 5.869 6.520 ( -1.783 -1.110 3.689) 4.244 6.520 ( -1.783 1.110 3.689) 4.244 6.680 ( 1.964 -0.136 2.761) 3.390 6.680 ( 1.964 0.136 2.761) 3.390 6.770 ( -3.445 -0.381 2.150) 4.079 6.770 ( -3.445 0.381 2.150) 4.079 7.148 ( 6.889 -3.030 -7.755) 10.806 7.148 ( 6.889 3.030 -7.755) 10.806 7.261 ( -3.219 -1.302 -2.757) 4.434 7.261 ( -3.219 1.302 -2.757) 4.434 7.682 ( 0.091 -4.165 2.203) 4.712 7.682 ( 0.091 4.165 2.203) 4.712 7.753 ( 0.708 -4.313 2.664) 5.118 7.753 ( 0.708 4.313 2.664) 5.118 12.657 ( 2.702 -0.370 -6.060) 6.645 12.657 ( 2.702 0.370 -6.060) 6.645 12.715 ( -2.622 -0.289 -4.929) 5.591 12.715 ( -2.622 0.289 -4.929) 5.591 12.974 ( 3.907 -0.543 3.280) 5.130 12.974 ( 3.907 0.543 3.280) 5.130 13.054 ( -3.487 -0.603 3.528) 4.997 13.054 ( -3.487 0.603 3.528) 4.997 13.737 ( 1.897 -0.749 2.496) 3.223 13.737 ( 1.897 0.749 2.496) 3.223 13.796 ( -2.459 -0.748 3.769) 4.562 13.796 ( -2.459 0.748 3.769) 4.562 14.333 ( 6.581 -1.198 -1.201) 6.796 14.333 ( 6.581 1.198 -1.201) 6.796 14.473 ( -5.805 -1.289 -1.427) 6.115 14.473 ( -5.805 1.289 -1.427) 6.115 17.062 ( 3.306 -1.499 -1.157) 3.810 17.062 ( 3.306 1.499 -1.157) 3.810 17.142 ( -3.022 -1.313 -1.205) 3.508 17.142 ( -3.022 1.313 -1.205) 3.508 17.329 ( 2.091 -1.992 -1.506) 3.257 17.329 ( 2.091 1.992 -1.506) 3.257 17.394 ( -2.202 -1.868 0.319) 2.905 17.394 ( -2.202 1.868 0.319) 2.905 17.563 ( 0.899 -2.541 -1.279) 2.983 17.563 ( 0.899 2.541 -1.279) 2.983 17.629 ( -0.497 -3.165 -0.839) 3.311 17.629 ( -0.497 3.165 -0.839) 3.311 17.977 ( 0.019 -0.723 0.988) 1.225 17.977 ( 0.019 0.723 0.988) 1.225 18.039 ( -0.208 -0.497 3.277) 3.321 18.039 ( -0.208 0.497 3.277) 3.321 18.871 ( 1.436 -1.431 -0.573) 2.107 18.871 ( 1.436 1.431 -0.573) 2.107 18.945 ( -1.836 -0.366 -1.677) 2.513 18.945 ( -1.836 0.366 -1.677) 2.513 19.140 ( 0.119 -2.043 0.430) 2.091 19.140 ( 0.119 2.043 0.430) 2.091 19.179 ( -1.971 -1.814 -0.425) 2.712 19.179 ( -1.971 1.814 -0.425) 2.712 28.289 ( 0.181 -0.357 -0.427) 0.585 28.289 ( 0.181 0.357 -0.427) 0.585 28.306 ( -1.434 -0.302 -0.359) 1.509 28.306 ( -1.434 0.302 -0.359) 1.509 28.443 ( 2.050 -0.280 -0.411) 2.110 28.443 ( 2.050 0.280 -0.411) 2.110 28.475 ( -0.951 -0.383 -0.584) 1.180 28.475 ( -0.951 0.383 -0.584) 1.180 31.376 ( 0.589 -1.477 -2.874) 3.284 31.376 ( 0.589 1.477 -2.874) 3.284 31.444 ( 0.010 -1.852 -1.981) 2.712 31.444 ( 0.010 1.852 -1.981) 2.712 31.582 ( 1.220 -3.026 1.975) 3.814 31.582 ( 1.220 3.026 1.975) 3.814 31.630 ( -0.098 -2.567 1.430) 2.940 31.630 ( -0.098 2.567 1.430) 2.940 31.953 ( 2.034 -1.921 4.881) 5.626 31.953 ( 2.034 1.921 4.881) 5.626 32.001 ( -1.928 -1.257 2.088) 3.108 32.001 ( -1.928 1.257 2.088) 3.108 32.166 ( 4.884 -2.920 -3.835) 6.862 32.166 ( 4.884 2.920 -3.835) 6.862 32.295 ( -6.814 -3.402 -2.293) 7.953 32.295 ( -6.814 3.402 -2.293) 7.953 32.742 ( 5.847 -8.734 7.027) 12.643 32.742 ( 5.847 8.734 7.027) 12.643 32.825 ( 2.118 -12.253 10.089) 16.013 32.825 ( 2.118 12.253 10.089) 16.013 34.077 ( 8.166 -25.103 2.379) 26.505 34.077 ( 8.166 25.103 2.379) 26.505 34.312 ( -8.266 -20.339 -0.821) 21.970 34.312 ( -8.266 20.339 -0.821) 21.970 ======================= Grid point 50 (19/45) ======================= q-point: ( 0.00 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.893 ( 0.000 0.000 22.024) 22.024 1.247 ( 0.000 0.000 25.974) 25.974 1.495 ( 0.000 0.000 1.490) 1.490 1.590 ( 0.000 0.000 24.629) 24.629 1.754 ( 0.000 0.000 5.101) 5.101 1.803 ( 0.000 0.000 10.441) 10.441 1.881 ( 0.000 0.000 10.060) 10.060 1.896 ( 0.000 0.000 9.302) 9.302 1.907 ( 0.000 0.000 2.145) 2.145 2.073 ( 0.000 0.000 6.667) 6.667 2.077 ( 0.000 0.000 0.789) 0.789 2.138 ( 0.000 0.000 4.573) 4.573 2.140 ( 0.000 0.000 8.355) 8.355 2.203 ( 0.000 0.000 6.512) 6.512 2.245 ( 0.000 0.000 13.012) 13.012 2.356 ( 0.000 0.000 5.196) 5.196 2.382 ( 0.000 0.000 7.234) 7.234 2.452 ( 0.000 0.000 -4.277) 4.277 2.746 ( 0.000 0.000 -0.245) 0.245 2.812 ( 0.000 0.000 -3.668) 3.668 2.877 ( 0.000 0.000 0.363) 0.363 2.897 ( 0.000 0.000 6.403) 6.403 3.110 ( 0.000 0.000 9.114) 9.114 3.146 ( 0.000 0.000 10.515) 10.515 3.536 ( 0.000 0.000 -1.636) 1.636 3.561 ( 0.000 0.000 -0.607) 0.607 3.860 ( 0.000 0.000 7.144) 7.144 4.051 ( 0.000 0.000 5.991) 5.991 4.199 ( 0.000 0.000 -9.350) 9.350 4.269 ( 0.000 0.000 -6.737) 6.737 4.455 ( 0.000 0.000 -3.692) 3.692 4.540 ( 0.000 0.000 -3.088) 3.088 4.800 ( 0.000 0.000 -3.731) 3.731 4.802 ( 0.000 0.000 -2.559) 2.559 5.014 ( 0.000 0.000 -6.755) 6.755 5.046 ( 0.000 0.000 3.731) 3.731 5.050 ( 0.000 0.000 7.179) 7.179 5.230 ( 0.000 0.000 -3.580) 3.580 5.314 ( 0.000 0.000 -2.596) 2.596 5.327 ( 0.000 0.000 -9.247) 9.247 5.336 ( 0.000 0.000 0.413) 0.413 5.364 ( 0.000 0.000 -1.966) 1.966 5.441 ( 0.000 0.000 -0.990) 0.990 5.456 ( 0.000 0.000 1.310) 1.310 5.615 ( 0.000 0.000 6.574) 6.574 5.687 ( 0.000 0.000 -1.147) 1.147 5.694 ( 0.000 0.000 0.398) 0.398 5.721 ( 0.000 0.000 4.707) 4.707 5.816 ( 0.000 0.000 4.838) 4.838 5.851 ( 0.000 0.000 5.220) 5.220 5.874 ( 0.000 0.000 0.284) 0.284 6.036 ( 0.000 0.000 6.999) 6.999 6.039 ( 0.000 0.000 3.189) 3.189 6.123 ( 0.000 0.000 -2.426) 2.426 6.480 ( 0.000 0.000 -1.482) 1.482 6.486 ( 0.000 0.000 -3.856) 3.856 6.518 ( 0.000 0.000 0.965) 0.965 6.533 ( 0.000 0.000 2.322) 2.322 6.553 ( 0.000 0.000 8.804) 8.804 6.575 ( 0.000 0.000 2.354) 2.354 6.677 ( 0.000 0.000 2.187) 2.187 6.736 ( 0.000 0.000 -0.056) 0.056 6.789 ( 0.000 0.000 4.534) 4.534 6.806 ( 0.000 0.000 4.560) 4.560 6.829 ( 0.000 0.000 -2.146) 2.146 6.876 ( 0.000 0.000 -1.762) 1.762 7.464 ( 0.000 0.000 0.548) 0.548 7.485 ( 0.000 0.000 5.021) 5.021 7.538 ( 0.000 0.000 2.973) 2.973 7.748 ( 0.000 0.000 -1.922) 1.922 7.755 ( 0.000 0.000 -0.554) 0.554 8.118 ( 0.000 0.000 -10.688) 10.688 12.453 ( 0.000 0.000 -4.781) 4.781 12.466 ( 0.000 0.000 -5.191) 5.191 12.698 ( 0.000 0.000 -4.953) 4.953 12.715 ( 0.000 0.000 -4.349) 4.349 12.922 ( 0.000 0.000 3.899) 3.899 12.937 ( 0.000 0.000 3.428) 3.428 13.225 ( 0.000 0.000 3.813) 3.813 13.278 ( 0.000 0.000 3.003) 3.003 13.682 ( 0.000 0.000 1.765) 1.765 13.730 ( 0.000 0.000 1.172) 1.172 14.040 ( 0.000 0.000 8.287) 8.287 14.054 ( 0.000 0.000 7.958) 7.958 14.060 ( 0.000 0.000 -2.705) 2.705 14.099 ( 0.000 0.000 -3.373) 3.373 14.526 ( 0.000 0.000 -2.487) 2.487 14.578 ( 0.000 0.000 -3.686) 3.686 16.944 ( 0.000 0.000 -0.082) 0.082 16.975 ( 0.000 0.000 0.068) 0.068 17.149 ( 0.000 0.000 -0.663) 0.663 17.182 ( 0.000 0.000 -2.224) 2.224 17.252 ( 0.000 0.000 -0.119) 0.119 17.396 ( 0.000 0.000 -1.273) 1.273 17.412 ( 0.000 0.000 -1.623) 1.623 17.414 ( 0.000 0.000 -0.198) 0.198 17.529 ( 0.000 0.000 0.109) 0.109 17.549 ( 0.000 0.000 0.670) 0.670 17.598 ( 0.000 0.000 -3.710) 3.710 17.619 ( 0.000 0.000 -1.999) 1.999 17.960 ( 0.000 0.000 0.231) 0.231 18.021 ( 0.000 0.000 -0.437) 0.437 18.116 ( 0.000 0.000 3.886) 3.886 18.182 ( 0.000 0.000 4.228) 4.228 18.774 ( 0.000 0.000 1.264) 1.264 18.808 ( 0.000 0.000 1.623) 1.623 18.946 ( 0.000 0.000 -0.077) 0.077 18.975 ( 0.000 0.000 -2.386) 2.386 19.151 ( 0.000 0.000 -3.172) 3.172 19.178 ( 0.000 0.000 -2.757) 2.757 19.231 ( 0.000 0.000 -2.737) 2.737 19.249 ( 0.000 0.000 -2.031) 2.031 28.307 ( 0.000 0.000 -0.344) 0.344 28.320 ( 0.000 0.000 -0.832) 0.832 28.321 ( 0.000 0.000 -0.885) 0.885 28.333 ( 0.000 0.000 0.174) 0.174 28.369 ( 0.000 0.000 -0.265) 0.265 28.379 ( 0.000 0.000 -0.704) 0.704 28.427 ( 0.000 0.000 -1.740) 1.740 28.487 ( 0.000 0.000 -0.795) 0.795 31.149 ( 0.000 0.000 -5.610) 5.610 31.332 ( 0.000 0.000 0.841) 0.841 31.341 ( 0.000 0.000 -6.168) 6.168 31.421 ( 0.000 0.000 -0.315) 0.315 31.488 ( 0.000 0.000 1.271) 1.271 31.498 ( 0.000 0.000 -3.216) 3.216 31.715 ( 0.000 0.000 -5.949) 5.949 31.740 ( 0.000 0.000 2.210) 2.210 31.882 ( 0.000 0.000 7.796) 7.796 31.884 ( 0.000 0.000 -2.419) 2.419 31.910 ( 0.000 0.000 3.363) 3.363 32.027 ( 0.000 0.000 -2.754) 2.754 32.139 ( 0.000 0.000 10.932) 10.932 32.164 ( 0.000 0.000 12.653) 12.653 32.201 ( 0.000 0.000 -9.100) 9.100 32.599 ( 0.000 0.000 4.265) 4.265 32.601 ( 0.000 0.000 -0.409) 0.409 32.719 ( 0.000 0.000 9.278) 9.278 32.786 ( 0.000 0.000 -2.052) 2.052 33.322 ( 0.000 0.000 33.884) 33.884 33.525 ( 0.000 0.000 -4.655) 4.655 34.119 ( 0.000 0.000 0.321) 0.321 34.663 ( 0.000 0.000 -5.076) 5.076 35.261 ( 0.000 0.000 -0.067) 0.067 ======================= Grid point 51 (20/45) ======================= q-point: ( 0.20 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.982 ( 8.356 0.000 21.076) 22.672 1.425 ( 10.907 0.000 16.639) 19.895 1.475 ( 1.471 0.000 4.541) 4.773 1.695 ( 6.445 0.000 14.154) 15.552 1.723 ( -2.631 0.000 6.597) 7.103 1.852 ( 2.009 0.000 5.911) 6.243 1.874 ( -0.392 0.000 2.995) 3.021 1.909 ( 1.926 0.000 5.193) 5.539 1.920 ( -1.287 0.000 9.028) 9.119 2.013 ( -10.745 0.000 8.640) 13.788 2.052 ( -1.006 0.000 -0.824) 1.301 2.115 ( 3.244 0.000 3.875) 5.053 2.162 ( 2.694 0.000 10.523) 10.862 2.166 ( 2.512 0.000 6.732) 7.186 2.286 ( -1.147 0.000 5.083) 5.211 2.367 ( 7.572 0.000 17.946) 19.478 2.433 ( -1.777 0.000 -2.882) 3.386 2.470 ( 4.130 0.000 5.017) 6.499 2.706 ( -3.328 0.000 -0.321) 3.343 2.757 ( -4.838 0.000 -2.095) 5.272 2.788 ( -7.816 0.000 1.809) 8.023 2.902 ( 1.241 0.000 9.655) 9.734 3.069 ( -2.585 0.000 10.349) 10.667 3.083 ( -4.889 0.000 12.128) 13.076 3.688 ( 11.732 0.000 -3.062) 12.125 3.714 ( 12.122 0.000 -3.307) 12.565 3.993 ( 9.947 0.000 -1.266) 10.027 4.174 ( 10.207 0.000 0.046) 10.207 4.237 ( 1.894 0.000 -5.083) 5.425 4.299 ( 0.929 0.000 -5.528) 5.605 4.402 ( -3.898 0.000 -6.003) 7.157 4.528 ( -0.779 0.000 -4.861) 4.923 4.861 ( 4.391 0.000 -3.472) 5.598 4.885 ( 6.258 0.000 -2.034) 6.580 4.972 ( -2.867 0.000 -2.878) 4.062 5.010 ( -3.247 0.000 7.635) 8.297 5.031 ( -0.732 0.000 0.791) 1.077 5.211 ( -1.109 0.000 -2.813) 3.024 5.220 ( -5.272 0.000 -2.969) 6.050 5.274 ( -4.808 0.000 -7.138) 8.606 5.358 ( 0.821 0.000 5.467) 5.529 5.383 ( 0.874 0.000 -2.291) 2.452 5.440 ( -0.776 0.000 8.209) 8.246 5.455 ( -0.072 0.000 2.194) 2.196 5.620 ( 0.905 0.000 3.256) 3.380 5.679 ( 1.089 0.000 -0.527) 1.210 5.752 ( -0.794 0.000 -0.503) 0.940 5.760 ( 4.645 0.000 0.519) 4.674 5.802 ( 0.963 0.000 5.201) 5.289 5.837 ( -0.247 0.000 2.694) 2.706 5.880 ( 0.191 0.000 1.251) 1.266 5.993 ( -3.740 0.000 6.761) 7.727 6.038 ( -0.514 0.000 1.566) 1.648 6.091 ( -2.419 0.000 -1.196) 2.699 6.358 ( -9.057 0.000 -4.748) 10.226 6.389 ( -6.175 0.000 -2.608) 6.703 6.536 ( -0.030 0.000 3.317) 3.317 6.554 ( 0.068 0.000 3.928) 3.929 6.583 ( 2.068 0.000 5.410) 5.792 6.594 ( 1.360 0.000 1.479) 2.009 6.746 ( 2.890 0.000 1.186) 3.123 6.794 ( -0.615 0.000 2.922) 2.986 6.801 ( 4.300 0.000 3.397) 5.480 6.820 ( 0.371 0.000 -0.778) 0.862 6.850 ( 7.657 0.000 -0.412) 7.668 6.871 ( -0.170 0.000 -0.304) 0.349 7.360 ( -6.161 0.000 0.550) 6.186 7.407 ( -6.497 0.000 3.674) 7.464 7.619 ( 3.578 0.000 1.610) 3.924 7.745 ( -0.494 0.000 -0.840) 0.975 7.759 ( 0.798 0.000 -0.263) 0.840 8.018 ( -7.774 0.000 -6.459) 10.107 12.475 ( 1.933 0.000 -4.904) 5.271 12.486 ( 1.822 0.000 -5.277) 5.583 12.669 ( -2.440 0.000 -4.738) 5.330 12.679 ( -3.006 0.000 -4.205) 5.169 12.954 ( 2.708 0.000 2.740) 3.852 12.968 ( 2.522 0.000 2.833) 3.793 13.193 ( -2.841 0.000 3.072) 4.184 13.211 ( -4.777 0.000 2.997) 5.639 13.733 ( 3.584 0.000 2.369) 4.296 13.752 ( 1.977 0.000 1.797) 2.672 13.955 ( -3.875 0.000 4.373) 5.843 13.982 ( -4.057 0.000 4.553) 6.098 14.169 ( 6.008 0.000 1.054) 6.100 14.192 ( 5.876 0.000 -0.559) 5.903 14.497 ( -2.691 0.000 -2.075) 3.398 14.544 ( -3.159 0.000 -3.330) 4.590 16.967 ( 1.992 0.000 -0.293) 2.013 17.008 ( 2.717 0.000 -0.648) 2.793 17.146 ( -0.734 0.000 -0.526) 0.903 17.182 ( -0.471 0.000 -2.042) 2.095 17.254 ( 0.652 0.000 0.146) 0.668 17.330 ( -3.385 0.000 1.181) 3.585 17.402 ( 0.275 0.000 -0.551) 0.616 17.455 ( 0.146 0.000 -1.380) 1.388 17.520 ( -0.621 0.000 -0.430) 0.756 17.535 ( -0.850 0.000 -0.502) 0.987 17.594 ( -0.233 0.000 -4.493) 4.499 17.608 ( -0.835 0.000 -2.790) 2.912 17.978 ( 1.557 0.000 0.705) 1.709 18.024 ( 0.277 0.000 -0.173) 0.327 18.102 ( -1.108 0.000 3.424) 3.598 18.159 ( -1.997 0.000 3.869) 4.354 18.789 ( 1.406 0.000 1.146) 1.814 18.835 ( 2.471 0.000 1.717) 3.009 18.952 ( -2.104 0.000 -2.176) 3.027 18.979 ( 2.928 0.000 -0.502) 2.971 19.104 ( -3.986 0.000 -1.413) 4.229 19.167 ( -1.100 0.000 -1.710) 2.033 19.209 ( -1.655 0.000 -1.806) 2.450 19.222 ( -1.963 0.000 -2.270) 3.001 28.274 ( -1.344 0.000 -0.520) 1.441 28.293 ( -1.182 0.000 -0.300) 1.220 28.339 ( -1.718 0.000 -0.430) 1.771 28.342 ( -0.460 0.000 -0.400) 0.610 28.380 ( 1.792 0.000 -0.359) 1.827 28.383 ( 2.169 0.000 -0.689) 2.276 28.445 ( 0.847 0.000 -1.371) 1.612 28.487 ( -0.144 0.000 -0.896) 0.908 31.171 ( 2.009 0.000 -5.372) 5.735 31.329 ( 0.844 0.000 -4.490) 4.569 31.379 ( 3.352 0.000 1.993) 3.900 31.399 ( -3.855 0.000 -0.481) 3.884 31.531 ( 5.583 0.000 -1.638) 5.818 31.577 ( 5.184 0.000 -0.902) 5.261 31.675 ( -2.123 0.000 2.123) 3.002 31.712 ( 0.299 0.000 -4.616) 4.625 31.863 ( -0.625 0.000 0.287) 0.688 31.958 ( 1.551 0.000 -0.660) 1.685 32.015 ( 6.141 0.000 0.131) 6.142 32.082 ( 1.083 0.000 0.536) 1.208 32.134 ( 0.479 0.000 7.404) 7.420 32.168 ( 0.156 0.000 11.001) 11.002 32.225 ( 3.662 0.000 -4.395) 5.720 32.504 ( -8.188 0.000 -4.677) 9.429 32.590 ( 0.441 0.000 3.950) 3.975 32.669 ( 1.448 0.000 7.161) 7.306 32.924 ( 7.608 0.000 4.176) 8.679 33.391 ( 6.315 0.000 29.040) 29.718 33.494 ( -3.097 0.000 -5.615) 6.413 34.039 ( -7.386 0.000 2.874) 7.925 34.661 ( 0.108 0.000 -4.415) 4.416 35.088 ( -13.450 0.000 3.698) 13.949 ======================= Grid point 52 (21/45) ======================= q-point: ( 0.40 0.00 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 15.277 0.000 18.143) 23.718 1.453 ( 2.007 0.000 6.558) 6.858 1.574 ( -7.830 0.000 6.224) 10.002 1.611 ( -18.116 0.000 13.282) 22.463 1.707 ( 8.492 0.000 8.532) 12.038 1.796 ( -0.132 0.000 3.637) 3.639 1.868 ( 0.876 0.000 2.763) 2.899 1.876 ( 0.137 0.000 1.284) 1.291 1.964 ( 1.223 0.000 3.611) 3.813 1.979 ( -0.208 0.000 1.665) 1.677 2.121 ( 6.196 0.000 4.521) 7.670 2.188 ( 1.056 0.000 3.667) 3.816 2.255 ( 4.798 0.000 4.383) 6.498 2.260 ( 6.414 0.000 7.717) 10.034 2.310 ( 6.475 0.000 4.845) 8.087 2.381 ( -2.289 0.000 0.640) 2.377 2.475 ( -1.886 0.000 0.489) 1.948 2.560 ( -12.645 0.000 3.727) 13.183 2.592 ( -1.262 0.000 10.127) 10.205 2.628 ( -3.707 0.000 -0.236) 3.714 2.662 ( 8.592 0.000 15.737) 17.930 2.881 ( -7.103 0.000 16.892) 18.325 3.023 ( 1.419 0.000 8.236) 8.357 3.048 ( -0.134 0.000 7.089) 7.090 3.951 ( 12.116 0.000 -2.502) 12.372 3.981 ( 11.730 0.000 -4.073) 12.418 4.176 ( -2.030 0.000 -9.528) 9.742 4.205 ( 3.071 0.000 -2.263) 3.815 4.214 ( -8.147 0.000 -3.675) 8.937 4.324 ( -3.432 0.000 -9.110) 9.735 4.417 ( 9.367 0.000 -7.664) 12.103 4.525 ( -0.605 0.000 -5.511) 5.544 4.890 ( -2.140 0.000 1.663) 2.710 4.896 ( -2.125 0.000 2.594) 3.354 4.987 ( 2.356 0.000 0.504) 2.410 4.994 ( 1.501 0.000 1.914) 2.432 5.102 ( 6.503 0.000 -1.792) 6.746 5.135 ( -1.993 0.000 -1.352) 2.408 5.149 ( -5.166 0.000 -3.525) 6.254 5.204 ( -0.862 0.000 -0.914) 1.257 5.361 ( -0.724 0.000 7.937) 7.970 5.367 ( -2.034 0.000 4.426) 4.871 5.425 ( -0.635 0.000 10.327) 10.346 5.429 ( -1.410 0.000 5.682) 5.854 5.669 ( 3.202 0.000 0.670) 3.271 5.710 ( -0.740 0.000 0.337) 0.813 5.743 ( 3.059 0.000 -1.072) 3.242 5.795 ( -1.601 0.000 5.935) 6.147 5.828 ( 0.559 0.000 5.772) 5.799 5.866 ( -0.549 0.000 -2.951) 3.002 5.911 ( 1.938 0.000 -0.338) 1.967 5.939 ( 4.728 0.000 4.046) 6.222 5.999 ( -3.961 0.000 -4.030) 5.651 6.072 ( -0.076 0.000 -0.889) 0.893 6.157 ( -6.363 0.000 -5.601) 8.477 6.243 ( -7.262 0.000 -5.947) 9.387 6.538 ( 0.311 0.000 3.702) 3.716 6.547 ( -0.458 0.000 3.955) 3.981 6.613 ( 0.822 0.000 3.943) 4.028 6.617 ( 0.492 0.000 2.756) 2.800 6.760 ( 0.774 0.000 3.187) 3.279 6.785 ( -0.466 0.000 2.004) 2.058 6.798 ( -0.626 0.000 3.939) 3.989 6.825 ( -1.860 0.000 2.561) 3.165 7.023 ( 11.154 0.000 -0.632) 11.172 7.050 ( 9.192 0.000 -2.609) 9.555 7.223 ( -7.003 0.000 -1.449) 7.151 7.242 ( -8.943 0.000 0.676) 8.968 7.669 ( 1.980 0.000 1.822) 2.691 7.718 ( -2.148 0.000 1.293) 2.507 7.794 ( 2.253 0.000 -1.346) 2.625 7.865 ( -5.307 0.000 -3.076) 6.134 12.530 ( 3.069 0.000 -4.878) 5.763 12.538 ( 2.827 0.000 -5.326) 6.030 12.606 ( -3.502 0.000 -4.451) 5.663 12.607 ( -3.095 0.000 -4.966) 5.852 13.024 ( 3.619 0.000 1.673) 3.987 13.029 ( 3.069 0.000 2.248) 3.804 13.116 ( -3.872 0.000 2.380) 4.545 13.118 ( -3.792 0.000 1.920) 4.250 13.803 ( 2.855 0.000 3.707) 4.679 13.807 ( 2.790 0.000 3.032) 4.120 13.883 ( -2.724 0.000 4.502) 5.262 13.898 ( -3.636 0.000 4.098) 5.478 14.299 ( 6.050 0.000 0.076) 6.051 14.324 ( 6.328 0.000 -1.400) 6.481 14.416 ( -4.839 0.000 -1.090) 4.961 14.451 ( -5.395 0.000 -2.439) 5.921 17.021 ( 3.038 0.000 -0.521) 3.082 17.068 ( 1.633 0.000 -1.008) 1.919 17.105 ( -1.671 0.000 -0.641) 1.790 17.147 ( -2.610 0.000 -1.489) 3.005 17.288 ( 1.978 0.000 0.690) 2.095 17.302 ( 0.267 0.000 1.636) 1.657 17.397 ( -0.351 0.000 0.692) 0.776 17.421 ( -2.421 0.000 0.087) 2.422 17.516 ( 0.303 0.000 -1.622) 1.650 17.525 ( -0.361 0.000 -1.904) 1.938 17.591 ( -0.060 0.000 -5.420) 5.420 17.594 ( -0.426 0.000 -4.540) 4.560 18.016 ( 1.655 0.000 1.300) 2.104 18.030 ( 0.142 0.000 0.565) 0.582 18.083 ( -0.187 0.000 2.588) 2.595 18.109 ( -2.296 0.000 3.063) 3.828 18.831 ( 2.496 0.000 0.551) 2.556 18.889 ( -1.985 0.000 0.228) 1.998 18.911 ( 3.084 0.000 0.383) 3.107 19.006 ( -4.831 0.000 0.755) 4.889 19.055 ( 3.864 0.000 -1.092) 4.016 19.129 ( -2.740 0.000 -1.026) 2.926 19.181 ( -0.671 0.000 -1.169) 1.348 19.186 ( -1.122 0.000 -2.174) 2.446 28.260 ( -0.007 0.000 -0.436) 0.436 28.271 ( -0.916 0.000 -0.298) 0.963 28.312 ( -0.346 0.000 -0.184) 0.392 28.322 ( -0.990 0.000 -0.021) 0.990 28.421 ( 1.612 0.000 -0.649) 1.738 28.430 ( 1.548 0.000 -0.818) 1.751 28.453 ( 0.161 0.000 -0.975) 0.988 28.474 ( -1.087 0.000 -0.939) 1.436 31.229 ( 3.334 0.000 -4.191) 5.355 31.307 ( -3.940 0.000 -2.811) 4.840 31.381 ( 2.688 0.000 -0.961) 2.855 31.420 ( -0.216 0.000 2.406) 2.416 31.639 ( 4.574 0.000 -0.318) 4.585 31.672 ( 1.096 0.000 0.367) 1.156 31.695 ( 4.135 0.000 0.220) 4.140 31.731 ( 0.442 0.000 -0.994) 1.088 31.848 ( -0.118 0.000 -1.435) 1.440 31.898 ( -4.654 0.000 -4.477) 6.458 32.103 ( 0.758 0.000 -2.084) 2.218 32.109 ( 2.691 0.000 4.301) 5.073 32.144 ( -1.971 0.000 1.234) 2.326 32.155 ( 0.836 0.000 5.153) 5.221 32.255 ( 0.228 0.000 4.610) 4.616 32.340 ( -6.604 0.000 1.333) 6.737 32.667 ( 5.270 0.000 2.032) 5.649 32.724 ( 0.923 0.000 2.049) 2.247 33.128 ( 12.277 0.000 0.683) 12.296 33.373 ( -8.930 0.000 -5.995) 10.756 33.575 ( 10.594 0.000 20.308) 22.905 33.823 ( -12.080 0.000 10.850) 16.237 34.687 ( 3.044 0.000 -1.593) 3.436 34.820 ( -9.923 0.000 3.233) 10.437 ======================= Grid point 55 (22/45) ======================= q-point: ( 0.00 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.980 ( 0.000 8.564 18.939) 20.785 1.285 ( 0.000 3.739 24.844) 25.123 1.392 ( 0.000 -9.223 6.804) 11.461 1.518 ( 0.000 -6.277 23.399) 24.227 1.762 ( 0.000 1.175 5.620) 5.742 1.821 ( 0.000 0.451 7.018) 7.033 1.913 ( 0.000 2.322 9.111) 9.402 1.922 ( 0.000 2.083 6.574) 6.896 1.956 ( 0.000 5.042 4.457) 6.730 2.015 ( 0.000 -4.060 1.356) 4.281 2.045 ( 0.000 -2.742 6.520) 7.073 2.109 ( 0.000 -2.017 3.879) 4.372 2.176 ( 0.000 2.379 15.202) 15.387 2.245 ( 0.000 -0.206 15.097) 15.098 2.262 ( 0.000 3.874 2.122) 4.418 2.355 ( 0.000 -2.373 4.646) 5.217 2.360 ( 0.000 0.803 4.040) 4.119 2.442 ( 0.000 -1.377 -3.143) 3.431 2.764 ( 0.000 1.915 0.335) 1.944 2.819 ( 0.000 0.635 -2.780) 2.851 2.869 ( 0.000 -0.693 -0.201) 0.722 2.877 ( 0.000 -1.886 4.612) 4.982 3.118 ( 0.000 0.697 9.696) 9.721 3.141 ( 0.000 -0.462 10.732) 10.742 3.545 ( 0.000 0.812 -1.588) 1.783 3.562 ( 0.000 0.056 -0.814) 0.816 3.883 ( 0.000 2.357 6.597) 7.006 4.016 ( 0.000 -3.293 5.428) 6.349 4.217 ( 0.000 1.535 -8.225) 8.367 4.265 ( 0.000 -0.574 -6.754) 6.778 4.470 ( 0.000 1.490 -3.706) 3.995 4.530 ( 0.000 -0.983 -3.276) 3.420 4.808 ( 0.000 0.524 -2.123) 2.187 4.810 ( 0.000 0.668 -2.508) 2.595 5.014 ( 0.000 0.263 0.128) 0.292 5.039 ( 0.000 -0.647 3.594) 3.652 5.098 ( 0.000 4.500 -1.830) 4.858 5.233 ( 0.000 -0.038 -1.750) 1.750 5.306 ( 0.000 -0.713 -3.911) 3.975 5.322 ( 0.000 -0.959 -14.768) 14.799 5.342 ( 0.000 0.520 -0.712) 0.882 5.360 ( 0.000 -0.330 -1.621) 1.655 5.424 ( 0.000 -2.206 5.148) 5.600 5.433 ( 0.000 -0.866 -0.145) 0.878 5.636 ( 0.000 1.773 6.264) 6.510 5.682 ( 0.000 -0.318 -0.271) 0.418 5.686 ( 0.000 -0.713 1.250) 1.439 5.709 ( 0.000 -1.154 4.414) 4.562 5.816 ( 0.000 0.341 5.318) 5.329 5.845 ( 0.000 -0.644 5.312) 5.351 5.908 ( 0.000 2.932 0.879) 3.061 6.020 ( 0.000 -2.014 3.095) 3.692 6.055 ( 0.000 1.779 4.518) 4.856 6.115 ( 0.000 -0.805 -2.007) 2.163 6.470 ( 0.000 -0.741 -1.214) 1.422 6.471 ( 0.000 -0.940 -2.564) 2.731 6.535 ( 0.000 1.083 0.930) 1.428 6.543 ( 0.000 0.711 1.702) 1.845 6.560 ( 0.000 0.663 8.017) 8.045 6.577 ( 0.000 0.054 2.559) 2.559 6.689 ( 0.000 1.062 1.934) 2.206 6.730 ( 0.000 -0.667 0.385) 0.770 6.772 ( 0.000 -0.890 3.165) 3.287 6.792 ( 0.000 -1.237 3.965) 4.153 6.850 ( 0.000 1.420 -0.648) 1.561 6.877 ( 0.000 -0.018 -1.088) 1.088 7.465 ( 0.000 0.786 3.346) 3.437 7.524 ( 0.000 -1.345 3.261) 3.528 7.540 ( 0.000 5.159 2.533) 5.747 7.743 ( 0.000 -0.675 -2.102) 2.207 7.757 ( 0.000 0.337 -0.394) 0.519 7.974 ( 0.000 -12.760 -3.922) 13.349 12.456 ( 0.000 0.213 -4.849) 4.853 12.464 ( 0.000 -0.150 -5.141) 5.143 12.700 ( 0.000 0.273 -4.809) 4.817 12.713 ( 0.000 -0.236 -4.415) 4.422 12.924 ( 0.000 0.193 3.830) 3.834 12.934 ( 0.000 -0.224 3.486) 3.493 13.230 ( 0.000 0.528 3.921) 3.956 13.266 ( 0.000 -1.064 3.553) 3.709 13.688 ( 0.000 0.674 1.690) 1.819 13.723 ( 0.000 -0.753 1.258) 1.466 14.039 ( 0.000 -0.098 7.924) 7.924 14.042 ( 0.000 -0.495 5.848) 5.868 14.075 ( 0.000 0.861 -0.708) 1.115 14.097 ( 0.000 -0.277 -3.006) 3.018 14.534 ( 0.000 0.756 -2.667) 2.772 14.571 ( 0.000 -0.759 -3.523) 3.604 16.948 ( 0.000 0.396 -0.079) 0.403 16.970 ( 0.000 -0.528 0.021) 0.529 17.157 ( 0.000 0.836 -0.826) 1.175 17.182 ( 0.000 -0.021 -2.096) 2.096 17.243 ( 0.000 -0.551 -0.323) 0.638 17.313 ( 0.000 -4.778 -0.022) 4.778 17.436 ( 0.000 2.042 -1.097) 2.318 17.459 ( 0.000 1.566 -1.004) 1.860 17.533 ( 0.000 0.442 0.190) 0.482 17.548 ( 0.000 -0.066 0.882) 0.884 17.599 ( 0.000 -0.109 -2.868) 2.870 17.610 ( 0.000 -0.872 -1.927) 2.115 17.965 ( 0.000 0.575 0.108) 0.585 18.006 ( 0.000 -1.308 -0.296) 1.341 18.128 ( 0.000 1.142 3.661) 3.835 18.174 ( 0.000 -0.812 4.026) 4.107 18.794 ( 0.000 1.994 1.189) 2.322 18.834 ( 0.000 2.192 0.568) 2.265 18.921 ( 0.000 -2.056 0.107) 2.058 18.958 ( 0.000 -1.757 -2.146) 2.774 19.164 ( 0.000 1.126 -3.386) 3.568 19.180 ( 0.000 0.157 -2.931) 2.935 19.226 ( 0.000 -0.497 -2.536) 2.584 19.235 ( 0.000 -1.219 -1.798) 2.172 28.309 ( 0.000 0.135 -0.369) 0.393 28.317 ( 0.000 -0.315 -0.630) 0.704 28.323 ( 0.000 0.233 -0.787) 0.821 28.332 ( 0.000 -0.150 -0.238) 0.281 28.372 ( 0.000 0.252 -0.244) 0.350 28.378 ( 0.000 -0.073 -0.605) 0.610 28.434 ( 0.000 0.718 -1.545) 1.703 28.475 ( 0.000 -1.065 -0.803) 1.334 31.175 ( 0.000 2.652 -5.460) 6.069 31.308 ( 0.000 -2.605 -4.692) 5.367 31.356 ( 0.000 1.585 -0.562) 1.682 31.417 ( 0.000 -0.643 -0.381) 0.747 31.491 ( 0.000 0.195 0.366) 0.415 31.492 ( 0.000 -0.313 -3.268) 3.283 31.701 ( 0.000 -0.866 -4.255) 4.342 31.724 ( 0.000 -1.412 1.412) 1.997 31.861 ( 0.000 -0.320 2.904) 2.922 31.891 ( 0.000 -1.408 3.552) 3.821 31.923 ( 0.000 2.235 1.196) 2.535 32.008 ( 0.000 -1.886 -2.648) 3.251 32.162 ( 0.000 2.184 11.476) 11.682 32.195 ( 0.000 2.040 12.787) 12.949 32.276 ( 0.000 6.958 -8.679) 11.124 32.555 ( 0.000 -4.749 -4.526) 6.560 32.638 ( 0.000 3.602 4.251) 5.572 32.715 ( 0.000 -0.451 8.463) 8.475 32.780 ( 0.000 0.729 2.757) 2.852 33.111 ( 0.000 -13.594 14.800) 20.095 33.812 ( 0.000 21.700 13.972) 25.809 34.197 ( 0.000 7.179 -0.933) 7.240 34.602 ( 0.000 -5.980 -3.833) 7.104 34.958 ( 0.000 -27.483 10.446) 29.402 ======================= Grid point 56 (23/45) ======================= q-point: ( 0.20 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.050 ( 6.779 6.704 18.664) 20.959 1.385 ( -0.042 -7.582 7.472) 10.645 1.462 ( 13.478 2.777 17.024) 21.890 1.636 ( 8.463 -4.918 14.568) 17.551 1.740 ( -3.296 1.827 6.062) 7.138 1.837 ( -0.225 -1.288 4.816) 4.991 1.896 ( -2.443 -0.064 2.699) 3.641 1.926 ( -2.152 1.330 6.285) 6.775 1.946 ( -1.672 1.465 5.949) 6.351 1.997 ( 2.072 2.155 5.966) 6.673 2.069 ( 1.505 -2.624 4.276) 5.238 2.106 ( -2.639 1.325 3.032) 4.233 2.140 ( -1.286 0.763 3.624) 3.921 2.229 ( 4.904 3.523 13.742) 15.010 2.261 ( -3.135 -2.521 3.980) 5.659 2.349 ( 5.990 -2.065 17.668) 18.769 2.430 ( 1.457 0.462 -0.785) 1.718 2.471 ( 2.924 -0.546 2.026) 3.599 2.733 ( -2.058 2.593 1.646) 3.697 2.765 ( -5.411 0.934 -1.329) 5.649 2.784 ( -7.332 -0.440 1.439) 7.484 2.878 ( 1.190 -2.585 7.923) 8.419 3.071 ( -3.460 0.165 11.192) 11.716 3.079 ( -4.583 -0.239 12.304) 13.132 3.695 ( 11.624 0.657 -3.017) 12.027 3.714 ( 11.962 -0.120 -3.252) 12.397 4.012 ( 9.824 1.982 -1.222) 10.096 4.135 ( 9.518 -3.323 -0.986) 10.129 4.259 ( 2.265 1.544 -4.217) 5.030 4.297 ( 1.029 -0.316 -4.936) 5.052 4.428 ( -3.066 2.554 -6.125) 7.310 4.519 ( -0.630 -1.072 -5.154) 5.302 4.865 ( 4.564 0.395 -3.015) 5.484 4.882 ( 5.565 -0.317 -1.803) 5.858 4.967 ( -3.538 0.247 1.457) 3.835 5.007 ( -2.315 -0.855 4.812) 5.408 5.078 ( -1.561 4.505 -2.329) 5.306 5.210 ( -1.877 -0.102 -2.197) 2.891 5.220 ( -4.634 -0.086 -3.397) 5.747 5.253 ( -4.872 -2.336 -8.972) 10.474 5.361 ( 1.054 0.414 5.841) 5.949 5.388 ( 1.182 0.252 -1.746) 2.123 5.423 ( -0.019 -0.914 8.606) 8.655 5.452 ( -0.086 -0.597 1.495) 1.613 5.625 ( 0.554 0.553 3.054) 3.153 5.666 ( 1.033 -1.224 0.088) 1.604 5.739 ( 0.583 -0.234 1.937) 2.036 5.765 ( 3.947 -0.544 -0.402) 4.005 5.802 ( -0.153 0.489 4.739) 4.767 5.834 ( 0.214 -0.436 3.146) 3.183 5.909 ( -0.079 2.672 2.030) 3.356 6.003 ( -3.198 0.201 4.854) 5.816 6.028 ( -0.911 -0.448 1.913) 2.166 6.078 ( -2.886 -1.180 -1.541) 3.478 6.357 ( -8.488 0.065 -4.151) 9.449 6.380 ( -6.505 -0.831 -2.722) 7.100 6.550 ( 0.002 1.333 2.942) 3.230 6.562 ( 0.267 0.716 4.221) 4.289 6.580 ( 1.546 -0.205 4.965) 5.204 6.594 ( 1.161 -0.215 1.936) 2.268 6.750 ( 1.102 0.235 1.846) 2.163 6.778 ( -0.384 -1.270 3.558) 3.797 6.796 ( 5.364 0.279 0.082) 5.372 6.838 ( 8.035 -0.434 -1.306) 8.152 6.843 ( -0.008 0.792 1.204) 1.441 6.872 ( 0.317 -0.076 0.588) 0.673 7.369 ( -6.444 0.953 1.319) 6.646 7.406 ( -6.988 -0.266 3.290) 7.728 7.639 ( 3.504 2.425 1.570) 4.541 7.742 ( -0.275 -0.385 -0.957) 1.068 7.760 ( 0.486 0.156 -0.008) 0.510 7.921 ( -4.345 -8.660 -2.537) 10.015 12.477 ( 1.936 0.210 -4.969) 5.338 12.485 ( 1.859 -0.113 -5.233) 5.555 12.671 ( -2.500 0.197 -4.640) 5.274 12.678 ( -2.896 -0.084 -4.314) 5.197 12.956 ( 2.702 0.190 2.783) 3.884 12.966 ( 2.574 -0.205 2.834) 3.834 13.195 ( -3.037 0.234 3.129) 4.367 13.208 ( -4.365 -0.309 3.104) 5.365 13.733 ( 3.316 0.104 2.420) 4.106 13.748 ( 2.215 -0.435 1.939) 2.976 13.958 ( -3.909 0.287 4.474) 5.948 13.977 ( -3.978 -0.514 4.666) 6.153 14.173 ( 5.871 0.401 0.644) 5.920 14.189 ( 5.828 -0.303 -0.429) 5.852 14.505 ( -2.700 0.729 -2.254) 3.592 14.537 ( -3.048 -0.639 -3.144) 4.425 16.971 ( 2.011 0.457 -0.330) 2.089 17.000 ( 2.536 -0.760 -0.586) 2.711 17.150 ( -0.944 0.475 -0.694) 1.264 17.178 ( -0.981 -0.499 -1.711) 2.035 17.247 ( 0.873 -0.060 -0.054) 0.877 17.309 ( -0.057 -2.294 0.451) 2.338 17.419 ( -0.887 1.816 -0.158) 2.027 17.458 ( -0.839 0.094 -0.848) 1.197 17.525 ( -0.776 0.597 -0.461) 1.082 17.537 ( -0.588 0.139 -0.424) 0.739 17.589 ( -0.972 -0.432 -2.657) 2.862 17.606 ( -0.019 -0.427 -3.349) 3.376 17.979 ( 1.158 0.209 0.564) 1.305 18.010 ( 0.439 -1.221 0.066) 1.300 18.112 ( -1.290 0.999 3.247) 3.634 18.152 ( -1.819 -0.669 3.682) 4.161 18.809 ( 1.332 1.985 1.089) 2.628 18.852 ( 1.660 1.452 0.942) 2.398 18.940 ( -1.015 -1.436 -1.138) 2.094 18.946 ( 1.313 -2.525 -0.882) 2.979 19.127 ( -2.837 1.822 -2.038) 3.939 19.168 ( -1.107 0.058 -2.074) 2.351 19.199 ( -2.043 -0.844 -1.560) 2.705 19.214 ( -1.550 -0.769 -1.978) 2.628 28.279 ( -1.233 0.432 -0.492) 1.396 28.292 ( -1.000 -0.068 -0.310) 1.050 28.334 ( -1.561 -0.323 -0.500) 1.671 28.338 ( -0.701 -0.392 -0.350) 0.876 28.383 ( 1.796 0.293 -0.540) 1.898 28.387 ( 1.952 0.220 -0.442) 2.013 28.449 ( 0.735 0.438 -1.290) 1.548 28.478 ( 0.055 -0.791 -0.907) 1.205 31.196 ( 1.998 2.541 -5.272) 6.184 31.314 ( 1.352 -1.937 -4.540) 5.118 31.393 ( 2.039 1.437 0.943) 2.666 31.414 ( -2.121 1.263 -0.415) 2.503 31.522 ( 4.922 -0.723 -1.671) 5.248 31.558 ( 4.673 -1.682 -0.994) 5.065 31.654 ( -2.557 -1.579 1.365) 3.301 31.681 ( -0.461 -2.425 -1.981) 3.165 31.888 ( 0.901 2.068 -0.551) 2.322 31.956 ( 3.059 -0.671 -0.339) 3.150 32.027 ( 5.889 1.396 0.448) 6.068 32.092 ( 4.529 -0.080 -0.403) 4.547 32.139 ( -1.659 1.123 8.989) 9.210 32.182 ( -1.307 0.796 11.128) 11.233 32.265 ( -0.022 4.227 -5.325) 6.799 32.464 ( -7.191 -3.808 -5.426) 9.780 32.643 ( 1.143 4.301 4.408) 6.264 32.687 ( 2.571 2.071 6.105) 6.940 32.886 ( 5.446 -2.465 5.047) 7.824 33.161 ( 4.029 -13.378 9.830) 17.083 33.798 ( -1.275 21.058 13.163) 24.867 34.143 ( -4.760 9.622 1.651) 10.861 34.582 ( -1.655 -8.019 -3.032) 8.731 34.843 ( -8.948 -22.606 10.286) 26.399 ======================= Grid point 57 (24/45) ======================= q-point: ( 0.40 0.25 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( 13.486 3.126 16.424) 21.480 1.423 ( 4.173 -3.153 8.109) 9.649 1.580 ( -8.669 0.580 7.235) 11.306 1.606 ( -15.909 -0.487 12.296) 20.113 1.715 ( 7.058 1.039 8.506) 11.102 1.787 ( 3.205 -1.722 4.266) 5.607 1.835 ( -1.800 0.087 3.263) 3.728 1.897 ( -0.200 -1.037 2.320) 2.549 1.975 ( 0.587 2.737 2.373) 3.670 2.020 ( -0.297 3.133 1.348) 3.424 2.121 ( 3.012 -1.249 3.226) 4.586 2.160 ( 4.024 -4.030 4.629) 7.339 2.178 ( 2.623 -0.923 3.132) 4.188 2.260 ( 6.896 -3.662 3.617) 8.605 2.353 ( 5.143 4.834 7.305) 10.158 2.412 ( -0.208 2.190 3.990) 4.556 2.478 ( -0.470 -0.122 1.750) 1.817 2.540 ( 2.233 -4.186 8.638) 9.856 2.566 ( -11.318 0.747 4.213) 12.100 2.606 ( -6.677 -0.802 2.343) 7.121 2.749 ( 5.431 6.051 12.120) 14.595 2.903 ( -3.651 1.688 14.342) 14.895 2.987 ( -0.043 -3.137 9.428) 9.936 3.030 ( -1.361 -1.871 8.454) 8.765 3.957 ( 12.172 0.608 -2.760) 12.496 3.979 ( 11.922 -0.257 -3.949) 12.561 4.184 ( -5.605 0.580 -6.331) 8.476 4.199 ( -3.075 -0.262 -3.500) 4.666 4.229 ( 0.794 1.659 -5.174) 5.491 4.359 ( 5.521 -1.675 -7.098) 9.147 4.379 ( -0.749 2.101 -9.306) 9.570 4.529 ( 0.664 -0.984 -6.808) 6.911 4.884 ( -2.349 1.179 2.587) 3.688 4.933 ( -0.011 2.012 0.857) 2.187 4.978 ( 0.592 -1.456 1.823) 2.407 4.984 ( 1.855 -0.777 1.155) 2.319 5.102 ( 4.433 0.590 -1.860) 4.844 5.142 ( -2.469 0.604 -1.108) 2.772 5.149 ( -2.754 -0.136 -3.298) 4.299 5.193 ( -1.013 -1.066 -1.064) 1.815 5.361 ( -1.617 0.328 6.979) 7.171 5.386 ( -0.712 1.515 5.555) 5.801 5.409 ( -1.366 -1.305 9.382) 9.571 5.432 ( -0.625 -0.061 6.715) 6.745 5.668 ( 2.724 0.257 0.523) 2.786 5.719 ( 1.440 -1.094 1.443) 2.313 5.724 ( 1.254 0.343 -0.945) 1.608 5.784 ( -1.776 -1.288 4.121) 4.669 5.840 ( 1.427 1.249 5.175) 5.512 5.876 ( 1.486 0.477 -2.638) 3.065 5.920 ( -1.472 0.588 2.424) 2.896 5.936 ( 3.335 0.172 2.104) 3.947 5.999 ( -2.380 0.155 -3.770) 4.461 6.061 ( 3.039 -1.436 -2.125) 3.976 6.157 ( -8.626 0.478 -4.791) 9.878 6.223 ( -7.863 -1.921 -5.605) 9.845 6.550 ( 0.129 1.247 3.543) 3.758 6.560 ( -0.213 1.224 3.987) 4.176 6.602 ( 0.495 -0.939 3.464) 3.623 6.613 ( 0.432 -0.746 3.600) 3.702 6.752 ( 0.284 -0.421 3.149) 3.190 6.774 ( 0.473 -1.222 3.357) 3.604 6.805 ( -1.467 0.868 2.478) 3.008 6.828 ( -1.478 0.034 2.704) 3.082 7.028 ( 10.784 0.520 -1.119) 10.854 7.047 ( 9.437 -0.285 -2.541) 9.778 7.225 ( -7.282 0.262 -1.031) 7.360 7.239 ( -8.710 -0.287 0.471) 8.728 7.681 ( 1.051 1.339 1.756) 2.445 7.731 ( -0.641 1.195 0.619) 1.491 7.776 ( 0.549 -1.744 -0.381) 1.868 7.833 ( -2.826 -2.942 -1.967) 4.529 12.532 ( 3.038 0.207 -4.978) 5.835 12.538 ( 2.971 -0.002 -5.256) 6.038 12.607 ( -3.507 0.075 -4.575) 5.765 12.608 ( -3.167 0.046 -4.915) 5.847 13.026 ( 3.684 0.191 1.752) 4.084 13.031 ( 3.372 0.066 2.164) 4.007 13.115 ( -4.040 -0.047 2.295) 4.647 13.117 ( -3.982 -0.119 1.976) 4.447 13.801 ( 2.730 -0.025 3.572) 4.496 13.809 ( 3.325 -0.044 3.343) 4.715 13.881 ( -3.356 -0.001 4.428) 5.556 13.896 ( -3.301 -0.304 4.261) 5.398 14.300 ( 5.763 0.182 -0.338) 5.776 14.319 ( 6.029 -0.547 -1.342) 6.201 14.424 ( -4.612 0.752 -1.169) 4.817 14.448 ( -5.069 -0.293 -2.143) 5.511 17.024 ( 2.734 0.379 -0.605) 2.826 17.061 ( 2.804 -0.926 -1.065) 3.139 17.105 ( -2.776 0.275 -0.513) 2.837 17.136 ( -2.546 -0.957 -1.208) 2.976 17.282 ( 1.698 0.747 0.267) 1.874 17.333 ( 2.391 0.761 0.917) 2.672 17.393 ( -1.826 0.103 0.772) 1.985 17.418 ( -2.209 -0.288 0.364) 2.258 17.511 ( -0.258 0.211 -1.800) 1.831 17.540 ( 0.703 0.675 -2.427) 2.615 17.565 ( -1.171 -0.782 -3.275) 3.564 17.609 ( 0.121 -0.075 -4.520) 4.523 18.000 ( 0.454 -0.619 0.817) 1.121 18.032 ( 1.671 -1.298 1.466) 2.574 18.080 ( -1.717 0.869 2.268) 2.974 18.114 ( -1.222 -0.035 2.945) 3.188 18.844 ( 1.757 1.318 0.715) 2.310 18.894 ( 0.047 0.248 0.929) 0.963 18.905 ( 0.489 -0.405 -0.450) 0.778 18.964 ( -0.870 -2.842 0.171) 2.978 19.090 ( 0.299 2.132 -1.133) 2.433 19.137 ( -1.837 0.934 -0.967) 2.276 19.160 ( -1.115 -1.519 -1.625) 2.488 19.186 ( -0.832 -0.530 -1.517) 1.810 28.266 ( -0.003 0.620 -0.433) 0.756 28.278 ( -0.593 0.573 -0.214) 0.852 28.305 ( -0.569 -0.670 -0.286) 0.924 28.315 ( -1.044 -0.685 -0.015) 1.248 28.424 ( 1.639 0.310 -0.752) 1.830 28.432 ( 1.796 0.128 -0.710) 1.936 28.453 ( -0.256 0.122 -0.942) 0.984 28.469 ( -0.948 -0.460 -0.895) 1.383 31.254 ( 3.313 2.533 -4.035) 5.803 31.333 ( -3.781 2.469 -2.962) 5.400 31.366 ( 2.883 -1.746 -1.857) 3.849 31.420 ( -1.094 -0.426 0.722) 1.378 31.623 ( 4.020 -1.657 -1.045) 4.472 31.644 ( 1.184 -1.218 1.341) 2.164 31.664 ( 2.733 -2.141 1.457) 3.765 31.707 ( 2.264 -2.195 1.185) 3.369 31.897 ( 0.058 3.915 -1.977) 4.387 31.952 ( -2.408 4.084 -4.881) 6.804 32.068 ( -0.480 -2.282 -1.026) 2.548 32.100 ( -2.157 -1.435 2.850) 3.851 32.150 ( 0.345 0.538 3.528) 3.585 32.177 ( 2.938 1.230 3.685) 4.871 32.246 ( -2.131 -0.042 3.500) 4.098 32.326 ( -4.723 -1.635 1.972) 5.373 32.717 ( 4.168 4.375 1.408) 6.204 32.783 ( 3.126 6.553 2.143) 7.570 33.001 ( 5.212 -8.921 1.220) 10.404 33.234 ( 1.735 -12.486 2.100) 12.780 33.769 ( -0.997 18.446 11.264) 21.636 34.028 ( -4.458 16.585 9.550) 19.651 34.546 ( -1.329 -14.610 0.722) 14.688 34.679 ( -4.623 -13.346 5.332) 15.097 ======================= Grid point 60 (25/45) ======================= q-point: ( 0.00 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.180 ( 0.000 -11.568 12.861) 17.299 1.180 ( 0.000 11.568 12.861) 17.299 1.391 ( 0.000 -6.429 23.911) 24.760 1.391 ( 0.000 6.429 23.911) 24.760 1.799 ( 0.000 -2.253 5.559) 5.999 1.799 ( 0.000 2.253 5.559) 5.999 1.953 ( 0.000 -2.482 2.341) 3.412 1.953 ( 0.000 2.482 2.341) 3.412 1.984 ( 0.000 -3.561 9.072) 9.746 1.984 ( 0.000 3.561 9.072) 9.746 2.049 ( 0.000 -4.287 3.812) 5.737 2.049 ( 0.000 4.287 3.812) 5.737 2.224 ( 0.000 -2.207 18.284) 18.416 2.224 ( 0.000 2.207 18.284) 18.416 2.312 ( 0.000 -1.906 1.792) 2.616 2.312 ( 0.000 1.906 1.792) 2.616 2.398 ( 0.000 -2.846 -0.544) 2.898 2.398 ( 0.000 2.846 -0.544) 2.898 2.810 ( 0.000 -2.292 1.155) 2.566 2.810 ( 0.000 2.292 1.155) 2.566 2.855 ( 0.000 -0.406 -0.678) 0.790 2.855 ( 0.000 0.406 -0.678) 0.790 3.131 ( 0.000 -0.596 10.607) 10.624 3.131 ( 0.000 0.596 10.607) 10.624 3.559 ( 0.000 -0.488 -1.277) 1.367 3.559 ( 0.000 0.488 -1.277) 1.367 3.944 ( 0.000 -3.861 5.663) 6.854 3.944 ( 0.000 3.861 5.663) 6.854 4.246 ( 0.000 -1.372 -7.142) 7.272 4.246 ( 0.000 1.372 -7.142) 7.272 4.503 ( 0.000 -1.774 -3.589) 4.004 4.503 ( 0.000 1.774 -3.589) 4.004 4.815 ( 0.000 -0.133 -1.568) 1.573 4.815 ( 0.000 0.133 -1.568) 1.573 5.025 ( 0.000 -0.766 3.017) 3.113 5.025 ( 0.000 0.766 3.017) 3.113 5.195 ( 0.000 -4.605 -4.521) 6.453 5.195 ( 0.000 4.605 -4.521) 6.453 5.298 ( 0.000 -0.341 -10.636) 10.641 5.298 ( 0.000 0.341 -10.636) 10.641 5.352 ( 0.000 -0.529 -1.184) 1.296 5.352 ( 0.000 0.529 -1.184) 1.296 5.413 ( 0.000 -0.829 3.787) 3.877 5.413 ( 0.000 0.829 3.787) 3.877 5.668 ( 0.000 -1.338 4.796) 4.979 5.668 ( 0.000 1.338 4.796) 4.979 5.685 ( 0.000 -0.894 1.624) 1.854 5.685 ( 0.000 0.894 1.624) 1.854 5.829 ( 0.000 -0.886 5.481) 5.552 5.829 ( 0.000 0.886 5.481) 5.552 5.968 ( 0.000 -3.211 2.319) 3.961 5.968 ( 0.000 3.211 2.319) 3.961 6.091 ( 0.000 -1.752 0.222) 1.766 6.091 ( 0.000 1.752 0.222) 1.766 6.461 ( 0.000 -0.015 -1.566) 1.566 6.461 ( 0.000 0.015 -1.566) 1.566 6.549 ( 0.000 -0.226 1.439) 1.456 6.549 ( 0.000 0.226 1.439) 1.456 6.573 ( 0.000 -0.524 4.927) 4.955 6.573 ( 0.000 0.524 4.927) 4.955 6.711 ( 0.000 -1.192 1.394) 1.834 6.711 ( 0.000 1.192 1.394) 1.834 6.770 ( 0.000 -0.728 3.180) 3.263 6.770 ( 0.000 0.728 3.180) 3.263 6.871 ( 0.000 -0.710 -0.429) 0.829 6.871 ( 0.000 0.710 -0.429) 0.829 7.492 ( 0.000 -1.848 3.825) 4.248 7.492 ( 0.000 1.848 3.825) 4.248 7.679 ( 0.000 -8.188 -0.298) 8.194 7.679 ( 0.000 8.188 -0.298) 8.194 7.780 ( 0.000 -3.627 1.135) 3.800 7.780 ( 0.000 3.627 1.135) 3.800 12.460 ( 0.000 -0.261 -5.003) 5.009 12.460 ( 0.000 0.261 -5.003) 5.009 12.707 ( 0.000 -0.383 -4.581) 4.597 12.707 ( 0.000 0.383 -4.581) 4.597 12.929 ( 0.000 -0.307 3.654) 3.667 12.929 ( 0.000 0.307 3.654) 3.667 13.245 ( 0.000 -1.005 4.010) 4.134 13.245 ( 0.000 1.005 4.010) 4.134 13.705 ( 0.000 -1.014 1.484) 1.798 13.705 ( 0.000 1.014 1.484) 1.798 14.038 ( 0.000 -0.043 7.020) 