----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 04:29:19]------------------------- Compiled with OpenMP support (max 32 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.468050010007636 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762959140000000 0.000000000000000 c -0.120569530502699 0.000000000000000 9.838877987584517 Atomic positions (fractional): *1 Be 0.74056128862547 0.19225044707176 0.90266455633767 9.012 2 Be 0.25943871137453 0.69225044707176 0.59733544366233 9.012 3 Be 0.25943871137453 0.80774955292824 0.09733544366233 9.012 4 Be 0.74056128862547 0.30774955292824 0.40266455633767 9.012 *5 O 0.27605300871712 0.63086975007757 0.76728506621510 15.999 *6 O 0.72377859925902 0.98197651245775 0.98939309559157 15.999 7 O 0.27622140074098 0.48197651245775 0.51060690440843 15.999 8 O 0.27622140074098 0.01802348754225 0.01060690440843 15.999 9 O 0.72377859925902 0.51802348754225 0.48939309559157 15.999 10 O 0.72394699128288 0.36913024992243 0.23271493378490 15.999 11 O 0.27605300871712 0.86913024992243 0.26728506621510 15.999 *12 O 0.93134602544729 0.19371028938020 0.43727353688137 15.999 13 O 0.72394699128288 0.13086975007757 0.73271493378490 15.999 *14 O 0.71717768217288 0.83491630219699 0.28366318039840 15.999 15 O 0.28282231782713 0.33491630219699 0.21633681960160 15.999 16 O 0.28282231782713 0.16508369780301 0.71633681960160 15.999 17 O 0.06865397455271 0.80628971061980 0.56272646311863 15.999 18 O 0.93134602544729 0.30628971061980 0.93727353688137 15.999 *19 O 0.55971842609337 0.18155762773581 0.43519047375358 15.999 20 O 0.06865397455271 0.69371028938020 0.06272646311863 15.999 21 O 0.55971842609337 0.31844237226419 0.93519047375358 15.999 22 O 0.44028157390663 0.68155762773581 0.06480952624642 15.999 23 O 0.44028157390663 0.81844237226419 0.56480952624642 15.999 24 O 0.71717768217288 0.66508369780301 0.78366318039840 15.999 *25 Ba 0.98028195155943 0.41765431393409 0.67256063841208 137.327 26 Ba 0.98028195155943 0.08234568606591 0.17256063841208 137.327 27 Ba 0.01971804844057 0.91765431393409 0.82743936158792 137.327 28 Ba 0.01971804844057 0.58234568606591 0.32743936158792 137.327 *29 La 0.74558610030181 0.59168924633286 0.02243714282419 138.905 *30 La 0.47671760654884 0.58321439839400 0.32441574480819 138.905 31 La 0.52328239345116 0.08321439839400 0.17558425519182 138.905 32 La 0.52328239345116 0.41678560160600 0.67558425519181 138.905 33 La 0.47671760654884 0.91678560160600 0.82441574480819 138.905 34 La 0.74558610030181 0.90831075366714 0.52243714282419 138.905 35 La 0.25441389969819 0.40831075366714 0.97756285717581 138.905 36 La 0.25441389969819 0.09168924633286 0.47756285717581 138.905 -------------------------------- unit cell --------------------------------- Lattice vectors: a 7.468050010007636 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762959140000000 0.000000000000000 c -0.120569530502699 0.000000000000000 9.838877987584517 Atomic positions (fractional): *1 Be 0.74056128862547 0.19225044707176 0.90266455633767 9.012 > 1 2 Be 0.25943871137453 0.69225044707176 0.59733544366233 9.012 > 2 3 Be 0.25943871137453 0.80774955292824 0.09733544366233 9.012 > 3 4 Be 0.74056128862547 0.30774955292824 0.40266455633767 9.012 > 4 *5 O 0.27605300871712 0.63086975007757 0.76728506621510 15.999 > 5 *6 O 0.72377859925902 0.98197651245775 0.98939309559157 15.999 > 6 7 O 0.27622140074098 0.48197651245775 0.51060690440843 15.999 > 7 8 O 0.27622140074098 0.01802348754225 0.01060690440843 15.999 > 8 9 O 0.72377859925902 0.51802348754225 0.48939309559157 15.999 > 9 10 O 0.72394699128288 0.36913024992243 0.23271493378490 15.999 > 10 11 O 0.27605300871712 0.86913024992243 0.26728506621510 15.999 > 11 *12 O 0.93134602544729 0.19371028938020 0.43727353688137 15.999 > 12 13 O 0.72394699128288 0.13086975007757 0.73271493378490 15.999 > 13 *14 O 0.71717768217288 0.83491630219699 0.28366318039840 15.999 > 14 15 O 0.28282231782713 0.33491630219699 0.21633681960160 15.999 > 15 16 O 0.28282231782713 0.16508369780301 0.71633681960160 15.999 > 16 17 O 0.06865397455271 0.80628971061980 0.56272646311863 15.999 > 17 18 O 0.93134602544729 0.30628971061980 0.93727353688137 15.999 > 18 *19 O 0.55971842609337 0.18155762773581 0.43519047375358 15.999 > 19 20 O 0.06865397455271 0.69371028938020 0.06272646311863 15.999 > 20 21 O 0.55971842609337 0.31844237226419 0.93519047375358 15.999 > 21 22 O 0.44028157390663 0.68155762773581 0.06480952624642 15.999 > 22 23 O 0.44028157390663 0.81844237226419 0.56480952624642 15.999 > 23 24 O 0.71717768217288 0.66508369780301 0.78366318039840 15.999 > 24 *25 Ba 0.98028195155943 0.41765431393409 0.67256063841208 137.327 > 25 26 Ba 0.98028195155943 0.08234568606591 0.17256063841208 137.327 > 26 27 Ba 0.01971804844057 0.91765431393409 0.82743936158792 137.327 > 27 28 Ba 0.01971804844057 0.58234568606591 0.32743936158792 137.327 > 28 *29 La 0.74558610030181 0.59168924633286 0.02243714282419 138.905 > 29 *30 La 0.47671760654884 0.58321439839400 0.32441574480819 138.905 > 30 31 La 0.52328239345116 0.08321439839400 0.17558425519182 138.905 > 31 32 La 0.52328239345116 0.41678560160600 0.67558425519181 138.905 > 32 33 La 0.47671760654884 0.91678560160600 0.82441574480819 138.905 > 33 34 La 0.74558610030181 0.90831075366714 0.52243714282419 138.905 > 34 35 La 0.25441389969819 0.40831075366714 0.97756285717581 138.905 > 35 36 La 0.25441389969819 0.09168924633286 0.47756285717581 138.905 > 36 -------------------------------- super cell -------------------------------- Lattice vectors: a 14.936100020015273 0.000000000000000 0.000000000000000 b 0.000000000000000 13.525918280000001 0.000000000000000 c -0.120569530502699 0.000000000000000 9.838877987584517 Atomic positions (fractional): *1 Be 0.37028064431273 0.09612522353588 0.90266455633767 9.012 > 1 2 Be 0.87028064431273 0.09612522353588 0.90266455633767 9.012 > 1 3 Be 0.37028064431273 0.59612522353588 0.90266455633767 9.012 > 1 4 Be 0.87028064431273 0.59612522353588 0.90266455633767 9.012 > 1 5 Be 0.12971935568727 0.34612522353588 0.59733544366233 9.012 > 2 6 Be 0.62971935568727 0.34612522353588 0.59733544366233 9.012 > 2 7 Be 0.12971935568727 0.84612522353588 0.59733544366233 9.012 > 2 8 Be 0.62971935568727 0.84612522353588 0.59733544366233 9.012 > 2 9 Be 0.12971935568727 0.40387477646412 0.09733544366233 9.012 > 3 10 Be 0.62971935568727 0.40387477646412 0.09733544366233 9.012 > 3 11 Be 0.12971935568727 0.90387477646412 0.09733544366233 9.012 > 3 12 Be 0.62971935568727 0.90387477646412 0.09733544366233 9.012 > 3 13 Be 0.37028064431273 0.15387477646412 0.40266455633767 9.012 > 4 14 Be 0.87028064431273 0.15387477646412 0.40266455633767 9.012 > 4 15 Be 0.37028064431273 0.65387477646412 0.40266455633767 9.012 > 4 16 Be 0.87028064431273 0.65387477646412 0.40266455633767 9.012 > 4 *17 O 0.13802650435856 0.31543487503879 0.76728506621510 15.999 > 5 18 O 0.63802650435856 0.31543487503879 0.76728506621510 15.999 > 5 19 O 0.13802650435856 0.81543487503879 0.76728506621510 15.999 > 5 20 O 0.63802650435856 0.81543487503879 0.76728506621510 15.999 > 5 *21 O 0.36188929962951 0.49098825622887 0.98939309559157 15.999 > 6 22 O 0.86188929962951 0.49098825622887 0.98939309559157 15.999 > 6 23 O 0.36188929962951 0.99098825622887 0.98939309559157 15.999 > 6 24 O 0.86188929962951 0.99098825622887 0.98939309559157 15.999 > 6 25 O 0.13811070037049 0.24098825622887 0.51060690440843 15.999 > 7 26 O 0.63811070037049 0.24098825622887 0.51060690440843 15.999 > 7 27 O 0.13811070037049 0.74098825622887 0.51060690440843 15.999 > 7 28 O 0.63811070037049 0.74098825622887 0.51060690440843 15.999 > 7 29 O 0.13811070037049 0.00901174377112 0.01060690440843 15.999 > 8 30 O 0.63811070037049 0.00901174377112 0.01060690440843 15.999 > 8 31 O 0.13811070037049 0.50901174377113 0.01060690440843 15.999 > 8 32 O 0.63811070037049 0.50901174377113 0.01060690440843 15.999 > 8 33 O 0.36188929962951 0.25901174377113 0.48939309559157 15.999 > 9 34 O 0.86188929962951 0.25901174377113 0.48939309559157 15.999 > 9 35 O 0.36188929962951 0.75901174377113 0.48939309559157 15.999 > 9 36 O 0.86188929962951 0.75901174377113 0.48939309559157 15.999 > 9 37 O 0.36197349564144 0.18456512496121 0.23271493378490 15.999 > 10 38 O 0.86197349564144 0.18456512496121 0.23271493378490 15.999 > 10 39 O 0.36197349564144 0.68456512496121 0.23271493378490 15.999 > 10 40 O 0.86197349564144 0.68456512496121 0.23271493378490 15.999 > 10 41 O 0.13802650435856 0.43456512496121 0.26728506621510 15.999 > 11 42 O 0.63802650435856 0.43456512496121 0.26728506621510 15.999 > 11 43 O 0.13802650435856 0.93456512496121 0.26728506621510 15.999 > 11 44 O 0.63802650435856 0.93456512496121 0.26728506621510 15.999 > 11 *45 O 0.46567301272365 0.09685514469010 0.43727353688137 15.999 > 12 46 O 0.96567301272365 0.09685514469010 0.43727353688137 15.999 > 12 47 O 0.46567301272365 0.59685514469010 0.43727353688137 15.999 > 12 48 O 0.96567301272365 0.59685514469010 0.43727353688137 15.999 > 12 49 O 0.36197349564144 0.06543487503879 0.73271493378490 15.999 > 13 50 O 0.86197349564144 0.06543487503879 0.73271493378490 15.999 > 13 51 O 0.36197349564144 0.56543487503879 0.73271493378490 15.999 > 13 52 O 0.86197349564144 0.56543487503879 0.73271493378490 15.999 > 13 *53 O 0.35858884108644 0.41745815109850 0.28366318039840 15.999 > 14 54 O 0.85858884108644 0.41745815109850 0.28366318039840 15.999 > 14 55 O 0.35858884108644 0.91745815109850 0.28366318039840 15.999 > 14 56 O 0.85858884108644 0.91745815109850 0.28366318039840 15.999 > 14 57 O 0.14141115891356 0.16745815109850 0.21633681960160 15.999 > 15 58 O 0.64141115891356 0.16745815109850 0.21633681960160 15.999 > 15 59 O 0.14141115891356 0.66745815109850 0.21633681960160 15.999 > 15 60 O 0.64141115891356 0.66745815109850 0.21633681960160 15.999 > 15 61 O 0.14141115891356 0.08254184890150 0.71633681960160 15.999 > 16 62 O 0.64141115891356 0.08254184890150 0.71633681960160 15.999 > 16 63 O 0.14141115891356 0.58254184890150 0.71633681960160 15.999 > 16 64 O 0.64141115891356 0.58254184890150 0.71633681960160 15.999 > 16 65 O 0.03432698727635 0.40314485530990 0.56272646311863 15.999 > 17 66 O 0.53432698727635 0.40314485530990 0.56272646311863 15.999 > 17 67 O 0.03432698727635 0.90314485530990 0.56272646311863 15.999 > 17 68 O 0.53432698727635 0.90314485530990 0.56272646311863 15.999 > 17 69 O 0.46567301272365 0.15314485530990 0.93727353688137 15.999 > 18 70 O 0.96567301272365 0.15314485530990 0.93727353688137 15.999 > 18 71 O 0.46567301272365 0.65314485530990 0.93727353688137 15.999 > 18 72 O 0.96567301272365 0.65314485530990 0.93727353688137 15.999 > 18 *73 O 0.27985921304669 0.09077881386790 0.43519047375358 15.999 > 19 74 O 0.77985921304669 0.09077881386790 0.43519047375358 15.999 > 19 75 O 0.27985921304669 0.59077881386790 0.43519047375358 15.999 > 19 76 O 0.77985921304669 0.59077881386790 0.43519047375358 15.999 > 19 77 O 0.03432698727635 0.34685514469010 0.06272646311863 15.999 > 20 78 O 0.53432698727635 0.34685514469010 0.06272646311863 15.999 > 20 79 O 0.03432698727635 0.84685514469010 0.06272646311863 15.999 > 20 80 O 0.53432698727635 0.84685514469010 0.06272646311863 15.999 > 20 81 O 0.27985921304669 0.15922118613210 0.93519047375358 15.999 > 21 82 O 0.77985921304669 0.15922118613210 0.93519047375358 15.999 > 21 83 O 0.27985921304669 0.65922118613210 0.93519047375358 15.999 > 21 84 O 0.77985921304669 0.65922118613210 0.93519047375358 15.999 > 21 85 O 0.22014078695331 0.34077881386790 0.06480952624642 15.999 > 22 86 O 0.72014078695331 0.34077881386790 0.06480952624642 15.999 > 22 87 O 0.22014078695331 0.84077881386790 0.06480952624642 15.999 > 22 88 O 0.72014078695331 0.84077881386790 0.06480952624642 15.999 > 22 89 O 0.22014078695331 0.40922118613210 0.56480952624642 15.999 > 23 90 O 0.72014078695331 0.40922118613210 0.56480952624642 15.999 > 23 91 O 0.22014078695331 0.90922118613210 0.56480952624642 15.999 > 23 92 O 0.72014078695331 0.90922118613210 0.56480952624642 15.999 > 23 93 O 0.35858884108644 0.33254184890150 0.78366318039840 15.999 > 24 94 O 0.85858884108644 0.33254184890150 0.78366318039840 15.999 > 24 95 O 0.35858884108644 0.83254184890150 0.78366318039840 15.999 > 24 96 O 0.85858884108644 0.83254184890150 0.78366318039840 15.999 > 24 *97 Ba 0.49014097577972 0.20882715696705 0.67256063841208 137.327 > 25 98 Ba 0.99014097577972 0.20882715696705 0.67256063841208 137.327 > 25 99 Ba 0.49014097577972 0.70882715696705 0.67256063841208 137.327 > 25 100 Ba 0.99014097577972 0.70882715696705 0.67256063841208 137.327 > 25 101 Ba 0.49014097577972 0.04117284303295 0.17256063841208 137.327 > 26 102 Ba 0.99014097577972 0.04117284303295 0.17256063841208 137.327 > 26 103 Ba 0.49014097577972 0.54117284303295 0.17256063841208 137.327 > 26 104 Ba 0.99014097577972 0.54117284303295 0.17256063841208 137.327 > 26 105 Ba 0.00985902422028 0.45882715696705 0.82743936158792 137.327 > 27 106 Ba 0.50985902422028 0.45882715696705 0.82743936158792 137.327 > 27 107 Ba 0.00985902422028 0.95882715696705 0.82743936158792 137.327 > 27 108 Ba 0.50985902422028 0.95882715696705 0.82743936158792 137.327 > 27 109 Ba 0.00985902422028 0.29117284303295 0.32743936158792 137.327 > 28 110 Ba 0.50985902422028 0.29117284303295 0.32743936158792 137.327 > 28 111 Ba 0.00985902422028 0.79117284303295 0.32743936158792 137.327 > 28 112 Ba 0.50985902422028 0.79117284303295 0.32743936158792 137.327 > 28 *113 La 0.37279305015090 0.29584462316643 0.02243714282419 138.905 > 29 114 La 0.87279305015090 0.29584462316643 0.02243714282419 138.905 > 29 115 La 0.37279305015090 0.79584462316643 0.02243714282419 138.905 > 29 116 La 0.87279305015090 0.79584462316643 0.02243714282419 138.905 > 29 *117 La 0.23835880327442 0.29160719919700 0.32441574480819 138.905 > 30 118 La 0.73835880327442 0.29160719919700 0.32441574480819 138.905 > 30 119 La 0.23835880327442 0.79160719919700 0.32441574480819 138.905 > 30 120 La 0.73835880327442 0.79160719919700 0.32441574480819 138.905 > 30 121 La 0.26164119672558 0.04160719919700 0.17558425519182 138.905 > 31 122 La 0.76164119672558 0.04160719919700 0.17558425519182 138.905 > 31 123 La 0.26164119672558 0.54160719919700 0.17558425519182 138.905 > 31 124 La 0.76164119672558 0.54160719919700 0.17558425519182 138.905 > 31 125 La 0.26164119672558 0.20839280080300 0.67558425519181 138.905 > 32 126 La 0.76164119672558 0.20839280080300 0.67558425519181 138.905 > 32 127 La 0.26164119672558 0.70839280080300 0.67558425519181 138.905 > 32 128 La 0.76164119672558 0.70839280080300 0.67558425519181 138.905 > 32 129 La 0.23835880327442 0.45839280080300 0.82441574480819 138.905 > 33 130 La 0.73835880327442 0.45839280080300 0.82441574480819 138.905 > 33 131 La 0.23835880327442 0.95839280080300 0.82441574480819 138.905 > 33 132 La 0.73835880327442 0.95839280080300 0.82441574480819 138.905 > 33 133 La 0.37279305015090 0.45415537683357 0.52243714282419 138.905 > 34 134 La 0.87279305015090 0.45415537683357 0.52243714282419 138.905 > 34 135 La 0.37279305015090 0.95415537683357 0.52243714282419 138.905 > 34 136 La 0.87279305015090 0.95415537683357 0.52243714282419 138.905 > 34 137 La 0.12720694984910 0.20415537683357 0.97756285717581 138.905 > 35 138 La 0.62720694984910 0.20415537683357 0.97756285717581 138.905 > 35 139 La 0.12720694984910 0.70415537683357 0.97756285717581 138.905 > 35 140 La 0.62720694984910 0.70415537683357 0.97756285717581 138.905 > 35 141 La 0.12720694984910 0.04584462316643 0.47756285717581 138.905 > 36 142 La 0.62720694984910 0.04584462316643 0.47756285717581 138.905 > 36 143 La 0.12720694984910 0.54584462316643 0.47756285717581 138.905 > 36 144 La 0.62720694984910 0.54584462316643 0.47756285717581 138.905 > 36 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8541364 0.0000000 0.0192415 0.0000000 4.6908151 0.0000000 0.0192463 0.0000000 4.7936230 -------------------------- Born effective charges -------------------------- 1 Be 1.8602380 0.0987190 0.0544754 0.0209873 1.8482374 0.0109211 0.0394114 0.0146337 1.6958011 2 Be 1.8602380 -0.0987190 0.0544754 -0.0209873 1.8482374 -0.0109211 0.0394114 -0.0146337 1.6958011 3 Be 1.8602380 0.0987190 0.0544754 0.0209873 1.8482374 0.0109211 0.0394114 0.0146337 1.6958011 4 Be 1.8602380 -0.0987190 0.0544754 -0.0209873 1.8482374 -0.0109211 0.0394114 -0.0146337 1.6958011 5 O -2.4219560 -0.0179344 0.0171475 -0.0669069 -2.6501434 0.0764987 0.0822881 0.0603150 -2.6172301 6 O -2.5267443 -0.0581239 -0.0308680 0.0092174 -2.4338519 0.0055609 -0.0152235 -0.0928878 -2.6354021 7 O -2.5267443 0.0581239 -0.0308680 -0.0092174 -2.4338519 -0.0055609 -0.0152235 0.0928878 -2.6354021 8 O -2.5267443 -0.0581239 -0.0308680 0.0092174 -2.4338519 0.0055609 -0.0152235 -0.0928878 -2.6354021 9 O -2.5267443 0.0581239 -0.0308680 -0.0092174 -2.4338519 -0.0055609 -0.0152235 0.0928878 -2.6354021 10 O -2.4219560 -0.0179344 0.0171475 -0.0669069 -2.6501434 0.0764987 0.0822881 0.0603150 -2.6172301 11 O -2.4219560 0.0179344 0.0171475 0.0669069 -2.6501434 -0.0764987 0.0822881 -0.0603150 -2.6172301 12 O -2.9599972 0.0073245 -0.0434366 0.0759989 -2.3477697 0.0864475 -0.1189455 0.0986740 -2.1401763 13 O -2.4219560 0.0179344 0.0171475 0.0669069 -2.6501434 -0.0764987 0.0822881 -0.0603150 -2.6172301 14 O -2.5621532 -0.0296383 -0.1380910 -0.0562614 -2.6935016 0.1062200 -0.1843617 0.1716841 -2.8394138 15 O -2.5621532 0.0296383 -0.1380910 0.0562614 -2.6935016 -0.1062200 -0.1843617 -0.1716841 -2.8394138 16 O -2.5621532 -0.0296383 -0.1380910 -0.0562614 -2.6935016 0.1062200 -0.1843617 0.1716841 -2.8394138 17 O -2.9599972 0.0073245 -0.0434366 0.0759989 -2.3477697 0.0864475 -0.1189455 0.0986740 -2.1401763 18 O -2.9599972 -0.0073245 -0.0434366 -0.0759989 -2.3477697 -0.0864475 -0.1189455 -0.0986740 -2.1401763 19 O -2.7260508 -0.0409170 0.0690153 -0.0962074 -2.3807491 0.0961218 0.1294348 0.1255348 -2.2721802 20 O -2.9599972 -0.0073245 -0.0434366 -0.0759989 -2.3477697 -0.0864475 -0.1189455 -0.0986740 -2.1401763 21 O -2.7260508 0.0409170 0.0690153 0.0962074 -2.3807491 -0.0961218 0.1294348 -0.1255348 -2.2721802 22 O -2.7260508 0.0409170 0.0690153 0.0962074 -2.3807491 -0.0961218 0.1294348 -0.1255348 -2.2721802 23 O -2.7260508 -0.0409170 0.0690153 -0.0962074 -2.3807491 0.0961218 0.1294348 0.1255348 -2.2721802 24 O -2.5621532 0.0296383 -0.1380910 0.0562614 -2.6935016 -0.1062200 -0.1843617 -0.1716841 -2.8394138 25 Ba 3.0801516 0.0553034 -0.0419400 0.0565884 2.5147235 -0.0492316 -0.0573133 -0.0783464 2.6895538 26 Ba 3.0801516 -0.0553034 -0.0419400 -0.0565884 2.5147235 0.0492316 -0.0573133 0.0783464 2.6895538 27 Ba 3.0801516 -0.0553034 -0.0419400 -0.0565884 2.5147235 0.0492316 -0.0573133 0.0783464 2.6895538 28 Ba 3.0801516 0.0553034 -0.0419400 0.0565884 2.5147235 -0.0492316 -0.0573133 -0.0783464 2.6895538 29 La 4.3211372 -0.0705312 0.0091595 -0.0370812 4.0297305 -0.1099318 -0.0445371 -0.0280278 4.0518934 30 La 3.9353747 0.0526130 0.1045379 0.1048059 4.1133243 -0.0947226 0.1692470 -0.0350586 4.0671543 31 La 3.9353747 -0.0526130 0.1045379 -0.1048059 4.1133243 0.0947226 0.1692470 0.0350586 4.0671543 32 La 3.9353747 0.0526130 0.1045379 0.1048059 4.1133243 -0.0947226 0.1692470 -0.0350586 4.0671543 33 La 3.9353747 -0.0526130 0.1045379 -0.1048059 4.1133243 0.0947226 0.1692470 0.0350586 4.0671543 34 La 4.3211372 0.0705312 0.0091595 0.0370812 4.0297305 0.1099318 -0.0445371 0.0280278 4.0518934 35 La 4.3211372 -0.0705312 0.0091595 -0.0370812 4.0297305 -0.1099318 -0.0445371 -0.0280278 4.0518934 36 La 4.3211372 0.0705312 0.0091595 0.0370812 4.0297305 0.1099318 -0.0445371 0.0280278 4.0518934 ---------------------------------------------------------------------------- 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: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 280), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 280), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True ----- Solver_atoms: 1 -- 144 / 144 Time (Solver_compr_matrix_reshape): 0.007 Solver_block: 100 / 1120 - Time: 2.294 Solver_block: 200 / 1120 - Time: 2.174 Solver_block: 300 / 1120 - Time: 2.168 Solver_block: 400 / 1120 - Time: 2.172 Solver_block: 500 / 1120 - Time: 2.175 Solver_block: 600 / 1120 - Time: 2.172 Solver_block: 700 / 1120 - Time: 2.171 Solver_block: 800 / 1120 - Time: 2.167 Solver_block: 900 / 1120 - Time: 2.171 Solver_block: 1000 / 1120 - Time: 2.170 Solver_block: 1100 / 1120 - Time: 2.168 Solver_block: 1120 / 1120 - Time: 0.592 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 25.247 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (zz) -0.00000000 (zz) Permutation basis: 432/432 Permutation basis: 23760/23760 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 5994 Number of blocks in projector: 5994 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: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 232 eigenvectors found. (2) Block: 500 / 500 (2) 232 eigenvectors found. (2) Complementary block size: 36 (2) Compute compressed projector. (2) Use standard solver. (2) 18 eigenvectors found. (1) 482 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 235 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 15 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1296 / 1296 (1) 280 eigenvectors found. (1) Complementary block size: 51 (1) Compute compressed projector. (1) Use standard solver. (1) 33 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1296 Use submatrix version of eigh solver. (1) Block: 500 / 1296 (2) Block: 250 / 500 (2) 233 eigenvectors found. (2) Block: 500 / 500 (2) 233 eigenvectors found. (2) Complementary block size: 34 (2) Compute compressed projector. (2) Use standard solver. (2) 17 eigenvectors found. (1) 483 eigenvectors found. (1) Block: 1000 / 1296 (2) Block: 250 / 500 (2) 235 eigenvectors found. (2) Block: 500 / 500 (2) 239 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 485 eigenvectors found. (1) Block: 1296 / 1296 (1) 287 eigenvectors found. (1) Complementary block size: 41 (1) Compute compressed projector. (1) Use standard solver. (1) 24 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 702 Use submatrix version of eigh solver. (1) Block: 500 / 702 (2) Block: 250 / 500 (2) 241 eigenvectors found. (2) Block: 500 / 500 (2) 242 eigenvectors found. (2) Complementary block size: 17 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 491 eigenvectors found. (1) Block: 702 / 702 (1) 193 eigenvectors found. (1) Complementary block size: 18 (1) Compute compressed projector. (1) Use standard solver. (1) 9 eigenvectors found. Tree of FC basis block matrices: - (5994, 5914), data: False |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (702, 693), data: False |-- (702, 9), data: (702, 18) @ (18, 9) |-- (202, 193), data: True |-- (500, 491), data: False |-- (500, 8), data: (500, 17) @ (17, 8) |-- (250, 242), data: True |-- (250, 241), data: True |-- (1296, 1279), data: False |-- (1296, 24), data: (1296, 41) @ (41, 24) |-- (296, 287), data: True |-- (500, 485), data: False |-- (500, 11), data: (500, 26) @ (26, 11) |-- (250, 239), data: True |-- (250, 235), data: True |-- (500, 483), data: False |-- (500, 17), data: (500, 34) @ (34, 17) |-- (250, 233), data: True |-- (250, 233), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 280), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True |-- (1296, 1278), data: False |-- (1296, 33), data: (1296, 51) @ (51, 33) |-- (296, 280), data: True |-- (500, 483), data: False |-- (500, 15), data: (500, 32) @ (32, 15) |-- (250, 235), data: True |-- (250, 233), data: True |-- (500, 482), data: False |-- (500, 18), data: (500, 36) @ (36, 18) |-- (250, 232), data: True |-- (250, 232), data: True Max drift after symmetrization by symfc projector: -0.00000000 (zz) -0.00000000 (zz) 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 04:30:52]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:30:52]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.468050010007636 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762959140000000 0.000000000000000 c -0.120569530502699 0.000000000000000 9.838877987584517 Atomic positions (fractional): 1 Be 0.74056128862547 0.19225044707176 0.90266455633767 9.012 2 Be 0.25943871137453 0.69225044707176 0.59733544366233 9.012 3 Be 0.25943871137453 0.80774955292824 0.09733544366233 9.012 4 Be 0.74056128862547 0.30774955292824 0.40266455633767 9.012 5 O 0.27605300871712 0.63086975007757 0.76728506621510 15.999 6 O 0.72377859925902 0.98197651245775 0.98939309559157 15.999 7 O 0.27622140074098 0.48197651245775 0.51060690440843 15.999 8 O 0.27622140074098 0.01802348754225 0.01060690440843 15.999 9 O 0.72377859925902 0.51802348754225 0.48939309559157 15.999 10 O 0.72394699128288 0.36913024992243 0.23271493378490 15.999 11 O 0.27605300871712 0.86913024992243 0.26728506621510 15.999 12 O 0.93134602544729 0.19371028938020 0.43727353688137 15.999 13 O 0.72394699128288 0.13086975007757 0.73271493378490 15.999 14 O 0.71717768217288 0.83491630219699 0.28366318039840 15.999 15 O 0.28282231782713 0.33491630219699 0.21633681960160 15.999 16 O 0.28282231782713 0.16508369780301 0.71633681960160 15.999 17 O 0.06865397455271 0.80628971061980 0.56272646311863 15.999 18 O 0.93134602544729 0.30628971061980 0.93727353688137 15.999 19 O 0.55971842609337 0.18155762773581 0.43519047375358 15.999 20 O 0.06865397455271 0.69371028938020 0.06272646311863 15.999 21 O 0.55971842609337 0.31844237226419 0.93519047375358 15.999 22 O 0.44028157390663 0.68155762773581 0.06480952624642 15.999 23 O 0.44028157390663 0.81844237226419 0.56480952624642 15.999 24 O 0.71717768217288 0.66508369780301 0.78366318039840 15.999 25 Ba 0.98028195155943 0.41765431393409 0.67256063841208 137.327 26 Ba 0.98028195155943 0.08234568606591 0.17256063841208 137.327 27 Ba 0.01971804844057 0.91765431393409 0.82743936158792 137.327 28 Ba 0.01971804844057 0.58234568606591 0.32743936158792 137.327 29 La 0.74558610030181 0.59168924633286 0.02243714282419 138.905 30 La 0.47671760654884 0.58321439839400 0.32441574480819 138.905 31 La 0.52328239345116 0.08321439839400 0.17558425519182 138.905 32 La 0.52328239345116 0.41678560160600 0.67558425519181 138.905 33 La 0.47671760654884 0.91678560160600 0.82441574480819 138.905 34 La 0.74558610030181 0.90831075366714 0.52243714282419 138.905 35 La 0.25441389969819 0.40831075366714 0.97756285717581 138.905 36 La 0.25441389969819 0.09168924633286 0.47756285717581 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.936100020015273 0.000000000000000 0.000000000000000 b 0.000000000000000 13.525918280000001 0.000000000000000 c -0.120569530502699 0.000000000000000 9.838877987584517 