7.021 14.038 ( 0.000 0.043 7.020) 7.021 14.089 ( 0.000 -0.567 -2.043) 2.120 14.089 ( 0.000 0.567 -2.043) 2.120 14.552 ( 0.000 -1.084 -3.108) 3.291 14.552 ( 0.000 1.084 -3.108) 3.291 16.958 ( 0.000 -0.651 -0.054) 0.653 16.958 ( 0.000 0.651 -0.054) 0.653 17.176 ( 0.000 -0.824 -1.517) 1.727 17.176 ( 0.000 0.824 -1.517) 1.727 17.248 ( 0.000 -1.621 -0.001) 1.621 17.248 ( 0.000 1.621 -0.001) 1.621 17.467 ( 0.000 -0.777 -0.872) 1.168 17.467 ( 0.000 0.777 -0.872) 1.168 17.544 ( 0.000 -0.496 0.671) 0.834 17.544 ( 0.000 0.496 0.671) 0.834 17.596 ( 0.000 -0.234 -2.011) 2.025 17.596 ( 0.000 0.234 -2.011) 2.025 17.981 ( 0.000 -1.125 -0.131) 1.133 17.981 ( 0.000 1.125 -0.131) 1.133 18.153 ( 0.000 -1.341 3.666) 3.903 18.153 ( 0.000 1.341 3.666) 3.903 18.839 ( 0.000 -2.239 0.804) 2.379 18.839 ( 0.000 2.239 0.804) 2.379 18.916 ( 0.000 -2.127 -1.231) 2.457 18.916 ( 0.000 2.127 -1.231) 2.457 19.181 ( 0.000 -0.315 -3.503) 3.517 19.181 ( 0.000 0.315 -3.503) 3.517 19.219 ( 0.000 -0.116 -1.822) 1.825 19.219 ( 0.000 0.116 -1.822) 1.825 28.312 ( 0.000 -0.235 -0.440) 0.499 28.312 ( 0.000 0.235 -0.440) 0.499 28.328 ( 0.000 -0.288 -0.630) 0.692 28.328 ( 0.000 0.288 -0.630) 0.692 28.376 ( 0.000 -0.168 -0.377) 0.413 28.376 ( 0.000 0.168 -0.377) 0.413 28.452 ( 0.000 -1.201 -1.095) 1.625 28.452 ( 0.000 1.201 -1.095) 1.625 31.241 ( 0.000 -4.002 -5.302) 6.643 31.241 ( 0.000 4.002 -5.302) 6.643 31.392 ( 0.000 -1.910 -0.156) 1.917 31.392 ( 0.000 1.910 -0.156) 1.917 31.491 ( 0.000 -0.133 -1.959) 1.964 31.491 ( 0.000 0.133 -1.959) 1.964 31.700 ( 0.000 -0.812 -1.005) 1.292 31.700 ( 0.000 0.812 -1.005) 1.292 31.869 ( 0.000 -0.917 3.405) 3.526 31.869 ( 0.000 0.917 3.405) 3.526 31.966 ( 0.000 -2.309 -1.179) 2.593 31.966 ( 0.000 2.309 -1.179) 2.593 32.202 ( 0.000 -1.401 12.484) 12.562 32.202 ( 0.000 1.401 12.484) 12.562 32.426 ( 0.000 -8.106 -8.139) 11.487 32.426 ( 0.000 8.106 -8.139) 11.487 32.697 ( 0.000 -1.740 6.358) 6.592 32.697 ( 0.000 1.740 6.358) 6.592 32.878 ( 0.000 -9.986 7.919) 12.745 32.878 ( 0.000 9.986 7.919) 12.745 34.239 ( 0.000 -15.106 8.981) 17.574 34.239 ( 0.000 15.106 8.981) 17.574 34.511 ( 0.000 -5.049 7.272) 8.853 34.511 ( 0.000 5.049 7.272) 8.853 ======================= Grid point 62 (26/45) ======================= q-point: ( 0.20 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 3.510 -9.670 13.323) 16.832 1.212 ( 3.510 9.670 13.323) 16.832 1.539 ( 11.082 -4.956 15.948) 20.043 1.539 ( 11.082 4.956 15.948) 20.043 1.789 ( -2.802 -3.114 5.551) 6.955 1.789 ( -2.802 3.114 5.551) 6.955 1.909 ( -3.643 -1.319 2.805) 4.783 1.909 ( -3.643 1.319 2.805) 4.783 2.000 ( 2.158 -3.034 6.163) 7.200 2.000 ( 2.158 3.034 6.163) 7.200 2.076 ( 1.906 -3.218 3.257) 4.960 2.076 ( 1.906 3.218 3.257) 4.960 2.198 ( -5.829 -3.774 3.532) 7.790 2.198 ( -5.829 3.774 3.532) 7.790 2.295 ( 5.529 -3.378 16.041) 17.300 2.295 ( 5.529 3.378 16.041) 17.300 2.450 ( 2.690 -1.362 0.531) 3.062 2.450 ( 2.690 1.362 0.531) 3.062 2.770 ( -5.645 -1.005 0.899) 5.803 2.770 ( -5.645 1.005 0.899) 5.803 2.812 ( -0.715 -3.866 4.143) 5.712 2.812 ( -0.715 3.866 4.143) 5.712 3.075 ( -4.217 -0.245 12.210) 12.920 3.075 ( -4.217 0.245 12.210) 12.920 3.708 ( 11.649 -0.559 -3.073) 12.060 3.708 ( 11.649 0.559 -3.073) 12.060 4.066 ( 9.646 -3.557 -1.254) 10.357 4.066 ( 9.646 3.557 -1.254) 10.357 4.284 ( 1.494 -1.052 -4.269) 4.644 4.284 ( 1.494 1.052 -4.269) 4.644 4.483 ( -1.347 -2.687 -5.780) 6.515 4.483 ( -1.347 2.687 -5.780) 6.515 4.874 ( 4.758 -0.488 -2.121) 5.232 4.874 ( 4.758 0.488 -2.121) 5.232 4.985 ( -2.990 -1.326 3.731) 4.962 4.985 ( -2.990 1.326 3.731) 4.962 5.173 ( -2.433 -4.797 -5.124) 7.429 5.173 ( -2.433 4.797 -5.124) 7.429 5.218 ( -4.202 -0.164 -5.329) 6.789 5.218 ( -4.202 0.164 -5.329) 6.789 5.376 ( 1.392 -1.058 5.197) 5.483 5.376 ( 1.392 1.058 5.197) 5.483 5.432 ( 0.217 -1.287 2.077) 2.453 5.432 ( 0.217 1.287 2.077) 2.453 5.641 ( 0.458 -1.168 2.030) 2.386 5.641 ( 0.458 1.168 2.030) 2.386 5.747 ( 2.036 -0.922 1.531) 2.708 5.747 ( 2.036 0.922 1.531) 2.708 5.819 ( 0.387 -1.044 3.574) 3.743 5.819 ( 0.387 1.044 3.574) 3.743 5.966 ( -0.528 -3.027 3.434) 4.609 5.966 ( -0.528 3.027 3.434) 4.609 6.050 ( -3.293 -1.752 -0.308) 3.743 6.050 ( -3.293 1.752 -0.308) 3.743 6.364 ( -7.396 -0.664 -3.213) 8.091 6.364 ( -7.396 0.664 -3.213) 8.091 6.573 ( 0.714 -0.597 3.036) 3.176 6.573 ( 0.714 0.597 3.036) 3.176 6.580 ( 0.531 -1.210 3.988) 4.202 6.580 ( 0.531 1.210 3.988) 4.202 6.757 ( -0.329 -0.753 2.906) 3.020 6.757 ( -0.329 0.753 2.906) 3.020 6.815 ( 7.171 -1.404 -1.229) 7.410 6.815 ( 7.171 1.404 -1.229) 7.410 6.864 ( 0.378 -0.831 1.294) 1.584 6.864 ( 0.378 0.831 1.294) 1.584 7.392 ( -7.100 -1.179 2.517) 7.624 7.392 ( -7.100 1.179 2.517) 7.624 7.712 ( 1.135 -3.950 -0.287) 4.119 7.712 ( 1.135 3.950 -0.287) 4.119 7.780 ( 0.125 -3.539 1.176) 3.731 7.780 ( 0.125 3.539 1.176) 3.731 12.482 ( 1.917 -0.232 -5.111) 5.464 12.482 ( 1.917 0.232 -5.111) 5.464 12.675 ( -2.674 -0.232 -4.483) 5.225 12.675 ( -2.674 0.232 -4.483) 5.225 12.961 ( 2.662 -0.296 2.829) 3.895 12.961 ( 2.662 0.296 2.829) 3.895 13.201 ( -3.598 -0.375 3.195) 4.826 13.201 ( -3.598 0.375 3.195) 4.826 13.739 ( 2.744 -0.450 2.268) 3.588 13.739 ( 2.744 0.450 2.268) 3.588 13.966 ( -3.928 -0.546 4.653) 6.114 13.966 ( -3.928 0.546 4.653) 6.114 14.182 ( 5.770 -0.473 -0.014) 5.789 14.182 ( 5.770 0.473 -0.014) 5.789 14.522 ( -2.826 -0.962 -2.697) 4.023 14.522 ( -2.826 0.962 -2.697) 4.023 16.984 ( 2.187 -0.863 -0.443) 2.393 16.984 ( 2.187 0.863 -0.443) 2.393 17.163 ( -1.347 -0.874 -1.077) 1.933 17.163 ( -1.347 0.874 -1.077) 1.933 17.265 ( 1.593 -1.859 -0.167) 2.454 17.265 ( 1.593 1.859 -0.167) 2.454 17.450 ( -1.459 -1.081 -0.194) 1.826 17.450 ( -1.459 1.081 -0.194) 1.826 17.537 ( -0.638 -0.376 -0.247) 0.781 17.537 ( -0.638 0.376 -0.247) 0.781 17.591 ( -0.329 -0.827 -2.576) 2.725 17.591 ( -0.329 0.827 -2.576) 2.725 17.989 ( 0.631 -0.871 0.293) 1.115 17.989 ( 0.631 0.871 0.293) 1.115 18.134 ( -1.524 -1.171 3.324) 3.840 18.134 ( -1.524 1.171 3.324) 3.840 18.854 ( 1.158 -2.094 0.866) 2.545 18.854 ( 1.158 2.094 0.866) 2.545 18.917 ( 0.084 -0.852 -0.993) 1.312 18.917 ( 0.084 0.852 -0.993) 1.312 19.158 ( -1.881 -1.273 -2.642) 3.484 19.158 ( -1.881 1.273 -2.642) 3.484 19.197 ( -1.594 -0.803 -1.341) 2.233 19.197 ( -1.594 0.803 -1.341) 2.233 28.288 ( -0.968 -0.434 -0.397) 1.133 28.288 ( -0.968 0.434 -0.397) 1.133 28.332 ( -1.207 -0.137 -0.434) 1.290 28.332 ( -1.207 0.137 -0.434) 1.290 28.388 ( 1.801 -0.144 -0.455) 1.864 28.388 ( 1.801 0.144 -0.455) 1.864 28.461 ( 0.432 -0.847 -1.068) 1.430 28.461 ( 0.432 0.847 -1.068) 1.430 31.258 ( 1.812 -3.597 -5.024) 6.439 31.258 ( 1.812 3.597 -5.024) 6.439 31.421 ( 0.645 -0.967 0.029) 1.162 31.421 ( 0.645 0.967 0.029) 1.162 31.525 ( 3.776 -1.387 -1.552) 4.312 31.525 ( 3.776 1.387 -1.552) 4.312 31.644 ( -1.794 -0.954 0.372) 2.066 31.644 ( -1.794 0.954 0.372) 2.066 31.928 ( 2.748 -2.027 -0.315) 3.430 31.928 ( 2.748 2.027 -0.315) 3.430 32.065 ( 6.460 -2.189 0.035) 6.821 32.065 ( 6.460 2.189 0.035) 6.821 32.173 ( -2.841 -1.664 10.451) 10.957 32.173 ( -2.841 1.664 10.451) 10.957 32.369 ( -4.444 -5.886 -6.252) 9.668 32.369 ( -4.444 5.886 -6.252) 9.668 32.705 ( 2.701 -1.870 5.454) 6.367 32.705 ( 2.701 1.870 5.454) 6.367 32.936 ( 3.882 -9.018 5.921) 11.466 32.936 ( 3.882 9.018 5.921) 11.466 34.214 ( -2.150 -16.578 8.391) 18.704 34.214 ( -2.150 16.578 8.391) 18.704 34.461 ( -4.164 -8.286 6.960) 11.594 34.461 ( -4.164 8.286 6.960) 11.594 ======================= Grid point 64 (27/45) ======================= q-point: ( 0.40 -0.50 0.22) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.345 ( 9.042 -4.573 12.278) 15.919 1.345 ( 9.042 4.573 12.278) 15.919 1.594 ( -11.601 -0.765 9.760) 15.180 1.594 ( -11.601 0.765 9.760) 15.180 1.746 ( 4.763 -2.089 6.803) 8.563 1.746 ( 4.763 2.089 6.803) 8.563 1.862 ( -1.127 -2.084 3.059) 3.870 1.862 ( -1.127 2.084 3.059) 3.870 2.046 ( 1.293 -4.326 2.355) 5.092 2.046 ( 1.293 4.326 2.355) 5.092 2.092 ( -1.657 -3.948 1.328) 4.483 2.092 ( -1.657 3.948 1.328) 4.483 2.199 ( 7.441 -2.648 3.896) 8.807 2.199 ( 7.441 2.648 3.896) 8.807 2.434 ( 4.992 -2.114 8.146) 9.785 2.434 ( 4.992 2.114 8.146) 9.785 2.470 ( -0.770 -1.022 3.858) 4.065 2.470 ( -0.770 1.022 3.858) 4.065 2.587 ( -9.280 -1.216 3.270) 9.914 2.587 ( -9.280 1.216 3.270) 9.914 2.865 ( 4.952 -5.641 10.322) 12.763 2.865 ( 4.952 5.641 10.322) 12.763 2.983 ( -4.604 -2.641 11.487) 12.654 2.983 ( -4.604 2.641 11.487) 12.654 3.970 ( 12.187 -0.640 -3.408) 12.671 3.970 ( 12.187 0.640 -3.408) 12.671 4.193 ( -6.764 -0.410 -3.741) 7.740 4.193 ( -6.764 0.410 -3.741) 7.740 4.284 ( 5.809 -3.899 -7.152) 10.005 4.284 ( 5.809 3.899 -7.152) 10.005 4.470 ( -0.737 -4.775 -8.417) 9.705 4.470 ( -0.737 4.775 -8.417) 9.705 4.930 ( -0.854 -3.042 2.123) 3.806 4.930 ( -0.854 3.042 2.123) 3.806 4.965 ( 1.522 -1.312 0.818) 2.169 4.965 ( 1.522 1.312 0.818) 2.169 5.127 ( 0.273 -1.580 -2.063) 2.613 5.127 ( 0.273 1.580 -2.063) 2.613 5.168 ( -1.541 -1.432 -1.348) 2.498 5.168 ( -1.541 1.432 -1.348) 2.498 5.377 ( -1.441 -1.401 7.491) 7.756 5.377 ( -1.441 1.401 7.491) 7.756 5.420 ( -0.534 -1.325 6.930) 7.075 5.420 ( -0.534 1.325 6.930) 7.075 5.685 ( 2.931 -1.536 0.472) 3.343 5.685 ( 2.931 1.536 0.472) 3.343 5.752 ( -1.000 -1.828 1.669) 2.669 5.752 ( -1.000 1.828 1.669) 2.669 5.867 ( 2.849 -1.272 2.784) 4.182 5.867 ( 2.849 1.272 2.784) 4.182 5.934 ( -2.971 -0.768 0.986) 3.223 5.934 ( -2.971 0.768 0.986) 3.223 6.021 ( 3.409 -2.187 -3.180) 5.150 6.021 ( 3.409 2.187 -3.180) 5.150 6.183 ( -9.086 -2.025 -4.795) 10.472 6.183 ( -9.086 2.025 -4.795) 10.472 6.578 ( 0.094 -1.361 2.930) 3.232 6.578 ( 0.094 1.361 2.930) 3.232 6.589 ( 0.150 -1.502 4.524) 4.769 6.589 ( 0.150 1.502 4.524) 4.769 6.754 ( 0.280 -0.657 3.304) 3.381 6.754 ( 0.280 0.657 3.304) 3.381 6.821 ( -1.362 -0.719 2.525) 2.958 6.821 ( -1.362 0.719 2.525) 2.958 7.039 ( 10.048 -0.544 -2.051) 10.270 7.039 ( 10.048 0.544 -2.051) 10.270 7.232 ( -8.016 -0.396 -0.170) 8.027 7.232 ( -8.016 0.396 -0.170) 8.027 7.720 ( 0.067 -2.481 0.860) 2.627 7.720 ( 0.067 2.481 0.860) 2.627 7.778 ( -0.332 -2.389 -0.192) 2.420 7.778 ( -0.332 2.389 -0.192) 2.420 12.536 ( 3.053 -0.189 -5.131) 5.974 12.536 ( 3.053 0.189 -5.131) 5.974 12.608 ( -3.368 -0.023 -4.780) 5.847 12.608 ( -3.368 0.023 -4.780) 5.847 13.030 ( 3.727 -0.136 1.954) 4.210 13.030 ( 3.727 0.136 1.954) 4.210 13.115 ( -4.204 -0.055 2.122) 4.709 13.115 ( -4.204 0.055 2.122) 4.709 13.804 ( 3.129 -0.346 3.558) 4.751 13.804 ( 3.129 0.346 3.558) 4.751 13.887 ( -3.377 -0.515 4.372) 5.548 13.887 ( -3.377 0.515 4.372) 5.548 14.307 ( 5.639 -0.568 -1.002) 5.755 14.307 ( 5.639 0.568 -1.002) 5.755 14.439 ( -4.598 -0.685 -1.560) 4.904 14.439 ( -4.598 0.685 -1.560) 4.904 17.039 ( 2.650 -1.157 -0.818) 3.005 17.039 ( 2.650 1.157 -0.818) 3.005 17.118 ( -2.582 -0.881 -0.797) 2.843 17.118 ( -2.582 0.881 -0.797) 2.843 17.312 ( 2.405 -2.008 -0.124) 3.135 17.312 ( 2.405 2.008 -0.124) 3.135 17.408 ( -2.171 -0.851 0.919) 2.506 17.408 ( -2.171 0.851 0.919) 2.506 17.526 ( -0.218 -1.195 -2.244) 2.552 17.526 ( -0.218 1.195 -2.244) 2.552 17.587 ( -0.070 -1.953 -2.979) 3.563 17.587 ( -0.070 1.953 -2.979) 3.563 18.003 ( 0.546 -1.036 1.139) 1.633 18.003 ( 0.546 1.036 1.139) 1.633 18.103 ( -1.032 -1.085 2.567) 2.972 18.103 ( -1.032 1.085 2.567) 2.972 18.876 ( 0.624 -1.743 1.030) 2.118 18.876 ( 0.624 1.743 1.030) 2.118 18.920 ( 0.145 -1.665 -0.489) 1.742 18.920 ( 0.145 1.665 -0.489) 1.742 19.125 ( -0.808 -1.735 -1.499) 2.431 19.125 ( -0.808 1.735 -1.499) 2.431 19.166 ( -1.070 -1.431 -1.154) 2.126 19.166 ( -1.070 1.431 -1.154) 2.126 28.280 ( 0.251 -0.676 -0.322) 0.790 28.280 ( 0.251 0.676 -0.322) 0.790 28.300 ( -1.331 -0.584 -0.156) 1.462 28.300 ( -1.331 0.584 -0.156) 1.462 28.430 ( 1.820 -0.291 -0.754) 1.991 28.430 ( 1.820 0.291 -0.754) 1.991 28.459 ( -0.704 -0.514 -0.856) 1.222 28.459 ( -0.704 0.514 -0.856) 1.222 31.314 ( 3.179 -3.401 -3.389) 5.758 31.314 ( 3.179 3.401 -3.389) 5.758 31.388 ( -2.957 -2.823 -2.364) 4.723 31.388 ( -2.957 2.823 -2.364) 4.723 31.617 ( 2.886 -1.397 1.945) 3.750 31.617 ( 2.886 1.397 1.945) 3.750 31.663 ( 2.561 -1.910 1.323) 3.458 31.663 ( 2.561 1.910 1.323) 3.458 31.970 ( 1.571 -2.962 -3.020) 4.513 31.970 ( 1.571 2.962 -3.020) 4.513 32.063 ( -5.204 -2.160 0.224) 5.639 32.063 ( -5.204 2.160 0.224) 5.639 32.169 ( 2.559 -1.381 3.743) 4.740 32.169 ( 2.559 1.381 3.743) 4.740 32.280 ( -3.355 -2.876 2.844) 5.255 32.280 ( -3.355 2.876 2.844) 5.255 32.821 ( 5.538 -6.224 0.262) 8.335 32.821 ( 5.538 6.224 0.262) 8.335 32.994 ( 1.077 -11.322 3.749) 11.975 32.994 ( 1.077 11.322 3.749) 11.975 34.166 ( -1.689 -21.007 6.121) 21.946 34.166 ( -1.689 21.007 6.121) 21.946 34.377 ( -2.631 -16.737 7.756) 18.633 34.377 ( -2.631 16.737 7.756) 18.633 ======================= Grid point 75 (28/45) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.347 ( 0.000 0.000 20.615) 20.615 1.586 ( 0.000 0.000 7.684) 7.684 1.694 ( 0.000 0.000 13.795) 13.795 1.872 ( 0.000 0.000 5.589) 5.589 1.921 ( 0.000 0.000 1.712) 1.712 1.938 ( 0.000 0.000 4.135) 4.135 1.947 ( 0.000 0.000 3.232) 3.232 2.016 ( 0.000 0.000 1.238) 1.238 2.035 ( 0.000 0.000 -2.231) 2.231 2.112 ( 0.000 0.000 21.782) 21.782 2.179 ( 0.000 0.000 4.643) 4.643 2.268 ( 0.000 0.000 5.938) 5.938 2.299 ( 0.000 0.000 4.751) 4.751 2.340 ( 0.000 0.000 1.336) 1.336 2.358 ( 0.000 0.000 7.805) 7.805 2.373 ( 0.000 0.000 -2.656) 2.656 2.499 ( 0.000 0.000 8.533) 8.533 2.724 ( 0.000 0.000 -1.935) 1.935 2.726 ( 0.000 0.000 -4.267) 4.267 2.783 ( 0.000 0.000 18.416) 18.416 2.869 ( 0.000 0.000 -1.335) 1.335 3.008 ( 0.000 0.000 2.194) 2.194 3.156 ( 0.000 0.000 -2.829) 2.829 3.261 ( 0.000 0.000 0.889) 0.889 3.499 ( 0.000 0.000 -0.811) 0.811 3.545 ( 0.000 0.000 -0.142) 0.142 4.004 ( 0.000 0.000 -7.747) 7.747 4.046 ( 0.000 0.000 8.556) 8.556 4.126 ( 0.000 0.000 -5.837) 5.837 4.193 ( 0.000 0.000 5.849) 5.849 4.382 ( 0.000 0.000 -2.957) 2.957 4.465 ( 0.000 0.000 -3.605) 3.605 4.552 ( 0.000 0.000 -16.142) 16.142 4.555 ( 0.000 0.000 -18.634) 18.634 4.754 ( 0.000 0.000 -19.925) 19.925 4.900 ( 0.000 0.000 -21.112) 21.112 5.115 ( 0.000 0.000 2.245) 2.245 5.171 ( 0.000 0.000 2.653) 2.653 5.211 ( 0.000 0.000 0.410) 0.410 5.232 ( 0.000 0.000 0.582) 0.582 5.375 ( 0.000 0.000 4.483) 4.483 5.403 ( 0.000 0.000 5.889) 5.889 5.609 ( 0.000 0.000 9.271) 9.271 5.625 ( 0.000 0.000 9.534) 9.534 5.765 ( 0.000 0.000 5.492) 5.492 5.773 ( 0.000 0.000 7.588) 7.588 5.781 ( 0.000 0.000 6.550) 6.550 5.843 ( 0.000 0.000 6.141) 6.141 5.917 ( 0.000 0.000 4.373) 4.373 5.931 ( 0.000 0.000 5.437) 5.437 5.979 ( 0.000 0.000 5.802) 5.802 6.094 ( 0.000 0.000 0.673) 0.673 6.160 ( 0.000 0.000 4.985) 4.985 6.181 ( 0.000 0.000 6.658) 6.658 6.366 ( 0.000 0.000 -2.365) 2.365 6.429 ( 0.000 0.000 -1.756) 1.756 6.552 ( 0.000 0.000 1.906) 1.906 6.583 ( 0.000 0.000 2.259) 2.259 6.710 ( 0.000 0.000 -2.495) 2.495 6.716 ( 0.000 0.000 1.052) 1.052 6.720 ( 0.000 0.000 7.976) 7.976 6.722 ( 0.000 0.000 6.407) 6.407 6.803 ( 0.000 0.000 -0.214) 0.214 6.826 ( 0.000 0.000 -2.603) 2.603 6.855 ( 0.000 0.000 2.504) 2.504 6.858 ( 0.000 0.000 0.640) 0.640 7.429 ( 0.000 0.000 -5.035) 5.035 7.580 ( 0.000 0.000 3.834) 3.834 7.599 ( 0.000 0.000 2.741) 2.741 7.657 ( 0.000 0.000 -8.688) 8.688 7.751 ( 0.000 0.000 0.315) 0.315 7.890 ( 0.000 0.000 -8.677) 8.677 12.372 ( 0.000 0.000 -2.914) 2.914 12.377 ( 0.000 0.000 -3.196) 3.196 12.610 ( 0.000 0.000 -3.226) 3.226 12.631 ( 0.000 0.000 -3.534) 3.534 12.986 ( 0.000 0.000 2.224) 2.224 12.992 ( 0.000 0.000 1.893) 1.893 13.297 ( 0.000 0.000 2.811) 2.811 13.327 ( 0.000 0.000 1.652) 1.652 13.730 ( 0.000 0.000 2.856) 2.856 13.767 ( 0.000 0.000 2.386) 2.386 13.988 ( 0.000 0.000 -4.038) 4.038 14.016 ( 0.000 0.000 -4.373) 4.373 14.204 ( 0.000 0.000 6.916) 6.916 14.215 ( 0.000 0.000 6.908) 6.908 14.477 ( 0.000 0.000 -2.171) 2.171 14.507 ( 0.000 0.000 -2.982) 2.982 16.940 ( 0.000 0.000 -0.118) 0.118 16.967 ( 0.000 0.000 -0.712) 0.712 17.156 ( 0.000 0.000 1.047) 1.047 17.161 ( 0.000 0.000 -0.048) 0.048 17.278 ( 0.000 0.000 2.349) 2.349 17.358 ( 0.000 0.000 -2.043) 2.043 17.365 ( 0.000 0.000 -2.584) 2.584 17.407 ( 0.000 0.000 -0.485) 0.485 17.516 ( 0.000 0.000 -1.274) 1.274 17.517 ( 0.000 0.000 -2.665) 2.665 17.580 ( 0.000 0.000 0.968) 0.968 17.600 ( 0.000 0.000 -0.068) 0.068 17.963 ( 0.000 0.000 0.114) 0.114 18.005 ( 0.000 0.000 -1.020) 1.020 18.182 ( 0.000 0.000 2.372) 2.372 18.231 ( 0.000 0.000 0.784) 0.784 18.802 ( 0.000 0.000 1.330) 1.330 18.841 ( 0.000 0.000 1.162) 1.162 18.952 ( 0.000 0.000 0.960) 0.960 18.969 ( 0.000 0.000 1.544) 1.544 19.092 ( 0.000 0.000 -2.197) 2.197 19.117 ( 0.000 0.000 -3.019) 3.019 19.169 ( 0.000 0.000 -2.931) 2.931 19.197 ( 0.000 0.000 -2.905) 2.905 28.307 ( 0.000 0.000 -0.435) 0.435 28.310 ( 0.000 0.000 0.514) 0.514 28.310 ( 0.000 0.000 -0.141) 0.141 28.339 ( 0.000 0.000 0.232) 0.232 28.359 ( 0.000 0.000 -1.077) 1.077 28.361 ( 0.000 0.000 -0.518) 0.518 28.402 ( 0.000 0.000 -0.568) 0.568 28.462 ( 0.000 0.000 -1.435) 1.435 31.063 ( 0.000 0.000 -2.506) 2.506 31.206 ( 0.000 0.000 -6.161) 6.161 31.362 ( 0.000 0.000 1.840) 1.840 31.426 ( 0.000 0.000 0.404) 0.404 31.445 ( 0.000 0.000 -1.686) 1.686 31.535 ( 0.000 0.000 3.293) 3.293 31.586 ( 0.000 0.000 -5.876) 5.876 31.803 ( 0.000 0.000 3.589) 3.589 31.841 ( 0.000 0.000 -1.320) 1.320 31.931 ( 0.000 0.000 -6.336) 6.336 32.003 ( 0.000 0.000 5.481) 5.481 32.039 ( 0.000 0.000 -5.260) 5.260 32.047 ( 0.000 0.000 7.871) 7.871 32.359 ( 0.000 0.000 9.218) 9.218 32.376 ( 0.000 0.000 2.331) 2.331 32.457 ( 0.000 0.000 -4.782) 4.782 32.611 ( 0.000 0.000 -2.870) 2.870 32.785 ( 0.000 0.000 -2.880) 2.880 32.892 ( 0.000 0.000 8.293) 8.293 33.402 ( 0.000 0.000 -6.846) 6.846 33.924 ( 0.000 0.000 20.918) 20.918 34.170 ( 0.000 0.000 3.972) 3.972 34.676 ( 0.000 0.000 7.286) 7.286 35.236 ( 0.000 0.000 -2.738) 2.738 ======================= Grid point 76 (29/45) ======================= q-point: ( 0.20 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.420 ( 6.646 0.000 19.679) 20.771 1.592 ( 0.101 0.000 7.334) 7.335 1.736 ( 4.130 0.000 10.073) 10.887 1.863 ( -5.471 0.000 2.801) 6.147 1.874 ( -1.110 0.000 6.403) 6.498 1.913 ( -0.655 0.000 1.662) 1.786 1.933 ( -0.989 0.000 3.549) 3.684 2.008 ( -0.306 0.000 0.174) 0.352 2.015 ( 0.217 0.000 2.137) 2.148 2.165 ( -7.522 0.000 5.702) 9.439 2.183 ( 4.280 0.000 15.554) 16.132 2.216 ( 0.306 0.000 6.863) 6.870 2.311 ( 1.253 0.000 4.244) 4.425 2.320 ( 0.581 0.000 5.285) 5.317 2.379 ( 0.596 0.000 -2.069) 2.153 2.392 ( 1.666 0.000 4.458) 4.759 2.468 ( -2.250 0.000 4.438) 4.976 2.682 ( -3.480 0.000 -2.120) 4.075 2.685 ( -2.686 0.000 -3.629) 4.515 2.802 ( -6.128 0.000 -0.263) 6.133 2.871 ( 7.344 0.000 17.418) 18.903 3.049 ( 3.140 0.000 2.831) 