Atomic positions (fractional): 1 Be 0.37028064431273 0.09612522353588 0.90266455633767 9.012 > 1 2 Be 0.87028064431273 0.09612522353588 0.90266455633767 9.012 > 1 3 Be 0.37028064431273 0.59612522353588 0.90266455633767 9.012 > 1 4 Be 0.87028064431273 0.59612522353588 0.90266455633767 9.012 > 1 5 Be 0.12971935568727 0.34612522353588 0.59733544366233 9.012 > 5 6 Be 0.62971935568727 0.34612522353588 0.59733544366233 9.012 > 5 7 Be 0.12971935568727 0.84612522353588 0.59733544366233 9.012 > 5 8 Be 0.62971935568727 0.84612522353588 0.59733544366233 9.012 > 5 9 Be 0.12971935568727 0.40387477646412 0.09733544366233 9.012 > 9 10 Be 0.62971935568727 0.40387477646412 0.09733544366233 9.012 > 9 11 Be 0.12971935568727 0.90387477646412 0.09733544366233 9.012 > 9 12 Be 0.62971935568727 0.90387477646412 0.09733544366233 9.012 > 9 13 Be 0.37028064431273 0.15387477646412 0.40266455633767 9.012 > 13 14 Be 0.87028064431273 0.15387477646412 0.40266455633767 9.012 > 13 15 Be 0.37028064431273 0.65387477646412 0.40266455633767 9.012 > 13 16 Be 0.87028064431273 0.65387477646412 0.40266455633767 9.012 > 13 17 O 0.13802650435856 0.31543487503879 0.76728506621510 15.999 > 17 18 O 0.63802650435856 0.31543487503879 0.76728506621510 15.999 > 17 19 O 0.13802650435856 0.81543487503879 0.76728506621510 15.999 > 17 20 O 0.63802650435856 0.81543487503879 0.76728506621510 15.999 > 17 21 O 0.36188929962951 0.49098825622887 0.98939309559157 15.999 > 21 22 O 0.86188929962951 0.49098825622887 0.98939309559157 15.999 > 21 23 O 0.36188929962951 0.99098825622887 0.98939309559157 15.999 > 21 24 O 0.86188929962951 0.99098825622887 0.98939309559157 15.999 > 21 25 O 0.13811070037049 0.24098825622887 0.51060690440843 15.999 > 25 26 O 0.63811070037049 0.24098825622887 0.51060690440843 15.999 > 25 27 O 0.13811070037049 0.74098825622887 0.51060690440843 15.999 > 25 28 O 0.63811070037049 0.74098825622887 0.51060690440843 15.999 > 25 29 O 0.13811070037049 0.00901174377112 0.01060690440843 15.999 > 29 30 O 0.63811070037049 0.00901174377112 0.01060690440843 15.999 > 29 31 O 0.13811070037049 0.50901174377113 0.01060690440843 15.999 > 29 32 O 0.63811070037049 0.50901174377113 0.01060690440843 15.999 > 29 33 O 0.36188929962951 0.25901174377113 0.48939309559157 15.999 > 33 34 O 0.86188929962951 0.25901174377113 0.48939309559157 15.999 > 33 35 O 0.36188929962951 0.75901174377113 0.48939309559157 15.999 > 33 36 O 0.86188929962951 0.75901174377113 0.48939309559157 15.999 > 33 37 O 0.36197349564144 0.18456512496121 0.23271493378490 15.999 > 37 38 O 0.86197349564144 0.18456512496121 0.23271493378490 15.999 > 37 39 O 0.36197349564144 0.68456512496121 0.23271493378490 15.999 > 37 40 O 0.86197349564144 0.68456512496121 0.23271493378490 15.999 > 37 41 O 0.13802650435856 0.43456512496121 0.26728506621510 15.999 > 41 42 O 0.63802650435856 0.43456512496121 0.26728506621510 15.999 > 41 43 O 0.13802650435856 0.93456512496121 0.26728506621510 15.999 > 41 44 O 0.63802650435856 0.93456512496121 0.26728506621510 15.999 > 41 45 O 0.46567301272365 0.09685514469010 0.43727353688137 15.999 > 45 46 O 0.96567301272365 0.09685514469010 0.43727353688137 15.999 > 45 47 O 0.46567301272365 0.59685514469010 0.43727353688137 15.999 > 45 48 O 0.96567301272365 0.59685514469010 0.43727353688137 15.999 > 45 49 O 0.36197349564144 0.06543487503879 0.73271493378490 15.999 > 49 50 O 0.86197349564144 0.06543487503879 0.73271493378490 15.999 > 49 51 O 0.36197349564144 0.56543487503879 0.73271493378490 15.999 > 49 52 O 0.86197349564144 0.56543487503879 0.73271493378490 15.999 > 49 53 O 0.35858884108644 0.41745815109850 0.28366318039840 15.999 > 53 54 O 0.85858884108644 0.41745815109850 0.28366318039840 15.999 > 53 55 O 0.35858884108644 0.91745815109850 0.28366318039840 15.999 > 53 56 O 0.85858884108644 0.91745815109850 0.28366318039840 15.999 > 53 57 O 0.14141115891356 0.16745815109850 0.21633681960160 15.999 > 57 58 O 0.64141115891356 0.16745815109850 0.21633681960160 15.999 > 57 59 O 0.14141115891356 0.66745815109850 0.21633681960160 15.999 > 57 60 O 0.64141115891356 0.66745815109850 0.21633681960160 15.999 > 57 61 O 0.14141115891356 0.08254184890150 0.71633681960160 15.999 > 61 62 O 0.64141115891356 0.08254184890150 0.71633681960160 15.999 > 61 63 O 0.14141115891356 0.58254184890150 0.71633681960160 15.999 > 61 64 O 0.64141115891356 0.58254184890150 0.71633681960160 15.999 > 61 65 O 0.03432698727635 0.40314485530990 0.56272646311863 15.999 > 65 66 O 0.53432698727635 0.40314485530990 0.56272646311863 15.999 > 65 67 O 0.03432698727635 0.90314485530990 0.56272646311863 15.999 > 65 68 O 0.53432698727635 0.90314485530990 0.56272646311863 15.999 > 65 69 O 0.46567301272365 0.15314485530990 0.93727353688137 15.999 > 69 70 O 0.96567301272365 0.15314485530990 0.93727353688137 15.999 > 69 71 O 0.46567301272365 0.65314485530990 0.93727353688137 15.999 > 69 72 O 0.96567301272365 0.65314485530990 0.93727353688137 15.999 > 69 73 O 0.27985921304669 0.09077881386790 0.43519047375358 15.999 > 73 74 O 0.77985921304669 0.09077881386790 0.43519047375358 15.999 > 73 75 O 0.27985921304669 0.59077881386790 0.43519047375358 15.999 > 73 76 O 0.77985921304669 0.59077881386790 0.43519047375358 15.999 > 73 77 O 0.03432698727635 0.34685514469010 0.06272646311863 15.999 > 77 78 O 0.53432698727635 0.34685514469010 0.06272646311863 15.999 > 77 79 O 0.03432698727635 0.84685514469010 0.06272646311863 15.999 > 77 80 O 0.53432698727635 0.84685514469010 0.06272646311863 15.999 > 77 81 O 0.27985921304669 0.15922118613210 0.93519047375358 15.999 > 81 82 O 0.77985921304669 0.15922118613210 0.93519047375358 15.999 > 81 83 O 0.27985921304669 0.65922118613210 0.93519047375358 15.999 > 81 84 O 0.77985921304669 0.65922118613210 0.93519047375358 15.999 > 81 85 O 0.22014078695331 0.34077881386790 0.06480952624642 15.999 > 85 86 O 0.72014078695331 0.34077881386790 0.06480952624642 15.999 > 85 87 O 0.22014078695331 0.84077881386790 0.06480952624642 15.999 > 85 88 O 0.72014078695331 0.84077881386790 0.06480952624642 15.999 > 85 89 O 0.22014078695331 0.40922118613210 0.56480952624642 15.999 > 89 90 O 0.72014078695331 0.40922118613210 0.56480952624642 15.999 > 89 91 O 0.22014078695331 0.90922118613210 0.56480952624642 15.999 > 89 92 O 0.72014078695331 0.90922118613210 0.56480952624642 15.999 > 89 93 O 0.35858884108644 0.33254184890150 0.78366318039840 15.999 > 93 94 O 0.85858884108644 0.33254184890150 0.78366318039840 15.999 > 93 95 O 0.35858884108644 0.83254184890150 0.78366318039840 15.999 > 93 96 O 0.85858884108644 0.83254184890150 0.78366318039840 15.999 > 93 97 Ba 0.49014097577972 0.20882715696705 0.67256063841208 137.327 > 97 98 Ba 0.99014097577972 0.20882715696705 0.67256063841208 137.327 > 97 99 Ba 0.49014097577972 0.70882715696705 0.67256063841208 137.327 > 97 100 Ba 0.99014097577972 0.70882715696705 0.67256063841208 137.327 > 97 101 Ba 0.49014097577972 0.04117284303295 0.17256063841208 137.327 > 101 102 Ba 0.99014097577972 0.04117284303295 0.17256063841208 137.327 > 101 103 Ba 0.49014097577972 0.54117284303295 0.17256063841208 137.327 > 101 104 Ba 0.99014097577972 0.54117284303295 0.17256063841208 137.327 > 101 105 Ba 0.00985902422028 0.45882715696705 0.82743936158792 137.327 > 105 106 Ba 0.50985902422028 0.45882715696705 0.82743936158792 137.327 > 105 107 Ba 0.00985902422028 0.95882715696705 0.82743936158792 137.327 > 105 108 Ba 0.50985902422028 0.95882715696705 0.82743936158792 137.327 > 105 109 Ba 0.00985902422028 0.29117284303295 0.32743936158792 137.327 > 109 110 Ba 0.50985902422028 0.29117284303295 0.32743936158792 137.327 > 109 111 Ba 0.00985902422028 0.79117284303295 0.32743936158792 137.327 > 109 112 Ba 0.50985902422028 0.79117284303295 0.32743936158792 137.327 > 109 113 La 0.37279305015090 0.29584462316643 0.02243714282419 138.905 > 113 114 La 0.87279305015090 0.29584462316643 0.02243714282419 138.905 > 113 115 La 0.37279305015090 0.79584462316643 0.02243714282419 138.905 > 113 116 La 0.87279305015090 0.79584462316643 0.02243714282419 138.905 > 113 117 La 0.23835880327442 0.29160719919700 0.32441574480819 138.905 > 117 118 La 0.73835880327442 0.29160719919700 0.32441574480819 138.905 > 117 119 La 0.23835880327442 0.79160719919700 0.32441574480819 138.905 > 117 120 La 0.73835880327442 0.79160719919700 0.32441574480819 138.905 > 117 121 La 0.26164119672558 0.04160719919700 0.17558425519182 138.905 > 121 122 La 0.76164119672558 0.04160719919700 0.17558425519182 138.905 > 121 123 La 0.26164119672558 0.54160719919700 0.17558425519182 138.905 > 121 124 La 0.76164119672558 0.54160719919700 0.17558425519182 138.905 > 121 125 La 0.26164119672558 0.20839280080300 0.67558425519181 138.905 > 125 126 La 0.76164119672558 0.20839280080300 0.67558425519181 138.905 > 125 127 La 0.26164119672558 0.70839280080300 0.67558425519181 138.905 > 125 128 La 0.76164119672558 0.70839280080300 0.67558425519181 138.905 > 125 129 La 0.23835880327442 0.45839280080300 0.82441574480819 138.905 > 129 130 La 0.73835880327442 0.45839280080300 0.82441574480819 138.905 > 129 131 La 0.23835880327442 0.95839280080300 0.82441574480819 138.905 > 129 132 La 0.73835880327442 0.95839280080300 0.82441574480819 138.905 > 129 133 La 0.37279305015090 0.45415537683357 0.52243714282419 138.905 > 133 134 La 0.87279305015090 0.45415537683357 0.52243714282419 138.905 > 133 135 La 0.37279305015090 0.95415537683357 0.52243714282419 138.905 > 133 136 La 0.87279305015090 0.95415537683357 0.52243714282419 138.905 > 133 137 La 0.12720694984910 0.20415537683357 0.97756285717581 138.905 > 137 138 La 0.62720694984910 0.20415537683357 0.97756285717581 138.905 > 137 139 La 0.12720694984910 0.70415537683357 0.97756285717581 138.905 > 137 140 La 0.62720694984910 0.70415537683357 0.97756285717581 138.905 > 137 141 La 0.12720694984910 0.04584462316643 0.47756285717581 138.905 > 141 142 La 0.62720694984910 0.04584462316643 0.47756285717581 138.905 > 141 143 La 0.12720694984910 0.54584462316643 0.47756285717581 138.905 > 141 144 La 0.62720694984910 0.54584462316643 0.47756285717581 138.905 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 4.8541364 0.0000000 0.0192415 0.0000000 4.6908151 0.0000000 0.0192463 0.0000000 4.7936230 -------------------------- Born effective charges -------------------------- 1 Be 1.8602380 0.0987190 0.0544754 0.0209873 1.8482374 0.0109211 0.0394114 0.0146337 1.6958011 2 Be 1.8602380 -0.0987190 0.0544754 -0.0209873 1.8482374 -0.0109211 0.0394114 -0.0146337 1.6958011 3 Be 1.8602380 0.0987190 0.0544754 0.0209873 1.8482374 0.0109211 0.0394114 0.0146337 1.6958011 4 Be 1.8602380 -0.0987190 0.0544754 -0.0209873 1.8482374 -0.0109211 0.0394114 -0.0146337 1.6958011 5 O -2.4219560 -0.0179344 0.0171475 -0.0669069 -2.6501434 0.0764987 0.0822881 0.0603150 -2.6172301 6 O -2.5267443 -0.0581239 -0.0308680 0.0092174 -2.4338519 0.0055609 -0.0152235 -0.0928878 -2.6354021 7 O -2.5267443 0.0581239 -0.0308680 -0.0092174 -2.4338519 -0.0055609 -0.0152235 0.0928878 -2.6354021 8 O -2.5267443 -0.0581239 -0.0308680 0.0092174 -2.4338519 0.0055609 -0.0152235 -0.0928878 -2.6354021 9 O -2.5267443 0.0581239 -0.0308680 -0.0092174 -2.4338519 -0.0055609 -0.0152235 0.0928878 -2.6354021 10 O -2.4219560 -0.0179344 0.0171475 -0.0669069 -2.6501434 0.0764987 0.0822881 0.0603150 -2.6172301 11 O -2.4219560 0.0179344 0.0171475 0.0669069 -2.6501434 -0.0764987 0.0822881 -0.0603150 -2.6172301 12 O -2.9599972 0.0073245 -0.0434366 0.0759989 -2.3477697 0.0864475 -0.1189455 0.0986740 -2.1401763 13 O -2.4219560 0.0179344 0.0171475 0.0669069 -2.6501434 -0.0764987 0.0822881 -0.0603150 -2.6172301 14 O -2.5621532 -0.0296383 -0.1380910 -0.0562614 -2.6935016 0.1062200 -0.1843617 0.1716841 -2.8394138 15 O -2.5621532 0.0296383 -0.1380910 0.0562614 -2.6935016 -0.1062200 -0.1843617 -0.1716841 -2.8394138 16 O -2.5621532 -0.0296383 -0.1380910 -0.0562614 -2.6935016 0.1062200 -0.1843617 0.1716841 -2.8394138 17 O -2.9599972 0.0073245 -0.0434366 0.0759989 -2.3477697 0.0864475 -0.1189455 0.0986740 -2.1401763 18 O -2.9599972 -0.0073245 -0.0434366 -0.0759989 -2.3477697 -0.0864475 -0.1189455 -0.0986740 -2.1401763 19 O -2.7260508 -0.0409170 0.0690153 -0.0962074 -2.3807491 0.0961218 0.1294348 0.1255348 -2.2721802 20 O -2.9599972 -0.0073245 -0.0434366 -0.0759989 -2.3477697 -0.0864475 -0.1189455 -0.0986740 -2.1401763 21 O -2.7260508 0.0409170 0.0690153 0.0962074 -2.3807491 -0.0961218 0.1294348 -0.1255348 -2.2721802 22 O -2.7260508 0.0409170 0.0690153 0.0962074 -2.3807491 -0.0961218 0.1294348 -0.1255348 -2.2721802 23 O -2.7260508 -0.0409170 0.0690153 -0.0962074 -2.3807491 0.0961218 0.1294348 0.1255348 -2.2721802 24 O -2.5621532 0.0296383 -0.1380910 0.0562614 -2.6935016 -0.1062200 -0.1843617 -0.1716841 -2.8394138 25 Ba 3.0801516 0.0553034 -0.0419400 0.0565884 2.5147235 -0.0492316 -0.0573133 -0.0783464 2.6895538 26 Ba 3.0801516 -0.0553034 -0.0419400 -0.0565884 2.5147235 0.0492316 -0.0573133 0.0783464 2.6895538 27 Ba 3.0801516 -0.0553034 -0.0419400 -0.0565884 2.5147235 0.0492316 -0.0573133 0.0783464 2.6895538 28 Ba 3.0801516 0.0553034 -0.0419400 0.0565884 2.5147235 -0.0492316 -0.0573133 -0.0783464 2.6895538 29 La 4.3211372 -0.0705312 0.0091595 -0.0370812 4.0297305 -0.1099318 -0.0445371 -0.0280278 4.0518934 30 La 3.9353747 0.0526130 0.1045379 0.1048059 4.1133243 -0.0947226 0.1692470 -0.0350586 4.0671543 31 La 3.9353747 -0.0526130 0.1045379 -0.1048059 4.1133243 0.0947226 0.1692470 0.0350586 4.0671543 32 La 3.9353747 0.0526130 0.1045379 0.1048059 4.1133243 -0.0947226 0.1692470 -0.0350586 4.0671543 33 La 3.9353747 -0.0526130 0.1045379 -0.1048059 4.1133243 0.0947226 0.1692470 0.0350586 4.0671543 34 La 4.3211372 0.0705312 0.0091595 0.0370812 4.0297305 0.1099318 -0.0445371 0.0280278 4.0518934 35 La 4.3211372 -0.0705312 0.0091595 -0.0370812 4.0297305 -0.1099318 -0.0445371 -0.0280278 4.0518934 36 La 4.3211372 0.0705312 0.0091595 0.0370812 4.0297305 0.1099318 -0.0445371 0.0280278 4.0518934 ---------------------------------------------------------------------------- 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] [-0.0001 0.0000 0.0100] [ 0.0001 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 21, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 53, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 97, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 113, 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] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Computing fc3[ 117, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0001 0.0000 0.0100] [ 0.0001 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000001 (yz) 0.00000001 (yz) 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 04:32:01]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 04:32:01]------------------------- Compiled with OpenMP support (max 32 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 2 1] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 7.468050010007636 0.000000000000000 0.000000000000000 b 0.000000000000000 6.762959140000000 0.000000000000000 c -0.120569530502699 0.000000000000000 9.838877987584517 Atomic positions (fractional): 1 Be 0.74056128862547 0.19225044707176 0.90266455633767 9.012 2 Be 0.25943871137453 0.69225044707176 0.59733544366233 9.012 3 Be 0.25943871137453 0.80774955292824 0.09733544366233 9.012 4 Be 0.74056128862547 0.30774955292824 0.40266455633767 9.012 5 O 0.27605300871712 0.63086975007757 0.76728506621510 15.999 6 O 0.72377859925902 0.98197651245775 0.98939309559157 15.999 7 O 0.27622140074098 0.48197651245775 0.51060690440843 15.999 8 O 0.27622140074098 0.01802348754225 0.01060690440843 15.999 9 O 0.72377859925902 0.51802348754225 0.48939309559157 15.999 10 O 0.72394699128288 0.36913024992243 0.23271493378490 15.999 11 O 0.27605300871712 0.86913024992243 0.26728506621510 15.999 12 O 0.93134602544729 0.19371028938020 0.43727353688137 15.999 13 O 0.72394699128288 0.13086975007757 0.73271493378490 15.999 14 O 0.71717768217288 0.83491630219699 0.28366318039840 15.999 15 O 0.28282231782713 0.33491630219699 0.21633681960160 15.999 16 O 0.28282231782713 0.16508369780301 0.71633681960160 15.999 17 O 0.06865397455271 0.80628971061980 0.56272646311863 15.999 18 O 0.93134602544729 0.30628971061980 0.93727353688137 15.999 19 O 0.55971842609337 0.18155762773581 0.43519047375358 15.999 20 O 0.06865397455271 0.69371028938020 0.06272646311863 15.999 21 O 0.55971842609337 0.31844237226419 0.93519047375358 15.999 22 O 0.44028157390663 0.68155762773581 0.06480952624642 15.999 23 O 0.44028157390663 0.81844237226419 0.56480952624642 15.999 24 O 0.71717768217288 0.66508369780301 0.78366318039840 15.999 25 Ba 0.98028195155943 0.41765431393409 0.67256063841208 137.327 26 Ba 0.98028195155943 0.08234568606591 0.17256063841208 137.327 27 Ba 0.01971804844057 0.91765431393409 0.82743936158792 137.327 28 Ba 0.01971804844057 0.58234568606591 0.32743936158792 137.327 29 La 0.74558610030181 0.59168924633286 0.02243714282419 138.905 30 La 0.47671760654884 0.58321439839400 0.32441574480819 138.905 31 La 0.52328239345116 0.08321439839400 0.17558425519182 138.905 32 La 0.52328239345116 0.41678560160600 0.67558425519181 138.905 33 La 0.47671760654884 0.91678560160600 0.82441574480819 138.905 34 La 0.74558610030181 0.90831075366714 0.52243714282419 138.905 35 La 0.25441389969819 0.40831075366714 0.97756285717581 138.905 36 La 0.25441389969819 0.09168924633286 0.47756285717581 138.905 -------------------------------- supercell --------------------------------- Lattice vectors: a 14.936100020015273 0.000000000000000 0.000000000000000 b 0.000000000000000 13.525918280000001 0.000000000000000 c -0.120569530502699 0.000000000000000 9.838877987584517 Atomic positions (fractional): 1 Be 0.37028064431273 0.09612522353588 0.90266455633767 9.012 > 1 2 Be 0.87028064431273 0.09612522353588 0.90266455633767 9.012 > 1 3 Be 0.37028064431273 0.59612522353588 0.90266455633767 9.012 > 1 4 Be 0.87028064431273 0.59612522353588 0.90266455633767 9.012 > 1 5 Be 0.12971935568727 0.34612522353588 0.59733544366233 9.012 > 5 6 Be 0.62971935568727 0.34612522353588 0.59733544366233 9.012 > 5 7 Be 0.12971935568727 0.84612522353588 0.59733544366233 9.012 > 5 8 Be 0.62971935568727 0.84612522353588 0.59733544366233 9.012 > 5 9 Be 0.12971935568727 0.40387477646412 0.09733544366233 9.012 > 9 10 Be 0.62971935568727 0.40387477646412 0.09733544366233 9.012 > 9 11 Be 0.12971935568727 0.90387477646412 0.09733544366233 9.012 > 9 12 Be 0.62971935568727 0.90387477646412 0.09733544366233 9.012 > 9 13 Be 0.37028064431273 0.15387477646412 0.40266455633767 9.012 > 13 14 Be 0.87028064431273 0.15387477646412 0.40266455633767 9.012 > 13 15 Be 0.37028064431273 0.65387477646412 0.40266455633767 9.012 > 13 16 Be 0.87028064431273 0.65387477646412 0.40266455633767 9.012 > 13 17 O 0.13802650435856 0.31543487503879 0.76728506621510 15.999 > 17 18 O 0.63802650435856 0.31543487503879 0.76728506621510 15.999 > 17 19 O 0.13802650435856 0.81543487503879 0.76728506621510 15.999 > 17 20 O 0.63802650435856 0.81543487503879 0.76728506621510 15.999 > 17 21 O 0.36188929962951 0.49098825622887 0.98939309559157 15.999 > 21 22 O 0.86188929962951 0.49098825622887 0.98939309559157 15.999 > 21 23 O 0.36188929962951 0.99098825622887 0.98939309559157 15.999 > 21 24 O 0.86188929962951 0.99098825622887 0.98939309559157 15.999 > 21 25 O 0.13811070037049 0.24098825622887 0.51060690440843 15.999 > 25 26 O 0.63811070037049 0.24098825622887 0.51060690440843 15.999 > 25 27 O 0.13811070037049 0.74098825622887 0.51060690440843 15.999 > 25 28 O 0.63811070037049 0.74098825622887 0.51060690440843 15.999 > 25 29 O 0.13811070037049 0.00901174377112 0.01060690440843 15.999 > 29 30 O 0.63811070037049 0.00901174377112 0.01060690440843 15.999 > 29 31 O 0.13811070037049 0.50901174377113 0.01060690440843 15.999 > 29 32 O 0.63811070037049 0.50901174377113 0.01060690440843 15.999 > 29 33 O 0.36188929962951 0.25901174377113 0.48939309559157 15.999 > 33 34 O 0.86188929962951 0.25901174377113 0.48939309559157 15.999 > 33 35 O 0.36188929962951 0.75901174377113 0.48939309559157 15.999 > 33 36 O 0.86188929962951 0.75901174377113 0.48939309559157 15.999 > 33 37 O 0.36197349564144 0.18456512496121 0.23271493378490 15.999 > 37 38 O 0.86197349564144 0.18456512496121 0.23271493378490 15.999 > 37 39 O 0.36197349564144 0.68456512496121 0.23271493378490 15.999 > 37 40 O 0.86197349564144 0.68456512496121 0.23271493378490 15.999 > 37 41 O 0.13802650435856 0.43456512496121 0.26728506621510 15.999 > 41 42 O 0.63802650435856 0.43456512496121 0.26728506621510 15.999 > 41 43 O 0.13802650435856 0.93456512496121 0.26728506621510 15.999 > 41 44 O 0.63802650435856 0.93456512496121 0.26728506621510 15.999 > 41 45 O 0.46567301272365 0.09685514469010 0.43727353688137 15.999 > 45 46 O 0.96567301272365 0.09685514469010 0.43727353688137 15.999 > 45 47 O 0.46567301272365 0.59685514469010 0.43727353688137 15.999 > 45 48 O 0.96567301272365 0.59685514469010 0.43727353688137 15.999 > 45 49 O 0.36197349564144 0.06543487503879 0.73271493378490 15.999 > 49 50 O 0.86197349564144 0.06543487503879 0.73271493378490 15.999 > 49 51 O 0.36197349564144 0.56543487503879 0.73271493378490 15.999 > 49 52 O 0.86197349564144 0.56543487503879 0.73271493378490 15.999 > 49 53 O 0.35858884108644 0.41745815109850 0.28366318039840 15.999 > 53 54 O 0.85858884108644 0.41745815109850 0.28366318039840 15.999 > 53 55 O 0.35858884108644 0.91745815109850 0.28366318039840 15.999 > 53 56 O 0.85858884108644 0.91745815109850 0.28366318039840 15.999 > 53 57 O 0.14141115891356 0.16745815109850 0.21633681960160 15.999 > 57 58 O 0.64141115891356 0.16745815109850 0.21633681960160 15.999 > 57 59 O 0.14141115891356 0.66745815109850 0.21633681960160 15.999 > 57 60 O 0.64141115891356 0.66745815109850 0.21633681960160 15.999 > 57 61 O 0.14141115891356 0.08254184890150 0.71633681960160 15.999 > 61 62 O 0.64141115891356 0.08254184890150 0.71633681960160 15.999 > 61 63 O 0.14141115891356 0.58254184890150 0.71633681960160 15.999 > 61 64 O 0.64141115891356 0.58254184890150 0.71633681960160 15.999 > 61 65 O 0.03432698727635 0.40314485530990 0.56272646311863 15.999 > 65 66 O 0.53432698727635 0.40314485530990 0.56272646311863 15.999 > 65 67 O 0.03432698727635 0.90314485530990 0.56272646311863 15.999 > 65 68 O 0.53432698727635 0.90314485530990 0.56272646311863 15.999 > 65 69 O 0.46567301272365 0.15314485530990 0.93727353688137 15.999 > 69 70 O 0.96567301272365 0.15314485530990 0.93727353688137 15.999 > 69 71 O 0.46567301272365 0.65314485530990 0.93727353688137 15.999 > 69 72 O 0.96567301272365 0.65314485530990 0.93727353688137 15.999 > 69 73 O 0.27985921304669 0.09077881386790 0.43519047375358 15.999 > 73 74 O 0.77985921304669 0.09077881386790 0.43519047375358 15.999 > 73 75 O 0.27985921304669 0.59077881386790 0.43519047375358 15.999 > 73 76 O 0.77985921304669 0.59077881386790 0.43519047375358 15.999 > 73 77 O 0.03432698727635 0.34685514469010 0.06272646311863 15.999 > 77 78 O 0.53432698727635 0.34685514469010 0.06272646311863 15.999 > 77 79 O 0.03432698727635 0.84685514469010 0.06272646311863 15.999 > 77 80 O 0.53432698727635 0.84685514469010 0.06272646311863 15.999 > 77 81 O 0.27985921304669 0.15922118613210 0.93519047375358 15.999 > 81 82 O 0.77985921304669 0.15922118613210 0.93519047375358 15.999 > 81 83 O 0.27985921304669 0.65922118613210 0.93519047375358 15.999 > 81 84 O 0.77985921304669 0.65922118613210 0.93519047375358 15.999 > 81 85 O 0.22014078695331 0.34077881386790 0.06480952624642 15.999 > 85 86 O 0.72014078695331 0.34077881386790 0.06480952624642 15.999 > 85 87 O 0.22014078695331 0.84077881386790 0.06480952624642 15.999 > 85 88 O 0.72014078695331 0.84077881386790 0.06480952624642 15.999 > 85 89 O 0.22014078695331 0.40922118613210 0.56480952624642 15.999 > 89 90 O 0.72014078695331 0.40922118613210 0.56480952624642 15.999 > 89 91 O 0.22014078695331 0.90922118613210 0.56480952624642 15.999 > 89 92 O 0.72014078695331 0.90922118613210 0.56480952624642 15.999 > 89 93 O 0.35858884108644 0.33254184890150 0.78366318039840 15.999 > 93 94 O 0.85858884108644 0.33254184890150 0.78366318039840 15.999 > 93 95 O 0.35858884108644 0.83254184890150 0.78366318039840 15.999 > 93 96 O 0.85858884108644 0.83254184890150 0.78366318039840 15.999 > 93 97 Ba 0.49014097577972 0.20882715696705 0.67256063841208 137.327 > 97 98 Ba 0.99014097577972 0.20882715696705 0.67256063841208 137.327 > 97 99 Ba 0.49014097577972 0.70882715696705 0.67256063841208 137.327 > 97 100 Ba 0.99014097577972 0.70882715696705 0.67256063841208 137.327 > 97 101 Ba 0.49014097577972 0.04117284303295 0.17256063841208 137.327 > 101 102 Ba 0.99014097577972 0.04117284303295 0.17256063841208 137.327 > 101 103 Ba 0.49014097577972 0.54117284303295 0.17256063841208 137.327 > 101 104 Ba 0.99014097577972 0.54117284303295 0.17256063841208 137.327 > 101 105 Ba 0.00985902422028 0.45882715696705 0.82743936158792 137.327 > 105 106 Ba 0.50985902422028 0.45882715696705 0.82743936158792 137.327 > 105 107 Ba 0.00985902422028 0.95882715696705 0.82743936158792 137.327 > 105 108 Ba 0.50985902422028 0.95882715696705 0.82743936158792 137.327 > 105 109 Ba 0.00985902422028 0.29117284303295 0.32743936158792 137.327 > 109 110 Ba 0.50985902422028 0.29117284303295 0.32743936158792 137.327 > 109 111 Ba 0.00985902422028 0.79117284303295 0.32743936158792 137.327 > 109 112 Ba 0.50985902422028 0.79117284303295 0.32743936158792 137.327 > 109 113 La 0.37279305015090 0.29584462316643 0.02243714282419 138.905 > 113 114 La 0.87279305015090 0.29584462316643 0.02243714282419 138.905 > 113 115 La 0.37279305015090 0.79584462316643 0.02243714282419 138.905 > 113 116 La 0.87279305015090 0.79584462316643 0.02243714282419 138.905 > 113 117 La 0.23835880327442 0.29160719919700 0.32441574480819 138.905 > 117 118 La 0.73835880327442 0.29160719919700 0.32441574480819 138.905 > 117 119 La 0.23835880327442 0.79160719919700 0.32441574480819 138.905 > 117 120 La 0.73835880327442 0.79160719919700 0.32441574480819 138.905 > 117 121 La 0.26164119672558 0.04160719919700 0.17558425519182 138.905 > 121 122 La 0.76164119672558 0.04160719919700 0.17558425519182 138.905 > 121 123 La 0.26164119672558 0.54160719919700 0.17558425519182 138.905 > 121 124 La 0.76164119672558 0.54160719919700 0.17558425519182 138.905 > 121 125 La 0.26164119672558 0.20839280080300 0.67558425519181 138.905 > 125 126 La 0.76164119672558 0.20839280080300 0.67558425519181 138.905 > 125 127 La 0.26164119672558 0.70839280080300 0.67558425519181 138.905 > 125 128 La 0.76164119672558 0.70839280080300 0.67558425519181 138.905 > 125 129 La 0.23835880327442 0.45839280080300 0.82441574480819 138.905 > 129 130 La 0.73835880327442 