4.228 3.178 ( 0.357 0.000 0.259) 0.442 3.251 ( -1.279 0.000 3.218) 3.463 3.632 ( 10.738 0.000 -1.432) 10.833 3.655 ( 9.356 0.000 -2.055) 9.579 3.872 ( -2.839 0.000 -7.651) 8.161 4.061 ( -0.901 0.000 -6.914) 6.973 4.209 ( -4.473 0.000 -8.936) 9.993 4.210 ( 4.055 0.000 -0.337) 4.069 4.286 ( -3.250 0.000 -3.155) 4.529 4.394 ( -2.692 0.000 -8.130) 8.564 4.674 ( 7.959 0.000 -11.692) 14.144 4.719 ( 10.303 0.000 -10.168) 14.475 4.804 ( 4.885 0.000 -11.547) 12.538 4.934 ( 2.780 0.000 -16.949) 17.175 5.111 ( 0.409 0.000 3.831) 3.853 5.155 ( -0.977 0.000 3.608) 3.738 5.219 ( -0.981 0.000 3.148) 3.298 5.234 ( -1.049 0.000 3.703) 3.849 5.383 ( 2.006 0.000 2.362) 3.099 5.416 ( 2.296 0.000 3.285) 4.008 5.617 ( -0.038 0.000 9.049) 9.049 5.657 ( 2.731 0.000 9.053) 9.456 5.716 ( -2.002 0.000 4.734) 5.140 5.745 ( -2.956 0.000 5.688) 6.410 5.808 ( 1.471 0.000 5.384) 5.581 5.814 ( -3.289 0.000 4.798) 5.817 5.903 ( -0.879 0.000 3.712) 3.815 5.905 ( -0.238 0.000 4.654) 4.660 5.981 ( -0.014 0.000 6.482) 6.482 6.108 ( -1.082 0.000 2.846) 3.044 6.147 ( -0.801 0.000 6.080) 6.132 6.155 ( -2.742 0.000 8.428) 8.863 6.233 ( -9.960 0.000 -3.541) 10.570 6.308 ( -8.908 0.000 -3.754) 9.667 6.578 ( 1.365 0.000 2.097) 2.503 6.602 ( 1.395 0.000 1.911) 2.365 6.679 ( -1.717 0.000 2.798) 3.283 6.707 ( -1.057 0.000 2.404) 2.626 6.763 ( 3.860 0.000 2.133) 4.410 6.778 ( 4.137 0.000 0.894) 4.232 6.851 ( 1.714 0.000 0.655) 1.835 6.859 ( 1.958 0.000 0.881) 2.147 6.876 ( 2.661 0.000 1.976) 3.315 6.882 ( 3.650 0.000 1.662) 4.011 7.340 ( -6.405 0.000 -3.532) 7.314 7.443 ( -9.094 0.000 -1.783) 9.267 7.646 ( 2.586 0.000 0.954) 2.756 7.710 ( 2.036 0.000 -2.421) 3.164 7.754 ( 0.397 0.000 0.011) 0.397 7.857 ( -2.990 0.000 -6.800) 7.428 12.392 ( 1.842 0.000 -2.958) 3.485 12.396 ( 1.747 0.000 -3.220) 3.663 12.583 ( -2.378 0.000 -3.175) 3.967 12.598 ( -2.829 0.000 -3.315) 4.358 13.003 ( 1.560 0.000 1.797) 2.379 13.012 ( 1.728 0.000 1.440) 2.250 13.246 ( -4.224 0.000 1.892) 4.628 13.256 ( -5.291 0.000 1.396) 5.472 13.788 ( 4.297 0.000 2.905) 5.187 13.802 ( 2.933 0.000 2.881) 4.111 13.981 ( -0.809 0.000 -1.509) 1.712 14.010 ( -1.057 0.000 -1.792) 2.081 14.235 ( 2.853 0.000 4.597) 5.410 14.237 ( 2.313 0.000 4.293) 4.877 14.456 ( -1.916 0.000 -1.795) 2.625 14.480 ( -2.490 0.000 -2.678) 3.657 16.962 ( 2.069 0.000 0.085) 2.070 16.994 ( 2.379 0.000 -0.692) 2.477 17.153 ( -0.717 0.000 1.005) 1.235 17.161 ( -0.338 0.000 -0.116) 0.357 17.281 ( 0.554 0.000 2.100) 2.172 17.346 ( -1.251 0.000 0.208) 1.268 17.374 ( 1.442 0.000 -1.840) 2.337 17.412 ( 0.561 0.000 -2.311) 2.378 17.501 ( -1.303 0.000 -1.385) 1.902 17.505 ( -1.052 0.000 -3.328) 3.490 17.544 ( -2.937 0.000 0.625) 3.003 17.570 ( -2.549 0.000 -0.858) 2.689 17.989 ( 2.169 0.000 0.371) 2.200 18.016 ( 0.956 0.000 -0.551) 1.104 18.161 ( -1.740 0.000 2.159) 2.773 18.204 ( -2.252 0.000 0.803) 2.391 18.817 ( 1.395 0.000 1.470) 2.026 18.868 ( 2.428 0.000 1.115) 2.672 18.947 ( -1.433 0.000 1.488) 2.066 18.978 ( 1.857 0.000 0.584) 1.946 19.066 ( -2.121 0.000 -1.707) 2.723 19.122 ( 0.114 0.000 -2.505) 2.508 19.160 ( -0.731 0.000 -2.562) 2.664 19.172 ( -2.134 0.000 -2.613) 3.374 28.271 ( -1.248 0.000 0.191) 1.263 28.293 ( -0.833 0.000 0.268) 0.875 28.326 ( -1.845 0.000 -0.713) 1.977 28.335 ( -0.245 0.000 -0.240) 0.343 28.372 ( 1.652 0.000 -0.397) 1.699 28.373 ( 2.133 0.000 -0.256) 2.148 28.421 ( 0.970 0.000 -0.781) 1.246 28.462 ( -0.145 0.000 -1.355) 1.362 31.088 ( 2.463 0.000 -2.404) 3.442 31.220 ( 2.066 0.000 -5.389) 5.771 31.398 ( -3.678 0.000 0.301) 3.691 31.432 ( 5.369 0.000 2.746) 6.030 31.520 ( 5.723 0.000 0.516) 5.746 31.572 ( 4.688 0.000 0.462) 4.711 31.586 ( 0.227 0.000 -5.439) 5.443 31.744 ( -3.137 0.000 3.451) 4.664 31.883 ( 1.965 0.000 1.321) 2.367 31.885 ( -5.303 0.000 -6.278) 8.218 32.028 ( 3.419 0.000 1.346) 3.675 32.057 ( 5.883 0.000 -2.137) 6.259 32.198 ( 6.360 0.000 3.738) 7.377 32.296 ( -11.359 0.000 -4.487) 12.214 32.309 ( -2.942 0.000 5.418) 6.165 32.415 ( 2.956 0.000 2.901) 4.142 32.617 ( 0.431 0.000 -0.509) 0.668 32.836 ( -4.377 0.000 7.392) 8.591 32.903 ( 7.461 0.000 -4.556) 8.742 33.351 ( -4.508 0.000 -7.474) 8.729 33.948 ( 2.111 0.000 20.654) 20.761 34.147 ( -2.141 0.000 6.416) 6.764 34.678 ( 0.615 0.000 6.417) 6.446 35.124 ( -9.546 0.000 -0.422) 9.556 ======================= Grid point 77 (30/45) ======================= q-point: ( 0.40 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.608 ( 2.225 0.000 6.871) 7.222 1.616 ( 11.176 0.000 16.199) 19.680 1.710 ( -6.486 0.000 5.461) 8.479 1.818 ( 0.927 0.000 4.690) 4.781 1.867 ( -0.456 0.000 3.207) 3.239 1.893 ( -4.336 0.000 4.253) 6.074 1.921 ( -0.292 0.000 2.632) 2.648 1.933 ( -7.060 0.000 9.490) 11.828 2.018 ( 0.688 0.000 2.964) 3.043 2.024 ( 0.261 0.000 3.626) 3.636 2.255 ( 2.138 0.000 7.078) 7.394 2.262 ( 1.889 0.000 3.680) 4.137 2.348 ( 1.452 0.000 3.677) 3.953 2.355 ( 1.718 0.000 2.682) 3.185 2.401 ( 2.446 0.000 1.197) 2.723 2.432 ( 3.354 0.000 6.296) 7.133 2.453 ( 0.529 0.000 -1.679) 1.760 2.585 ( -6.946 0.000 -1.679) 7.146 2.615 ( -3.120 0.000 -1.346) 3.398 2.640 ( -6.312 0.000 1.731) 6.545 3.047 ( 8.124 0.000 13.761) 15.980 3.112 ( 2.396 0.000 3.201) 3.998 3.158 ( -1.551 0.000 2.924) 3.310 3.191 ( -4.592 0.000 8.104) 9.315 3.872 ( 9.737 0.000 -4.625) 10.779 3.874 ( 8.786 0.000 -5.645) 10.443 3.906 ( 5.945 0.000 -12.872) 14.179 4.046 ( -4.582 0.000 -10.095) 11.086 4.100 ( -4.057 0.000 -12.203) 12.860 4.144 ( -7.347 0.000 -5.193) 8.997 4.253 ( 2.632 0.000 -8.061) 8.480 4.356 ( -3.682 0.000 -11.169) 11.760 4.861 ( 5.396 0.000 -5.082) 7.412 4.867 ( 9.353 0.000 -3.946) 10.152 4.972 ( -0.463 0.000 -6.179) 6.197 5.001 ( 9.698 0.000 -4.476) 10.681 5.088 ( -5.938 0.000 3.619) 6.954 5.139 ( -1.587 0.000 6.147) 6.349 5.170 ( -0.374 0.000 5.219) 5.233 5.180 ( -2.371 0.000 -0.246) 2.384 5.465 ( 4.504 0.000 4.123) 6.106 5.509 ( 5.381 0.000 2.626) 5.988 5.562 ( -4.003 0.000 9.018) 9.867 5.640 ( -5.505 0.000 7.492) 9.297 5.718 ( 1.080 0.000 2.196) 2.447 5.738 ( -1.032 0.000 2.718) 2.907 5.758 ( 3.293 0.000 2.867) 4.366 5.823 ( -0.965 0.000 2.270) 2.467 5.901 ( 1.550 0.000 2.355) 2.819 5.933 ( 2.438 0.000 3.054) 3.908 5.980 ( -0.199 0.000 6.449) 6.452 5.997 ( -6.954 0.000 3.688) 7.871 6.065 ( -4.161 0.000 6.063) 7.353 6.079 ( -3.979 0.000 0.445) 4.004 6.127 ( -1.067 0.000 5.751) 5.849 6.154 ( -4.377 0.000 0.290) 4.386 6.598 ( 0.886 0.000 2.409) 2.567 6.618 ( -0.546 0.000 2.443) 2.504 6.658 ( 0.383 0.000 1.183) 1.244 6.681 ( -1.321 0.000 1.207) 1.790 6.824 ( 1.730 0.000 3.403) 3.817 6.836 ( 1.142 0.000 3.058) 3.264 6.864 ( 0.105 0.000 2.148) 2.151 6.875 ( -0.373 0.000 2.136) 2.168 7.016 ( 9.506 0.000 -0.677) 9.530 7.018 ( 7.945 0.000 -1.415) 8.070 7.193 ( -7.208 0.000 -2.516) 7.635 7.239 ( -9.881 0.000 -2.141) 10.110 7.691 ( 2.065 0.000 0.356) 2.095 7.730 ( -0.460 0.000 0.079) 0.467 7.763 ( 0.282 0.000 -1.353) 1.382 7.784 ( -2.783 0.000 -4.013) 4.884 12.446 ( 3.078 0.000 -3.034) 4.322 12.447 ( 2.883 0.000 -3.229) 4.329 12.520 ( -3.234 0.000 -3.172) 4.530 12.526 ( -3.611 0.000 -3.102) 4.760 13.053 ( 3.107 0.000 1.033) 3.274 13.061 ( 2.761 0.000 0.869) 2.895 13.147 ( -4.507 0.000 0.836) 4.584 13.147 ( -4.404 0.000 0.821) 4.480 13.875 ( 3.448 0.000 3.055) 4.606 13.875 ( 3.487 0.000 3.214) 4.742 13.950 ( -1.956 0.000 1.663) 2.567 13.964 ( -2.967 0.000 1.840) 3.491 14.312 ( 4.404 0.000 0.278) 4.412 14.313 ( 4.153 0.000 1.283) 4.346 14.398 ( -3.502 0.000 -0.674) 3.566 14.407 ( -4.184 0.000 -1.706) 4.518 17.022 ( 3.463 0.000 0.689) 3.531 17.057 ( 3.068 0.000 -0.248) 3.078 17.107 ( -3.221 0.000 0.799) 3.319 17.129 ( -2.615 0.000 -0.219) 2.624 17.314 ( 2.328 0.000 1.513) 2.777 17.340 ( 0.284 0.000 1.810) 1.832 17.409 ( 1.325 0.000 -0.167) 1.336 17.421 ( -0.211 0.000 -0.703) 0.734 17.470 ( -1.156 0.000 -2.235) 2.517 17.479 ( -1.074 0.000 -4.455) 4.582 17.486 ( -1.389 0.000 -1.616) 2.131 17.510 ( -2.534 0.000 -3.111) 4.012 18.038 ( 1.812 0.000 0.758) 1.964 18.040 ( 1.103 0.000 0.433) 1.185 18.126 ( -0.912 0.000 1.444) 1.708 18.149 ( -2.561 0.000 0.854) 2.700 18.856 ( 2.121 0.000 1.721) 2.731 18.902 ( -1.906 0.000 1.445) 2.392 18.939 ( 3.226 0.000 1.344) 3.494 19.010 ( -3.093 0.000 -0.147) 3.096 19.031 ( 3.003 0.000 -0.976) 3.158 19.098 ( -2.893 0.000 -1.874) 3.447 19.138 ( -0.185 0.000 -2.235) 2.243 19.145 ( -0.596 0.000 -2.104) 2.186 28.259 ( 0.123 0.000 0.331) 0.353 28.274 ( -1.074 0.000 0.493) 1.181 28.304 ( 0.040 0.000 -0.572) 0.573 28.318 ( -0.978 0.000 -0.344) 1.037 28.409 ( 1.433 0.000 -0.428) 1.496 28.417 ( 1.562 0.000 -0.447) 1.625 28.431 ( 0.107 0.000 -0.918) 0.924 28.451 ( -0.952 0.000 -1.154) 1.495 31.165 ( 4.502 0.000 -1.749) 4.830 31.254 ( -2.315 0.000 -2.493) 3.402 31.357 ( 3.079 0.000 -0.863) 3.198 31.461 ( -4.050 0.000 0.399) 4.070 31.610 ( 4.554 0.000 -1.589) 4.823 31.649 ( 5.683 0.000 0.089) 5.683 31.704 ( 3.113 0.000 0.786) 3.210 31.722 ( -3.694 0.000 -1.373) 3.941 31.786 ( 2.038 0.000 -4.797) 5.212 31.882 ( -1.342 0.000 3.973) 4.193 32.047 ( -6.003 0.000 -7.426) 9.549 32.092 ( -5.310 0.000 1.432) 5.500 32.179 ( 5.868 0.000 1.876) 6.161 32.257 ( 2.010 0.000 2.752) 3.407 32.332 ( 3.295 0.000 1.947) 3.827 32.436 ( -2.729 0.000 4.704) 5.438 32.655 ( 3.556 0.000 -1.411) 3.826 32.736 ( -4.063 0.000 -0.580) 4.104 33.062 ( 7.503 0.000 -4.770) 8.891 33.223 ( -7.289 0.000 -7.242) 10.275 34.008 ( 3.433 0.000 18.220) 18.540 34.085 ( -3.541 0.000 12.399) 12.895 34.730 ( 4.900 0.000 4.816) 6.870 34.896 ( -10.376 0.000 2.995) 10.800 ======================= Grid point 80 (31/45) ======================= q-point: ( 0.00 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.389 ( 0.000 4.124 19.145) 19.584 1.560 ( 0.000 -2.832 9.926) 10.322 1.715 ( 0.000 2.336 13.325) 13.529 1.865 ( 0.000 -4.057 6.946) 8.044 1.875 ( 0.000 0.021 4.972) 4.972 1.926 ( 0.000 -1.325 3.795) 4.020 1.959 ( 0.000 0.920 1.655) 1.894 2.013 ( 0.000 -1.809 -0.981) 2.057 2.036 ( 0.000 1.946 2.125) 2.882 2.152 ( 0.000 -3.144 4.174) 5.226 2.153 ( 0.000 3.281 16.746) 17.064 2.231 ( 0.000 -1.241 6.565) 6.681 2.331 ( 0.000 1.246 4.801) 4.960 2.344 ( 0.000 0.347 1.495) 1.534 2.366 ( 0.000 0.436 4.748) 4.768 2.369 ( 0.000 -0.271 -1.932) 1.951 2.519 ( 0.000 2.111 9.179) 9.419 2.654 ( 0.000 -4.605 6.450) 7.925 2.746 ( 0.000 2.048 -3.866) 4.375 2.835 ( 0.000 0.250 3.874) 3.882 2.861 ( 0.000 1.921 4.079) 4.508 2.986 ( 0.000 -2.279 3.371) 4.069 3.179 ( 0.000 2.078 -2.265) 3.074 3.251 ( 0.000 -1.067 0.361) 1.127 3.510 ( 0.000 0.961 -0.791) 1.244 3.541 ( 0.000 -0.378 -0.326) 0.499 4.013 ( 0.000 0.823 -6.541) 6.593 4.038 ( 0.000 -0.579 4.236) 4.275 4.140 ( 0.000 1.063 -1.958) 2.228 4.182 ( 0.000 -1.103 5.489) 5.599 4.394 ( 0.000 1.206 -3.227) 3.445 4.452 ( 0.000 -1.237 -3.907) 4.098 4.570 ( 0.000 1.487 -18.396) 18.456 4.580 ( 0.000 2.168 -16.161) 16.306 4.753 ( 0.000 0.391 -20.427) 20.431 4.868 ( 0.000 -3.249 -20.886) 21.138 5.121 ( 0.000 0.701 1.430) 1.593 5.162 ( 0.000 -0.951 1.489) 1.767 5.212 ( 0.000 0.187 1.521) 1.533 5.228 ( 0.000 -0.451 1.319) 1.394 5.380 ( 0.000 0.497 4.675) 4.702 5.400 ( 0.000 -0.328 5.664) 5.674 5.609 ( 0.000 0.079 9.411) 9.411 5.620 ( 0.000 -0.464 9.623) 9.635 5.766 ( 0.000 0.083 5.736) 5.737 5.775 ( 0.000 -0.161 7.104) 7.106 5.786 ( 0.000 0.848 6.810) 6.862 5.833 ( 0.000 -0.995 6.355) 6.432 5.927 ( 0.000 0.915 4.839) 4.924 5.958 ( 0.000 2.736 4.445) 5.220 5.970 ( 0.000 -0.905 5.622) 5.695 6.075 ( 0.000 -2.049 1.585) 2.590 6.161 ( 0.000 0.256 4.833) 4.840 6.178 ( 0.000 -0.337 6.218) 6.227 6.374 ( 0.000 0.798 -2.190) 2.331 6.418 ( 0.000 -1.071 -1.711) 2.018 6.560 ( 0.000 0.765 1.771) 1.929 6.583 ( 0.000 -0.075 1.975) 1.977 6.711 ( 0.000 0.229 -1.286) 1.306 6.717 ( 0.000 0.095 3.752) 3.753 6.723 ( 0.000 0.211 4.472) 4.477 6.724 ( 0.000 0.082 5.703) 5.704 6.793 ( 0.000 -0.690 0.355) 0.776 6.806 ( 0.000 -1.417 -1.430) 2.013 6.866 ( 0.000 0.813 1.498) 1.704 6.870 ( 0.000 0.708 0.096) 0.715 7.461 ( 0.000 3.230 -5.401) 6.293 7.586 ( 0.000 -1.524 1.186) 1.931 7.587 ( 0.000 0.773 2.941) 3.041 7.644 ( 0.000 -1.356 -7.732) 7.850 7.757 ( 0.000 0.692 0.312) 0.759 7.847 ( 0.000 -3.765 -5.242) 6.454 12.373 ( 0.000 0.092 -2.960) 2.961 12.376 ( 0.000 -0.051 -3.160) 3.160 12.614 ( 0.000 0.339 -3.269) 3.287 12.628 ( 0.000 -0.255 -3.489) 3.498 12.987 ( 0.000 0.064 2.179) 2.180 12.991 ( 0.000 -0.099 1.943) 1.946 13.301 ( 0.000 0.433 2.687) 2.722 13.322 ( 0.000 -0.438 1.876) 1.926 13.735 ( 0.000 0.512 2.785) 2.832 13.761 ( 0.000 -0.586 2.453) 2.522 13.992 ( 0.000 0.414 -4.095) 4.116 14.012 ( 0.000 -0.422 -4.326) 4.346 14.205 ( 0.000 0.171 6.953) 6.955 14.213 ( 0.000 -0.153 6.963) 6.965 14.480 ( 0.000 0.406 -2.319) 2.354 14.502 ( 0.000 -0.478 -2.888) 2.927 16.943 ( 0.000 0.362 -0.168) 0.399 16.962 ( 0.000 -0.438 -0.582) 0.728 17.159 ( 0.000 0.382 0.820) 0.905 17.163 ( 0.000 0.227 0.010) 0.227 17.259 ( 0.000 -1.113 1.452) 1.829 17.308 ( 0.000 -3.448 -0.278) 3.460 17.400 ( 0.000 2.540 -1.986) 3.224 17.427 ( 0.000 0.928 -1.861) 2.079 17.520 ( 0.000 0.460 -1.295) 1.374 17.531 ( 0.000 0.867 -2.265) 2.426 17.580 ( 0.000 0.086 0.952) 0.955 17.594 ( 0.000 -0.506 0.200) 0.544 17.964 ( 0.000 0.190 -0.143) 0.238 17.993 ( 0.000 -1.110 -0.909) 1.435 18.189 ( 0.000 0.703 2.150) 2.262 18.223 ( 0.000 -0.717 1.008) 1.237 18.818 ( 0.000 1.648 1.117) 1.991 18.854 ( 0.000 1.063 0.778) 1.317 18.934 ( 0.000 -1.448 1.399) 2.013 18.955 ( 0.000 -1.329 1.602) 2.081 19.102 ( 0.000 0.786 -2.360) 2.487 19.117 ( 0.000 -0.013 -2.889) 2.889 19.167 ( 0.000 -0.132 -2.901) 2.904 19.186 ( 0.000 -0.994 -2.804) 2.975 28.306 ( 0.000 -0.060 -0.339) 0.344 28.306 ( 0.000 -0.103 0.056) 0.117 28.315 ( 0.000 0.338 0.161) 0.374 28.333 ( 0.000 -0.507 0.122) 0.521 28.361 ( 0.000 0.177 -0.938) 0.954 28.364 ( 0.000 0.158 -0.532) 0.555 28.410 ( 0.000 0.874 -0.624) 1.074 28.453 ( 0.000 -0.915 -1.244) 1.544 31.087 ( 0.000 2.349 -2.814) 3.666 31.193 ( 0.000 -1.644 -5.380) 5.626 31.373 ( 0.000 1.037 1.214) 1.597 31.422 ( 0.000 -0.585 0.409) 0.714 31.434 ( 0.000 -0.476 -1.877) 1.937 31.488 ( 0.000 -3.001 -1.365) 3.297 31.640 ( 0.000 3.941 -0.305) 3.953 31.780 ( 0.000 -2.452 3.861) 4.574 31.836 ( 0.000 -0.108 -1.720) 1.723 31.898 ( 0.000 -2.542 -3.808) 4.578 32.017 ( 0.000 1.059 4.104) 4.238 32.049 ( 0.000 -0.030 7.458) 7.458 32.104 ( 0.000 5.931 -6.669) 8.925 32.354 ( 0.000 -4.347 -7.930) 9.044 32.393 ( 0.000 3.203 9.699) 10.215 32.458 ( 0.000 1.379 6.837) 6.975 32.650 ( 0.000 3.915 -3.129) 5.011 32.772 ( 0.000 -1.330 -2.979) 3.263 32.890 ( 0.000 0.761 6.250) 6.297 33.224 ( 0.000 -13.913 -1.051) 13.952 34.129 ( 0.000 15.848 11.896) 19.816 34.227 ( 0.000 5.235 3.376) 6.229 34.652 ( 0.000 -1.283 9.169) 9.259 35.081 ( 0.000 -15.048 2.129) 15.198 ======================= Grid point 81 (32/45) ======================= q-point: ( 0.20 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 5.376 2.734 18.114) 19.092 1.570 ( 0.754 -2.319 9.405) 9.716 1.755 ( 3.496 1.893 9.637) 10.425 1.844 ( -2.516 -2.032 5.128) 6.063 1.877 ( -0.151 0.476 5.241) 5.265 1.903 ( -1.860 -0.063 2.726) 3.300 1.943 ( -1.080 0.213 2.006) 2.288 1.988 ( -1.527 -1.780 0.707) 2.450 2.036 ( 0.197 2.013 2.834) 3.482 2.162 ( 0.116 -2.341 3.656) 4.343 2.197 ( 2.844 1.172 13.488) 13.834 2.210 ( -5.822 0.550 8.537) 10.348 2.240 ( -0.170 -1.397 5.156) 5.344 2.329 ( -1.467 -3.243 2.831) 4.548 2.398 ( 2.515 2.185 1.117) 3.514 2.409 ( 2.223 0.837 0.627) 2.457 2.493 ( -1.728 2.728 5.839) 6.673 2.631 ( -2.004 -3.604 0.992) 4.241 2.712 ( -3.163 1.817 -2.366) 4.348 2.789 ( -5.595 -1.414 -0.643) 5.807 2.907 ( 5.665 3.174 13.125) 14.644 3.026 ( 3.422 -2.235 4.232) 5.883 3.194 ( 0.049 1.488 0.716) 1.652 3.245 ( -1.099 -0.712 2.805) 3.095 3.639 ( 10.482 0.585 -1.620) 10.623 3.654 ( 9.509 -0.082 -2.041) 9.726 3.895 ( -2.442 2.296 -7.380) 8.106 4.024 ( -0.795 -3.318 -6.609) 7.438 4.227 ( 3.001 1.402 -0.949) 3.446 4.239 ( -1.718 2.409 -7.013) 7.612 4.284 ( -5.004 0.167 -4.874) 6.988 4.378 ( -3.252 -1.811 -8.519) 9.296 4.684 ( 7.872 1.027 -11.680) 14.122 4.719 ( 8.553 -0.216 -10.917) 13.870 4.812 ( 6.012 1.258 -11.513) 13.049 4.912 ( 3.956 -2.225 -15.749) 16.390 5.113 ( -0.139 0.369 3.117) 3.142 5.147 ( -0.830 -0.859 2.649) 2.905 5.222 ( -0.730 0.371 4.066) 4.148 5.236 ( -0.758 0.012 3.678) 3.756 5.388 ( 2.023 0.541 2.480) 3.246 5.412 ( 2.280 -0.408 3.089) 3.861 5.620 ( 0.278 0.307 9.185) 9.194 5.647 ( 2.219 -0.899 9.234) 9.539 5.718 ( -2.376 0.241 4.886) 5.438 5.739 ( -2.968 -0.612 5.581) 6.351 5.812 ( 0.885 0.318 5.664) 5.742 5.817 ( -2.087 0.228 4.968) 5.394 5.897 ( -1.155 -0.075 3.972) 4.137 5.912 ( -1.421 -0.043 3.714) 3.977 6.000 ( 0.789 2.068 6.214) 6.597 6.099 ( 0.065 -1.373 3.165) 3.450 6.140 ( -1.852 -0.296 6.843) 7.095 6.152 ( -2.732 -0.352 8.054) 8.512 6.243 ( -9.782 1.041 -3.686) 10.505 6.296 ( -9.012 -1.148 -3.738) 9.824 6.585 ( 1.394 0.701 1.925) 2.478 6.604 ( 1.399 0.033 1.746) 2.237 6.683 ( -1.692 0.469 2.745) 3.259 6.705 ( -1.216 -0.312 2.523) 2.818 6.765 ( 3.564 0.160 1.839) 4.014 6.775 ( 3.953 -0.290 0.991) 4.085 6.836 ( 2.117 -0.804 1.464) 2.697 6.847 ( 3.327 -1.003 0.535) 3.516 6.885 ( 2.195 0.890 2.160) 3.206 6.895 ( 2.689 0.606 1.139) 2.982 7.358 ( -7.089 1.779 -3.528) 8.115 7.432 ( -9.106 -1.198 -2.317) 9.472 7.654 ( 2.767 0.932 0.283) 2.933 7.703 ( 2.210 -0.764 -2.507) 3.428 7.759 ( 0.210 0.494 0.002) 0.537 7.826 ( -2.029 -2.763 -4.388) 5.568 12.393 ( 1.839 0.089 -3.004) 3.523 12.396 ( 1.779 -0.023 -3.187) 3.650 12.586 ( -2.445 0.254 -3.203) 4.038 12.596 ( -2.766 -0.166 -3.305) 4.313 13.004 ( 1.602 0.127 1.745) 2.372 13.010 ( 1.727 -0.132 1.492) 2.286 13.248 ( -4.397 0.156 1.813) 4.759 13.255 ( -5.145 -0.131 1.464) 5.350 13.790 ( 4.103 0.144 2.937) 5.048 13.799 ( 3.145 -0.256 2.910) 4.292 13.986 ( -0.817 0.471 -1.499) 1.770 14.006 ( -0.971 -0.358 -1.700) 1.990 14.233 ( 2.575 -0.127 4.411) 5.109 14.235 ( 2.294 -0.154 4.372) 4.940 14.460 ( -1.876 0.411 -1.903) 2.704 14.477 ( -2.304 -0.288 -2.523) 3.429 16.966 ( 2.054 0.365 0.018) 2.087 16.988 ( 2.275 -0.554 -0.528) 2.400 17.153 ( -0.848 0.123 0.729) 1.125 17.163 ( -0.602 0.040 0.145) 0.621 17.264 ( 0.817 -0.693 1.433) 1.789 17.318 ( 0.915 -2.755 0.322) 2.921 17.396 ( -0.086 2.061 -1.769) 2.717 17.423 ( -0.149 0.498 -2.286) 2.344 17.506 ( -1.163 0.924 -1.340) 2.001 17.526 ( -0.606 1.125 -2.826) 3.101 17.545 ( -2.891 0.136 0.666) 2.969 17.564 ( -2.604 -0.622 -0.628) 2.750 17.985 ( 1.614 -0.186 0.068) 1.626 18.007 ( 1.376 -0.920 -0.356) 1.693 18.167 ( -1.867 0.665 1.963) 2.789 18.199 ( -2.032 -0.563 1.046) 2.354 18.834 ( 1.354 1.632 1.226) 2.450 18.876 ( 1.977 0.648 0.892) 2.264 18.939 ( -0.578 -0.893 1.415) 1.770 18.955 ( 0.798 -1.814 1.312) 2.376 19.081 ( -1.452 1.237 -1.965) 2.739 19.118 ( -0.069 -0.417 -2.437) 2.474 19.155 ( -1.262 -0.384 -2.510) 2.836 19.165 ( -1.531 -0.574 -2.634) 3.100 28.275 ( -1.150 0.382 0.115) 1.218 28.291 ( -0.729 -0.216 0.139) 0.773 28.324 ( -1.444 -0.095 -0.438) 1.512 28.334 ( -0.688 -0.288 -0.161) 0.763 28.371 ( 1.865 0.196 -0.470) 1.933 28.378 ( 1.725 0.141 -0.416) 1.780 28.427 ( 0.847 0.532 -0.781) 1.269 28.455 ( 0.040 -0.664 -1.203) 1.375 31.110 ( 2.418 2.256 -2.705) 4.272 31.210 ( 2.313 -1.374 -4.860) 5.555 31.390 ( -2.336 -0.131 -0.653) 2.429 31.440 ( 2.773 -0.172 1.340) 3.084 31.500 ( 4.934 -0.811 -0.458) 5.021 31.548 ( 7.038 -1.464 0.035) 7.189 31.619 ( -0.961 2.225 -0.895) 2.584 31.718 ( -3.050 -2.451 3.319) 5.131 31.891 ( 2.754 0.974 0.192) 2.927 31.914 ( -2.517 1.993 -4.341) 5.399 32.044 ( 4.073 -0.439 -3.566) 5.431 32.048 ( 2.711 1.216 1.272) 3.232 32.197 ( 4.091 0.184 2.535) 4.816 32.272 ( -8.787 -2.191 -5.214) 10.449 32.346 ( -3.201 2.779 5.138) 6.661 32.412 ( 0.962 -0.078 5.386) 5.472 32.673 ( 1.512 5.157 -0.550) 5.402 32.825 ( -1.258 -1.597 6.516) 6.826 32.883 ( 3.178 -0.219 -4.524) 5.533 33.206 ( -1.470 -12.151 -2.929) 12.585 34.108 ( -1.833 12.999 12.256) 17.959 34.241 ( 1.264 8.719 6.628) 11.025 34.634 ( -1.315 -3.564 8.136) 8.979 34.986 ( -8.075 -13.462 3.502) 16.084 ======================= Grid point 82 (33/45) ======================= q-point: ( 0.40 0.25 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.596 ( 2.820 -0.702 8.083) 8.589 1.606 ( 7.743 -0.951 12.846) 15.029 1.736 ( -5.263 2.508 6.302) 8.585 1.820 ( 0.294 -0.342 6.029) 6.046 1.872 ( -0.683 0.464 3.927) 4.012 1.890 ( -0.384 0.182 2.284) 2.323 1.901 ( -5.460 -1.739 10.371) 11.849 1.930 ( -0.512 -0.323 1.026) 1.192 2.041 ( -0.138 2.430 2.036) 3.173 2.067 ( -1.469 3.886 6.227) 7.486 2.204 ( 0.643 -4.640 4.479) 6.480 2.244 ( -0.488 -3.935 4.115) 5.715 2.282 ( 4.291 -0.140 6.176) 7.522 2.356 ( 4.513 -2.942 5.012) 7.358 2.437 ( 0.464 3.382 1.270) 3.643 2.462 ( 1.957 1.303 -0.954) 2.537 2.480 ( 1.360 2.799 2.048) 3.726 2.575 ( -3.820 -1.207 -1.338) 4.224 2.613 ( -5.126 -0.132 -0.501) 5.152 2.630 ( -6.899 -0.885 1.722) 7.165 3.058 ( 7.296 1.094 11.978) 14.068 3.103 ( 3.275 -0.851 4.344) 5.506 3.167 ( -2.132 0.804 4.141) 4.726 3.189 ( -4.129 -0.167 7.486) 8.551 3.870 ( 8.976 -0.023 -5.483) 10.518 3.875 ( 9.762 -0.105 -5.154) 11.040 3.932 ( 4.869 2.526 -12.410) 13.568 4.034 ( -2.781 -1.536 -10.256) 10.737 4.135 ( -4.172 3.289 -11.716) 12.864 4.153 ( -5.987 1.229 -6.534) 8.947 4.226 ( -0.438 -2.074 -6.947) 7.263 4.329 ( -3.493 -2.997 -12.110) 12.955 4.871 ( 6.687 0.789 -5.443) 8.658 4.875 ( 9.278 0.696 -4.661) 10.406 4.967 ( 2.111 0.142 -4.161) 4.668 5.013 ( 6.028 0.325 -5.703) 8.304 5.088 ( -3.801 0.412 5.376) 6.597 5.138 ( -0.682 -0.531 4.753) 4.831 5.170 ( -1.449 0.034 4.523) 4.750 5.174 ( -3.706 -0.373 0.536) 3.763 5.474 ( 4.714 0.850 3.946) 6.206 5.507 ( 5.573 -0.342 2.882) 6.283 5.573 ( -4.034 1.079 8.637) 9.594 5.630 ( -4.834 -1.126 7.912) 9.340 5.704 ( 0.010 -0.699 2.083) 2.197 5.732 ( 2.590 -1.676 1.928) 3.638 5.760 ( -1.418 1.293 3.193) 3.725 5.819 ( -0.679 -0.880 3.260) 3.444 5.901 ( 2.299 0.390 2.135) 3.162 5.932 ( 2.789 -0.322 2.476) 3.743 5.997 ( -2.508 1.394 5.321) 6.045 6.007 ( -5.473 1.029 4.201) 6.976 6.059 ( -4.100 -0.318 6.426) 7.629 6.089 ( -3.940 1.035 0.647) 4.125 6.111 ( -0.826 -1.618 6.205) 6.465 6.142 ( -4.346 -1.184 0.536) 4.536 6.607 ( 0.994 0.921 2.121) 2.517 6.626 ( 0.037 0.635 2.109) 2.203 6.654 ( -0.318 -0.272 1.485) 1.543 6.675 ( -1.407 -0.613 1.322) 2.025 6.818 ( 1.373 -0.323 3.508) 3.780 6.834 ( 1.649 -0.706 2.988) 3.485 6.859 ( -0.299 0.209 2.260) 2.289 6.878 ( -0.059 -0.113 1.927) 1.931 7.018 ( 9.026 0.192 -0.880) 9.071 7.020 ( 8.481 0.183 -1.007) 8.542 7.199 ( -7.778 0.588 -2.545) 8.205 7.231 ( -9.650 -0.769 -2.273) 9.944 7.698 ( 1.696 0.743 0.025) 1.852 7.730 ( 0.453 -0.139 -0.483) 0.677 7.758 ( -0.882 -0.385 -1.069) 1.438 7.774 ( -1.712 -0.873 -2.908) 3.485 12.446 ( 2.962 0.086 -3.109) 4.295 12.449 ( 3.130 0.082 -3.169) 4.455 12.521 ( -3.388 0.083 -3.186) 4.651 12.525 ( -3.575 -0.062 -3.132) 4.753 13.055 ( 3.123 0.184 0.986) 3.280 13.061 ( 3.002 -0.006 0.869) 3.125 13.145 ( -4.678 -0.087 0.820) 4.751 13.147 ( -4.504 -0.087 0.843) 4.583 13.872 ( 3.229 0.009 3.119) 4.489 13.878 ( 3.918 0.008 3.050) 4.965 13.951 ( -2.563 0.198 1.918) 3.207 13.964 ( -2.540 -0.087 1.941) 3.197 14.304 ( 3.494 -0.572 0.508) 3.577 14.306 ( 3.884 -0.559 0.474) 3.953 14.405 ( -2.986 0.612 -0.620) 3.111 14.411 ( -3.522 0.305 -1.353) 3.785 17.024 ( 3.241 0.261 0.652) 3.316 17.050 ( 3.249 -0.700 -0.110) 3.325 17.108 ( -3.192 0.177 0.732) 3.280 17.124 ( -2.798 -0.510 0.056) 2.845 17.298 ( 1.756 -0.134 1.021) 2.036 17.354 ( 2.458 -1.354 0.729) 2.899 17.399 ( -0.437 0.860 -0.723) 1.206 17.423 ( 0.174 -0.028 -0.512) 0.541 17.468 ( -2.202 0.672 -1.625) 2.818 17.488 ( -1.506 0.157 -1.828) 2.374 17.504 ( -1.580 0.516 -2.308) 2.845 17.516 ( -0.780 1.097 -3.822) 4.052 18.013 ( 0.755 -0.682 0.444) 1.110 18.053 ( 2.737 -1.086 0.612) 3.007 18.118 ( -2.659 0.698 1.305) 3.043 18.157 ( -1.397 0.014 1.177) 1.827 18.869 ( 1.836 1.392 1.590) 2.799 18.907 ( -1.091 0.523 1.326) 1.795 18.933 ( 1.920 -0.657 1.556) 2.557 18.970 ( -0.255 -2.594 0.478) 2.650 19.062 ( 0.207 1.645 -1.300) 2.107 19.105 ( -2.022 0.797 -2.087) 3.013 19.120 ( -0.457 -1.423 -1.951) 2.458 19.144 ( -0.533 -0.458 -2.358) 2.460 28.263 ( 0.044 0.497 0.205) 0.539 28.280 ( -0.617 0.549 0.436) 0.934 28.297 ( -0.374 -0.591 -0.457) 0.835 28.313 ( -0.915 -0.496 -0.156) 1.052 28.408 ( 1.298 0.060 -0.621) 1.440 28.418 ( 1.654 -0.093 -0.698) 1.798 28.434 ( -0.108 0.357 -0.708) 0.800 28.449 ( -0.705 -0.250 -1.003) 1.251 31.186 ( 4.254 2.148 -2.222) 5.258 31.275 ( 0.339 1.390 -2.952) 3.280 31.329 ( 0.089 -1.917 -0.949) 2.141 31.430 ( -3.440 -3.064 -0.052) 4.607 31.621 ( 4.055 1.577 -0.459) 4.375 31.646 ( 4.054 0.412 1.159) 4.237 31.702 ( 2.828 -0.616 1.528) 3.273 31.718 ( 2.976 -1.836 -0.196) 3.502 31.827 ( -1.241 4.310 -5.790) 7.324 31.900 ( -1.238 1.948 2.739) 3.582 32.021 ( -6.797 -2.309 -6.705) 9.823 32.067 ( -5.182 -2.635 1.010) 5.901 32.200 ( 5.996 2.000 1.604) 6.521 32.269 ( 4.548 0.281 1.929) 4.948 32.329 ( -0.486 0.641 2.883) 2.993 32.416 ( -2.455 -1.832 4.247) 5.237 32.694 ( 0.164 3.203 -2.208) 3.894 32.795 ( 0.664 6.319 -0.082) 6.354 32.949 ( 1.554 -8.119 -4.561) 9.441 33.173 ( -1.247 -7.017 -5.077) 8.750 34.069 ( -1.278 10.025 14.108) 17.355 34.270 ( 1.052 13.764 11.585) 18.021 34.625 ( 0.910 -10.312 6.106) 12.019 34.804 ( -7.037 -9.237 5.252) 12.745 ======================= Grid point 85 (34/45) ======================= q-point: ( 0.00 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.482 ( 0.000 -5.022 15.066) 15.881 1.482 ( 0.000 5.022 15.066) 15.881 1.779 ( 0.000 -4.232 11.101) 11.880 1.779 ( 0.000 4.232 11.101) 11.880 1.894 ( 0.000 -1.633 4.023) 4.342 1.894 ( 0.000 1.633 4.023) 4.342 1.982 ( 0.000 -1.416 0.321) 1.452 1.982 ( 0.000 1.416 0.321) 1.452 2.086 ( 0.000 -3.264 3.203) 4.573 2.086 ( 0.000 3.264 3.203) 4.573 2.206 ( 0.000 -1.993 10.875) 11.056 2.206 ( 0.000 1.993 10.875) 11.056 2.345 ( 0.000 -0.350 2.845) 2.866 2.345 ( 0.000 0.350 2.845) 2.866 2.367 ( 0.000 -0.089 0.485) 0.493 2.367 ( 0.000 0.089 0.485) 0.493 2.575 ( 0.000 -3.664 8.928) 9.651 2.575 ( 0.000 3.664 8.928) 9.651 2.795 ( 0.000 -2.778 -2.678) 3.858 2.795 ( 0.000 2.778 -2.678) 3.858 2.928 ( 0.000 -3.594 5.955) 6.955 2.928 ( 0.000 3.594 5.955) 6.955 3.221 ( 0.000 -2.087 -0.949) 2.293 3.221 ( 0.000 2.087 -0.949) 2.293 3.529 ( 0.000 -0.925 -0.641) 1.125 3.529 ( 0.000 0.925 -0.641) 1.125 4.028 ( 0.000 -0.612 -2.148) 2.234 4.028 ( 0.000 0.612 -2.148) 2.234 4.160 ( 0.000 -1.080 2.942) 3.134 4.160 ( 0.000 1.080 2.942) 3.134 4.423 ( 0.000 -1.679 -3.714) 4.076 4.423 ( 0.000 1.679 -3.714) 4.076 4.597 ( 0.000 -0.717 -17.375) 17.390 4.597 ( 0.000 0.717 -17.375) 17.390 4.793 ( 0.000 -3.835 -20.726) 21.077 4.793 ( 0.000 3.835 -20.726) 21.077 5.140 ( 0.000 -1.188 0.662) 1.360 5.140 ( 0.000 1.188 0.662) 1.360 5.218 ( 0.000 -0.449 2.177) 2.223 5.218 ( 0.000 0.449 2.177) 2.223 5.391 ( 0.000 -0.573 5.156) 5.188 5.391 ( 0.000 0.573 5.156) 5.188 5.612 ( 0.000 -0.277 9.628) 9.632 5.612 ( 0.000 0.277 9.628) 9.632 5.769 ( 0.000 -0.268 6.310) 6.315 5.769 ( 0.000 0.268 6.310) 6.315 5.809 ( 0.000 -1.388 6.789) 6.929 5.809 ( 0.000 1.388 6.789) 6.929 5.948 ( 0.000 -1.251 5.261) 5.408 5.948 ( 0.000 1.251 5.261) 5.408 6.020 ( 0.000 -3.419 3.045) 4.579 6.020 ( 0.000 3.419 3.045) 4.579 6.170 ( 0.000 -0.520 5.289) 5.315 6.170 ( 0.000 0.520 5.289) 5.315 6.395 ( 0.000 -1.275 -1.857) 2.253 6.395 ( 0.000 1.275 -1.857) 2.253 6.575 ( 0.000 -0.741 1.678) 1.834 6.575 ( 0.000 0.741 1.678) 1.834 6.717 ( 0.000 -0.200 2.078) 2.087 6.717 ( 0.000 0.200 2.078) 2.087 6.724 ( 0.000 -0.039 3.983) 3.983 6.724 ( 0.000 0.039 3.983) 3.983 6.788 ( 0.000 -0.305 -0.026) 0.306 6.788 ( 0.000 0.305 -0.026) 0.306 6.876 ( 0.000 -0.143 0.493) 0.514 6.876 ( 0.000 0.143 0.493) 0.514 7.535 ( 0.000 -3.871 -4.253) 5.751 7.535 ( 0.000 3.871 -4.253) 5.751 7.611 ( 0.000 -1.735 -1.410) 2.236 7.611 ( 0.000 1.735 -1.410) 2.236 7.783 ( 0.000 -2.382 -0.521) 2.439 7.783 ( 0.000 2.382 -0.521) 2.439 12.375 ( 0.000 -0.102 -3.065) 3.066 12.375 ( 0.000 0.102 -3.065) 3.066 12.622 ( 0.000 -0.422 -3.379) 3.405 12.622 ( 0.000 0.422 -3.379) 3.405 12.989 ( 0.000 -0.119 2.064) 2.068 12.989 ( 0.000 0.119 2.064) 2.068 13.312 ( 0.000 -0.613 2.331) 2.411 13.312 ( 0.000 0.613 2.331) 2.411 13.748 ( 0.000 -0.774 2.616) 2.728 13.748 ( 0.000 0.774 2.616) 2.728 14.002 ( 0.000 -0.591 -4.215) 4.256 14.002 ( 0.000 0.591 -4.215) 4.256 14.209 ( 0.000 -0.240 7.004) 7.008 14.209 ( 0.000 0.240 7.004) 7.008 14.491 ( 0.000 -0.638 -2.630) 2.706 14.491 ( 0.000 0.638 -2.630) 2.706 16.952 ( 0.000 -0.568 -0.334) 0.658 16.952 ( 0.000 0.568 -0.334) 0.658 17.166 ( 0.000 -0.100 0.271) 0.289 17.166 ( 0.000 0.100 0.271) 0.289 17.259 ( 0.000 -1.392 0.909) 1.662 17.259 ( 0.000 1.392 0.909) 1.662 17.432 ( 0.000 -0.579 -2.202) 2.277 17.432 ( 0.000 0.579 -2.202) 2.277 17.533 ( 0.000 -0.637 -1.524) 1.652 17.533 ( 0.000 0.637 -1.524) 1.652 17.585 ( 0.000 -0.398 0.707) 0.811 17.585 ( 0.000 0.398 0.707) 0.811 17.973 ( 0.000 -0.772 -0.612) 0.985 17.973 ( 0.000 0.772 -0.612) 0.985 18.206 ( 0.000 -1.008 1.574) 1.870 18.206 ( 0.000 1.008 1.574) 1.870 18.854 ( 0.000 -1.532 0.482) 1.606 18.854 ( 0.000 1.532 0.482) 1.606 18.927 ( 0.000 -1.139 1.913) 2.226 18.927 ( 0.000 1.139 1.913) 2.226 19.114 ( 0.000 -0.389 -2.635) 2.664 19.114 ( 0.000 0.389 -2.635) 2.664 19.169 ( 0.000 -0.500 -2.790) 2.834 19.169 ( 0.000 0.500 -2.790) 2.834 28.305 ( 0.000 -0.011 -0.150) 0.151 28.305 ( 0.000 0.011 -0.150) 0.151 28.323 ( 0.000 -0.464 0.086) 0.472 28.323 ( 0.000 0.464 0.086) 0.472 28.364 ( 0.000 -0.115 -0.684) 0.694 28.364 ( 0.000 0.115 -0.684) 0.694 28.432 ( 0.000 -1.247 -0.876) 1.524 28.432 ( 0.000 1.247 -0.876) 1.524 31.143 ( 0.000 -3.247 -3.802) 5.000 31.143 ( 0.000 3.247 -3.802) 5.000 31.399 ( 0.000 -1.631 -0.023) 1.631 31.399 ( 0.000 1.631 -0.023) 1.631 31.444 ( 0.000 -1.517 -1.721) 2.294 31.444 ( 0.000 1.517 -1.721) 2.294 31.717 ( 0.000 -3.952 2.791) 4.839 31.717 ( 0.000 3.952 2.791) 4.839 31.852 ( 0.000 -1.885 -2.777) 3.356 31.852 ( 0.000 1.885 -2.777) 3.356 32.039 ( 0.000 -1.031 6.129) 6.215 32.039 ( 0.000 1.031 6.129) 6.215 32.234 ( 0.000 -7.251 -9.140) 11.667 32.234 ( 0.000 7.251 -9.140) 11.667 32.455 ( 0.000 -2.358 10.231) 10.499 32.455 ( 0.000 2.358 10.231) 10.499 32.731 ( 0.000 -3.367 -3.123) 4.593 32.731 ( 0.000 3.367 -3.123) 4.593 32.981 ( 0.000 -9.865 2.506) 10.178 32.981 ( 0.000 9.865 2.506) 10.178 34.309 ( 0.000 -0.335 2.436) 2.459 34.309 ( 0.000 0.335 2.436) 2.459 34.758 ( 0.000 -15.022 11.220) 18.749 34.758 ( 0.000 15.022 11.220) 18.749 ======================= Grid point 87 (35/45) ======================= q-point: ( 0.20 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.511 ( 2.742 -3.611 14.022) 14.737 1.511 ( 2.742 3.611 14.022) 14.737 1.799 ( 1.305 -2.501 7.966) 8.451 1.799 ( 1.305 2.501 7.966) 8.451 1.894 ( 0.019 -1.098 3.868) 4.020 1.894 ( 0.019 1.098 3.868) 4.020 1.954 ( -2.612 -1.407 1.464) 3.308 1.954 ( -2.612 1.407 1.464) 3.308 2.090 ( 0.615 -3.677 3.449) 5.078 2.090 ( 0.615 3.677 3.449) 5.078 2.221 ( 0.676 -0.879 9.438) 9.503 2.221 ( 0.676 0.879 9.438) 9.503 2.260 ( -4.471 -3.519 4.729) 7.398 2.260 ( -4.471 3.519 4.729) 7.398 2.416 ( 2.740 -0.215 -0.264) 2.761 2.416 ( 2.740 0.215 -0.264) 2.761 2.559 ( -1.126 -3.831 5.021) 6.415 2.559 ( -1.126 3.831 5.021) 6.415 2.753 ( -4.392 -2.224 -1.522) 5.153 2.753 ( -4.392 2.224 -1.522) 5.153 2.972 ( 4.196 -3.318 7.976) 9.604 2.972 ( 4.196 3.318 7.976) 9.604 3.224 ( -0.587 -1.453 1.763) 2.358 3.224 ( -0.587 1.453 1.763) 2.358 3.650 ( 9.932 -0.441 -1.920) 10.126 3.650 ( 9.932 0.441 -1.920) 10.126 3.954 ( -1.482 -3.732 -6.826) 7.920 3.954 ( -1.482 3.732 -6.826) 7.920 4.251 ( 1.975 -0.874 -1.451) 2.602 4.251 ( 1.975 0.874 -1.451) 2.602 4.325 ( -5.656 -3.453 -9.523) 11.602 4.325 ( -5.656 3.453 -9.523) 11.602 4.706 ( 7.445 -1.080 -11.516) 13.756 4.706 ( 7.445 1.080 -11.516) 13.756 4.857 ( 5.987 -3.150 -13.105) 14.748 4.857 ( 5.987 3.150 -13.105) 14.748 5.127 ( -0.677 -1.045 2.115) 2.454 5.127 ( -0.677 1.045 2.115) 2.454 5.231 ( -0.472 -0.510 4.230) 4.287 5.231 ( -0.472 0.510 4.230) 4.287 5.401 ( 2.162 -0.725 2.722) 3.551 5.401 ( 2.162 0.725 2.722) 3.551 5.630 ( 1.139 -0.744 9.375) 9.474 5.630 ( 1.139 0.744 9.375) 9.474 5.726 ( -2.854 -0.607 5.238) 5.996 5.726 ( -2.854 0.607 5.238) 5.996 5.818 ( -0.265 -0.196 5.570) 5.579 5.818 ( -0.265 0.196 5.570) 5.579 5.903 ( -1.838 -0.646 3.635) 4.124 5.903 ( -1.838 0.646 3.635) 4.124 6.053 ( 1.023 -3.054 4.841) 5.815 6.053 ( 1.023 3.054 4.841) 5.815 6.144 ( -2.664 -0.453 7.350) 7.831 6.144 ( -2.664 0.453 7.350) 7.831 6.269 ( -9.346 -1.527 -3.759) 10.188 6.269 ( -9.346 1.527 -3.759) 10.188 6.599 ( 1.428 -0.584 1.667) 2.272 6.599 ( 1.428 0.584 1.667) 2.272 6.695 ( -1.540 -0.658 2.652) 3.136 6.695 ( -1.540 0.658 2.652) 3.136 6.769 ( 3.444 -0.266 1.320) 3.698 6.769 ( 3.444 0.266 1.320) 3.698 6.832 ( 3.155 -0.440 1.241) 3.419 6.832 ( 3.155 0.440 1.241) 3.419 6.898 ( 2.264 -0.305 1.485) 2.725 6.898 ( 2.264 0.305 1.485) 2.725 7.398 ( -8.482 -2.218 -3.221) 9.340 7.398 ( -8.482 2.218 -3.221) 9.340 7.680 ( 2.709 -1.564 -1.676) 3.549 7.680 ( 2.709 1.564 -1.676) 3.549 7.779 ( -0.530 -1.811 -0.773) 2.040 7.779 ( -0.530 1.811 -0.773) 2.040 12.395 ( 1.824 -0.084 -3.102) 3.599 12.395 ( 1.824 0.084 -3.102) 3.599 12.592 ( -2.608 -0.299 -3.264) 4.188 12.592 ( -2.608 0.299 -3.264) 4.188 13.007 ( 1.685 -0.191 1.619) 2.344 13.007 ( 1.685 0.191 1.619) 2.344 13.251 ( -4.784 -0.208 1.633) 5.059 13.251 ( -4.784 0.208 1.633) 5.059 13.794 ( 3.633 -0.283 2.954) 4.691 13.794 ( 3.633 0.283 2.954) 4.691 13.997 ( -0.855 -0.602 -1.547) 1.868 13.997 ( -0.855 0.602 -1.547) 1.868 14.232 ( 2.290 -0.091 4.336) 4.904 14.232 ( 2.290 0.091 4.336) 4.904 14.469 ( -1.982 -0.491 -2.189) 2.993 14.469 ( -1.982 0.491 -2.189) 2.993 16.976 ( 2.105 -0.650 -0.206) 2.213 16.976 ( 2.105 0.650 -0.206) 2.213 17.159 ( -0.990 -0.438 0.459) 1.176 17.159 ( -0.990 0.438 0.459) 1.176 17.273 ( 1.434 -1.613 0.778) 2.294 17.273 ( 1.434 1.613 0.778) 2.294 17.423 ( -0.576 -0.619 -2.177) 2.336 17.423 ( -0.576 0.619 -2.177) 2.336 17.529 ( -0.412 -0.937 -1.652) 1.943 17.529 ( -0.412 0.937 -1.652) 1.943 17.551 ( -2.868 -0.572 -0.004) 2.925 17.551 ( -2.868 0.572 -0.004) 2.925 17.989 ( 1.374 -0.663 -0.206) 1.539 17.989 ( 1.374 0.663 -0.206) 1.539 18.184 ( -1.859 -0.956 1.524) 2.587 18.184 ( -1.859 0.956 1.524) 2.587 18.870 ( 1.405 -1.708 0.576) 2.285 18.870 ( 1.405 1.708 0.576) 2.285 18.930 ( 0.188 -0.629 1.912) 2.022 18.930 ( 0.188 0.629 1.912) 2.022 19.104 ( -0.800 -1.083 -2.240) 2.614 19.104 ( -0.800 1.083 -2.240) 2.614 19.155 ( -1.243 -0.393 -2.587) 2.897 19.155 ( -1.243 0.393 -2.587) 2.897 28.284 ( -0.880 -0.500 0.015) 1.012 28.284 ( -0.880 0.500 0.015) 1.012 28.326 ( -0.998 -0.348 -0.140) 1.066 28.326 ( -0.998 0.348 -0.140) 1.066 28.377 ( 1.651 -0.301 -0.528) 1.759 28.377 ( 1.651 0.301 -0.528) 1.759 28.440 ( 0.473 -0.839 -0.921) 1.333 28.440 ( 0.473 0.839 -0.921) 1.333 31.165 ( 2.368 -3.107 -3.580) 5.299 31.165 ( 2.368 3.107 -3.580) 5.299 31.410 ( -0.641 -2.035 -1.567) 2.647 31.410 ( -0.641 2.035 -1.567) 2.647 31.517 ( 7.052 -1.809 0.999) 7.348 31.517 ( 7.052 1.809 0.999) 7.348 31.666 ( -2.513 -2.769 2.138) 4.308 31.666 ( -2.513 2.769 2.138) 4.308 31.918 ( 3.035 -1.409 -1.376) 3.618 31.918 ( 3.035 1.409 -1.376) 3.618 32.054 ( 1.085 -0.969 -1.866) 2.366 32.054 ( 1.085 0.969 -1.866) 2.366 32.220 ( -2.273 -2.477 -2.623) 4.264 32.220 ( -2.273 2.477 -2.623) 4.264 32.396 ( -2.030 -1.997 6.475) 7.073 32.396 ( -2.030 1.997 6.475) 7.073 32.765 ( 1.364 -4.026 0.360) 4.266 32.765 ( 1.364 4.026 0.360) 4.266 32.979 ( 0.274 -10.111 -0.650) 10.136 32.979 ( 0.274 10.111 -0.650) 10.136 34.313 ( 0.462 -5.898 4.249) 7.284 34.313 ( 0.462 5.898 4.249) 7.284 34.695 ( -5.340 -13.436 10.994) 18.164 34.695 ( -5.340 13.436 10.994) 18.164 ======================= Grid point 89 (36/45) ======================= q-point: ( 0.40 -0.50 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( 4.121 -0.331 9.520) 10.379 1.592 ( 4.121 0.331 9.520) 10.379 1.790 ( -2.869 -2.684 7.531) 8.495 1.790 ( -2.869 2.684 7.531) 8.495 1.878 ( -1.436 -0.547 6.120) 6.310 1.878 ( -1.436 0.547 6.120) 6.310 1.912 ( -0.047 -1.471 1.672) 2.228 1.912 ( -0.047 1.471 1.672) 2.228 2.109 ( 0.804 -4.522 3.455) 5.747 2.109 ( 0.804 4.522 3.455) 5.747 2.155 ( -2.509 -4.898 5.574) 7.833 2.155 ( -2.509 4.898 5.574) 7.833 2.306 ( 4.549 -2.142 6.057) 7.872 2.306 ( 4.549 2.142 6.057) 7.872 2.473 ( 2.022 -0.489 -0.971) 2.296 2.473 ( 2.022 0.489 -0.971) 2.296 2.536 ( -0.523 -2.756 1.000) 2.978 2.536 ( -0.523 2.756 1.000) 2.978 2.615 ( -7.175 -0.492 0.673) 7.223 2.615 ( -7.175 0.492 0.673) 7.223 3.082 ( 5.320 -1.305 7.938) 9.645 3.082 ( 5.320 1.305 7.938) 9.645 3.182 ( -3.193 -0.626 6.033) 6.855 3.182 ( -3.193 0.626 6.033) 6.855 3.872 ( 9.400 -0.169 -5.431) 10.857 3.872 ( 9.400 0.169 -5.431) 10.857 3.989 ( 1.737 -3.034 -11.474) 11.995 3.989 ( 1.737 3.034 -11.474) 11.995 4.171 ( -3.983 -1.394 -6.761) 7.970 4.171 ( -3.983 1.394 -6.761) 7.970 4.248 ( -4.116 -4.895 -11.959) 13.561 4.248 ( -4.116 4.895 -11.959) 13.561 4.881 ( 8.624 -0.265 -5.984) 10.500 4.881 ( 8.624 0.265 -5.984) 10.500 4.992 ( 2.980 -2.081 -2.957) 4.686 4.992 ( 2.980 2.081 -2.957) 4.686 5.113 ( -0.344 -1.786 3.687) 4.111 5.113 ( -0.344 1.786 3.687) 4.111 5.171 ( -3.652 -0.073 2.890) 4.658 5.171 ( -3.652 0.073 2.890) 4.658 5.493 ( 5.272 -1.014 3.433) 6.372 5.493 ( 5.272 1.014 3.433) 6.372 5.601 ( -4.030 -1.730 8.271) 9.362 5.601 ( -4.030 1.730 8.271) 9.362 5.704 ( 0.489 -0.854 1.680) 1.947 5.704 ( 0.489 0.854 1.680) 1.947 5.791 ( -1.148 -1.800 3.701) 4.273 5.791 ( -1.148 1.800 3.701) 4.273 5.917 ( 2.976 -1.048 2.120) 3.802 5.917 ( 2.976 1.048 2.120) 3.802 6.017 ( -5.476 -0.540 3.737) 6.652 6.017 ( -5.476 0.540 3.737) 6.652 6.073 ( -1.157 -1.970 7.305) 7.654 6.073 ( -1.157 1.970 7.305) 7.654 6.115 ( -4.126 -1.510 0.831) 4.472 6.115 ( -4.126 1.510 0.831) 4.472 6.626 ( 1.334 -0.807 1.611) 2.242 6.626 ( 1.334 0.807 1.611) 2.242 6.659 ( -1.732 -0.875 1.809) 2.653 6.659 ( -1.732 0.875 1.809) 2.653 6.819 ( 1.346 -0.511 3.328) 3.626 6.819 ( 1.346 0.511 3.328) 3.626 6.870 ( 0.019 -0.662 1.986) 2.093 6.870 ( 0.019 0.662 1.986) 2.093 7.022 ( 8.780 -0.083 -0.846) 8.821 7.022 ( 8.780 0.083 -0.846) 8.821 7.214 ( -8.880 -0.950 -2.492) 9.272 7.214 ( -8.880 0.950 -2.492) 9.272 7.717 ( 1.113 -1.103 -0.799) 1.759 7.717 ( 1.113 1.103 -0.799) 1.759 7.759 ( -1.108 -0.535 -1.171) 1.699 7.759 ( -1.108 0.535 -1.171) 1.699 12.449 ( 3.105 -0.095 -3.146) 4.422 12.449 ( 3.105 0.095 -3.146) 4.422 12.523 ( -3.535 -0.119 -3.182) 4.757 12.523 ( -3.535 0.119 -3.182) 4.757 13.059 ( 3.193 -0.197 0.903) 3.324 13.059 ( 3.193 0.197 0.903) 3.324 13.145 ( -4.729 -0.077 0.836) 4.803 13.145 ( -4.729 0.077 0.836) 4.803 13.875 ( 3.588 -0.249 3.036) 4.706 13.875 ( 3.588 0.249 3.036) 4.706 13.958 ( -2.549 -0.492 2.109) 3.345 13.958 ( -2.549 0.492 2.109) 3.345 14.299 ( 3.271 -0.095 0.255) 3.283 14.299 ( 3.271 0.095 0.255) 3.283 14.413 ( -2.836 -0.140 -0.840) 2.962 14.413 ( -2.836 0.140 -0.840) 2.962 17.034 ( 3.136 -0.772 0.364) 3.250 17.034 ( 3.136 0.772 0.364) 3.250 17.114 ( -2.954 -0.447 0.438) 3.019 17.114 ( -2.954 0.447 0.438) 3.019 17.316 ( 2.024 -1.821 0.216) 2.731 17.316 ( 2.024 1.821 0.216) 2.731 17.418 ( 0.049 -0.624 -0.578) 0.852 17.418 ( 0.049 0.624 -0.578) 0.852 17.482 ( -2.669 -0.696 -1.444) 3.114 17.482 ( -2.669 0.696 -1.444) 3.114 17.521 ( -0.334 -0.803 -2.763) 2.897 17.521 ( -0.334 0.803 -2.763) 2.897 18.020 ( 1.171 -1.466 0.495) 1.941 18.020 ( 1.171 1.466 0.495) 1.941 18.143 ( -1.460 -1.311 1.300) 2.354 18.143 ( -1.460 1.311 1.300) 2.354 18.903 ( 1.327 -1.713 1.208) 2.481 18.903 ( 1.327 1.713 1.208) 2.481 18.930 ( -0.243 -1.221 1.475) 1.930 18.930 ( -0.243 1.221 1.475) 1.930 19.090 ( -0.333 -1.517 -1.609) 2.236 19.090 ( -0.333 1.517 -1.609) 2.236 19.127 ( -0.986 -1.224 -2.411) 2.878 19.127 ( -0.986 1.224 -2.411) 2.878 28.277 ( 0.147 -0.799 -0.017) 0.812 28.277 ( 0.147 0.799 -0.017) 0.812 28.300 ( -1.061 -0.793 0.084) 1.328 28.300 ( -1.061 0.793 0.084) 1.328 28.413 ( 1.338 -0.349 -0.820) 1.607 28.413 ( 1.338 0.349 -0.820) 1.607 28.442 ( -0.276 -0.400 -0.732) 0.879 28.442 ( -0.276 0.400 -0.732) 0.879 31.241 ( 4.199 -3.411 -3.076) 6.223 31.241 ( 4.199 3.411 -3.076) 6.223 31.360 ( -3.596 -3.792 -0.520) 5.252 31.360 ( -3.596 3.792 -0.520) 5.252 31.663 ( 3.245 -1.337 0.855) 3.613 31.663 ( 3.245 1.337 0.855) 3.613 31.677 ( 4.196 -0.447 1.317) 4.421 31.677 ( 4.196 0.447 1.317) 4.421 31.908 ( -0.555 -2.989 -3.286) 4.477 31.908 ( -0.555 2.989 -3.286) 4.477 32.008 ( -6.923 -2.496 -1.524) 7.516 32.008 ( -6.923 2.496 -1.524) 7.516 32.244 ( 6.180 -2.345 1.505) 6.779 32.244 ( 6.180 2.345 1.505) 6.779 32.370 ( -3.019 -2.847 3.775) 5.610 32.370 ( -3.019 2.847 3.775) 5.610 32.782 ( 0.786 -6.203 -2.881) 6.885 32.782 ( 0.786 6.203 -2.881) 6.885 32.991 ( 0.321 -10.499 -2.321) 10.757 32.991 ( 0.321 10.499 -2.321) 10.757 34.330 ( 0.911 -14.344 8.447) 16.671 34.330 ( 0.911 14.344 8.447) 16.671 34.579 ( -4.078 -12.785 9.560) 16.477 34.579 ( -4.078 12.785 9.560) 16.477 ======================= Grid point 100 (37/45) ======================= q-point: ( 0.00 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 45 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.701 ( 0.000 0.000 10.631) 10.631 1.740 ( 0.000 0.000 5.159) 5.159 1.865 ( 0.000 0.000 4.153) 4.153 1.914 ( 0.000 0.000 -0.783) 0.783 1.958 ( 0.000 0.000 1.712) 1.712 1.993 ( 0.000 0.000 -1.703) 1.703 1.999 ( 0.000 0.000 1.761) 1.761 2.021 ( 0.000 0.000 -0.443) 0.443 2.072 ( 0.000 0.000 8.406) 8.406 2.230 ( 0.000 0.000 -1.878) 1.878 2.286 ( 0.000 0.000 -2.435) 2.435 2.291 ( 0.000 0.000 -1.317) 1.317 2.362 ( 0.000 0.000 1.485) 1.485 2.365 ( 0.000 0.000 0.915) 0.915 2.524 ( 0.000 0.000 11.613) 11.613 2.549 ( 0.000 0.000 6.360) 6.360 2.657 ( 0.000 0.000 0.879) 0.879 2.661 ( 0.000 0.000 -3.542) 3.542 2.683 ( 0.000 0.000 6.043) 6.043 2.815 ( 0.000 0.000 -4.137) 4.137 3.002 ( 0.000 0.000 -0.917) 0.917 3.007 ( 0.000 0.000 1.116) 1.116 3.119 ( 0.000 0.000 3.704) 3.704 3.222 ( 0.000 0.000 -4.005) 4.005 3.538 ( 0.000 0.000 4.445) 4.445 3.576 ( 0.000 0.000 2.321) 2.321 3.939 ( 0.000 0.000 2.168) 2.168 4.042 ( 0.000 0.000 -4.073) 4.073 4.183 ( 0.000 0.000 -12.131) 12.131 4.183 ( 0.000 0.000 4.775) 4.775 4.218 ( 0.000 0.000 -13.447) 13.447 4.252 ( 0.000 0.000 -0.929) 0.929 4.348 ( 0.000 0.000 0.606) 0.606 4.391 ( 0.000 0.000 -8.246) 8.246 4.395 ( 0.000 0.000 -3.070) 3.070 4.500 ( 0.000 0.000 -14.990) 14.990 5.147 ( 0.000 0.000 1.195) 1.195 5.173 ( 0.000 0.000 -1.196) 1.196 5.245 ( 0.000 0.000 1.468) 1.468 5.255 ( 0.000 0.000 0.590) 0.590 5.498 ( 0.000 0.000 4.753) 4.753 5.517 ( 0.000 0.000 3.171) 3.171 5.768 ( 0.000 0.000 5.632) 5.632 5.790 ( 0.000 0.000 5.137) 5.137 5.853 ( 0.000 0.000 0.143) 0.143 5.854 ( 0.000 0.000 1.541) 1.541 5.888 ( 0.000 0.000 3.715) 3.715 5.932 ( 0.000 0.000 0.742) 0.742 6.043 ( 0.000 0.000 4.171) 4.171 6.054 ( 0.000 0.000 6.107) 6.107 6.067 ( 0.000 0.000 1.966) 1.966 6.099 ( 0.000 0.000 0.266) 0.266 6.226 ( 0.000 0.000 2.131) 2.131 6.249 ( 0.000 0.000 -0.039) 0.039 6.418 ( 0.000 0.000 4.208) 4.208 6.448 ( 0.000 0.000 1.851) 1.851 6.594 ( 0.000 0.000 2.199) 2.199 6.629 ( 0.000 0.000 2.362) 2.362 6.649 ( 0.000 0.000 -2.850) 2.850 6.692 ( 0.000 0.000 -3.058) 3.058 6.757 ( 0.000 0.000 -1.425) 1.425 6.774 ( 0.000 0.000 -2.613) 2.613 6.801 ( 0.000 0.000 0.204) 0.204 6.805 ( 0.000 0.000 0.054) 0.054 6.978 ( 0.000 0.000 11.383) 11.383 7.012 ( 0.000 0.000 12.432) 12.432 7.255 ( 0.000 0.000 -10.360) 10.360 7.367 ( 0.000 0.000 -16.516) 16.516 7.639 ( 0.000 0.000 1.578) 1.578 7.643 ( 0.000 0.000 1.134) 1.134 7.765 ( 0.000 0.000 0.928) 0.928 7.793 ( 0.000 0.000 -2.066) 2.066 12.332 ( 0.000 0.000 -0.937) 0.937 12.333 ( 0.000 0.000 -1.045) 1.045 12.567 ( 0.000 0.000 -0.868) 0.868 12.575 ( 0.000 0.000 -1.621) 1.621 13.017 ( 0.000 0.000 0.708) 0.708 13.018 ( 0.000 0.000 0.585) 0.585 13.339 ( 0.000 0.000 1.166) 1.166 13.347 ( 0.000 0.000 0.316) 0.316 13.801 ( 0.000 0.000 3.799) 3.799 13.829 ( 0.000 0.000 3.152) 3.152 13.899 ( 0.000 0.000 -4.000) 4.000 13.923 ( 0.000 0.000 -4.312) 4.312 14.318 ( 0.000 0.000 3.648) 3.648 14.327 ( 0.000 0.000 3.203) 3.203 14.438 ( 0.000 0.000 -1.190) 1.190 14.453 ( 0.000 0.000 -2.171) 2.171 16.943 ( 0.000 0.000 0.369) 0.369 16.953 ( 0.000 0.000 -0.573) 0.573 17.170 ( 0.000 0.000 0.681) 0.681 17.175 ( 0.000 0.000 0.433) 0.433 17.320 ( 0.000 0.000 -1.267) 1.267 17.321 ( 0.000 0.000 -1.205) 1.205 17.336 ( 0.000 0.000 2.811) 2.811 17.386 ( 0.000 0.000 -1.754) 1.754 17.480 ( 0.000 0.000 -0.605) 0.605 17.488 ( 0.000 0.000 -1.110) 1.110 17.598 ( 0.000 0.000 0.570) 0.570 17.602 ( 0.000 0.000 0.072) 0.072 17.968 ( 0.000 0.000 0.408) 0.408 17.982 ( 0.000 0.000 -0.988) 0.988 18.217 ( 0.000 0.000 1.083) 1.083 18.232 ( 0.000 0.000 -0.384) 0.384 18.828 ( 0.000 0.000 1.144) 1.144 18.847 ( 0.000 0.000 -0.498) 0.498 18.992 ( 0.000 0.000 2.647) 2.647 19.021 ( 0.000 0.000 2.911) 2.911 19.053 ( 0.000 0.000 -3.048) 3.048 19.062 ( 0.000 0.000 -0.971) 0.971 19.120 ( 0.000 0.000 -1.400) 1.400 19.134 ( 0.000 0.000 -2.660) 2.660 28.305 ( 0.000 0.000 0.231) 0.231 28.310 ( 0.000 0.000 -0.052) 0.052 28.324 ( 0.000 0.000 0.778) 0.778 28.338 ( 0.000 0.000 -0.381) 0.381 28.341 ( 0.000 0.000 -0.337) 0.337 28.348 ( 0.000 0.000 -0.669) 0.669 28.405 ( 0.000 0.000 0.813) 0.813 28.430 ( 0.000 0.000 -1.495) 1.495 31.045 ( 0.000 0.000 0.827) 0.827 31.097 ( 0.000 0.000 -3.999) 3.999 31.401 ( 0.000 0.000 1.667) 1.667 31.426 ( 0.000 0.000 -0.589) 0.589 31.434 ( 0.000 0.000 0.814) 0.814 31.482 ( 0.000 0.000 -3.771) 3.771 31.628 ( 0.000 0.000 5.501) 5.501 31.761 ( 0.000 0.000 -6.912) 6.912 31.839 ( 0.000 0.000 1.159) 1.159 31.873 ( 0.000 0.000 -0.957) 0.957 32.019 ( 0.000 0.000 4.872) 4.872 32.129 ( 0.000 0.000 5.809) 5.809 32.180 ( 0.000 0.000 2.848) 2.848 32.193 ( 0.000 0.000 -10.228) 10.228 32.503 ( 0.000 0.000 4.121) 4.121 32.524 ( 0.000 0.000 2.168) 2.168 32.547 ( 0.000 0.000 -0.406) 0.406 32.649 ( 0.000 0.000 -8.089) 8.089 33.073 ( 0.000 0.000 8.574) 8.574 33.246 ( 0.000 0.000 -7.868) 7.868 34.195 ( 0.000 0.000 6.357) 6.357 34.239 ( 0.000 0.000 1.444) 1.444 34.913 ( 0.000 0.000 12.517) 12.517 35.130 ( 0.000 0.000 -7.648) 7.648 ======================= Grid point 101 (38/45) ======================= q-point: ( 0.20 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.728 ( -1.188 0.000 4.528) 4.682 1.732 ( 2.332 0.000 6.881) 7.266 1.863 ( 0.284 0.000 3.147) 3.160 1.889 ( -2.344 0.000 0.712) 2.450 1.947 ( -0.858 0.000 1.416) 1.655 1.949 ( -2.483 0.000 2.343) 3.414 1.981 ( -1.091 0.000 0.816) 1.362 2.033 ( 0.847 0.000 -1.052) 1.351 2.101 ( 2.160 0.000 8.668) 8.933 2.254 ( 1.206 0.000 2.072) 2.397 2.284 ( 0.000 0.000 -2.830) 2.830 2.330 ( 2.685 0.000 -2.257) 3.507 2.360 ( -0.205 0.000 1.177) 1.195 2.367 ( 0.330 0.000 0.261) 0.421 2.469 ( -5.237 0.000 4.628) 6.988 2.483 ( -2.886 0.000 8.584) 9.056 2.607 ( -3.877 0.000 4.086) 5.633 2.617 ( -3.411 0.000 -3.124) 4.626 2.662 ( -2.012 0.000 3.334) 3.894 2.767 ( -4.425 0.000 -3.461) 5.618 3.069 ( 4.629 0.000 0.992) 4.734 3.107 ( 7.182 0.000 2.062) 7.472 3.148 ( 2.494 0.000 2.223) 3.341 3.243 ( 2.151 0.000 -3.084) 3.760 3.626 ( 7.286 0.000 0.600) 7.311 3.634 ( 4.764 0.000 0.138) 4.766 3.797 ( -7.663 0.000 1.739) 7.857 3.951 ( -7.682 0.000 -10.686) 13.161 4.027 ( -7.564 0.000 2.355) 7.922 4.133 ( -1.036 0.000 -4.905) 5.013 4.178 ( -3.291 0.000 -6.603) 7.378 4.199 ( -5.185 0.000 -9.607) 10.917 4.503 ( 11.494 0.000 -3.119) 11.910 4.529 ( 10.999 0.000 -5.475) 12.286 4.643 ( 14.270 0.000 -3.260) 14.638 4.671 ( 11.527 0.000 -6.605) 13.285 5.160 ( 1.593 0.000 1.166) 1.974 5.176 ( 0.756 0.000 -0.343) 0.831 5.283 ( 2.322 0.000 2.226) 3.217 5.299 ( 2.665 0.000 0.982) 2.840 5.470 ( -1.834 0.000 4.233) 4.613 5.493 ( -1.529 0.000 2.330) 2.787 5.760 ( -0.690 0.000 4.026) 4.085 5.781 ( -1.258 0.000 2.595) 2.884 5.809 ( -3.585 0.000 3.604) 5.084 5.829 ( -1.794 0.000 1.421) 2.288 5.898 ( 0.451 0.000 2.667) 2.705 5.916 ( -2.452 0.000 2.926) 3.817 5.971 ( -2.548 0.000 1.383) 2.899 5.982 ( -3.458 0.000 1.833) 3.914 6.105 ( -0.145 0.000 3.425) 3.428 6.120 ( -2.134 0.000 -0.341) 2.161 6.216 ( -0.970 0.000 3.827) 3.948 6.236 ( -1.714 0.000 0.601) 1.816 6.330 ( -4.533 0.000 5.131) 6.847 6.339 ( -6.269 0.000 4.341) 7.625 6.622 ( 1.120 0.000 1.970) 2.266 6.637 ( -0.180 0.000 1.136) 1.150 6.676 ( 1.282 0.000 -0.873) 1.551 6.689 ( -0.404 0.000 -1.669) 1.717 6.787 ( 3.657 0.000 -1.737) 4.049 6.788 ( 3.007 0.000 -2.005) 3.614 6.847 ( 3.115 0.000 -0.025) 3.115 6.850 ( 2.874 0.000 -0.005) 2.874 6.989 ( 0.449 0.000 9.065) 9.076 7.012 ( -0.467 0.000 10.605) 10.615 7.199 ( -4.205 0.000 -9.329) 10.233 7.278 ( -6.588 0.000 -12.627) 14.242 7.665 ( 1.549 0.000 0.801) 1.744 7.676 ( 2.364 0.000 -0.509) 2.418 7.759 ( -0.506 0.000 0.427) 0.663 7.777 ( -1.458 0.000 -1.622) 2.180 12.351 ( 1.776 0.000 -0.966) 2.021 12.351 ( 1.739 0.000 -1.039) 2.025 12.540 ( -2.365 0.000 -0.903) 2.531 12.546 ( -2.523 0.000 -1.464) 2.917 13.028 ( 1.124 0.000 0.638) 1.292 13.031 ( 1.209 0.000 0.388) 1.270 13.272 ( -5.304 0.000 0.608) 5.338 13.274 ( -5.622 0.000 0.371) 5.634 13.854 ( 3.855 0.000 3.323) 5.090 13.870 ( 3.126 0.000 3.522) 4.709 13.925 ( 2.101 0.000 -3.275) 3.892 13.947 ( 1.878 0.000 -3.593) 4.054 14.321 ( 0.401 0.000 2.878) 2.906 14.322 ( -0.266 0.000 2.895) 2.908 14.423 ( -1.369 0.000 -1.174) 1.803 14.431 ( -1.912 0.000 -1.869) 2.674 16.970 ( 2.525 0.000 0.552) 2.585 16.981 ( 2.594 0.000 -0.496) 2.641 17.168 ( -0.455 0.000 0.598) 0.752 17.173 ( -0.671 0.000 0.481) 0.825 17.326 ( -0.047 0.000 1.208) 1.209 17.333 ( 1.189 0.000 -0.962) 1.530 17.343 ( 1.490 0.000 -0.000) 1.490 17.376 ( -0.438 0.000 -1.460) 1.524 17.457 ( -2.008 0.000 -0.842) 2.177 17.468 ( -1.716 0.000 -1.451) 2.247 17.558 ( -3.325 0.000 0.520) 3.366 17.564 ( -3.369 0.000 -0.081) 3.369 17.995 ( 2.300 0.000 0.299) 2.319 18.004 ( 1.814 0.000 -0.534) 1.891 18.194 ( -2.030 0.000 1.005) 2.265 18.207 ( -2.156 0.000 -0.321) 2.180 18.848 ( 1.803 0.000 1.404) 2.285 18.872 ( 2.229 0.000 -0.675) 2.329 18.993 ( -0.422 0.000 2.375) 2.412 19.014 ( -0.166 0.000 2.720) 2.725 19.036 ( -1.213 0.000 -1.483) 1.916 19.070 ( 0.208 0.000 -2.389) 2.398 19.114 ( -0.466 0.000 -1.480) 1.552 19.118 ( -1.323 0.000 -2.024) 2.418 28.280 ( -1.023 0.000 0.658) 1.216 28.294 ( -0.649 0.000 -0.442) 0.785 28.319 ( -1.600 0.000 0.319) 1.632 28.330 ( -0.923 0.000 -0.413) 1.011 28.365 ( 1.964 0.000 -0.126) 1.968 28.368 ( 1.957 0.000 -0.276) 1.977 28.417 ( 0.663 0.000 0.369) 0.759 28.434 ( 0.162 0.000 -1.189) 1.200 31.072 ( 2.703 0.000 0.846) 2.832 31.121 ( 2.656 0.000 -3.756) 4.600 31.415 ( -1.712 0.000 1.554) 2.312 31.462 ( 1.035 0.000 -1.758) 2.040 31.511 ( 6.417 0.000 0.100) 6.418 31.530 ( 7.978 0.000 -0.330) 7.985 31.611 ( -0.620 0.000 3.799) 3.849 31.724 ( -3.568 0.000 -6.361) 7.294 31.862 ( -5.517 0.000 5.696) 7.930 31.915 ( 6.412 0.000 1.668) 6.625 31.995 ( 6.398 0.000 -3.078) 7.100 32.017 ( -6.668 0.000 -4.525) 8.058 32.215 ( -3.096 0.000 1.757) 3.560 32.297 ( 3.825 0.000 -1.383) 4.067 32.352 ( -5.740 0.000 5.053) 7.647 32.461 ( 0.374 0.000 -1.606) 1.649 32.637 ( 2.454 0.000 2.917) 3.812 32.738 ( 2.427 0.000 -7.142) 7.543 33.023 ( -3.032 0.000 8.261) 8.800 33.191 ( -4.478 0.000 -7.764) 8.963 34.224 ( 2.417 0.000 6.419) 6.859 34.255 ( 1.323 0.000 2.711) 3.017 34.880 ( -2.548 0.000 10.628) 10.930 35.060 ( -6.035 0.000 -5.872) 8.421 ======================= Grid point 102 (39/45) ======================= q-point: ( 0.40 0.00 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 69 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.708 ( -0.001 0.000 2.774) 2.774 1.737 ( -2.105 0.000 0.013) 2.105 1.873 ( 0.917 0.000 2.920) 3.061 1.875 ( 0.496 0.000 1.313) 1.403 1.928 ( 0.338 0.000 3.215) 3.232 1.933 ( -0.302 0.000 1.093) 1.134 1.969 ( 0.995 0.000 3.129) 3.283 2.028 ( -2.221 0.000 -0.144) 2.226 2.155 ( 2.722 0.000 9.556) 9.936 2.213 ( -3.025 0.000 10.159) 10.600 2.323 ( 2.104 0.000 -1.205) 2.424 2.351 ( -0.589 0.000 1.340) 1.464 2.374 ( 1.047 0.000 -2.756) 2.948 2.385 ( 1.149 0.000 -2.895) 3.115 2.398 ( -1.214 0.000 1.756) 2.134 2.431 ( -2.149 0.000 1.177) 2.450 2.547 ( -0.656 0.000 3.149) 3.217 2.551 ( -1.587 0.000 -0.019) 1.587 2.607 ( -2.122 0.000 1.375) 2.528 2.650 ( -5.497 0.000 -1.156) 5.617 3.157 ( 3.487 0.000 2.625) 4.365 3.193 ( 0.746 0.000 0.503) 0.900 3.239 ( 4.380 0.000 5.191) 6.793 3.284 ( 0.400 0.000 0.905) 0.989 3.682 ( 0.551 0.000 -5.222) 5.251 3.739 ( -2.052 0.000 -8.025) 8.283 3.797 ( 6.771 0.000 -1.440) 6.922 3.863 ( 4.218 0.000 -8.033) 9.073 3.930 ( -2.068 0.000 1.538) 2.577 4.047 ( -7.040 0.000 -2.459) 7.457 4.094 ( -3.868 0.000 -11.630) 12.256 4.095 ( -4.065 0.000 -5.898) 7.163 4.767 ( 11.033 0.000 -2.376) 11.286 4.779 ( 13.467 0.000 -3.207) 13.844 4.872 ( 4.243 0.000 -1.915) 4.655 4.896 ( 7.016 0.000 -3.854) 8.005 5.162 ( -4.126 0.000 2.255) 4.702 5.183 ( -3.177 0.000 -0.054) 3.177 5.258 ( -3.002 0.000 3.332) 4.485 5.263 ( -1.848 0.000 2.552) 3.151 5.524 ( 6.281 0.000 1.654) 6.495 5.538 ( 5.596 0.000 0.411) 5.611 5.700 ( -5.598 0.000 2.243) 6.031 5.707 ( -5.354 0.000 0.871) 5.425 5.757 ( 0.183 0.000 3.369) 3.374 5.790 ( -2.429 0.000 1.126) 2.677 5.866 ( -0.117 0.000 4.472) 4.473 5.894 ( -1.516 0.000 1.850) 2.391 5.934 ( -0.048 0.000 0.981) 0.982 5.954 ( -0.526 0.000 -0.884) 1.028 6.027 ( -3.215 0.000 1.139) 3.411 6.042 ( -3.696 0.000 -0.164) 3.700 6.200 ( -0.452 0.000 6.219) 6.235 6.200 ( -0.638 0.000 6.569) 6.600 6.276 ( -0.897 0.000 6.200) 6.265 6.281 ( -1.184 0.000 6.147) 6.260 6.631 ( 0.536 0.000 0.657) 0.848 6.640 ( 0.477 0.000 -0.196) 0.516 6.664 ( -1.298 0.000 -0.440) 1.370 6.670 ( -1.218 0.000 -1.257) 1.751 6.881 ( 3.090 0.000 0.141) 3.094 6.886 ( 2.841 0.000 0.733) 2.934 6.900 ( 1.753 0.000 0.543) 1.835 6.901 ( 1.649 0.000 1.404) 2.166 7.005 ( 2.396 0.000 1.698) 2.937 7.012 ( 2.358 0.000 2.110) 3.164 7.106 ( -4.418 0.000 -4.971) 6.650 7.137 ( -6.361 0.000 -6.593) 9.161 7.696 ( 1.434 0.000 0.398) 1.489 7.716 ( 1.156 0.000 -1.561) 1.943 7.737 ( -1.849 0.000 -0.047) 1.850 7.744 ( -0.934 0.000 -0.549) 1.083 12.403 ( 2.910 0.000 -1.011) 3.081 12.403 ( 2.977 0.000 -1.047) 3.156 12.477 ( -3.268 0.000 -0.966) 3.408 12.480 ( -3.417 0.000 -1.212) 3.625 13.068 ( 2.673 0.000 0.399) 2.703 13.071 ( 2.579 0.000 0.148) 2.583 13.157 ( -4.797 0.000 0.185) 4.800 13.157 ( -4.786 0.000 0.183) 4.789 13.928 ( 2.656 0.000 1.971) 3.307 13.936 ( 2.635 0.000 2.374) 3.546 13.958 ( 0.396 0.000 -0.658) 0.768 13.973 ( -0.086 0.000 -0.831) 0.836 14.330 ( 1.313 0.000 1.148) 1.745 14.340 ( 1.388 0.000 0.721) 1.564 14.380 ( -2.495 0.000 -0.631) 2.573 14.385 ( -2.020 0.000 -0.594) 2.106 17.043 ( 4.055 0.000 0.924) 4.159 17.054 ( 3.925 0.000 -0.173) 3.929 17.128 ( -3.495 0.000 0.839) 3.594 17.132 ( -3.024 0.000 0.282) 3.037 17.343 ( 1.776 0.000 1.012) 2.044 17.363 ( 1.245 0.000 -0.627) 1.395 17.388 ( 2.131 0.000 -0.626) 2.221 17.395 ( 1.849 0.000 0.067) 1.850 17.408 ( -1.444 0.000 -1.950) 2.426 17.429 ( -1.195 0.000 -2.016) 2.344 17.477 ( -3.896 0.000 0.005) 3.896 17.477 ( -4.326 0.000 -0.210) 4.331 18.047 ( 1.876 0.000 0.213) 1.888 18.048 ( 2.082 0.000 0.203) 2.092 18.147 ( -1.804 0.000 0.621) 1.908 18.155 ( -2.308 0.000 -0.139) 2.312 18.897 ( 2.501 0.000 1.951) 3.172 18.925 ( 1.610 0.000 -0.233) 1.627 18.968 ( -0.661 0.000 1.898) 2.010 19.002 ( -2.031 0.000 -0.817) 2.189 19.026 ( 1.020 0.000 0.680) 1.226 19.055 ( -1.552 0.000 -1.940) 2.484 19.099 ( -0.097 0.000 -1.139) 1.143 19.104 ( -0.400 0.000 -1.451) 1.505 28.271 ( 0.156 0.000 0.750) 0.766 28.285 ( -0.938 0.000 -0.098) 0.943 28.293 ( 0.063 0.000 0.175) 0.187 28.307 ( -0.998 0.000 -0.649) 1.190 28.403 ( 1.413 0.000 -0.108) 1.417 28.407 ( 1.547 0.000 -0.438) 1.608 28.422 ( -0.287 0.000 0.043) 0.290 28.430 ( -0.617 0.000 -0.748) 0.970 31.157 ( 4.717 0.000 0.938) 4.810 31.198 ( 2.778 0.000 -2.658) 3.845 31.366 ( -1.443 0.000 1.797) 2.305 31.422 ( -4.229 0.000 -3.103) 5.246 31.600 ( 1.665 0.000 0.948) 1.916 31.651 ( -2.706 0.000 -3.630) 4.527 31.703 ( 9.317 0.000 2.558) 9.662 31.718 ( 5.060 0.000 0.262) 5.066 31.757 ( -2.081 0.000 2.508) 3.259 31.877 ( -6.211 0.000 -7.078) 9.417 32.001 ( 0.406 0.000 5.672) 5.687 32.102 ( -5.515 0.000 -2.378) 6.006 32.210 ( 6.775 0.000 