0.45839280080300 0.82441574480819 138.905 > 129 131 La 0.23835880327442 0.95839280080300 0.82441574480819 138.905 > 129 132 La 0.73835880327442 0.95839280080300 0.82441574480819 138.905 > 129 133 La 0.37279305015090 0.45415537683357 0.52243714282419 138.905 > 133 134 La 0.87279305015090 0.45415537683357 0.52243714282419 138.905 > 133 135 La 0.37279305015090 0.95415537683357 0.52243714282419 138.905 > 133 136 La 0.87279305015090 0.95415537683357 0.52243714282419 138.905 > 133 137 La 0.12720694984910 0.20415537683357 0.97756285717581 138.905 > 137 138 La 0.62720694984910 0.20415537683357 0.97756285717581 138.905 > 137 139 La 0.12720694984910 0.70415537683357 0.97756285717581 138.905 > 137 140 La 0.62720694984910 0.70415537683357 0.97756285717581 138.905 > 137 141 La 0.12720694984910 0.04584462316643 0.47756285717581 138.905 > 141 142 La 0.62720694984910 0.04584462316643 0.47756285717581 138.905 > 141 143 La 0.12720694984910 0.54584462316643 0.47756285717581 138.905 > 141 144 La 0.62720694984910 0.54584462316643 0.47756285717581 138.905 > 141 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 4.8541364 0.0000000 0.0192415 0.0000000 4.6908151 0.0000000 0.0192463 0.0000000 4.7936230 -------------------------- Born effective charges -------------------------- 1 Be 1.8602380 0.0987190 0.0544754 0.0209873 1.8482374 0.0109211 0.0394114 0.0146337 1.6958011 2 Be 1.8602380 -0.0987190 0.0544754 -0.0209873 1.8482374 -0.0109211 0.0394114 -0.0146337 1.6958011 3 Be 1.8602380 0.0987190 0.0544754 0.0209873 1.8482374 0.0109211 0.0394114 0.0146337 1.6958011 4 Be 1.8602380 -0.0987190 0.0544754 -0.0209873 1.8482374 -0.0109211 0.0394114 -0.0146337 1.6958011 5 O -2.4219560 -0.0179344 0.0171475 -0.0669069 -2.6501434 0.0764987 0.0822881 0.0603150 -2.6172301 6 O -2.5267443 -0.0581239 -0.0308680 0.0092174 -2.4338519 0.0055609 -0.0152235 -0.0928878 -2.6354021 7 O -2.5267443 0.0581239 -0.0308680 -0.0092174 -2.4338519 -0.0055609 -0.0152235 0.0928878 -2.6354021 8 O -2.5267443 -0.0581239 -0.0308680 0.0092174 -2.4338519 0.0055609 -0.0152235 -0.0928878 -2.6354021 9 O -2.5267443 0.0581239 -0.0308680 -0.0092174 -2.4338519 -0.0055609 -0.0152235 0.0928878 -2.6354021 10 O -2.4219560 -0.0179344 0.0171475 -0.0669069 -2.6501434 0.0764987 0.0822881 0.0603150 -2.6172301 11 O -2.4219560 0.0179344 0.0171475 0.0669069 -2.6501434 -0.0764987 0.0822881 -0.0603150 -2.6172301 12 O -2.9599972 0.0073245 -0.0434366 0.0759989 -2.3477697 0.0864475 -0.1189455 0.0986740 -2.1401763 13 O -2.4219560 0.0179344 0.0171475 0.0669069 -2.6501434 -0.0764987 0.0822881 -0.0603150 -2.6172301 14 O -2.5621532 -0.0296383 -0.1380910 -0.0562614 -2.6935016 0.1062200 -0.1843617 0.1716841 -2.8394138 15 O -2.5621532 0.0296383 -0.1380910 0.0562614 -2.6935016 -0.1062200 -0.1843617 -0.1716841 -2.8394138 16 O -2.5621532 -0.0296383 -0.1380910 -0.0562614 -2.6935016 0.1062200 -0.1843617 0.1716841 -2.8394138 17 O -2.9599972 0.0073245 -0.0434366 0.0759989 -2.3477697 0.0864475 -0.1189455 0.0986740 -2.1401763 18 O -2.9599972 -0.0073245 -0.0434366 -0.0759989 -2.3477697 -0.0864475 -0.1189455 -0.0986740 -2.1401763 19 O -2.7260508 -0.0409170 0.0690153 -0.0962074 -2.3807491 0.0961218 0.1294348 0.1255348 -2.2721802 20 O -2.9599972 -0.0073245 -0.0434366 -0.0759989 -2.3477697 -0.0864475 -0.1189455 -0.0986740 -2.1401763 21 O -2.7260508 0.0409170 0.0690153 0.0962074 -2.3807491 -0.0961218 0.1294348 -0.1255348 -2.2721802 22 O -2.7260508 0.0409170 0.0690153 0.0962074 -2.3807491 -0.0961218 0.1294348 -0.1255348 -2.2721802 23 O -2.7260508 -0.0409170 0.0690153 -0.0962074 -2.3807491 0.0961218 0.1294348 0.1255348 -2.2721802 24 O -2.5621532 0.0296383 -0.1380910 0.0562614 -2.6935016 -0.1062200 -0.1843617 -0.1716841 -2.8394138 25 Ba 3.0801516 0.0553034 -0.0419400 0.0565884 2.5147235 -0.0492316 -0.0573133 -0.0783464 2.6895538 26 Ba 3.0801516 -0.0553034 -0.0419400 -0.0565884 2.5147235 0.0492316 -0.0573133 0.0783464 2.6895538 27 Ba 3.0801516 -0.0553034 -0.0419400 -0.0565884 2.5147235 0.0492316 -0.0573133 0.0783464 2.6895538 28 Ba 3.0801516 0.0553034 -0.0419400 0.0565884 2.5147235 -0.0492316 -0.0573133 -0.0783464 2.6895538 29 La 4.3211372 -0.0705312 0.0091595 -0.0370812 4.0297305 -0.1099318 -0.0445371 -0.0280278 4.0518934 30 La 3.9353747 0.0526130 0.1045379 0.1048059 4.1133243 -0.0947226 0.1692470 -0.0350586 4.0671543 31 La 3.9353747 -0.0526130 0.1045379 -0.1048059 4.1133243 0.0947226 0.1692470 0.0350586 4.0671543 32 La 3.9353747 0.0526130 0.1045379 0.1048059 4.1133243 -0.0947226 0.1692470 -0.0350586 4.0671543 33 La 3.9353747 -0.0526130 0.1045379 -0.1048059 4.1133243 0.0947226 0.1692470 0.0350586 4.0671543 34 La 4.3211372 0.0705312 0.0091595 0.0370812 4.0297305 0.1099318 -0.0445371 0.0280278 4.0518934 35 La 4.3211372 -0.0705312 0.0091595 -0.0370812 4.0297305 -0.1099318 -0.0445371 -0.0280278 4.0518934 36 La 4.3211372 0.0705312 0.0091595 0.0370812 4.0297305 0.1099318 -0.0445371 0.0280278 4.0518934 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (xxx) -0.00000001 (xxx) -0.00000001 (xxx) Max drift of fc2: -0.00000000 (zz) -0.00000000 (zz) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 7 7 5 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.52, Number of G-points: 305, Lambda: 0.12 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/72) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 2.360 ( 0.000 0.000 0.000) 0.000 2.424 ( 0.000 0.000 0.000) 0.000 2.529 ( 0.000 0.000 0.000) 0.000 2.599 ( 0.000 0.000 0.000) 0.000 2.675 ( 0.000 0.000 0.000) 0.000 2.759 ( 0.000 0.000 0.000) 0.000 2.791 ( 0.000 0.000 0.000) 0.000 2.873 ( 0.000 0.000 0.000) 0.000 3.014 ( 0.000 0.000 0.000) 0.000 3.066 ( 0.000 0.000 0.000) 0.000 3.141 ( 0.000 0.000 0.000) 0.000 3.144 ( 0.000 0.000 0.000) 0.000 3.406 ( 0.000 0.000 0.000) 0.000 3.570 ( 0.000 0.000 0.000) 0.000 3.596 ( 0.000 0.000 0.000) 0.000 3.702 ( 0.000 0.000 0.000) 0.000 3.732 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 0.000 0.000) 0.000 3.778 ( 0.000 0.000 0.000) 0.000 3.934 ( 0.000 0.000 0.000) 0.000 4.071 ( 0.000 0.000 0.000) 0.000 4.123 ( 0.000 0.000 0.000) 0.000 4.153 ( 0.000 0.000 0.000) 0.000 4.345 ( 0.000 0.000 0.000) 0.000 4.405 ( 0.000 0.000 0.000) 0.000 4.722 ( 0.000 0.000 0.000) 0.000 4.858 ( 0.000 0.000 0.000) 0.000 4.875 ( 0.000 0.000 0.000) 0.000 4.885 ( 0.000 0.000 0.000) 0.000 4.983 ( 0.000 0.000 0.000) 0.000 5.382 ( 0.000 0.000 0.000) 0.000 5.443 ( 0.000 0.000 0.000) 0.000 5.810 ( 0.000 0.000 0.000) 0.000 5.911 ( 0.000 0.000 0.000) 0.000 6.003 ( 0.000 0.000 0.000) 0.000 6.021 ( 0.000 0.000 0.000) 0.000 6.194 ( 0.000 0.000 0.000) 0.000 6.582 ( 0.000 0.000 0.000) 0.000 6.805 ( 0.000 0.000 0.000) 0.000 6.834 ( 0.000 0.000 0.000) 0.000 6.958 ( 0.000 0.000 0.000) 0.000 7.180 ( 0.000 0.000 0.000) 0.000 7.328 ( 0.000 0.000 0.000) 0.000 7.404 ( 0.000 0.000 0.000) 0.000 7.586 ( 0.000 0.000 0.000) 0.000 7.696 ( 0.000 0.000 0.000) 0.000 7.823 ( 0.000 0.000 0.000) 0.000 7.825 ( 0.000 0.000 0.000) 0.000 7.901 ( 0.000 0.000 0.000) 0.000 7.958 ( 0.000 0.000 0.000) 0.000 7.996 ( 0.000 0.000 0.000) 0.000 8.085 ( 0.000 0.000 0.000) 0.000 8.111 ( 0.000 0.000 0.000) 0.000 8.145 ( 0.000 0.000 0.000) 0.000 8.486 ( 0.000 0.000 0.000) 0.000 8.750 ( 0.000 0.000 0.000) 0.000 8.762 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 8.863 ( 0.000 0.000 0.000) 0.000 8.878 ( 0.000 0.000 0.000) 0.000 9.088 ( 0.000 0.000 0.000) 0.000 9.228 ( 0.000 0.000 0.000) 0.000 9.284 ( 0.000 0.000 0.000) 0.000 9.448 ( 0.000 0.000 0.000) 0.000 9.912 ( 0.000 0.000 0.000) 0.000 10.083 ( 0.000 0.000 0.000) 0.000 10.401 ( 0.000 0.000 0.000) 0.000 10.456 ( 0.000 0.000 0.000) 0.000 10.692 ( 0.000 0.000 0.000) 0.000 10.730 ( 0.000 0.000 0.000) 0.000 10.808 ( 0.000 0.000 0.000) 0.000 11.244 ( 0.000 0.000 0.000) 0.000 11.414 ( 0.000 0.000 0.000) 0.000 11.869 ( 0.000 0.000 0.000) 0.000 12.087 ( 0.000 0.000 0.000) 0.000 12.249 ( 0.000 0.000 0.000) 0.000 12.825 ( 0.000 0.000 0.000) 0.000 13.031 ( 0.000 0.000 0.000) 0.000 13.323 ( 0.000 0.000 0.000) 0.000 13.354 ( 0.000 0.000 0.000) 0.000 13.389 ( 0.000 0.000 0.000) 0.000 13.834 ( 0.000 0.000 0.000) 0.000 13.985 ( 0.000 0.000 0.000) 0.000 14.308 ( 0.000 0.000 0.000) 0.000 14.371 ( 0.000 0.000 0.000) 0.000 14.432 ( 0.000 0.000 0.000) 0.000 15.001 ( 0.000 0.000 0.000) 0.000 15.041 ( 0.000 0.000 0.000) 0.000 15.505 ( 0.000 0.000 0.000) 0.000 17.120 ( 0.000 0.000 0.000) 0.000 17.123 ( 0.000 0.000 0.000) 0.000 17.676 ( 0.000 0.000 0.000) 0.000 18.054 ( 0.000 0.000 0.000) 0.000 18.654 ( 0.000 0.000 0.000) 0.000 18.937 ( 0.000 0.000 0.000) 0.000 19.800 ( 0.000 0.000 0.000) 0.000 19.828 ( 0.000 0.000 0.000) 0.000 21.678 ( 0.000 0.000 0.000) 0.000 21.742 ( 0.000 0.000 0.000) 0.000 21.951 ( 0.000 0.000 0.000) 0.000 22.205 ( 0.000 0.000 0.000) 0.000 22.497 ( 0.000 0.000 0.000) 0.000 22.507 ( 0.000 0.000 0.000) 0.000 22.954 ( 0.000 0.000 0.000) 0.000 23.145 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/72) ======================= q-point: ( 0.14 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.592 ( 30.568 0.000 5.044) 30.982 0.624 ( 31.956 0.000 0.639) 31.962 1.142 ( 58.301 0.000 -1.162) 58.312 2.355 ( -1.494 0.000 3.764) 4.050 2.404 ( -1.604 0.000 -1.332) 2.085 2.494 ( -2.080 0.000 -8.569) 8.818 2.547 ( -8.663 0.000 0.728) 8.693 2.701 ( 7.947 0.000 11.309) 13.822 2.707 ( -4.561 0.000 1.250) 4.729 2.819 ( 1.753 0.000 -2.504) 3.057 2.945 ( 5.464 0.000 -1.871) 5.776 2.977 ( -9.654 0.000 -1.506) 9.771 3.083 ( 4.650 0.000 5.846) 7.470 3.176 ( 3.747 0.000 -6.149) 7.201 3.187 ( 4.399 0.000 0.131) 4.401 3.361 ( -3.413 0.000 -0.247) 3.422 3.452 ( -7.538 0.000 -2.115) 7.829 3.511 ( -4.760 0.000 -3.506) 5.911 3.732 ( 1.424 0.000 1.434) 2.021 3.769 ( -0.865 0.000 -6.436) 6.494 3.858 ( 9.206 0.000 3.392) 9.811 3.872 ( 6.618 0.000 -7.292) 9.848 3.980 ( 3.123 0.000 0.469) 3.158 4.069 ( -2.041 0.000 2.228) 3.021 4.188 ( 2.295 0.000 5.019) 5.519 4.195 ( 6.832 0.000 4.191) 8.015 4.379 ( 3.236 0.000 -3.845) 5.025 4.418 ( 1.889 0.000 1.373) 2.335 4.685 ( -2.575 0.000 3.416) 4.278 4.786 ( -5.780 0.000 0.319) 5.789 4.881 ( -1.251 0.000 5.163) 5.312 4.912 ( -0.563 0.000 -9.355) 9.372 4.967 ( 0.113 0.000 -4.145) 4.146 5.363 ( -1.587 0.000 -4.090) 4.387 5.466 ( -12.322 0.000 -0.129) 12.323 5.801 ( -1.137 0.000 2.469) 2.719 5.908 ( -0.265 0.000 1.089) 1.121 6.015 ( -0.467 0.000 -2.633) 2.674 6.017 ( -0.434 0.000 7.805) 7.817 6.174 ( -1.816 0.000 0.647) 1.927 6.557 ( -1.312 0.000 0.641) 1.460 6.858 ( 4.489 0.000 0.252) 4.496 6.866 ( -1.114 0.000 -3.524) 3.695 7.153 ( -2.815 0.000 -6.689) 7.258 7.345 ( 1.258 0.000 1.813) 2.207 7.359 ( -3.929 0.000 1.099) 4.080 7.435 ( -0.523 0.000 -3.971) 4.005 7.594 ( -3.290 0.000 -2.791) 4.314 7.730 ( 6.592 0.000 5.425) 8.537 7.814 ( 0.109 0.000 0.861) 0.868 7.896 ( 4.334 0.000 -0.719) 4.393 7.947 ( -4.601 0.000 -1.778) 4.932 7.987 ( 2.565 0.000 4.166) 4.893 8.058 ( -2.965 0.000 1.681) 3.408 8.132 ( 0.215 0.000 4.785) 4.790 8.165 ( 5.244 0.000 -4.907) 7.182 8.405 ( -6.141 0.000 -3.392) 7.016 8.597 ( -3.354 0.000 -0.844) 3.459 8.736 ( -1.765 0.000 -2.839) 3.343 8.853 ( -1.227 0.000 -0.226) 1.248 8.930 ( 4.640 0.000 0.018) 4.640 8.957 ( 8.034 0.000 2.873) 8.532 9.146 ( 5.344 0.000 -1.781) 5.633 9.191 ( -0.729 0.000 0.273) 0.779 9.345 ( 3.948 0.000 2.947) 4.927 9.470 ( 2.015 0.000 -1.746) 2.666 9.909 ( -0.408 0.000 6.988) 7.000 10.048 ( -1.914 0.000 2.710) 3.317 10.396 ( -1.470 0.000 -9.156) 9.274 10.484 ( 7.602 0.000 -7.706) 10.825 10.688 ( -1.122 0.000 1.493) 1.868 10.791 ( -1.629 0.000 -0.667) 1.760 10.825 ( 10.404 0.000 4.879) 11.491 11.254 ( 1.798 0.000 0.020) 1.798 11.385 ( -1.824 0.000 -0.550) 1.905 11.850 ( -1.245 0.000 -0.054) 1.246 12.093 ( 0.802 0.000 -3.328) 3.423 12.306 ( 3.968 0.000 1.976) 4.433 12.773 ( -2.830 0.000 0.725) 2.921 12.910 ( -15.692 0.000 19.539) 25.060 13.052 ( -0.848 0.000 -11.953) 11.983 13.382 ( -1.857 0.000 6.322) 6.589 13.507 ( 17.440 0.000 3.601) 17.808 13.607 ( 17.625 0.000 3.494) 17.968 13.609 ( -11.669 0.000 -0.128) 11.670 14.168 ( 6.990 0.000 -1.654) 7.183 14.206 ( -12.836 0.000 5.895) 14.125 14.300 ( -10.809 0.000 2.963) 11.207 14.478 ( 11.857 0.000 -5.488) 13.065 15.089 ( 2.580 0.000 -2.102) 3.328 15.094 ( 7.579 0.000 0.413) 7.590 15.480 ( -3.941 0.000 -3.603) 5.340 17.075 ( -4.079 0.000 1.111) 4.227 17.128 ( 0.042 0.000 1.834) 1.835 17.663 ( -1.310 0.000 0.552) 1.421 17.991 ( -6.130 0.000 -0.814) 6.183 18.645 ( -0.915 0.000 3.921) 4.027 18.914 ( -2.310 0.000 -0.218) 2.320 19.683 ( -10.300 0.000 6.129) 11.986 19.767 ( -6.397 0.000 -6.378) 9.033 21.698 ( 1.780 0.000 -1.107) 2.096 21.823 ( -5.859 0.000 3.717) 6.939 21.966 ( -0.418 0.000 -2.716) 2.748 22.152 ( -4.483 0.000 0.130) 4.485 22.648 ( 12.401 0.000 2.506) 12.652 23.012 ( 5.813 0.000 -1.014) 5.901 23.253 ( 10.522 0.000 0.315) 10.526 24.313 ( -2.571 0.000 -4.288) 5.000 ======================= Grid point 2 (3/72) ======================= q-point: ( 0.29 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.165 ( 28.920 0.000 5.286) 29.399 1.209 ( 28.733 0.000 0.571) 28.738 2.196 ( 50.150 0.000 -0.838) 50.157 2.275 ( -7.054 0.000 2.345) 7.434 2.366 ( -3.130 0.000 -7.631) 8.248 2.403 ( -5.848 0.000 1.002) 5.933 2.446 ( -2.362 0.000 1.362) 2.726 2.598 ( -6.854 0.000 0.710) 6.891 2.737 ( -13.602 0.000 -1.912) 13.736 2.881 ( 10.103 0.000 7.339) 12.487 2.885 ( 4.974 0.000 0.453) 4.994 3.025 ( 2.635 0.000 -0.713) 2.730 3.150 ( 2.769 0.000 -0.570) 2.828 3.250 ( -1.300 0.000 0.213) 1.317 3.255 ( 1.895 0.000 0.316) 1.921 3.337 ( 3.852 0.000 -0.056) 3.852 3.377 ( 1.660 0.000 -4.474) 4.772 3.472 ( 0.480 0.000 -1.340) 1.424 3.742 ( -1.878 0.000 -10.837) 10.999 3.769 ( 1.981 0.000 0.002) 1.981 3.944 ( -1.665 0.000 -4.795) 5.076 3.964 ( 0.047 0.000 3.530) 3.530 4.015 ( -2.545 0.000 5.140) 5.736 4.025 ( 3.958 0.000 -3.300) 5.153 4.255 ( 4.663 0.000 1.161) 4.805 4.345 ( 7.808 0.000 6.417) 10.107 4.413 ( -0.665 0.000 2.500) 2.587 4.485 ( 3.916 0.000 2.165) 4.474 4.664 ( -1.269 0.000 0.649) 1.425 4.672 ( -5.516 0.000 2.675) 6.131 4.854 ( -1.967 0.000 -3.512) 4.025 4.854 ( -1.225 0.000 2.182) 2.503 4.998 ( 1.395 0.000 -6.586) 6.732 5.150 ( -18.765 0.000 0.384) 18.769 5.341 ( -0.019 0.000 -4.609) 4.609 5.763 ( -2.727 0.000 2.581) 3.755 5.903 ( -0.289 0.000 1.286) 1.318 6.008 ( -0.641 0.000 2.695) 2.770 6.009 ( 0.207 0.000 -3.924) 3.929 6.135 ( -2.189 0.000 1.991) 2.959 6.553 ( 0.609 0.000 0.796) 1.002 6.850 ( -0.240 0.000 -0.930) 0.961 6.954 ( 5.224 0.000 1.950) 5.577 7.068 ( -5.589 0.000 -5.035) 7.523 7.289 ( -2.753 0.000 0.148) 2.757 7.364 ( 1.514 0.000 -0.037) 1.514 7.465 ( -8.683 0.000 0.028) 8.684 7.477 ( 4.401 0.000 -0.140) 4.403 7.793 ( -2.912 0.000 3.931) 4.892 7.831 ( -3.345 0.000 -0.937) 3.473 7.919 ( 7.431 0.000 -1.490) 7.579 7.948 ( -0.538 0.000 1.210) 1.324 7.971 ( -5.737 0.000 2.555) 6.280 8.055 ( 4.437 0.000 3.222) 5.484 8.129 ( 0.114 0.000 0.849) 0.857 8.286 ( 6.977 0.000 -4.733) 8.431 8.316 ( -2.735 0.000 -1.807) 3.278 8.532 ( -2.644 0.000 -0.988) 2.823 8.669 ( -5.023 0.000 -0.935) 5.109 8.817 ( -2.345 0.000 -0.858) 2.497 9.016 ( 3.722 0.000 -0.193) 3.727 9.120 ( 8.178 0.000 3.725) 8.987 9.238 ( 5.176 0.000 3.635) 6.325 9.262 ( 6.238 0.000 -2.267) 6.638 9.419 ( 3.866 0.000 -0.566) 3.907 9.506 ( 1.291 0.000 -3.536) 3.764 9.879 ( -3.659 0.000 5.641) 6.724 10.000 ( -2.979 0.000 1.484) 3.328 10.360 ( -1.799 0.000 -6.893) 7.124 10.627 ( 6.172 0.000 -5.031) 7.963 10.658 ( -1.824 0.000 2.428) 3.037 10.757 ( -1.478 0.000 -2.481) 2.888 11.113 ( 18.923 0.000 4.454) 19.440 11.352 ( 8.975 0.000 5.522) 10.538 11.398 ( 3.911 0.000 -4.152) 5.704 11.849 ( 1.135 0.000 -0.198) 1.152 12.096 ( -1.054 0.000 -10.212) 10.266 12.329 ( -3.168 0.000 7.940) 8.549 12.562 ( -19.889 0.000 3.674) 20.225 12.747 ( -0.241 0.000 0.334) 0.412 13.035 ( -0.939 0.000 -3.290) 3.422 13.286 ( -5.357 0.000 3.696) 6.508 13.501 ( -2.132 0.000 1.193) 2.443 13.826 ( 15.027 0.000 2.546) 15.241 13.939 ( -12.469 0.000 3.191) 12.871 14.057 ( 26.564 0.000 1.058) 26.585 14.102 ( -7.873 0.000 5.301) 9.491 14.214 ( -0.794 0.000 -4.325) 4.398 14.771 ( 16.057 0.000 -5.740) 17.052 15.063 ( -5.568 0.000 -3.887) 6.791 15.226 ( 5.290 0.000 2.037) 5.669 15.368 ( -8.410 0.000 1.580) 8.558 16.987 ( -4.342 0.000 0.326) 4.354 17.128 ( -0.070 0.000 0.317) 0.325 17.635 ( -1.247 0.000 1.196) 1.728 17.846 ( -8.241 0.000 -1.611) 8.397 18.634 ( -0.012 0.000 2.135) 2.135 18.853 ( -3.820 0.000 -0.483) 3.850 19.478 ( -9.716 0.000 3.912) 10.474 19.613 ( -8.531 0.000 -4.098) 9.464 21.720 ( -4.461 0.000 2.267) 5.004 21.738 ( 2.534 0.000 -1.806) 3.112 21.933 ( -2.403 0.000 -2.005) 3.130 22.047 ( -6.318 0.000 1.370) 6.465 22.906 ( 12.909 0.000 2.057) 13.072 23.148 ( 7.317 0.000 -1.047) 7.392 23.504 ( 14.551 0.000 0.358) 14.556 24.233 ( -5.740 0.000 -1.866) 6.036 ======================= Grid point 3 (4/72) ======================= q-point: ( 0.43 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.688 ( 24.961 0.000 5.273) 25.512 1.706 ( 22.500 0.000 0.423) 22.504 2.078 ( -13.960 0.000 0.232) 13.962 2.148 ( -17.868 0.000 -5.832) 18.795 2.331 ( -1.737 0.000 0.163) 1.745 2.445 ( 1.823 0.000 2.308) 2.942 2.477 ( -4.268 0.000 0.726) 4.329 2.538 ( -6.083 0.000 -2.575) 6.605 2.972 ( 20.779 0.000 -0.239) 20.781 2.978 ( 3.773 0.000 2.581) 4.571 3.044 ( -0.500 0.000 -1.621) 1.696 3.094 ( 10.245 0.000 2.875) 10.641 3.193 ( 1.421 0.000 -3.997) 4.243 3.203 ( 2.889 0.000 -0.607) 2.953 3.254 ( -0.425 0.000 3.326) 3.353 3.445 ( 5.612 0.000 0.376) 5.625 3.464 ( 4.378 0.000 -2.142) 4.874 3.499 ( 1.122 0.000 1.263) 1.690 3.698 ( -0.831 0.000 -10.674) 10.706 3.795 ( 0.594 0.000 -0.807) 1.002 3.848 ( -10.758 0.000 7.869) 13.329 3.856 ( -4.389 0.000 -0.566) 4.425 4.032 ( 4.393 0.000 -1.820) 4.755 4.110 ( 3.293 0.000 -1.687) 3.700 4.253 ( -8.665 0.000 8.743) 12.309 4.383 ( -1.589 0.000 -6.158) 6.360 4.452 ( 2.311 0.000 1.971) 3.037 4.531 ( 0.883 0.000 1.284) 1.559 4.602 ( -1.381 0.000 1.986) 2.419 4.603 ( 0.526 0.000 0.704) 0.879 4.830 ( -10.684 0.000 -0.267) 10.688 4.845 ( -0.068 0.000 0.303) 0.310 4.900 ( 3.788 0.000 -2.630) 4.611 5.013 ( -0.877 0.000 -0.717) 1.132 5.358 ( 1.166 0.000 -1.892) 2.222 5.716 ( -1.617 0.000 0.931) 1.866 5.899 ( -0.118 0.000 0.565) 0.577 5.998 ( -0.353 0.000 0.701) 0.785 6.023 ( 1.065 0.000 -2.743) 2.942 6.096 ( -1.633 0.000 2.164) 2.711 6.566 ( 0.505 0.000 0.338) 0.608 6.864 ( 1.571 0.000 -0.087) 1.574 6.963 ( -4.372 0.000 -1.472) 4.613 7.045 ( 3.670 0.000 2.885) 4.669 7.249 ( -2.634 0.000 -5.820) 6.388 7.324 ( -3.675 0.000 4.564) 5.860 7.408 ( 2.160 0.000 -0.991) 2.377 7.569 ( 4.413 0.000 -1.373) 4.622 7.714 ( -4.416 0.000 4.259) 6.135 7.784 ( -0.164 0.000 -2.492) 2.497 7.852 ( -5.215 0.000 0.748) 5.268 7.894 ( -2.975 0.000 0.428) 3.006 8.046 ( 3.773 0.000 0.779) 3.853 8.137 ( 3.360 0.000 1.126) 3.544 8.149 ( 1.056 0.000 -0.610) 1.219 8.271 ( -2.136 0.000 0.042) 2.137 8.416 ( 6.371 0.000 -3.870) 7.454 8.507 ( -0.261 0.000 -0.466) 0.534 8.559 ( -5.890 0.000 2.135) 6.265 8.774 ( -1.542 0.000 -0.710) 1.697 9.066 ( 1.405 0.000 0.215) 1.421 9.247 ( 4.176 0.000 2.299) 4.768 9.337 ( 3.448 0.000 3.558) 4.955 9.357 ( 2.931 0.000 -0.858) 3.054 9.499 ( 4.192 0.000 -3.610) 5.532 9.510 ( -0.388 0.000 -2.763) 2.791 9.774 ( -5.787 0.000 2.559) 6.328 9.947 ( -1.933 0.000 0.895) 2.130 10.332 ( -0.826 0.000 -2.672) 2.797 10.631 ( -0.813 0.000 1.031) 1.313 10.704 ( 2.428 0.000 1.455) 2.831 10.736 ( -0.995 0.000 -3.787) 3.916 11.495 ( 4.482 0.000 1.270) 4.658 11.517 ( 21.738 0.000 3.061) 21.953 11.573 ( 10.639 0.000 2.095) 10.844 11.832 ( -6.870 0.000 -1.017) 6.945 12.046 ( -2.847 0.000 -18.182) 18.403 12.195 ( -8.131 0.000 14.956) 17.024 12.212 ( -12.840 0.000 0.227) 12.842 12.750 ( 0.234 0.000 0.046) 0.239 13.017 ( -0.657 0.000 -0.953) 1.158 13.269 ( 2.817 0.000 -0.841) 2.940 13.427 ( -5.301 0.000 1.897) 5.630 13.750 ( -5.640 0.000 1.320) 5.793 14.047 ( 1.064 0.000 5.215) 5.323 14.064 ( 8.116 0.000 0.732) 8.149 14.166 ( -3.130 0.000 -4.683) 5.632 14.564 ( 22.856 0.000 1.217) 22.888 14.925 ( -6.496 0.000 -3.998) 7.628 15.015 ( 7.935 0.000 -3.406) 8.636 15.139 ( -14.122 0.000 2.325) 14.312 15.282 ( 0.717 0.000 2.206) 2.320 16.930 ( -1.457 0.000 0.104) 1.460 17.126 ( -0.083 0.000 -0.012) 0.084 17.634 ( 1.488 0.000 1.811) 2.344 17.705 ( -5.831 0.000 -2.037) 6.177 18.648 ( 1.064 0.000 1.023) 1.476 18.783 ( -2.720 0.000 -0.489) 2.764 19.350 ( -3.336 0.000 1.613) 3.705 19.480 ( -4.161 0.000 -1.660) 4.480 21.662 ( -1.552 0.000 0.800) 1.746 21.802 ( 4.091 0.000 -1.813) 4.475 21.894 ( -1.271 0.000 -0.735) 1.468 21.924 ( -5.974 0.000 1.702) 6.212 23.092 ( 5.444 0.000 0.835) 5.508 23.253 ( 3.023 0.000 -0.483) 3.061 23.763 ( 10.594 0.000 0.341) 10.599 24.101 ( -6.943 0.000 -0.788) 6.987 ======================= Grid point 7 (5/72) ======================= q-point: ( 0.00 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.552 ( 0.000 26.045 0.000) 26.045 0.689 ( 0.000 31.843 0.000) 31.843 1.077 ( 0.000 49.717 0.000) 49.717 2.393 ( 0.000 -1.507 0.000) 1.507 2.426 ( 0.000 4.061 0.000) 4.061 2.555 ( 0.000 -2.471 0.000) 2.471 2.560 ( 0.000 3.233 0.000) 3.233 2.661 ( 0.000 -2.456 0.000) 2.456 2.772 ( 0.000 0.768 0.000) 0.768 2.838 ( 0.000 3.274 0.000) 3.274 2.900 ( 0.000 2.142 0.000) 2.142 2.963 ( 0.000 -5.604 0.000) 5.604 3.042 ( 0.000 2.693 0.000) 2.693 3.147 ( 0.000 0.574 0.000) 0.574 3.258 ( 0.000 6.496 0.000) 6.496 3.335 ( 0.000 -6.831 0.000) 6.831 3.472 ( 0.000 -6.586 0.000) 6.586 3.569 ( 0.000 -4.022 0.000) 4.022 3.603 ( 0.000 -4.991 0.000) 4.991 3.664 ( 0.000 -7.509 0.000) 7.509 3.722 ( 0.000 -1.766 0.000) 1.766 3.801 ( 0.000 -1.396 0.000) 1.396 3.948 ( 0.000 -0.534 0.000) 0.534 3.997 ( 0.000 -4.551 0.000) 4.551 4.078 ( 0.000 -5.828 0.000) 5.828 4.208 ( 0.000 4.015 0.000) 4.015 4.383 ( 0.000 2.704 0.000) 2.704 4.480 ( 0.000 4.516 0.000) 4.516 4.731 ( 0.000 2.148 0.000) 2.148 4.785 ( 0.000 -6.880 0.000) 6.880 4.847 ( 0.000 -1.945 0.000) 1.945 5.059 ( 0.000 5.650 0.000) 5.650 5.117 ( 0.000 7.603 0.000) 7.603 5.374 ( 0.000 -1.666 0.000) 1.666 5.433 ( 0.000 -1.101 0.000) 1.101 5.803 ( 0.000 -7.826 0.000) 7.826 5.805 ( 0.000 -0.963 0.000) 0.963 5.972 ( 0.000 -2.609 0.000) 2.609 6.192 ( 0.000 -0.128 0.000) 0.128 6.404 ( 0.000 2.130 0.000) 2.130 6.753 ( 0.000 -1.021 0.000) 1.021 6.901 ( 0.000 4.943 0.000) 4.943 7.059 ( 0.000 7.469 0.000) 7.469 7.083 ( 0.000 -6.688 0.000) 6.688 7.261 ( 0.000 -1.040 0.000) 1.040 7.528 ( 0.000 3.837 0.000) 3.837 7.574 ( 0.000 1.424 0.000) 1.424 7.650 ( 0.000 -7.714 0.000) 7.714 7.685 ( 0.000 -2.111 0.000) 2.111 7.795 ( 0.000 -1.819 0.000) 1.819 7.895 ( 0.000 -1.857 0.000) 1.857 7.896 ( 0.000 -3.427 0.000) 3.427 8.013 ( 0.000 4.467 0.000) 4.467 8.082 ( 0.000 1.476 0.000) 1.476 8.099 ( 0.000 -0.435 0.000) 0.435 8.245 ( 0.000 5.697 0.000) 5.697 8.467 ( 0.000 1.221 0.000) 1.221 8.659 ( 0.000 -7.302 0.000) 7.302 8.703 ( 0.000 -5.042 0.000) 5.042 8.764 ( 0.000 1.156 0.000) 1.156 8.827 ( 0.000 1.542 0.000) 1.542 9.029 ( 0.000 5.977 0.000) 5.977 9.057 ( 0.000 3.270 0.000) 3.270 9.163 ( 0.000 -13.469 0.000) 13.469 9.261 ( 0.000 -4.635 0.000) 4.635 9.343 ( 0.000 7.757 0.000) 7.757 9.838 ( 0.000 3.128 0.000) 3.128 10.258 ( 0.000 6.024 0.000) 6.024 10.338 ( 0.000 9.502 0.000) 9.502 10.545 ( 0.000 8.194 0.000) 8.194 10.656 ( 0.000 -3.624 0.000) 3.624 10.678 ( 0.000 -2.803 0.000) 2.803 10.949 ( 0.000 13.248 0.000) 13.248 11.237 ( 0.000 -0.430 0.000) 0.430 11.424 ( 0.000 1.041 0.000) 1.041 11.816 ( 0.000 -3.856 0.000) 3.856 12.055 ( 0.000 -2.474 0.000) 2.474 12.237 ( 0.000 -1.158 0.000) 1.158 12.788 ( 0.000 -4.811 0.000) 4.811 12.933 ( 0.000 3.272 0.000) 3.272 12.963 ( 0.000 -6.921 0.000) 6.921 13.215 ( 0.000 -4.694 0.000) 4.694 13.434 ( 0.000 9.795 0.000) 9.795 13.599 ( 0.000 11.445 0.000) 11.445 13.741 ( 0.000 -8.113 0.000) 8.113 13.994 ( 0.000 1.138 0.000) 1.138 14.011 ( 0.000 -14.363 0.000) 14.363 14.405 ( 0.000 -2.350 0.000) 2.350 14.639 ( 0.000 11.371 0.000) 11.371 14.960 ( 0.000 -6.479 0.000) 6.479 15.161 ( 0.000 2.230 0.000) 2.230 15.381 ( 0.000 -10.664 0.000) 10.664 17.093 ( 0.000 -1.921 0.000) 1.921 17.121 ( 0.000 0.088 0.000) 0.088 17.744 ( 0.000 5.039 0.000) 5.039 18.024 ( 0.000 -3.474 0.000) 3.474 18.702 ( 0.000 4.370 0.000) 4.370 18.962 ( 0.000 2.031 0.000) 2.031 19.700 ( 0.000 -8.544 0.000) 8.544 19.758 ( 0.000 -6.686 0.000) 6.686 21.744 ( 0.000 0.639 0.000) 0.639 21.949 ( 0.000 -0.222 0.000) 0.222 22.267 ( 0.000 5.122 0.000) 5.122 22.271 ( 0.000 1.798 0.000) 1.798 22.517 ( 0.000 1.227 0.000) 1.227 23.015 ( 0.000 5.842 0.000) 5.842 23.089 ( 0.000 -5.050 0.000) 5.050 23.631 ( 0.000 -0.331 0.000) 0.331 ======================= Grid point 8 (6/72) ======================= q-point: ( 0.14 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.789 ( 18.448 19.486 8.701) 28.208 0.819 ( 21.772 18.041 -7.607) 29.280 1.605 ( 41.260 33.567 0.826) 53.196 2.367 ( -4.087 1.303 -0.192) 4.294 2.387 ( -1.056 -2.549 2.028) 3.424 2.521 ( -2.623 3.972 -7.350) 8.757 2.583 ( -4.362 1.992 -0.434) 4.815 2.648 ( 1.742 -0.750 7.511) 7.747 2.767 ( 1.789 1.730 4.768) 5.378 2.842 ( 0.785 1.467 -0.846) 1.867 2.897 ( -2.588 -2.909 -2.664) 4.718 2.980 ( 1.591 -1.055 -1.523) 2.442 3.113 ( 3.814 2.296 4.332) 6.212 3.186 ( 3.295 0.493 -1.236) 3.554 3.204 ( -2.014 1.478 -3.125) 4.001 3.292 ( -2.579 -5.043 0.328) 5.674 3.440 ( -4.071 -1.344 -1.289) 4.477 3.450 ( -2.333 -4.055 -2.803) 5.454 3.633 ( 0.504 -6.136 -1.167) 6.266 3.694 ( 1.470 -6.864 -0.138) 7.021 3.853 ( 3.213 -2.957 -5.877) 7.321 3.856 ( 9.299 -1.839 -2.150) 9.720 3.960 ( 0.946 -4.446 -2.729) 5.302 4.022 ( 3.390 -0.449 6.697) 7.519 4.098 ( 1.120 -5.327 5.351) 7.634 4.267 ( 5.759 4.128 4.027) 8.150 4.401 ( 1.732 1.983 -2.805) 3.847 4.496 ( 1.920 4.447 -0.952) 4.936 4.625 ( -6.563 -1.399 -1.529) 6.882 4.772 ( -2.822 -4.061 3.299) 5.945 4.837 ( -1.609 -1.570 2.295) 3.212 5.029 ( -2.528 3.753 -3.046) 5.455 5.065 ( -3.932 9.279 -0.750) 10.106 5.369 ( -0.602 -0.538 -3.888) 3.971 5.388 ( -6.420 -2.015 0.708) 6.766 5.781 ( -1.316 -5.031 4.058) 6.596 5.807 ( -0.589 -3.637 -2.359) 4.375 5.971 ( -0.115 -2.631 1.511) 3.036 6.176 ( -2.108 1.709 -2.324) 3.573 6.318 ( -5.883 7.385 0.465) 9.453 6.763 ( -7.685 10.442 -1.256) 13.026 6.800 ( 3.308 1.036 3.711) 5.079 6.998 ( -3.166 5.743 -8.393) 10.651 7.068 ( -1.675 -2.621 4.940) 5.838 7.283 ( 1.154 -0.761 2.298) 2.682 7.491 ( -4.862 2.572 -0.940) 5.580 7.509 ( -2.723 3.024 -2.130) 4.593 7.639 ( -6.702 -2.011 -1.108) 7.085 7.691 ( 6.148 -1.479 -0.075) 6.324 7.782 ( 0.967 0.283 2.592) 2.781 7.862 ( 0.203 0.588 -2.401) 2.480 7.879 ( -1.009 -2.918 2.074) 3.719 7.954 ( -2.694 -1.851 1.044) 3.431 8.102 ( 1.039 1.443 4.048) 4.421 8.164 ( 5.325 1.585 -3.868) 6.770 8.223 ( -0.838 3.107 -1.421) 3.518 8.443 ( -2.621 4.426 -2.815) 5.863 8.562 ( -7.012 -4.009 2.114) 8.349 8.714 ( 2.245 -5.693 0.069) 6.120 8.771 ( -0.739 -1.214 -1.843) 2.327 8.903 ( 4.635 0.120 -1.778) 4.966 9.006 ( -1.574 0.266 0.339) 1.632 9.086 ( 4.231 4.336 0.674) 6.096 9.219 ( 3.656 -15.077 3.003) 15.801 9.251 ( 1.474 -7.391 1.323) 7.652 9.469 ( 5.290 9.531 -0.038) 10.901 9.812 ( -1.979 3.295 2.295) 4.477 10.245 ( -1.000 6.212 3.198) 7.058 10.398 ( 0.336 0.695 -13.653) 13.674 10.596 ( 7.644 4.608 -2.889) 9.381 10.670 ( 0.224 -0.260 -1.429) 1.470 10.758 ( 7.344 1.813 7.073) 10.356 10.982 ( 3.442 12.843 1.190) 13.349 11.233 ( -0.283 -1.027 -3.146) 3.321 11.395 ( -1.534 1.409 3.638) 4.192 11.809 ( 0.062 -2.870 0.099) 2.872 12.095 ( 2.977 -0.270 -4.333) 5.264 12.281 ( 2.990 -2.331 2.493) 4.537 12.719 ( -10.775 -10.293 8.700) 17.255 12.844 ( -4.569 2.588 5.493) 7.599 12.992 ( -0.149 -3.733 -9.600) 10.301 13.243 ( 7.808 -10.602 3.151) 13.539 13.493 ( -8.041 0.466 4.484) 9.218 13.583 ( 10.606 3.199 0.512) 11.090 13.716 ( 5.666 9.570 0.293) 11.125 13.959 ( -6.153 -13.543 1.334) 14.935 14.183 ( 10.171 -1.025 -2.507) 10.526 14.505 ( -1.465 6.026 2.498) 6.686 14.613 ( 1.917 7.684 -3.526) 8.669 14.993 ( 2.081 -6.339 -0.301) 6.678 15.140 ( 2.794 1.529 -1.157) 3.389 15.348 ( -3.311 -11.045 0.291) 11.534 17.053 ( -3.582 -1.360 -0.260) 3.840 17.124 ( -0.068 -0.351 0.900) 0.968 17.732 ( -1.292 5.127 1.017) 5.384 17.965 ( -5.534 -2.401 -0.640) 6.067 18.688 ( -1.243 3.965 1.992) 4.608 18.932 ( -2.815 1.546 -0.595) 3.266 19.605 ( -8.537 -6.777 4.193) 11.678 19.703 ( -5.519 -5.816 -4.393) 9.142 21.641 ( -5.714 0.425 0.565) 5.757 21.923 ( -2.175 -2.613 -1.608) 3.761 22.067 ( -7.328 10.309 0.822) 12.675 22.269 ( -10.167 8.108 -0.274) 13.008 22.623 ( 15.263 -1.063 2.290) 15.471 22.985 ( 3.490 -2.632 -0.164) 4.374 23.278 ( 12.393 2.548 0.086) 12.652 23.985 ( 16.428 -15.600 -2.548) 22.798 ======================= Grid point 9 (7/72) ======================= q-point: ( 0.29 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.237 ( 25.612 7.573 9.668) 28.404 1.301 ( 26.443 9.117 -5.592) 28.524 2.281 ( -5.435 1.316 0.253) 5.598 2.349 ( 2.568 -0.480 -0.021) 2.613 2.419 ( 25.523 11.627 -1.251) 28.074 2.438 ( 1.030 7.674 -3.794) 8.622 2.493 ( -5.136 3.304 2.448) 6.579 2.587 ( -4.001 0.161 -1.505) 4.277 2.737 ( -9.878 -0.216 1.776) 10.039 2.854 ( 4.882 -1.408 -0.342) 5.092 2.938 ( 6.227 2.973 7.352) 10.083 3.001 ( 1.830 -2.621 -3.737) 4.918 3.147 ( 1.039 1.063 -0.206) 1.500 3.198 ( 0.799 -3.752 1.397) 4.083 3.259 ( 2.992 -0.186 -1.665) 3.429 3.316 ( 4.661 -2.466 0.950) 5.358 3.418 ( 1.051 -0.782 -3.303) 3.554 3.438 ( 1.477 1.767 1.087) 2.547 3.654 ( 1.148 -6.684 -4.993) 8.422 3.704 ( -0.227 -5.448 -3.928) 6.720 3.872 ( -1.112 -2.494 -2.425) 3.652 3.948 ( -0.968 -6.386 1.473) 6.625 4.000 ( 6.087 -0.946 -4.061) 7.379 4.073 ( -2.445 2.249 4.055) 5.242 4.169 ( 7.353 -3.008 2.574) 8.351 4.376 ( 0.622 0.408 4.426) 4.488 4.415 ( 2.377 1.760 4.033) 5.001 4.543 ( 1.489 1.325 1.056) 2.256 4.558 ( 0.215 -2.424 -2.811) 3.718 4.714 ( -1.832 -2.635 3.355) 4.643 4.801 ( -0.592 -0.567 0.555) 0.990 4.944 ( -7.648 5.109 -4.880) 10.412 5.009 ( -1.505 0.815 -1.223) 2.104 5.168 ( -14.506 2.194 0.198) 14.672 5.373 ( 1.224 1.849 -4.112) 4.672 5.754 ( -1.876 -2.039 4.147) 4.988 5.792 ( -0.475 -5.568 -1.553) 5.800 5.969 ( -0.243 -2.542 1.681) 3.057 6.121 ( -2.291 5.287 -3.623) 6.807 6.253 ( -1.804 7.615 1.296) 7.932 6.679 ( -1.647 10.220 0.001) 10.352 6.871 ( 3.001 1.697 2.915) 4.515 6.957 ( -0.747 0.648 -6.322) 6.399 7.039 ( -0.825 1.519 5.293) 5.568 7.308 ( 1.812 -0.193 -1.216) 2.191 7.393 ( -5.564 -1.906 -3.858) 7.033 7.484 ( -5.529 3.375 2.218) 6.847 7.521 ( 0.029 2.948 1.172) 3.173 7.704 ( -3.607 -4.097 2.016) 5.819 7.814 ( -1.964 -5.099 -0.045) 5.464 7.841 ( -2.856 -2.725 -3.668) 5.388 7.902 ( 0.792 -3.738 1.925) 4.279 7.951 ( 6.966 1.885 0.923) 7.276 8.118 ( 0.650 3.071 3.232) 4.506 8.227 ( 2.673 3.171 4.207) 5.908 8.298 ( 5.255 -0.122 -2.908) 6.007 8.373 ( -3.257 6.971 -7.660) 10.857 8.459 ( -3.506 -5.039 0.756) 6.185 8.692 ( -4.280 1.525 0.378) 4.559 8.766 ( -0.391 -5.887 -0.162) 5.903 8.955 ( 0.737 -6.201 -1.590) 6.444 8.999 ( 2.204 -7.798 1.420) 8.227 9.158 ( 2.179 -6.322 0.377) 6.698 9.281 ( 1.900 -6.910 7.726) 10.538 9.357 ( 8.638 -2.815 -4.321) 10.061 9.533 ( 2.571 6.826 0.257) 7.298 9.778 ( -1.635 6.249 0.885) 6.520 10.205 ( -3.875 6.839 2.718) 8.317 10.370 ( -1.601 0.147 -11.446) 11.558 10.640 ( -0.535 -0.980 3.051) 3.249 10.810 ( 9.727 9.396 -3.388) 13.942 10.882 ( 5.079 5.219 -1.636) 7.464 11.076 ( 6.392 6.263 1.219) 9.031 11.256 ( 4.131 -7.164 -0.032) 8.270 11.442 ( 7.136 2.950 8.138) 11.218 11.846 ( 3.401 0.744 -2.479) 4.274 12.102 ( -3.599 -0.237 -11.437) 11.993 12.287 ( -3.100 -3.860 8.026) 9.430 12.436 ( -15.369 -8.661 5.241) 18.403 12.819 ( 0.687 4.827 1.957) 5.254 12.975 ( -0.855 -2.386 -6.093) 6.599 13.362 ( -1.399 4.719 2.152) 5.372 13.449 ( 9.074 -14.606 6.989) 18.561 13.721 ( -1.655 5.352 -1.362) 5.765 13.777 ( -4.025 -9.969 0.299) 10.755 13.995 ( 14.940 -2.173 1.687) 15.191 14.255 ( -0.730 2.344 -4.245) 4.903 14.392 ( -2.581 13.180 4.384) 14.128 14.767 ( 9.397 -0.345 -4.922) 10.613 14.979 ( -2.661 -6.397 0.799) 6.975 15.240 ( 3.336 -2.542 -5.163) 6.652 15.268 ( -3.858 -6.599 5.163) 9.225 16.979 ( -3.504 -0.382 0.127) 3.527 17.118 ( -0.448 -0.933 0.182) 1.051 17.699 ( -1.846 4.943 1.192) 5.409 17.840 ( -6.820 -0.355 -1.274) 6.947 18.669 ( -0.491 3.131 1.860) 3.675 18.863 ( -4.093 0.853 -0.813) 4.259 19.435 ( -8.109 -3.846 3.180) 9.522 19.570 ( -7.358 -3.869 -3.307) 8.946 21.588 ( -0.346 -3.411 0.386) 3.450 21.868 ( -4.027 -3.935 -0.985) 5.715 21.938 ( -5.006 8.774 0.070) 10.102 22.105 ( -7.472 3.652 0.195) 8.318 22.907 ( 13.240 0.196 1.928) 13.381 23.103 ( 7.244 -3.765 -0.580) 8.185 23.541 ( 14.252 3.211 0.148) 14.610 24.127 ( 0.671 -7.970 -1.600) 8.157 ======================= Grid point 10 (8/72) ======================= q-point: ( 0.43 0.14 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.716 ( 23.306 3.685 8.018) 24.921 1.784 ( 23.204 5.939 -3.065) 24.147 2.100 ( -14.784 2.823 -2.454) 15.250 2.203 ( -17.537 4.113 -2.121) 18.138 2.335 ( -0.073 0.216 -1.077) 1.101 2.410 ( -4.824 -1.900 0.784) 5.243 2.476 ( 1.645 0.352 0.234) 1.698 2.570 ( -6.107 2.431 0.196) 6.576 2.908 ( 4.238 -4.991 0.820) 6.599 2.959 ( 0.309 -6.557 -1.955) 6.849 3.019 ( 6.234 1.785 3.241) 7.250 3.154 ( 0.579 0.982 -1.605) 1.968 3.190 ( 14.992 5.966 -0.062) 16.135 3.231 ( 1.767 -0.132 1.484) 2.311 3.310 ( 1.998 2.043 -1.850) 3.405 3.410 ( 3.527 -3.478 1.477) 5.169 3.438 ( 1.402 -4.114 -0.038) 4.346 3.509 ( 6.335 4.603 2.478) 8.214 3.645 ( -2.745 -6.808 -4.971) 8.865 3.719 ( 4.038 -1.427 -4.387) 6.131 3.828 ( -2.301 0.269 -1.507) 2.763 3.894 ( -7.417 -0.603 3.641) 8.285 4.019 ( -0.868 -0.056 2.126) 2.296 4.110 ( 5.118 -0.342 -1.997) 5.505 4.243 ( 0.576 -6.038 -0.361) 6.077 4.289 ( -6.760 -0.583 3.129) 7.472 4.503 ( 3.367 2.412 1.946) 4.576 4.529 ( -0.785 -1.949 -0.266) 2.118 4.564 ( -1.657 2.551 1.078) 3.228 4.734 ( 3.070 6.288 2.201) 7.336 4.764 ( -4.935 -2.789 -1.038) 5.763 4.851 ( 2.207 -3.890 -2.852) 5.305 4.934 ( -8.029 5.338 -0.938) 9.687 4.977 ( -2.058 -2.939 -0.180) 3.592 5.407 ( 1.623 2.963 -1.619) 3.747 5.717 ( -1.392 -0.307 1.344) 1.959 5.793 ( 0.239 -5.931 -0.094) 5.937 5.963 ( -0.300 -2.091 0.662) 2.214 6.102 ( 0.027 5.158 -1.605) 5.402 6.223 ( -1.201 7.705 0.658) 7.826 6.669 ( 0.048 9.017 0.003) 9.017 6.905 ( 0.648 3.395 1.430) 3.740 6.964 ( 1.137 2.237 -2.334) 3.427 7.051 ( 1.424 0.200 2.935) 3.268 7.266 ( -5.504 0.266 -3.620) 6.594 7.332 ( -1.038 1.215 1.920) 2.498 7.411 ( -0.205 0.661 -0.252) 0.737 7.545 ( 1.033 -2.034 -1.120) 2.541 7.649 ( -1.549 -3.677 2.985) 4.983 7.759 ( -2.858 -5.138 0.179) 5.882 7.783 ( -1.336 -4.072 -3.014) 5.239 7.928 ( 1.367 0.005 2.457) 2.811 8.063 ( 2.933 0.388 0.113) 2.961 8.149 ( 1.558 0.735 2.215) 2.806 8.221 ( -2.461 9.030 -0.522) 9.374 8.297 ( -0.747 2.679 -1.875) 3.354 8.425 ( 0.855 -5.089 0.167) 5.163 8.452 ( 6.099 0.771 -4.076) 7.376 8.583 ( -6.709 1.702 2.769) 7.455 8.749 ( -0.835 -2.613 -0.231) 2.753 8.953 ( -0.081 -13.819 -1.170) 13.868 9.068 ( 3.122 -13.766 2.171) 14.281 9.171 ( -0.401 -9.572 -0.911) 9.623 9.307 ( 0.669 -11.084 3.330) 11.592 9.469 ( 2.215 4.771 -1.956) 5.612 9.608 ( 4.793 5.094 -0.146) 6.996 9.744 ( -1.950 9.788 0.196) 9.982 10.114 ( -3.907 8.255 0.933) 9.180 10.347 ( -0.548 1.142 -4.196) 4.383 10.632 ( -0.277 0.652 0.942) 1.178 10.927 ( 2.600 12.651 3.122) 13.287 10.942 ( 1.252 13.509 -5.016) 14.465 11.219 ( 6.654 -12.968 -3.359) 14.958 11.408 ( 8.896 -10.052 6.248) 14.806 11.615 ( 7.911 -1.090 8.378) 11.574 11.868 ( -3.303 -0.033 -10.240) 10.760 11.956 ( -7.272 -1.928 -5.549) 9.348 12.210 ( -3.359 -0.648 7.783) 8.501 12.222 ( -5.704 1.162 0.185) 5.825 12.837 ( 0.607 7.981 1.466) 8.137 12.962 ( -0.439 -2.634 -3.072) 4.071 13.399 ( 4.892 8.673 -2.117) 10.180 13.542 ( -2.423 -12.287 8.468) 15.118 13.594 ( -4.543 6.305 -2.194) 8.075 13.784 ( 2.333 -11.161 -0.666) 11.422 14.134 ( -0.065 -3.067 2.608) 4.026 14.233 ( 0.767 3.228 -3.985) 5.185 14.595 ( 16.862 2.627 1.296) 17.115 14.771 ( -2.253 -10.595 -0.762) 10.858 14.963 ( -9.151 -3.208 -1.166) 9.767 15.164 ( 1.274 -0.467 0.619) 1.492 15.300 ( 0.075 0.204 -0.047) 0.223 16.934 ( -1.093 0.468 0.134) 1.197 17.110 ( -0.280 -1.437 -0.024) 1.464 17.678 ( -0.111 3.384 1.253) 3.610 17.731 ( -3.904 2.492 -1.396) 4.837 18.675 ( 0.847 2.437 1.062) 2.790 18.791 ( -2.801 0.630 -0.680) 2.951 19.328 ( -2.793 -2.046 1.378) 3.727 19.456 ( -3.601 -2.314 -1.402) 4.504 21.609 ( 1.780 -3.177 0.320) 3.655 21.772 ( -4.240 -4.058 -0.567) 5.896 21.911 ( 1.431 3.618 -0.236) 3.898 21.979 ( -5.427 2.784 0.384) 6.112 23.094 ( 5.444 0.191 0.832) 5.511 23.209 ( 3.100 -3.534 -0.376) 4.716 23.784 ( 9.547 1.862 0.221) 9.729 24.074 ( -4.525 -2.331 -0.695) 5.138 ======================= Grid point 14 (9/72) ======================= q-point: ( 0.00 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.096 ( 0.000 25.330 0.000) 25.330 1.330 ( 0.000 28.507 0.000) 28.507 2.060 ( 0.000 41.403 0.000) 41.403 2.303 ( 0.000 -7.061 0.000) 7.061 2.504 ( 0.000 -4.264 0.000) 4.264 2.545 ( 0.000 1.893 0.000) 1.893 2.598 ( 0.000 3.759 0.000) 3.759 2.673 ( 0.000 5.573 0.000) 5.573 2.798 ( 0.000 2.582 0.000) 2.582 2.838 ( 0.000 -5.080 0.000) 5.080 2.909 ( 0.000 2.965 0.000) 2.965 2.963 ( 0.000 2.766 0.000) 2.766 3.105 ( 0.000 1.532 0.000) 1.532 3.163 ( 0.000 -6.227 0.000) 6.227 3.186 ( 0.000 2.935 0.000) 2.935 3.294 ( 0.000 -6.309 0.000) 6.309 3.413 ( 0.000 3.880 0.000) 3.880 3.456 ( 0.000 -5.376 0.000) 5.376 3.479 ( 0.000 -6.331 0.000) 6.331 3.574 ( 0.000 -0.108 0.000) 0.108 3.614 ( 0.000 -9.131 0.000) 9.131 3.704 ( 0.000 -6.357 0.000) 6.357 3.889 ( 0.000 -5.840 0.000) 5.840 3.913 ( 0.000 -2.234 0.000) 2.234 3.919 ( 0.000 -8.098 0.000) 8.098 4.283 ( 0.000 3.089 0.000) 3.089 4.441 ( 0.000 2.409 0.000) 2.409 4.559 ( 0.000 -14.791 0.000) 14.791 4.622 ( 0.000 7.744 0.000) 7.744 4.813 ( 0.000 -1.238 0.000) 1.238 4.828 ( 0.000 6.588 0.000) 6.588 5.113 ( 0.000 -1.175 0.000) 1.175 5.287 ( 0.000 -6.178 0.000) 6.178 5.330 ( 0.000 11.744 0.000) 11.744 5.383 ( 0.000 -4.231 0.000) 4.231 5.689 ( 0.000 -1.424 0.000) 1.424 5.761 ( 0.000 -2.596 0.000) 2.596 5.904 ( 0.000 -3.962 0.000) 3.962 6.191 ( 0.000 0.230 0.000) 0.230 6.396 ( 0.000 -3.350 0.000) 3.350 6.781 ( 0.000 3.514 0.000) 3.514 6.992 ( 0.000 -1.082 0.000) 1.082 7.081 ( 0.000 11.316 0.000) 11.316 7.181 ( 0.000 2.656 0.000) 2.656 7.230 ( 0.000 -2.859 0.000) 2.859 7.413 ( 0.000 -6.988 0.000) 6.988 7.572 ( 0.000 -0.511 0.000) 0.511 7.640 ( 0.000 -1.726 0.000) 1.726 7.669 ( 0.000 0.947 0.000) 0.947 7.742 ( 0.000 -1.901 0.000) 1.901 7.833 ( 0.000 -4.486 0.000) 4.486 7.891 ( 0.000 3.412 0.000) 3.412 8.062 ( 0.000 1.042 0.000) 1.042 8.070 ( 0.000 -0.450 0.000) 0.450 8.193 ( 0.000 7.120 0.000) 7.120 8.300 ( 0.000 0.295 0.000) 0.295 8.501 ( 0.000 0.409 0.000) 0.409 8.543 ( 0.000 -2.148 0.000) 2.148 8.645 ( 0.000 -8.763 0.000) 8.763 8.742 ( 0.000 -14.658 0.000) 14.658 8.745 ( 0.000 7.545 0.000) 7.545 8.975 ( 0.000 0.984 0.000) 0.984 8.987 ( 0.000 -6.968 0.000) 6.968 9.132 ( 0.000 1.511 0.000) 1.511 9.297 ( 0.000 8.546 0.000) 8.546 9.604 ( 0.000 12.928 0.000) 12.928 9.982 ( 0.000 7.422 0.000) 7.422 10.321 ( 0.000 -10.003 0.000) 10.003 10.332 ( 0.000 2.651 0.000) 2.651 10.594 ( 0.000 -3.794 0.000) 3.794 10.725 ( 0.000 7.878 0.000) 7.878 10.747 ( 0.000 10.172 0.000) 10.172 11.231 ( 0.000 -0.034 0.000) 0.034 11.287 ( 0.000 14.647 0.000) 14.647 11.474 ( 0.000 5.021 0.000) 5.021 11.769 ( 0.000 0.425 0.000) 0.425 12.010 ( 0.000 -1.498 0.000) 1.498 12.164 ( 0.000 -5.714 0.000) 5.714 12.641 ( 0.000 -7.933 0.000) 7.933 12.741 ( 0.000 -12.919 0.000) 12.919 13.025 ( 0.000 4.019 0.000) 4.019 13.183 ( 0.000 2.122 0.000) 2.122 13.543 ( 0.000 -9.818 0.000) 9.818 13.634 ( 0.000 -0.923 0.000) 0.923 13.784 ( 0.000 1.444 0.000) 1.444 13.833 ( 0.000 9.704 0.000) 9.704 14.060 ( 0.000 6.048 0.000) 6.048 14.344 ( 0.000 -2.950 0.000) 2.950 14.765 ( 0.000 -2.085 0.000) 2.085 14.780 ( 0.000 -10.438 0.000) 10.438 15.155 ( 0.000 -6.804 0.000) 6.804 15.195 ( 0.000 0.693 0.000) 0.693 17.070 ( 0.000 -0.184 0.000) 0.184 17.120 ( 0.000 -0.330 0.000) 0.330 17.837 ( 0.000 3.205 0.000) 3.205 17.947 ( 0.000 -3.327 0.000) 3.327 18.827 ( 0.000 7.069 0.000) 7.069 19.003 ( 0.000 1.546 0.000) 1.546 19.493 ( 0.000 -9.669 0.000) 9.669 19.581 ( 0.000 -9.306 0.000) 9.306 21.778 ( 0.000 2.474 0.000) 2.474 