1.685) 6.982 32.256 ( 7.983 0.000 -2.181) 8.276 32.370 ( -2.402 0.000 3.672) 4.388 32.463 ( -4.458 0.000 -2.809) 5.269 32.656 ( 0.757 0.000 1.249) 1.460 32.693 ( -3.462 0.000 -2.495) 4.268 33.022 ( 2.468 0.000 1.453) 2.864 33.094 ( -4.138 0.000 -4.908) 6.420 34.275 ( 1.717 0.000 6.519) 6.742 34.282 ( 0.847 0.000 5.307) 5.374 34.845 ( 0.332 0.000 5.198) 5.208 34.917 ( -6.123 0.000 -1.271) 6.254 ======================= Grid point 105 (40/45) ======================= q-point: ( 0.00 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 54 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( 0.000 1.855 9.984) 10.154 1.748 ( 0.000 0.635 6.072) 6.105 1.877 ( 0.000 1.258 3.930) 4.127 1.923 ( 0.000 0.921 -0.525) 1.060 1.944 ( 0.000 -1.425 2.382) 2.775 1.982 ( 0.000 -1.337 -0.027) 1.337 1.987 ( 0.000 -0.887 0.104) 0.893 1.994 ( 0.000 -1.717 0.931) 1.954 2.105 ( 0.000 2.545 5.946) 6.468 2.224 ( 0.000 -2.125 2.507) 3.287 2.252 ( 0.000 -0.949 -4.253) 4.358 2.282 ( 0.000 -0.878 -2.067) 2.245 2.368 ( 0.000 0.295 0.733) 0.790 2.373 ( 0.000 0.455 0.345) 0.571 2.532 ( 0.000 0.800 10.888) 10.917 2.553 ( 0.000 0.156 7.050) 7.051 2.663 ( 0.000 0.215 -1.919) 1.931 2.669 ( 0.000 0.618 3.952) 4.000 2.687 ( 0.000 1.105 0.530) 1.226 2.788 ( 0.000 -2.520 -3.754) 4.522 3.008 ( 0.000 0.540 0.170) 0.566 3.014 ( 0.000 0.485 2.029) 2.087 3.134 ( 0.000 1.545 1.329) 2.038 3.208 ( 0.000 -1.454 -3.610) 3.892 3.546 ( 0.000 0.734 4.093) 4.158 3.573 ( 0.000 -0.404 2.606) 2.637 3.957 ( 0.000 1.786 2.007) 2.687 4.027 ( 0.000 -1.295 -1.754) 2.180 4.192 ( 0.000 0.842 -12.360) 12.389 4.203 ( 0.000 0.920 -1.390) 1.667 4.230 ( 0.000 1.694 -8.633) 8.797 4.257 ( 0.000 0.396 0.100) 0.409 4.347 ( 0.000 0.031 -0.383) 0.384 4.374 ( 0.000 -1.270 -5.922) 6.057 4.398 ( 0.000 0.301 -6.523) 6.530 4.475 ( 0.000 -2.450 -14.460) 14.667 5.143 ( 0.000 -0.257 0.770) 0.812 5.161 ( 0.000 -1.039 -0.852) 1.344 5.252 ( 0.000 0.513 1.331) 1.426 5.258 ( 0.000 0.212 0.801) 0.829 5.501 ( 0.000 0.289 4.486) 4.496 5.515 ( 0.000 -0.271 3.372) 3.383 5.770 ( 0.000 0.225 5.646) 5.650 5.784 ( 0.000 -0.459 5.410) 5.429 5.851 ( 0.000 -0.065 0.138) 0.153 5.853 ( 0.000 -0.073 1.160) 1.162 5.902 ( 0.000 1.210 3.535) 3.736 5.931 ( 0.000 -0.184 1.584) 1.595 6.039 ( 0.000 -0.042 4.210) 4.211 6.058 ( 0.000 -0.727 2.146) 2.265 6.073 ( 0.000 1.531 5.159) 5.382 6.106 ( 0.000 0.445 1.241) 1.318 6.217 ( 0.000 -0.666 1.503) 1.644 6.237 ( 0.000 -1.137 -0.252) 1.164 6.422 ( 0.000 0.392 3.921) 3.941 6.443 ( 0.000 -0.479 2.257) 2.308 6.601 ( 0.000 0.622 2.178) 2.265 6.626 ( 0.000 -0.393 2.201) 2.236 6.655 ( 0.000 0.628 -2.730) 2.801 6.686 ( 0.000 -0.625 -3.042) 3.106 6.758 ( 0.000 0.116 -1.712) 1.716 6.770 ( 0.000 -0.387 -2.454) 2.484 6.802 ( 0.000 0.084 0.361) 0.371 6.805 ( 0.000 -0.036 0.237) 0.240 6.984 ( 0.000 0.599 11.356) 11.372 7.008 ( 0.000 -0.390 12.142) 12.148 7.270 ( 0.000 1.569 -11.234) 11.343 7.349 ( 0.000 -1.708 -15.614) 15.708 7.639 ( 0.000 -0.004 1.463) 1.463 7.642 ( 0.000 -0.119 1.128) 1.135 7.767 ( 0.000 0.241 0.640) 0.684 7.786 ( 0.000 -0.603 -1.424) 1.546 12.332 ( 0.000 0.028 -0.955) 0.955 12.333 ( 0.000 0.001 -1.032) 1.032 12.568 ( 0.000 0.161 -0.980) 0.993 12.574 ( 0.000 -0.081 -1.513) 1.515 13.017 ( 0.000 0.004 0.693) 0.693 13.018 ( 0.000 -0.026 0.606) 0.606 13.341 ( 0.000 0.149 1.042) 1.052 13.347 ( 0.000 -0.099 0.440) 0.451 13.804 ( 0.000 0.368 3.715) 3.733 13.824 ( 0.000 -0.450 3.260) 3.291 13.902 ( 0.000 0.340 -4.061) 4.075 13.919 ( 0.000 -0.367 -4.282) 4.297 14.320 ( 0.000 0.233 3.649) 3.657 14.327 ( 0.000 -0.021 3.333) 3.333 14.439 ( 0.000 0.109 -1.388) 1.392 14.449 ( 0.000 -0.304 -2.081) 2.103 16.944 ( 0.000 0.168 0.253) 0.303 16.952 ( 0.000 -0.122 -0.417) 0.435 17.171 ( 0.000 0.143 0.530) 0.549 17.175 ( 0.000 -0.033 0.350) 0.351 17.289 ( 0.000 -1.319 1.095) 1.714 17.302 ( 0.000 -1.515 -0.349) 1.555 17.370 ( 0.000 1.670 -0.361) 1.709 17.388 ( 0.000 0.155 -1.652) 1.659 17.495 ( 0.000 0.714 -0.756) 1.040 17.496 ( 0.000 1.153 -0.887) 1.454 17.598 ( 0.000 0.051 0.544) 0.547 17.601 ( 0.000 -0.103 0.211) 0.235 17.963 ( 0.000 -0.355 0.128) 0.377 17.973 ( 0.000 -0.819 -0.802) 1.146 18.220 ( 0.000 0.264 0.897) 0.935 18.230 ( 0.000 -0.170 -0.134) 0.217 18.840 ( 0.000 1.122 0.926) 1.455 18.856 ( 0.000 0.720 -0.477) 0.863 18.981 ( 0.000 -0.839 2.596) 2.728 19.002 ( 0.000 -1.573 1.808) 2.397 19.065 ( 0.000 0.878 -1.616) 1.839 19.069 ( 0.000 0.618 -0.860) 1.060 19.115 ( 0.000 -0.432 -1.664) 1.719 19.125 ( 0.000 -0.865 -2.561) 2.703 28.305 ( 0.000 0.030 0.220) 0.222 28.309 ( 0.000 -0.127 0.043) 0.134 28.323 ( 0.000 -0.022 0.442) 0.443 28.332 ( 0.000 -0.413 -0.265) 0.491 28.346 ( 0.000 0.378 -0.250) 0.454 28.351 ( 0.000 0.196 -0.561) 0.595 28.409 ( 0.000 0.381 0.450) 0.590 28.427 ( 0.000 -0.376 -1.171) 1.230 31.060 ( 0.000 1.395 0.308) 1.429 31.099 ( 0.000 0.009 -3.315) 3.315 31.387 ( 0.000 -1.647 0.503) 1.722 31.412 ( 0.000 -2.206 -1.552) 2.697 31.429 ( 0.000 0.468 1.005) 1.109 31.451 ( 0.000 -0.989 -1.189) 1.547 31.692 ( 0.000 5.229 4.337) 6.794 31.793 ( 0.000 1.807 -4.816) 5.143 31.826 ( 0.000 -0.890 1.049) 1.376 31.859 ( 0.000 -1.068 0.244) 1.096 32.000 ( 0.000 -0.927 1.698) 1.934 32.144 ( 0.000 -4.700 -9.077) 10.222 32.151 ( 0.000 1.887 5.499) 5.814 32.187 ( 0.000 0.400 3.228) 3.252 32.545 ( 0.000 3.642 4.215) 5.570 32.560 ( 0.000 1.255 -0.998) 1.604 32.581 ( 0.000 5.134 1.260) 5.287 32.644 ( 0.000 -0.313 -7.043) 7.050 33.025 ( 0.000 -3.966 6.414) 7.541 33.150 ( 0.000 -8.588 -5.185) 10.032 34.282 ( 0.000 7.112 3.538) 7.944 34.295 ( 0.000 4.922 2.004) 5.314 34.892 ( 0.000 -1.308 10.908) 10.986 35.057 ( 0.000 -6.995 -4.488) 8.311 ======================= Grid point 106 (41/45) ======================= q-point: ( 0.20 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.730 ( -1.807 0.227 4.697) 5.037 1.736 ( 1.344 0.177 6.868) 7.001 1.874 ( -0.620 1.243 2.493) 2.854 1.902 ( -1.542 1.042 0.858) 2.049 1.933 ( -0.658 -0.848 2.323) 2.559 1.963 ( -1.487 0.657 2.276) 2.797 1.966 ( -1.232 -1.007 -0.429) 1.648 2.019 ( 1.910 -1.702 1.047) 2.765 2.116 ( 0.997 1.779 6.050) 6.385 2.239 ( 1.118 -2.974 3.791) 4.946 2.274 ( 2.088 0.401 -3.271) 3.901 2.317 ( 1.919 -1.055 -0.951) 2.388 2.347 ( -1.183 0.027 1.859) 2.204 2.370 ( -0.455 -0.395 -0.022) 0.603 2.484 ( -3.941 0.928 5.531) 6.855 2.492 ( -3.108 0.741 6.191) 6.968 2.603 ( -3.977 0.202 0.643) 4.033 2.627 ( -3.374 0.007 3.664) 4.981 2.673 ( -2.279 1.473 -0.819) 2.834 2.752 ( -3.820 -1.560 -2.973) 5.085 3.076 ( 4.876 0.764 1.942) 5.304 3.107 ( 6.682 -0.291 4.152) 7.872 3.161 ( 2.444 1.473 -0.800) 2.964 3.231 ( 2.243 -1.306 -3.078) 4.026 3.628 ( 6.766 0.154 0.391) 6.779 3.633 ( 5.094 -0.067 0.058) 5.095 3.826 ( -7.285 2.946 2.010) 8.111 3.959 ( -5.476 -1.149 -3.054) 6.375 4.022 ( -9.562 1.564 -5.163) 10.978 4.140 ( -1.630 0.604 -5.248) 5.529 4.166 ( -4.661 -1.814 -7.834) 9.295 4.178 ( -4.409 -1.627 -8.653) 9.847 4.509 ( 11.202 0.530 -3.407) 11.721 4.527 ( 10.588 -0.238 -5.085) 11.749 4.649 ( 14.759 0.654 -3.605) 15.207 4.672 ( 12.801 -0.077 -5.825) 14.064 5.155 ( 1.426 -0.367 0.871) 1.711 5.168 ( 0.992 -0.766 -0.010) 1.253 5.288 ( 2.225 0.425 1.884) 2.946 5.299 ( 2.535 -0.022 1.186) 2.799 5.475 ( -1.726 0.413 3.959) 4.338 5.491 ( -1.499 -0.263 2.612) 3.023 5.761 ( -0.843 0.187 3.952) 4.045 5.777 ( -1.096 -0.406 3.039) 3.256 5.810 ( -3.500 0.208 2.946) 4.579 5.829 ( -1.873 -0.274 1.962) 2.726 5.904 ( -0.933 0.637 2.303) 2.565 5.918 ( -1.386 0.292 3.017) 3.333 5.966 ( -2.815 -0.435 1.881) 3.413 5.975 ( -3.438 -0.699 1.624) 3.866 6.122 ( -0.313 1.708 2.809) 3.302 6.139 ( -2.467 1.790 -0.109) 3.050 6.202 ( -0.002 -1.430 3.725) 3.990 6.220 ( -1.461 -1.587 0.782) 2.295 6.329 ( -5.131 -0.022 5.064) 7.209 6.337 ( -6.114 -0.235 4.484) 7.585 6.627 ( 0.927 0.458 1.904) 2.166 6.638 ( -0.088 0.056 1.313) 1.317 6.676 ( 1.126 0.081 -1.113) 1.585 6.686 ( -0.183 -0.260 -1.667) 1.698 6.786 ( 3.414 -0.044 -2.054) 3.984 6.788 ( 3.336 -0.041 -1.818) 3.799 6.845 ( 2.958 -0.153 0.370) 2.985 6.848 ( 2.877 -0.200 0.097) 2.886 6.994 ( 0.310 0.456 9.084) 9.101 7.010 ( -0.346 -0.248 10.217) 10.226 7.210 ( -4.543 1.125 -9.800) 10.861 7.266 ( -6.243 -1.190 -12.155) 13.716 7.666 ( 1.666 0.065 0.619) 1.778 7.673 ( 2.222 -0.263 -0.315) 2.259 7.760 ( -0.586 0.150 0.233) 0.649 7.773 ( -1.253 -0.396 -1.171) 1.760 12.351 ( 1.770 0.031 -0.985) 2.026 12.352 ( 1.769 0.019 -1.025) 2.045 12.541 ( -2.399 0.122 -0.989) 2.598 12.546 ( -2.511 -0.061 -1.386) 2.869 13.029 ( 1.147 0.034 0.599) 1.294 13.030 ( 1.216 -0.032 0.431) 1.290 13.272 ( -5.397 0.022 0.556) 5.426 13.274 ( -5.584 -0.033 0.408) 5.599 13.856 ( 3.692 0.164 3.267) 4.933 13.867 ( 3.179 -0.311 3.391) 4.659 13.930 ( 2.228 0.445 -3.227) 3.946 13.946 ( 2.075 -0.172 -3.433) 4.015 14.316 ( -0.196 -0.242 2.723) 2.741 14.321 ( -0.414 -0.256 2.860) 2.901 14.426 ( -1.145 0.278 -1.224) 1.699 14.432 ( -1.567 0.052 -1.619) 2.254 16.972 ( 2.489 0.135 0.422) 2.528 16.980 ( 2.537 -0.184 -0.321) 2.564 17.169 ( -0.588 0.073 0.637) 0.870 17.173 ( -0.603 -0.009 0.357) 0.701 17.297 ( 0.704 -1.160 1.333) 1.902 17.316 ( 1.178 -1.728 -0.474) 2.145 17.366 ( -0.004 1.163 -0.624) 1.320 17.377 ( -0.485 0.090 -1.676) 1.747 17.477 ( -1.444 1.432 -0.914) 2.229 17.482 ( -1.365 1.194 -1.187) 2.168 17.559 ( -3.233 0.130 0.477) 3.270 17.563 ( -3.334 -0.075 0.126) 3.337 17.985 ( 1.678 -0.592 -0.071) 1.780 17.999 ( 2.326 -0.713 -0.245) 2.445 18.195 ( -2.215 0.280 0.716) 2.345 18.208 ( -1.824 -0.025 0.043) 1.824 18.859 ( 1.707 1.013 1.091) 2.265 18.879 ( 2.015 0.512 -0.522) 2.144 18.981 ( -0.088 -0.810 2.106) 2.258 19.000 ( -0.289 -1.225 2.407) 2.716 19.048 ( -0.863 1.057 -1.247) 1.848 19.075 ( 0.051 0.419 -1.548) 1.604 19.104 ( -1.139 -0.858 -1.935) 2.404 19.112 ( -0.851 -0.591 -1.867) 2.135 28.282 ( -0.986 0.166 0.508) 1.121 28.292 ( -0.712 -0.236 -0.239) 0.787 28.320 ( -1.297 0.123 0.197) 1.318 28.329 ( -0.967 -0.170 -0.372) 1.050 28.365 ( 1.891 0.103 -0.075) 1.895 28.370 ( 1.737 0.061 -0.293) 1.762 28.419 ( 0.631 0.263 0.139) 0.698 28.432 ( 0.262 -0.255 -0.950) 1.018 31.085 ( 2.612 1.328 0.285) 2.944 31.124 ( 2.800 0.080 -3.065) 4.152 31.384 ( -1.245 -1.999 0.309) 2.375 31.423 ( 0.611 -3.085 -1.865) 3.657 31.518 ( 8.056 1.271 1.477) 8.288 31.550 ( 8.639 0.206 -0.186) 8.644 31.651 ( -3.133 4.337 3.366) 6.321 31.769 ( -3.558 2.781 -3.622) 5.790 31.837 ( -4.272 -1.424 3.691) 5.823 31.908 ( 6.191 -0.877 1.111) 6.351 31.961 ( 1.263 -2.173 -4.340) 5.015 32.011 ( -2.953 -1.602 -4.799) 5.858 32.231 ( -1.077 1.827 3.682) 4.249 32.308 ( 6.749 -0.261 4.099) 7.900 32.367 ( -9.267 2.299 -0.737) 9.576 32.458 ( -1.958 -0.656 -2.520) 3.258 32.684 ( 2.688 4.360 2.026) 5.509 32.758 ( 3.799 2.359 -5.056) 6.749 32.962 ( -4.794 -4.941 5.768) 8.982 33.114 ( -2.349 -7.492 -4.841) 9.224 34.272 ( 0.242 6.100 3.858) 7.222 34.354 ( 4.139 6.660 3.075) 8.423 34.844 ( -4.105 -2.695 9.378) 10.586 34.991 ( -5.592 -6.659 -2.994) 9.197 ======================= Grid point 107 (42/45) ======================= q-point: ( 0.40 0.25 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.686 ( -1.510 -0.263 1.674) 2.270 1.777 ( 2.316 -1.275 2.828) 3.872 1.829 ( -2.583 1.044 2.434) 3.700 1.892 ( -0.098 0.255 1.200) 1.231 1.926 ( -0.007 -0.372 1.458) 1.505 1.939 ( -0.650 0.247 1.550) 1.699 1.941 ( -0.815 -0.128 0.341) 0.892 2.059 ( 1.351 -1.817 1.673) 2.815 2.149 ( 1.799 2.300 10.074) 10.489 2.237 ( -1.876 1.728 7.677) 8.089 2.296 ( 0.790 -3.164 1.598) 3.632 2.319 ( -0.631 -1.649 3.739) 4.135 2.366 ( 2.103 0.496 -2.429) 3.251 2.394 ( 2.189 0.277 -1.752) 2.817 2.425 ( -1.534 1.296 0.005) 2.009 2.447 ( -1.541 0.907 -0.343) 1.820 2.528 ( -2.107 -0.273 1.608) 2.665 2.568 ( -0.885 -0.154 2.297) 2.466 2.603 ( -3.349 0.333 -0.381) 3.387 2.646 ( -4.779 -0.597 -0.232) 4.821 3.169 ( 3.506 1.215 2.971) 4.754 3.209 ( 1.075 1.432 0.653) 1.906 3.229 ( 3.979 -0.950 4.484) 6.070 3.274 ( 0.544 -1.078 0.725) 1.408 3.706 ( 0.560 2.197 -5.420) 5.875 3.761 ( 2.057 1.498 -6.179) 6.682 3.791 ( 3.576 0.038 -1.973) 4.084 3.878 ( 0.734 0.323 -7.612) 7.654 3.916 ( 0.877 -0.127 -0.357) 0.955 4.046 ( -5.451 -1.041 -3.484) 6.553 4.064 ( -5.015 -2.055 -10.724) 12.015 4.084 ( -5.142 -0.973 -5.358) 7.490 4.767 ( 11.516 -0.023 -2.793) 11.850 4.774 ( 12.652 -0.396 -3.315) 13.085 4.886 ( 4.638 1.418 -2.089) 5.281 4.909 ( 6.672 0.884 -3.310) 7.500 5.169 ( -2.280 0.675 2.131) 3.193 5.185 ( -1.447 0.132 0.387) 1.504 5.248 ( -4.117 -0.773 2.976) 5.139 5.256 ( -3.673 -0.724 2.532) 4.520 5.530 ( 6.544 0.540 1.574) 6.752 5.540 ( 6.135 0.158 0.633) 6.170 5.694 ( -6.177 -0.337 1.583) 6.386 5.705 ( -5.557 -0.435 1.081) 5.678 5.753 ( -0.776 0.159 3.176) 3.273 5.809 ( 0.037 -0.083 2.415) 2.417 5.836 ( -2.686 -0.399 2.984) 4.034 5.904 ( -1.196 -0.290 2.665) 2.936 5.930 ( 0.113 0.158 0.764) 0.789 5.961 ( 0.991 0.102 0.093) 1.000 6.023 ( -4.776 0.089 0.347) 4.790 6.045 ( -3.992 -0.069 -0.097) 3.994 6.201 ( -0.339 0.764 6.082) 6.139 6.217 ( 0.393 0.956 6.667) 6.746 6.268 ( -1.268 -0.839 6.124) 6.310 6.271 ( -1.198 -0.931 6.335) 6.514 6.634 ( 0.489 0.261 0.380) 0.672 6.641 ( 0.639 0.088 -0.306) 0.714 6.664 ( -1.390 0.031 -0.439) 1.458 6.669 ( -1.285 -0.149 -1.095) 1.695 6.879 ( 2.750 -0.078 0.643) 2.825 6.887 ( 3.158 -0.137 0.426) 3.189 6.893 ( 1.397 -0.186 1.654) 2.172 6.901 ( 1.907 -0.165 0.531) 1.986 7.008 ( 2.424 0.242 1.616) 2.923 7.013 ( 2.612 0.045 1.863) 3.209 7.110 ( -4.866 0.366 -5.149) 7.094 7.131 ( -6.150 -0.534 -6.270) 8.799 7.697 ( 1.329 0.166 0.160) 1.349 7.711 ( 1.269 -0.422 -1.048) 1.699 7.737 ( -1.792 0.083 -0.370) 1.832 7.744 ( -0.905 -0.059 -0.440) 1.008 12.403 ( 2.929 0.076 -1.021) 3.103 12.405 ( 3.095 0.073 -1.044) 3.267 12.477 ( -3.405 0.020 -1.019) 3.554 12.479 ( -3.415 -0.052 -1.174) 3.611 13.069 ( 2.684 0.089 0.340) 2.707 13.071 ( 2.753 0.039 0.196) 2.760 13.155 ( -4.960 -0.084 0.190) 4.964 13.157 ( -4.814 -0.081 0.181) 4.818 13.925 ( 2.288 -0.133 1.723) 2.868 13.932 ( 2.537 -0.380 1.785) 3.126 13.965 ( 0.487 0.684 -0.097) 0.846 13.977 ( 0.366 0.252 -0.481) 0.655 14.317 ( 0.246 -0.848 0.583) 1.058 14.326 ( 0.930 -1.167 0.712) 1.653 14.390 ( -1.945 0.899 -0.529) 2.207 14.398 ( -1.112 0.698 -0.174) 1.324 17.043 ( 3.987 0.054 0.804) 4.068 17.051 ( 3.935 -0.256 0.027) 3.943 17.127 ( -3.371 -0.025 0.765) 3.457 17.132 ( -3.239 -0.101 0.434) 3.270 17.318 ( 1.045 -1.111 0.707) 1.681 17.341 ( 0.829 -2.070 -1.468) 2.670 17.388 ( 1.935 0.547 -0.146) 2.016 17.396 ( 2.462 -0.096 -0.911) 2.627 17.440 ( -1.789 1.468 -0.901) 2.483 17.449 ( -1.455 1.436 -1.848) 2.756 17.480 ( -3.809 0.475 0.313) 3.851 17.486 ( -2.894 0.852 -0.224) 3.025 18.019 ( 1.172 -0.788 0.152) 1.420 18.060 ( 3.118 -1.199 0.116) 3.343 18.136 ( -3.110 0.737 0.404) 3.221 18.170 ( -1.308 0.266 0.246) 1.357 18.905 ( 2.323 0.825 1.605) 2.941 18.927 ( 1.837 0.111 -0.159) 1.847 18.967 ( -1.338 -0.096 1.937) 2.356 18.987 ( -0.529 -1.150 0.792) 1.493 19.042 ( 0.120 1.181 -0.510) 1.292 19.057 ( -1.487 0.388 -2.018) 2.536 19.087 ( -0.052 -1.082 -0.925) 1.424 19.097 ( -0.539 -0.819 -1.724) 1.983 28.272 ( -0.002 0.162 0.513) 0.537 28.286 ( 0.087 -0.275 -0.504) 0.581 28.293 ( -0.915 0.332 0.662) 1.177 28.307 ( -0.842 -0.111 -0.456) 0.964 28.400 ( 1.158 -0.170 -0.112) 1.176 28.404 ( 1.225 -0.242 -0.480) 1.337 28.426 ( -0.058 0.318 -0.121) 0.345 28.431 ( -0.311 0.053 -0.567) 0.648 31.163 ( 3.781 1.006 -0.076) 3.914 31.217 ( 5.191 0.844 -2.021) 5.634 31.329 ( -3.908 -1.432 0.494) 4.191 31.418 ( -1.393 -2.129 -0.722) 2.644 31.596 ( -0.834 1.699 -0.736) 2.031 31.681 ( -0.606 1.367 -0.558) 1.596 31.706 ( 4.370 -0.722 -0.656) 4.477 31.737 ( -0.743 -1.160 2.214) 2.607 31.764 ( 6.416 4.128 1.591) 7.794 31.874 ( -2.211 -0.024 -6.589) 6.950 31.994 ( -1.013 -0.432 5.362) 5.474 32.083 ( -4.567 -2.344 -1.482) 5.343 32.222 ( 5.795 1.272 1.226) 6.058 32.259 ( 5.921 0.246 -1.883) 6.218 32.368 ( -2.602 0.146 2.388) 3.535 32.441 ( -4.360 -2.161 -2.509) 5.476 32.659 ( -2.544 1.867 -0.853) 3.269 32.785 ( 0.292 7.764 -0.505) 7.786 32.893 ( -1.290 -9.047 -0.456) 9.150 33.090 ( -0.106 -3.945 -2.257) 4.547 34.284 ( 0.541 6.383 5.527) 8.461 34.448 ( 3.753 10.218 4.511) 11.783 34.749 ( -3.782 -8.306 4.253) 10.069 34.872 ( -3.998 -5.366 1.155) 6.790 ======================= Grid point 110 (43/45) ======================= q-point: ( 0.00 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 42 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.751 ( 0.000 -0.731 8.206) 8.239 1.751 ( 0.000 0.731 8.206) 8.239 1.909 ( 0.000 -1.977 3.357) 3.896 1.909 ( 0.000 1.977 3.357) 3.896 1.949 ( 0.000 -1.790 0.327) 1.820 1.949 ( 0.000 1.790 0.327) 1.820 1.976 ( 0.000 -0.032 -0.115) 0.119 1.976 ( 0.000 0.032 -0.115) 0.119 2.161 ( 0.000 -3.351 4.496) 5.608 2.161 ( 0.000 3.351 4.496) 5.608 2.263 ( 0.000 -1.057 -3.380) 3.541 2.263 ( 0.000 1.057 -3.380) 3.541 2.374 ( 0.000 -0.240 0.302) 0.386 2.374 ( 0.000 0.240 0.302) 0.386 2.548 ( 0.000 -0.671 9.015) 9.040 2.548 ( 0.000 0.671 9.015) 9.040 2.668 ( 0.000 -0.297 2.010) 2.032 2.668 ( 0.000 0.297 2.010) 2.032 2.733 ( 0.000 -3.052 -2.847) 4.174 2.733 ( 0.000 3.052 -2.847) 4.174 3.017 ( 0.000 -0.254 2.012) 2.028 3.017 ( 0.000 0.254 2.012) 2.028 3.172 ( 0.000 -2.211 -2.042) 3.010 3.172 ( 0.000 2.211 -2.042) 3.010 3.561 ( 0.000 -0.782 3.314) 3.405 3.561 ( 0.000 0.782 3.314) 3.405 3.996 ( 0.000 -2.013 0.917) 2.212 3.996 ( 0.000 2.013 0.917) 2.212 4.206 ( 0.000 -0.438 -10.632) 10.641 4.206 ( 0.000 0.438 -10.632) 10.641 4.258 ( 0.000 -0.533 0.146) 0.553 4.258 ( 0.000 0.533 0.146) 0.553 4.354 ( 0.000 -0.724 -3.306) 3.384 4.354 ( 0.000 0.724 -3.306) 3.384 4.422 ( 0.000 -2.482 -11.769) 12.028 4.422 ( 0.000 2.482 -11.769) 12.028 5.144 ( 0.000 -0.518 -0.107) 0.529 5.144 ( 0.000 0.518 -0.107) 0.529 5.259 ( 0.000 -0.156 1.125) 1.135 5.259 ( 0.000 0.156 1.125) 1.135 5.508 ( 0.000 -0.392 3.896) 3.916 5.508 ( 0.000 0.392 3.896) 3.916 5.776 ( 0.000 -0.394 5.630) 5.644 5.776 ( 0.000 0.394 5.630) 5.644 5.851 ( 0.000 -0.068 0.473) 0.478 5.851 ( 0.000 0.068 0.473) 0.478 5.922 ( 0.000 -0.780 2.936) 3.038 5.922 ( 0.000 0.780 2.936) 3.038 6.044 ( 0.000 -0.609 3.064) 3.123 6.044 ( 0.000 0.609 3.064) 3.123 6.102 ( 0.000 -1.118 3.694) 3.860 6.102 ( 0.000 1.118 3.694) 3.860 6.216 ( 0.000 -0.751 -0.073) 0.755 6.216 ( 0.000 0.751 -0.073) 0.755 6.432 ( 0.000 -0.624 3.151) 3.212 6.432 ( 0.000 0.624 3.151) 3.212 6.614 ( 0.000 -0.743 2.121) 2.248 6.614 ( 0.000 0.743 2.121) 2.248 6.670 ( 0.000 -0.919 -2.819) 2.965 6.670 ( 0.000 0.919 -2.819) 2.965 6.762 ( 0.000 -0.354 -2.187) 2.216 6.762 ( 0.000 0.354 -2.187) 2.216 6.804 ( 0.000 -0.099 0.475) 0.485 6.804 ( 0.000 0.099 0.475) 0.485 6.997 ( 0.000 -0.677 11.598) 11.618 6.997 ( 0.000 0.677 11.598) 11.618 7.309 ( 0.000 -2.326 -13.406) 13.607 7.309 ( 0.000 2.326 -13.406) 13.607 7.639 ( 0.000 -0.092 1.237) 1.240 7.639 ( 0.000 0.092 1.237) 1.240 7.774 ( 0.000 -0.570 -0.218) 0.610 7.774 ( 0.000 0.570 -0.218) 0.610 12.332 ( 0.000 -0.020 -0.995) 0.995 12.332 ( 0.000 0.020 -0.995) 0.995 12.572 ( 0.000 -0.171 -1.248) 1.259 12.572 ( 0.000 0.171 -1.248) 1.259 13.017 ( 0.000 -0.022 0.652) 0.652 13.017 ( 0.000 0.022 0.652) 0.652 13.344 ( 0.000 -0.176 0.741) 0.762 13.344 ( 0.000 0.176 0.741) 0.762 13.814 ( 0.000 -0.576 3.500) 3.547 13.814 ( 0.000 0.576 3.500) 3.547 13.910 ( 0.000 -0.501 -4.187) 4.217 13.910 ( 0.000 0.501 -4.187) 4.217 14.325 ( 0.000 -0.206 3.561) 3.567 14.325 ( 0.000 0.206 3.561) 3.567 14.443 ( 0.000 -0.315 -1.792) 1.819 14.443 ( 0.000 0.315 -1.792) 1.819 16.948 ( 0.000 -0.209 -0.061) 0.218 16.948 ( 0.000 0.209 -0.061) 0.218 17.174 ( 0.000 -0.113 0.297) 0.317 17.174 ( 0.000 0.113 0.297) 0.317 17.281 ( 0.000 -0.460 0.910) 1.020 17.281 ( 0.000 0.460 0.910) 1.020 17.388 ( 0.000 -0.293 -1.525) 1.553 17.388 ( 0.000 0.293 -1.525) 1.553 17.507 ( 0.000 -0.160 -0.708) 0.726 17.507 ( 0.000 0.160 -0.708) 0.726 17.599 ( 0.000 -0.082 0.441) 0.448 17.599 ( 0.000 0.082 0.441) 0.448 17.961 ( 0.000 -0.270 -0.387) 0.472 17.961 ( 0.000 0.270 -0.387) 0.472 18.226 ( 0.000 -0.299 0.412) 0.509 18.226 ( 0.000 0.299 0.412) 0.509 18.860 ( 0.000 -0.571 0.125) 0.584 18.860 ( 0.000 0.571 0.125) 0.584 18.977 ( 0.000 -0.717 2.120) 2.238 18.977 ( 0.000 0.717 2.120) 2.238 19.077 ( 0.000 -0.108 -0.808) 0.815 19.077 ( 0.000 0.108 -0.808) 0.815 19.110 ( 0.000 -0.285 -2.346) 2.364 19.110 ( 0.000 0.285 -2.346) 2.364 28.306 ( 0.000 -0.107 0.158) 0.190 28.306 ( 0.000 0.107 0.158) 0.190 28.325 ( 0.000 -0.231 0.049) 0.237 28.325 ( 0.000 0.231 0.049) 0.237 28.352 ( 0.000 -0.162 -0.364) 0.399 28.352 ( 0.000 0.162 -0.364) 0.399 28.418 ( 0.000 -0.529 -0.379) 0.651 28.418 ( 0.000 0.529 -0.379) 0.651 31.088 ( 0.000 -1.232 -1.353) 1.830 31.088 ( 0.000 1.232 -1.353) 1.830 31.373 ( 0.000 -0.846 -1.191) 1.461 31.373 ( 0.000 0.846 -1.191) 1.461 31.443 ( 0.000 -0.582 0.498) 0.766 31.443 ( 0.000 0.582 0.498) 0.766 31.783 ( 0.000 -3.102 0.649) 3.169 31.783 ( 0.000 3.102 0.649) 3.169 31.827 ( 0.000 -1.658 2.784) 3.240 31.827 ( 0.000 1.658 2.784) 3.240 32.042 ( 0.000 -5.080 -6.670) 8.385 32.042 ( 0.000 5.080 -6.670) 8.385 32.182 ( 0.000 -1.037 4.642) 4.757 32.182 ( 0.000 1.037 4.642) 4.757 32.582 ( 0.000 -0.448 -0.965) 1.064 32.582 ( 0.000 0.448 -0.965) 1.064 32.650 ( 0.000 -0.315 0.018) 0.316 32.650 ( 0.000 0.315 0.018) 0.316 33.005 ( 0.000 -4.094 0.196) 4.099 33.005 ( 0.000 4.094 0.196) 4.099 34.363 ( 0.000 -0.312 1.875) 1.901 34.363 ( 0.000 0.312 1.875) 1.901 34.920 ( 0.000 -5.359 3.955) 6.660 34.920 ( 0.000 5.359 3.955) 6.660 ======================= Grid point 112 (44/45) ======================= q-point: ( 0.20 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.735 ( -1.197 -0.244 5.743) 5.871 1.735 ( -1.197 0.244 5.743) 5.871 1.902 ( -0.759 -1.351 2.712) 3.124 1.902 ( -0.759 1.351 2.712) 3.124 1.939 ( -0.801 -1.703 0.086) 1.884 1.939 ( -0.801 1.703 0.086) 1.884 1.983 ( 0.397 -1.496 1.549) 2.189 1.983 ( 0.397 1.496 1.549) 2.189 2.169 ( 1.282 -3.622 4.289) 5.759 2.169 ( 1.282 3.622 4.289) 5.759 2.294 ( 2.144 -1.281 -1.025) 2.700 2.294 ( 2.144 1.281 -1.025) 2.700 2.357 ( -1.217 -0.777 0.912) 1.707 2.357 ( -1.217 0.777 0.912) 1.707 2.497 ( -3.316 -0.321 5.575) 6.495 2.497 ( -3.316 0.321 5.575) 6.495 2.615 ( -3.700 -0.899 2.214) 4.404 2.615 ( -3.700 0.899 2.214) 4.404 2.713 ( -2.867 -2.342 -2.181) 4.297 2.713 ( -2.867 2.342 -2.181) 4.297 3.094 ( 5.586 -0.976 3.843) 6.851 3.094 ( 5.586 0.976 3.843) 6.851 3.197 ( 2.441 -2.048 -2.735) 4.199 3.197 ( 2.441 2.048 -2.735) 4.199 3.631 ( 5.834 -0.161 0.092) 5.837 3.631 ( 5.834 0.161 0.092) 5.837 3.897 ( -6.261 -4.158 2.156) 7.819 3.897 ( -6.261 4.158 2.156) 7.819 4.094 ( -8.410 -4.612 -9.943) 13.815 4.094 ( -8.410 4.612 -9.943) 13.815 4.158 ( -2.092 -0.882 -6.289) 6.686 4.158 ( -2.092 0.882 -6.289) 6.686 4.520 ( 10.526 -0.521 -4.223) 11.354 4.520 ( 10.526 0.521 -4.223) 11.354 4.664 ( 14.648 -0.742 -4.490) 15.338 4.664 ( 14.648 0.742 -4.490) 15.338 5.154 ( 1.196 -0.421 0.431) 1.339 5.154 ( 1.196 0.421 0.431) 1.339 5.296 ( 2.295 -0.342 1.483) 2.754 5.296 ( 2.295 0.342 1.483) 2.754 5.484 ( -1.542 -0.482 3.287) 3.663 5.484 ( -1.542 0.482 3.287) 3.663 5.768 ( -0.950 -0.460 3.681) 3.830 5.768 ( -0.950 0.460 3.681) 3.830 5.818 ( -2.910 -0.647 2.322) 3.778 5.818 ( -2.910 0.647 2.322) 3.778 5.918 ( -0.873 -0.519 2.632) 2.821 5.918 ( -0.874 0.519 2.632) 2.821 5.963 ( -3.481 -0.295 1.851) 3.954 5.963 ( -3.481 0.295 1.851) 3.954 6.161 ( -2.726 -1.862 1.128) 3.488 6.161 ( -2.726 1.862 1.128) 3.488 6.183 ( 0.931 -1.845 2.338) 3.120 6.183 ( 0.931 1.845 2.338) 3.120 6.332 ( -5.814 -0.242 4.806) 7.547 6.332 ( -5.814 0.242 4.806) 7.547 6.636 ( 0.396 -0.355 1.681) 1.763 6.636 ( 0.396 0.355 1.681) 1.763 6.680 ( 0.485 -0.310 -1.526) 1.631 6.680 ( 0.485 0.310 -1.526) 1.631 6.786 ( 3.417 -0.064 -2.003) 3.962 6.786 ( 3.417 0.064 -2.003) 3.962 6.844 ( 2.835 -0.106 0.472) 2.876 6.844 ( 2.835 0.106 0.472) 2.876 7.003 ( -0.027 -0.463 9.478) 9.489 7.003 ( -0.027 0.463 9.478) 9.489 7.237 ( -5.389 -1.635 -10.976) 12.337 7.237 ( -5.389 1.635 -10.976) 12.337 7.668 ( 1.932 -0.232 0.159) 1.952 7.668 ( 1.932 0.232 0.159) 1.952 7.765 ( -0.859 -0.366 -0.343) 0.994 7.765 ( -0.859 0.366 -0.343) 0.994 12.352 ( 1.782 -0.020 -1.007) 2.047 12.352 ( 1.782 0.020 -1.007) 2.047 12.544 ( -2.466 -0.130 -1.191) 2.742 12.544 ( -2.466 0.130 -1.191) 2.742 13.029 ( 1.196 -0.058 0.517) 1.304 13.029 ( 1.196 0.058 0.517) 1.304 13.273 ( -5.518 -0.056 0.474) 5.539 13.273 ( -5.518 0.056 0.474) 5.539 13.860 ( 3.386 -0.326 3.245) 4.701 13.860 ( 3.386 0.326 3.245) 4.701 13.939 ( 2.310 -0.462 -3.234) 4.001 13.939 ( 2.310 0.462 -3.234) 4.001 14.315 ( -0.648 -0.193 2.702) 2.786 14.315 ( -0.648 0.193 2.702) 2.786 14.431 ( -1.103 -0.200 -1.328) 1.737 14.431 ( -1.103 0.200 -1.328) 1.737 16.975 ( 2.466 -0.228 0.074) 2.478 16.975 ( 2.466 0.228 0.074) 2.478 17.171 ( -0.635 -0.147 0.458) 0.797 17.171 ( -0.635 0.147 0.458) 0.797 17.291 ( 0.933 -0.621 0.782) 1.367 17.291 ( 0.933 0.621 0.782) 1.367 17.377 ( -0.489 -0.200 -1.622) 1.706 17.377 ( -0.489 0.200 -1.622) 1.706 17.495 ( -1.110 -0.144 -0.981) 1.489 17.495 ( -1.110 0.144 -0.981) 1.489 17.561 ( -3.195 -0.057 0.412) 3.222 17.561 ( -3.195 0.057 0.412) 3.222 17.984 ( 1.908 -0.572 -0.197) 2.002 17.984 ( 1.908 0.572 -0.197) 2.002 18.203 ( -1.910 -0.451 0.414) 2.006 18.203 ( -1.910 0.451 0.414) 2.006 18.878 ( 1.673 -0.729 0.210) 1.837 18.878 ( 1.673 0.729 0.210) 1.837 18.978 ( 0.038 -0.704 2.127) 2.241 18.978 ( 0.038 0.704 2.127) 2.241 19.070 ( -0.497 -1.069 -0.880) 1.471 19.070 ( -0.497 1.069 -0.880) 1.471 19.099 ( -0.994 -0.582 -2.196) 2.480 19.099 ( -0.994 0.582 -2.196) 2.480 28.287 ( -0.863 -0.299 0.156) 0.926 28.287 ( -0.863 0.299 0.156) 0.926 28.324 ( -0.977 -0.274 -0.100) 1.020 28.324 ( -0.977 0.274 -0.100) 1.020 28.369 ( 1.641 -0.210 -0.193) 1.666 28.369 ( 1.641 0.210 -0.193) 1.666 28.425 ( 0.481 -0.354 -0.398) 0.717 28.425 ( 0.481 0.354 -0.398) 0.717 31.113 ( 2.684 -1.297 -1.249) 3.232 31.113 ( 2.684 1.297 -1.249) 3.232 31.375 ( -0.088 -1.312 -1.107) 1.718 31.375 ( -0.088 1.312 -1.107) 1.718 31.542 ( 8.334 -0.962 0.870) 8.435 31.542 ( 8.334 0.962 0.870) 8.435 31.740 ( -3.948 -4.303 4.335) 7.272 31.740 ( -3.948 4.303 4.335) 7.272 31.870 ( 0.680 -2.984 -2.933) 4.239 31.870 ( 0.680 2.984 -2.933) 4.239 31.963 ( -0.194 -2.497 -4.225) 4.912 31.963 ( -0.194 2.497 -4.225) 4.912 32.277 ( 2.448 -2.509 5.885) 6.850 32.277 ( 2.448 2.509 5.885) 6.850 32.425 ( -5.695 -2.880 -3.718) 7.386 32.425 ( -5.695 2.880 -3.718) 7.386 32.768 ( 3.134 -3.582 0.673) 4.807 32.768 ( 3.134 3.582 0.673) 4.807 32.957 ( -2.820 -6.756 -0.846) 7.369 32.957 ( -2.820 6.756 -0.846) 7.369 34.394 ( 2.761 -3.960 2.487) 5.431 34.394 ( 2.761 3.960 2.487) 5.431 34.857 ( -5.513 -5.351 4.009) 8.666 34.857 ( -5.513 5.351 4.009) 8.666 ======================= Grid point 114 (45/45) ======================= q-point: ( 0.40 -0.50 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.65e-04 1.10e-04 1.10e-04 1.10e-04 1.10e-04 5.20e-05 5.20e-05 5.20e-05 5.20e-05 Number of triplets: 68 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.712 ( -0.712 -2.958 2.373) 3.858 1.712 ( -0.712 2.958 2.373) 3.858 1.883 ( -0.693 -1.651 1.916) 2.623 1.883 ( -0.693 1.651 1.916) 2.623 1.928 ( -0.119 -0.597 0.241) 0.655 1.928 ( -0.119 0.597 0.241) 0.655 1.983 ( -0.280 -4.054 2.453) 4.746 1.983 ( -0.280 4.054 2.453) 4.746 2.218 ( 2.874 -3.777 6.042) 7.683 2.218 ( 2.874 3.777 6.042) 7.683 2.284 ( -2.456 -1.955 5.322) 6.179 2.284 ( -2.456 1.955 5.322) 6.179 2.386 ( 3.310 -1.127 -1.829) 3.945 2.386 ( 3.310 1.127 -1.829) 3.945 2.446 ( -1.885 -0.846 -0.128) 2.070 2.446 ( -1.885 0.846 -0.128) 2.070 2.545 ( -2.058 -1.592 1.040) 2.802 2.545 ( -2.058 1.592 1.040) 2.802 2.625 ( -3.951 -1.471 0.190) 4.220 2.625 ( -3.951 1.471 0.190) 4.220 3.199 ( 3.793 -1.693 3.785) 5.620 3.199 ( 3.793 1.693 3.785) 5.620 3.246 ( 0.806 -1.774 0.430) 1.996 3.246 ( 0.806 1.774 0.430) 1.996 3.749 ( 3.019 -1.935 -4.967) 6.126 3.749 ( 3.019 1.935 -4.967) 6.126 3.834 ( 0.906 -3.356 -1.943) 3.982 3.834 ( 0.906 3.356 -1.943) 3.982 3.973 ( -1.330 -4.620 -9.037) 10.236 3.973 ( -1.330 4.620 -9.037) 10.236 4.066 ( -6.615 -0.785 -4.569) 8.078 4.066 ( -6.615 0.785 -4.569) 8.078 4.768 ( 11.905 -0.174 -3.259) 12.344 4.768 ( 11.905 0.174 -3.259) 12.344 4.912 ( 5.655 -0.838 -2.590) 6.276 4.912 ( 5.655 0.838 -2.590) 6.276 5.182 ( 0.807 -0.532 1.574) 1.847 5.182 ( 0.807 0.532 1.574) 1.847 5.243 ( -6.214 -0.402 2.426) 6.682 5.243 ( -6.214 0.402 2.426) 6.682 5.539 ( 6.792 -0.328 1.186) 6.903 5.539 ( 6.792 0.328 1.186) 6.903 5.694 ( -6.346 -0.420 1.167) 6.466 5.694 ( -6.346 0.420 1.167) 6.466 5.772 ( -0.776 -1.893 3.235) 3.828 5.772 ( -0.776 1.893 3.235) 3.828 5.873 ( -1.793 -2.428 2.463) 3.895 5.873 ( -1.793 2.428 2.463) 3.895 5.948 ( 0.950 -1.217 0.839) 1.758 5.948 ( 0.950 1.217 0.839) 1.758 6.035 ( -4.953 -0.871 -0.189) 5.032 6.035 ( -4.953 0.871 -0.189) 5.032 6.222 ( 1.067 -0.849 6.148) 6.297 6.222 ( 1.067 0.848 6.148) 6.297 6.256 ( -1.892 -0.269 6.476) 6.752 6.256 ( -1.892 0.269 6.476) 6.752 6.640 ( 0.609 -0.269 -0.159) 0.685 6.640 ( 0.609 0.269 -0.159) 0.685 6.666 ( -1.402 -0.152 -0.683) 1.567 6.666 ( -1.402 0.152 -0.683) 1.567 6.881 ( 2.541 -0.297 1.105) 2.787 6.881 ( 2.541 0.297 1.105) 2.787 6.896 ( 2.002 -0.307 0.736) 2.155 6.896 ( 2.002 0.307 0.736) 2.155 7.012 ( 2.649 -0.178 1.574) 3.086 7.012 ( 2.649 0.178 1.574) 3.086 7.120 ( -5.616 -0.644 -5.631) 7.979 7.120 ( -5.616 0.644 -5.631) 7.979 7.703 ( 1.239 -0.398 -0.365) 1.351 7.703 ( 1.239 0.398 -0.365) 1.351 7.741 ( -1.241 -0.221 -0.454) 1.340 7.741 ( -1.241 0.221 -0.454) 1.340 12.405 ( 3.079 -0.072 -1.035) 3.249 12.405 ( 3.079 0.072 -1.035) 3.249 12.478 ( -3.475 -0.078 -1.104) 3.647 12.478 ( -3.475 0.078 -1.104) 3.647 13.071 ( 2.811 -0.100 0.263) 2.825 13.071 ( 2.811 0.100 0.263) 2.825 13.155 ( -4.983 -0.076 0.186) 4.987 13.155 ( -4.983 0.076 0.186) 4.987 13.926 ( 2.244 -0.231 1.543) 2.733 13.926 ( 2.244 0.231 1.543) 2.733 13.977 ( 0.636 -0.350 -0.037) 0.727 13.977 ( 0.636 0.350 -0.037) 0.727 14.310 ( 0.195 -0.274 0.490) 0.594 14.310 ( 0.195 0.274 0.490) 0.594 14.403 ( -1.170 -0.251 -0.222) 1.217 14.403 ( -1.170 0.251 -0.222) 1.217 17.046 ( 3.931 -0.241 0.457) 3.965 17.046 ( 3.931 0.241 0.457) 3.965 17.129 ( -3.349 -0.171 0.648) 3.415 17.129 ( -3.349 0.171 0.648) 3.415 17.313 ( 0.838 -0.656 -0.362) 1.124 17.313 ( 0.838 0.656 -0.362) 1.124 17.394 ( 2.225 -0.183 -0.875) 2.398 17.394 ( 2.225 0.183 -0.875) 2.398 17.457 ( -2.842 -0.369 -1.009) 3.038 17.457 ( -2.842 0.369 -1.009) 3.038 17.494 ( -1.969 -0.365 -0.071) 2.004 17.494 ( -1.969 0.365 -0.071) 2.004 18.026 ( 1.571 -1.503 0.106) 2.177 18.026 ( 1.571 1.503 0.106) 2.177 18.160 ( -1.620 -1.203 0.364) 2.051 18.160 ( -1.620 1.203 0.364) 2.051 18.922 ( 2.088 -0.731 0.551) 2.280 18.922 ( 2.088 0.731 0.551) 2.280 18.970 ( -0.989 -0.522 1.790) 2.111 18.970 ( -0.989 0.522 1.790) 2.111 19.063 ( 0.007 -1.086 -0.964) 1.452 19.063 ( 0.007 1.086 -0.964) 1.452 19.076 ( -0.965 -1.161 -1.854) 2.391 19.076 ( -0.965 1.161 -1.854) 2.391 28.278 ( -0.008 -0.450 0.084) 0.458 28.278 ( -0.008 0.450 0.084) 0.458 28.302 ( -0.803 -0.426 0.047) 0.910 28.302 ( -0.803 0.426 0.047) 0.910 28.400 ( 1.003 -0.145 -0.332) 1.067 28.400 ( 1.003 0.145 -0.332) 1.067 28.431 ( -0.019 -0.149 -0.329) 0.361 28.431 ( -0.019 0.149 -0.329) 0.361 31.197 ( 4.169 -2.199 -1.079) 4.836 31.197 ( 4.169 2.199 -1.079) 4.836 31.356 ( -1.874 -3.456 -0.017) 3.931 31.356 ( -1.874 3.456 -0.017) 3.931 31.654 ( -0.280 -3.576 -0.337) 3.603 31.654 ( -0.280 3.576 -0.337) 3.603 31.712 ( -0.319 -1.751 0.524) 1.856 31.712 ( -0.319 1.751 0.524) 1.856 31.847 ( 6.037 -3.554 -1.333) 7.131 31.847 ( 6.037 3.554 -1.333) 7.131 32.020 ( -4.218 -3.394 1.070) 5.518 32.020 ( -4.218 3.394 1.070) 5.518 32.250 ( 4.562 -1.333 0.110) 4.754 32.250 ( 4.562 1.333 0.110) 4.754 32.393 ( -3.749 -2.463 -1.084) 4.615 32.393 ( -3.749 2.463 -1.084) 4.615 32.739 ( -2.476 -6.545 -0.799) 7.043 32.739 ( -2.476 6.545 -0.799) 7.043 32.954 ( 1.018 -9.136 -0.830) 9.230 32.954 ( 1.018 9.136 -0.830) 9.230 34.468 ( 3.436 -10.243 3.758) 11.439 34.468 ( 3.436 10.243 3.758) 11.439 34.726 ( -5.230 -8.365 3.809) 10.575 34.726 ( -5.230 8.365 3.809) 10.575 =================== 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 3/25920 10.0 99.308 81.092 113.010 0.000 0.000 0.000 3/25920 20.0 36.270 12.337 44.237 0.000 0.000 0.000 3/25920 30.0 19.920 5.603 25.476 0.000 0.000 0.000 3/25920 40.0 13.045 3.505 16.978 0.000 0.000 0.000 3/25920 50.0 9.452 2.516 12.381 0.000 0.000 0.000 3/25920 60.0 7.330 1.953 9.629 0.000 0.000 0.000 3/25920 70.0 5.966 1.595 7.849 0.000 0.000 0.000 3/25920 80.0 5.027 1.349 6.622 0.000 0.000 0.000 3/25920 90.0 4.346 1.170 5.730 0.000 0.000 0.000 3/25920 100.0 3.831 1.034 5.054 0.000 0.000 0.000 3/25920 110.0 3.428 0.928 4.524 0.000 0.000 0.000 3/25920 120.0 3.104 0.842 4.098 0.000 0.000 0.000 3/25920 130.0 2.838 0.771 3.747 0.000 0.000 0.000 3/25920 140.0 2.615 0.712 3.453 0.000 0.000 0.000 3/25920 150.0 2.426 0.662 3.204 0.000 0.000 0.000 3/25920 160.0 2.264 0.619 2.989 0.000 0.000 0.000 3/25920 170.0 2.124 0.581 2.803 0.000 0.000 0.000 3/25920 180.0 2.000 0.549 2.639 0.000 0.000 0.000 3/25920 190.0 1.892 0.520 2.494 0.000 0.000 0.000 3/25920 200.0 1.795 0.495 2.365 0.000 0.000 0.000 3/25920 210.0 1.708 0.473 2.250 0.000 0.000 0.000 3/25920 220.0 1.630 0.453 2.146 0.000 0.000 0.000 3/25920 230.0 1.559 0.435 2.052 0.000 0.000 0.000 3/25920 240.0 1.495 0.419 1.966 0.000 0.000 0.000 3/25920 250.0 1.436 0.405 1.888 0.000 0.000 0.000 3/25920 260.0 1.382 0.392 1.817 0.000 0.000 0.000 3/25920 270.0 1.333 0.380 1.751 0.000 0.000 0.000 3/25920 280.0 1.287 0.370 1.690 0.000 0.000 0.000 3/25920 290.0 1.245 0.360 1.633 0.000 0.000 0.000 3/25920 300.0 1.206 0.351 1.581 0.000 0.000 0.000 3/25920 310.0 1.169 0.343 1.532 0.000 0.000 0.000 3/25920 320.0 1.135 0.335 1.487 0.000 0.000 0.000 3/25920 330.0 1.102 0.328 1.444 0.000 0.000 0.000 3/25920 340.0 1.072 0.321 1.404 0.000 0.000 0.000 3/25920 350.0 1.044 0.315 1.366 0.000 0.000 0.000 3/25920 360.0 1.017 0.309 1.331 0.000 0.000 0.000 3/25920 370.0 0.992 0.304 1.297 0.000 0.000 0.000 3/25920 380.0 0.968 0.299 1.265 0.000 0.000 0.000 3/25920 390.0 0.945 0.294 1.235 0.000 0.000 0.000 3/25920 400.0 0.924 0.289 1.207 0.000 0.000 0.000 3/25920 410.0 0.903 0.285 1.179 0.000 0.000 0.000 3/25920 420.0 0.884 0.280 1.154 0.000 0.000 0.000 3/25920 430.0 0.865 0.276 1.129 0.000 0.000 0.000 3/25920 440.0 0.847 0.272 1.105 0.000 0.000 0.000 3/25920 450.0 0.830 0.269 1.083 0.000 0.000 0.000 3/25920 460.0 0.814 0.265 1.061 0.000 0.000 0.000 3/25920 470.0 0.798 0.261 1.040 0.000 0.000 0.000 3/25920 480.0 0.783 0.258 1.020 0.000 0.000 0.000 3/25920 490.0 0.768 0.255 1.001 0.000 0.000 0.000 3/25920 500.0 0.755 0.251 0.983 0.000 0.000 0.000 3/25920 510.0 0.741 0.248 0.965 0.000 0.000 0.000 3/25920 520.0 0.728 0.245 0.948 0.000 0.000 0.000 3/25920 530.0 0.716 0.242 0.932 0.000 0.000 0.000 3/25920 540.0 0.704 0.239 0.916 0.000 0.000 0.000 3/25920 550.0 0.692 0.237 0.901 0.000 0.000 0.000 3/25920 560.0 0.681 0.234 0.886 0.000 0.000 0.000 3/25920 570.0 0.670 0.231 0.872 0.000 0.000 0.000 3/25920 580.0 0.660 0.228 0.858 0.000 0.000 0.000 3/25920 590.0 0.649 0.226 0.845 0.000 0.000 0.000 3/25920 600.0 0.640 0.223 0.832 0.000 0.000 0.000 3/25920 610.0 0.630 0.221 0.819 0.000 0.000 0.000 3/25920 620.0 0.621 0.218 0.807 0.000 0.000 0.000 3/25920 630.0 0.612 0.216 0.795 0.000 0.000 0.000 3/25920 640.0 0.603 0.214 0.784 0.000 0.000 0.000 3/25920 650.0 0.595 0.211 0.772 0.000 0.000 0.000 3/25920 660.0 0.586 0.209 0.762 0.000 0.000 0.000 3/25920 670.0 0.578 0.207 0.751 0.000 0.000 0.000 3/25920 680.0 0.570 0.205 0.741 0.000 0.000 0.000 3/25920 690.0 0.563 0.203 0.731 0.000 0.000 0.000 3/25920 700.0 0.556 0.201 0.721 0.000 0.000 0.000 3/25920 710.0 0.548 0.199 0.712 0.000 0.000 0.000 3/25920 720.0 0.541 0.197 0.703 0.000 0.000 0.000 3/25920 730.0 0.534 0.195 0.694 0.000 0.000 0.000 3/25920 740.0 0.528 0.193 0.685 0.000 0.000 0.000 3/25920 750.0 0.521 0.191 0.676 0.000 0.000 0.000 3/25920 760.0 0.515 0.189 0.668 0.000 0.000 0.000 3/25920 770.0 0.509 0.187 0.660 0.000 0.000 0.000 3/25920 780.0 0.503 0.185 0.652 0.000 0.000 0.000 3/25920 790.0 0.497 0.184 0.644 0.000 0.000 0.000 3/25920 800.0 0.491 0.182 0.637 0.000 0.000 0.000 3/25920 810.0 0.485 0.180 0.630 0.000 0.000 0.000 3/25920 820.0 0.480 0.178 0.622 0.000 0.000 0.000 3/25920 830.0 0.475 0.177 0.615 0.000 0.000 0.000 3/25920 840.0 0.469 0.175 0.608 0.000 0.000 0.000 3/25920 850.0 0.464 0.173 0.602 0.000 0.000 0.000 3/25920 860.0 0.459 0.172 0.595 0.000 0.000 0.000 3/25920 870.0 0.454 0.170 0.589 0.000 0.000 0.000 3/25920 880.0 0.449 0.169 0.582 0.000 0.000 0.000 3/25920 890.0 0.445 0.167 0.576 0.000 0.000 0.000 3/25920 900.0 0.440 0.166 0.570 0.000 0.000 0.000 3/25920 910.0 0.435 0.164 0.564 0.000 0.000 0.000 3/25920 920.0 0.431 0.163 0.559 0.000 0.000 0.000 3/25920 930.0 0.427 0.162 0.553 0.000 0.000 0.000 3/25920 940.0 0.422 0.160 0.547 0.000 0.000 0.000 3/25920 950.0 0.418 0.159 0.542 0.000 0.000 0.000 3/25920 960.0 0.414 0.157 0.536 0.000 0.000 0.000 3/25920 970.0 0.410 0.156 0.531 0.000 0.000 0.000 3/25920 980.0 0.406 0.155 0.526 0.000 0.000 0.000 3/25920 990.0 0.402 0.154 0.521 0.000 0.000 0.000 3/25920 1000.0 0.398 0.152 0.516 0.000 0.000 0.000 3/25920 Thermal conductivity related properties were written into "kappa-m549.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:22:06]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|