21.936 ( 0.000 -1.185 0.000) 1.185 22.323 ( 0.000 3.019 0.000) 3.019 22.393 ( 0.000 6.168 0.000) 6.168 22.527 ( 0.000 -0.090 0.000) 0.090 22.947 ( 0.000 -8.001 0.000) 8.001 23.188 ( 0.000 9.707 0.000) 9.707 23.608 ( 0.000 -2.080 0.000) 2.080 ======================= Grid point 15 (10/72) ======================= q-point: ( 0.14 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 12.834 21.598 0.281) 25.125 1.336 ( 4.035 27.040 -0.488) 27.344 2.274 ( 6.410 6.374 -0.526) 9.055 2.336 ( 9.129 9.842 -0.606) 13.438 2.411 ( 2.141 8.498 2.129) 9.019 2.577 ( 0.202 -0.648 0.429) 0.803 2.644 ( -0.771 4.776 -4.401) 6.540 2.708 ( 1.135 7.052 3.525) 7.965 2.772 ( -0.381 -0.989 4.530) 4.652 2.830 ( -3.884 -1.135 -2.473) 4.742 2.873 ( 1.705 -1.017 2.622) 3.289 2.939 ( -2.069 -2.226 -5.202) 6.024 3.156 ( -0.817 1.919 4.506) 4.966 3.174 ( 1.537 -1.887 -1.929) 3.105 3.185 ( 4.025 -1.496 -0.490) 4.322 3.259 ( -4.023 -0.742 -3.288) 5.248 3.362 ( -3.109 -1.349 -0.595) 3.441 3.431 ( 4.663 1.210 -0.087) 4.818 3.503 ( -1.047 -7.674 1.201) 7.838 3.581 ( 2.004 -1.990 0.168) 2.829 3.699 ( 4.921 -8.822 0.050) 10.102 3.761 ( 4.126 -6.455 -5.092) 9.198 3.892 ( 1.847 -2.013 -2.782) 3.899 3.948 ( 2.865 -8.445 4.844) 10.148 4.019 ( 8.813 -1.156 3.308) 9.484 4.338 ( 5.195 2.157 1.878) 5.931 4.448 ( 0.851 1.328 -0.623) 1.696 4.506 ( -5.390 -9.778 0.711) 11.187 4.613 ( -1.126 6.560 -1.140) 6.753 4.758 ( -4.850 1.557 4.676) 6.915 4.824 ( -0.383 1.382 -2.820) 3.164 5.042 ( -5.607 -2.611 -0.817) 6.239 5.219 ( -5.526 1.013 -4.370) 7.118 5.350 ( -2.536 -2.761 -1.210) 3.940 5.378 ( 0.765 5.402 3.015) 6.233 5.684 ( -0.062 -1.208 0.044) 1.210 5.750 ( -0.976 -2.885 1.008) 3.209 5.904 ( 0.001 -3.784 0.615) 3.834 6.203 ( 0.980 1.079 -1.780) 2.301 6.370 ( -2.119 -1.566 -0.813) 2.757 6.812 ( 2.532 3.257 -1.715) 4.468 6.984 ( -0.470 0.224 1.534) 1.620 7.017 ( -3.797 11.499 0.900) 12.143 7.165 ( -1.216 3.135 1.535) 3.696 7.266 ( 2.290 -2.499 2.959) 4.499 7.430 ( -0.789 -4.836 -1.243) 5.055 7.488 ( -6.593 0.432 -5.718) 8.738 7.608 ( 0.537 -1.139 0.955) 1.581 7.709 ( -1.781 -0.336 1.731) 2.506 7.794 ( 6.328 1.182 1.920) 6.718 7.816 ( -2.258 -1.847 -0.120) 2.920 7.819 ( -4.170 -4.642 -1.948) 6.537 8.025 ( -0.866 4.386 -0.040) 4.471 8.138 ( -0.545 3.574 4.774) 5.989 8.183 ( 3.775 1.130 -3.466) 5.248 8.274 ( -3.546 0.889 -2.617) 4.496 8.435 ( -6.519 -3.975 1.818) 7.848 8.502 ( -4.185 -4.868 -1.338) 6.558 8.598 ( 3.554 -1.323 -0.183) 3.797 8.703 ( -0.526 -12.623 -1.795) 12.760 8.925 ( -5.604 -0.073 2.568) 6.165 8.932 ( -4.952 -0.998 0.945) 5.139 9.022 ( 13.169 2.501 -2.897) 13.714 9.161 ( 2.002 0.934 1.086) 2.461 9.212 ( -0.914 2.382 2.970) 3.916 9.681 ( 1.634 8.090 4.335) 9.322 9.965 ( 0.750 8.414 -2.513) 8.813 10.273 ( -2.139 -3.468 5.179) 6.590 10.356 ( 0.651 -0.225 -17.256) 17.270 10.571 ( 0.589 -3.792 4.316) 5.775 10.743 ( 1.012 5.349 -5.392) 7.662 10.907 ( 11.409 8.380 6.195) 15.452 11.231 ( -0.587 3.463 -8.514) 9.210 11.280 ( -0.627 8.042 6.752) 10.519 11.479 ( 1.247 8.187 4.477) 9.414 11.785 ( 3.306 1.724 0.495) 3.761 12.070 ( 4.769 -2.071 -5.655) 7.682 12.208 ( 1.818 -4.066 3.387) 5.596 12.516 ( -12.561 -8.609 4.782) 15.961 12.696 ( -1.808 -13.001 -2.018) 13.280 13.049 ( 2.136 2.873 2.393) 4.306 13.127 ( -0.835 2.176 -2.083) 3.126 13.435 ( -6.649 -6.241 0.495) 9.132 13.620 ( -2.208 -8.259 5.781) 10.320 13.773 ( 0.701 5.440 -5.531) 7.790 13.961 ( 8.133 11.259 2.214) 14.065 14.185 ( 9.376 2.271 -1.823) 9.818 14.523 ( 10.994 -2.185 0.874) 11.243 14.702 ( 1.266 -2.789 0.111) 3.065 14.846 ( -0.348 -6.545 -1.450) 6.713 15.095 ( -5.089 -8.998 -0.064) 10.337 15.156 ( -1.500 -0.808 0.023) 1.704 17.039 ( -2.792 0.189 -0.331) 2.817 17.112 ( -0.860 -0.846 0.348) 1.255 17.828 ( -1.070 3.321 0.643) 3.548 17.912 ( -3.265 -2.130 0.080) 3.899 18.803 ( -2.298 6.445 0.640) 6.872 18.964 ( -3.643 1.251 -0.724) 3.919 19.438 ( -5.039 -7.925 1.624) 9.531 19.546 ( -3.488 -8.367 -1.677) 9.218 21.687 ( -7.415 3.182 0.483) 8.083 21.874 ( -4.555 -2.137 -0.769) 5.090 22.231 ( -5.416 6.250 -0.396) 8.280 22.386 ( -11.760 2.621 -0.662) 12.067 22.634 ( 15.547 1.835 1.857) 15.765 22.900 ( 1.808 -5.174 0.846) 5.546 23.371 ( 13.245 6.157 -0.347) 14.610 23.772 ( 12.751 -6.576 -1.215) 14.399 ======================= Grid point 16 (11/72) ======================= q-point: ( 0.29 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.509 ( 15.607 17.004 9.203) 24.848 1.565 ( 18.723 15.310 -7.127) 25.214 2.288 ( 0.011 -2.900 0.089) 2.901 2.324 ( -1.394 -0.303 -1.250) 1.897 2.506 ( -7.296 2.079 -0.137) 7.588 2.575 ( -7.043 3.929 0.559) 8.084 2.592 ( -9.762 3.695 -3.646) 11.056 2.716 ( -1.539 1.534 -1.301) 2.533 2.773 ( 4.657 1.372 4.336) 6.509 2.842 ( 13.438 3.893 3.166) 14.344 2.862 ( -4.807 -4.063 -4.809) 7.921 3.014 ( 8.205 -3.954 1.349) 9.207 3.145 ( 1.968 3.558 3.439) 5.325 3.212 ( 1.004 0.617 0.794) 1.421 3.242 ( 3.625 -1.489 -0.926) 4.027 3.283 ( 5.299 3.137 -1.989) 6.471 3.332 ( 0.865 -2.471 -2.985) 3.971 3.484 ( 0.355 -5.426 1.404) 5.616 3.572 ( 7.248 5.816 4.673) 10.402 3.621 ( 2.506 -3.190 -6.896) 8.001 3.790 ( 4.180 -5.583 -2.120) 7.290 3.810 ( 2.075 -4.124 -2.192) 5.111 3.968 ( 5.435 -2.257 -2.417) 6.362 4.009 ( 2.862 -5.361 6.657) 9.014 4.173 ( 4.256 -0.441 1.529) 4.543 4.367 ( -7.762 -4.484 1.783) 9.140 4.450 ( 4.964 -0.495 4.208) 6.527 4.474 ( 1.620 1.876 1.272) 2.786 4.602 ( 1.757 2.660 -3.590) 4.801 4.673 ( -2.972 -0.991 3.598) 4.771 4.813 ( -0.764 1.657 -3.830) 4.243 4.943 ( -4.355 -4.196 -1.639) 6.266 5.079 ( -9.295 3.858 -1.867) 10.235 5.215 ( -9.789 0.105 -1.486) 9.902 5.406 ( 1.743 2.958 0.942) 3.560 5.693 ( 0.614 -1.492 2.132) 2.674 5.734 ( -0.472 -1.381 -0.281) 1.487 5.904 ( -0.021 -3.544 0.911) 3.659 6.214 ( 0.139 3.558 -2.959) 4.630 6.340 ( -0.821 0.597 -0.629) 1.194 6.852 ( 2.007 5.300 -2.602) 6.236 6.978 ( -0.452 6.569 2.326) 6.983 7.002 ( 1.957 5.993 4.024) 7.479 7.139 ( -1.631 4.683 1.275) 5.120 7.312 ( 2.831 -1.393 1.431) 3.464 7.358 ( -5.377 0.413 -5.899) 7.992 7.395 ( -2.609 -4.335 -0.480) 5.083 7.597 ( -1.106 1.771 2.598) 3.333 7.638 ( -6.659 0.086 -1.916) 6.930 7.741 ( -4.987 -6.211 -3.975) 8.902 7.798 ( 1.030 -4.756 4.396) 6.558 7.899 ( -0.597 4.804 1.785) 5.159 7.983 ( 1.023 2.446 0.114) 2.654 8.143 ( -1.768 -0.668 0.085) 1.892 8.208 ( 3.045 -3.926 -1.811) 5.288 8.280 ( 3.793 -2.250 -1.136) 4.554 8.348 ( -0.230 -3.627 0.342) 3.650 8.486 ( 0.295 -5.040 -1.807) 5.362 8.606 ( -3.158 -10.561 -2.451) 11.293 8.707 ( 0.168 -0.251 0.625) 0.694 8.765 ( -8.354 3.357 2.033) 9.230 8.834 ( -4.843 -5.785 4.604) 8.839 9.094 ( -1.826 -2.287 0.460) 2.963 9.190 ( 0.000 -0.549 -0.049) 0.551 9.399 ( 14.675 2.193 -0.734) 14.856 9.671 ( -0.303 4.178 6.434) 7.677 9.993 ( 0.507 11.026 -7.578) 13.389 10.264 ( 0.928 0.403 6.642) 6.719 10.359 ( 0.386 0.934 -13.276) 13.314 10.606 ( 1.958 -1.131 6.214) 6.613 10.808 ( 5.923 -6.430 -13.182) 15.818 10.994 ( -2.198 6.600 3.485) 7.780 11.240 ( 0.491 4.648 0.251) 4.680 11.299 ( 4.635 5.942 2.556) 7.958 11.537 ( 3.438 8.103 9.453) 12.916 11.916 ( 9.125 5.454 -2.056) 10.828 12.040 ( -11.044 -5.598 -7.117) 14.282 12.172 ( -4.258 -5.171 6.213) 9.136 12.319 ( -3.458 -2.123 2.073) 4.557 12.756 ( 7.134 -9.514 -3.553) 12.411 13.081 ( 0.491 5.479 5.284) 7.628 13.179 ( 2.772 -4.495 -0.657) 5.321 13.354 ( -0.416 -8.236 -2.552) 8.633 13.564 ( -1.188 -4.504 1.806) 4.996 13.860 ( 7.704 3.475 -0.580) 8.471 14.044 ( -1.423 6.816 0.626) 6.991 14.287 ( 1.028 1.153 -1.689) 2.289 14.581 ( -2.230 4.482 1.913) 5.359 14.732 ( -8.506 -4.234 0.959) 9.550 14.865 ( 11.923 -2.045 0.393) 12.103 15.027 ( -2.365 -11.162 -0.154) 11.411 15.200 ( 4.832 -4.629 -2.598) 7.178 16.983 ( -2.553 0.813 0.038) 2.679 17.090 ( -1.259 -1.706 0.030) 2.121 17.793 ( -2.513 3.209 0.619) 4.123 17.843 ( -3.339 0.871 0.082) 3.451 18.758 ( -1.869 4.981 1.082) 5.429 18.882 ( -4.480 0.804 -1.188) 4.704 19.336 ( -4.813 -4.724 1.683) 6.951 19.460 ( -4.854 -6.166 -1.681) 8.026 21.575 ( -3.321 1.581 0.270) 3.689 21.783 ( -5.042 -3.856 -0.318) 6.356 22.089 ( -8.328 5.294 -0.278) 9.872 22.170 ( -9.496 2.205 -0.241) 9.751 22.916 ( 12.879 0.610 1.507) 12.981 23.017 ( 8.059 -3.736 0.028) 8.883 23.628 ( 12.915 4.807 -0.110) 13.780 23.967 ( 6.394 -6.643 -1.058) 9.281 ======================= Grid point 17 (12/72) ======================= q-point: ( 0.43 0.29 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.850 ( 18.774 9.069 8.901) 22.670 1.939 ( 19.073 8.445 -4.900) 21.427 2.199 ( -14.368 5.838 -5.900) 16.593 2.275 ( -8.953 1.629 0.612) 9.120 2.345 ( -4.360 0.780 2.212) 4.951 2.389 ( -3.024 -0.198 -4.131) 5.123 2.504 ( -1.547 2.325 3.555) 4.521 2.645 ( -4.825 4.589 -0.897) 6.719 2.776 ( -0.148 -7.616 1.796) 7.826 2.795 ( -1.157 -6.690 -1.799) 7.024 3.076 ( 6.420 0.380 0.580) 6.457 3.127 ( 4.372 -7.480 -0.528) 8.680 3.190 ( -1.054 -1.826 2.697) 3.424 3.209 ( 0.665 0.884 1.651) 1.988 3.291 ( 1.206 -3.529 -1.701) 4.099 3.338 ( 1.167 -4.066 -1.198) 4.397 3.431 ( 4.459 -0.484 -3.404) 5.631 3.507 ( -0.614 4.826 3.399) 5.935 3.680 ( 5.456 -3.383 -5.132) 8.219 3.742 ( 9.707 11.310 3.383) 15.284 3.818 ( -0.633 -3.605 0.292) 3.671 3.864 ( 1.849 0.440 -4.505) 4.890 4.029 ( -2.982 -1.020 6.629) 7.340 4.072 ( 3.996 -2.427 -2.228) 5.179 4.136 ( -3.009 -2.673 0.437) 4.048 4.262 ( -2.740 -2.669 1.483) 4.102 4.503 ( 1.238 -0.188 1.515) 1.966 4.540 ( 4.185 0.995 0.150) 4.304 4.623 ( -0.334 1.406 4.569) 4.792 4.707 ( 2.357 -2.848 -4.868) 6.113 4.787 ( -2.276 0.029 -2.593) 3.450 4.870 ( -1.535 3.237 -0.467) 3.612 4.916 ( -3.461 0.363 0.555) 3.524 5.027 ( -9.166 2.561 -0.883) 9.558 5.442 ( 1.473 0.749 0.225) 1.668 5.689 ( -0.657 -2.591 1.653) 3.143 5.742 ( 0.748 1.204 -0.870) 1.663 5.904 ( -0.026 -3.371 0.584) 3.421 6.216 ( 0.235 5.161 -1.553) 5.395 6.326 ( -0.711 1.974 -0.207) 2.108 6.893 ( 1.494 10.673 -0.857) 10.811 6.997 ( 1.960 5.311 2.106) 6.040 7.041 ( 2.242 2.812 2.437) 4.344 7.108 ( -1.498 5.755 -0.320) 5.956 7.260 ( -4.063 0.572 -3.902) 5.662 7.354 ( -0.089 -0.848 1.447) 1.679 7.387 ( 0.849 -3.177 -0.095) 3.290 7.525 ( -1.287 0.037 -0.586) 1.414 7.581 ( -0.774 0.194 -0.328) 0.863 7.645 ( -3.748 -6.230 -1.959) 7.530 7.732 ( -6.672 2.308 3.433) 7.851 7.880 ( 1.225 -4.714 0.190) 4.874 8.050 ( 3.186 -2.382 -0.109) 3.980 8.135 ( -0.103 -2.860 0.569) 2.918 8.298 ( 4.531 -4.753 -0.647) 6.598 8.329 ( 2.462 -2.798 -0.854) 3.823 8.415 ( 3.066 -2.039 -2.088) 4.233 8.483 ( -0.238 6.235 -0.931) 6.308 8.530 ( -3.387 -11.125 -1.283) 11.700 8.638 ( -3.170 -3.540 0.542) 4.783 8.660 ( -4.705 -5.509 2.555) 7.682 8.764 ( -2.219 -5.532 3.100) 6.718 9.086 ( 1.135 -4.110 0.287) 4.274 9.164 ( -1.992 -3.498 -0.617) 4.073 9.595 ( 3.763 6.285 -0.915) 7.382 9.716 ( 4.785 2.453 4.036) 6.723 9.971 ( -2.029 10.576 -5.065) 11.901 10.274 ( -0.363 6.657 3.830) 7.689 10.377 ( 1.280 2.523 -4.678) 5.467 10.649 ( 2.143 0.619 2.347) 3.238 10.895 ( 2.978 -7.396 -11.125) 13.687 10.952 ( -1.942 -10.165 3.370) 10.884 11.238 ( 0.238 10.133 0.698) 10.160 11.448 ( 9.898 6.533 5.073) 12.899 11.546 ( -2.127 -2.624 7.795) 8.496 11.750 ( -14.208 -4.768 -7.826) 16.907 12.098 ( 6.846 8.189 0.674) 10.695 12.151 ( 1.930 -2.037 2.529) 3.778 12.278 ( -2.826 3.603 -1.660) 4.871 12.884 ( 4.451 -6.398 -1.751) 7.988 13.076 ( -0.461 6.861 7.788) 10.390 13.123 ( -4.678 -12.840 -5.885) 14.879 13.462 ( 6.981 -7.607 -0.750) 10.352 13.640 ( 8.745 5.387 0.351) 10.277 13.860 ( -11.130 8.635 0.804) 14.110 14.042 ( 4.520 -3.720 1.564) 6.059 14.240 ( -3.644 -1.231 -3.174) 4.987 14.499 ( -5.519 -10.415 -1.120) 11.840 14.703 ( 7.031 2.517 4.620) 8.781 14.898 ( -7.727 -2.915 -1.358) 8.369 15.116 ( 8.689 -2.892 1.683) 9.311 15.254 ( -0.197 -4.454 -2.821) 5.276 16.952 ( -0.675 1.236 0.155) 1.417 17.071 ( -0.540 -2.112 -0.088) 2.182 17.749 ( -1.511 3.262 0.214) 3.601 17.796 ( -1.423 2.928 0.039) 3.256 18.743 ( 0.181 3.681 0.968) 3.810 18.808 ( -2.698 0.999 -1.006) 3.047 19.273 ( -1.674 -2.767 0.828) 3.338 19.384 ( -2.449 -4.377 -0.808) 5.080 21.565 ( 1.711 -0.824 0.125) 1.903 21.681 ( -4.954 -3.978 -0.100) 6.354 21.984 ( -1.658 2.849 -0.208) 3.303 22.027 ( -5.157 1.679 0.021) 5.423 23.097 ( 5.324 0.019 0.803) 5.384 23.137 ( 3.365 -2.741 -0.293) 4.350 23.833 ( 7.297 2.649 0.048) 7.763 24.015 ( -0.494 -2.990 -0.470) 3.067 ======================= Grid point 21 (13/72) ======================= q-point: ( 0.00 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 0.000 23.004 0.000) 23.004 1.877 ( 0.000 22.926 0.000) 22.926 2.044 ( 0.000 -17.139 0.000) 17.139 2.278 ( 0.000 -14.538 0.000) 14.538 2.621 ( 0.000 4.245 0.000) 4.245 2.624 ( 0.000 6.217 0.000) 6.217 2.691 ( 0.000 1.902 0.000) 1.902 2.738 ( 0.000 -4.175 0.000) 4.175 2.865 ( 0.000 10.653 0.000) 10.653 2.954 ( 0.000 0.412 0.000) 0.412 2.971 ( 0.000 16.865 0.000) 16.865 3.015 ( 0.000 2.022 0.000) 2.022 3.056 ( 0.000 -2.235 0.000) 2.235 3.108 ( 0.000 -0.074 0.000) 0.074 3.154 ( 0.000 -5.669 0.000) 5.669 3.320 ( 0.000 4.639 0.000) 4.639 3.343 ( 0.000 -11.337 0.000) 11.337 3.359 ( 0.000 -6.605 0.000) 6.605 3.421 ( 0.000 4.972 0.000) 4.972 3.501 ( 0.000 2.659 0.000) 2.659 3.579 ( 0.000 -2.875 0.000) 2.875 3.679 ( 0.000 -11.713 0.000) 11.713 3.698 ( 0.000 11.920 0.000) 11.920 3.843 ( 0.000 -0.862 0.000) 0.862 3.868 ( 0.000 -1.595 0.000) 1.595 4.120 ( 0.000 -22.139 0.000) 22.139 4.387 ( 0.000 3.374 0.000) 3.374 4.455 ( 0.000 -1.655 0.000) 1.655 4.752 ( 0.000 3.540 0.000) 3.540 4.791 ( 0.000 -1.047 0.000) 1.047 4.984 ( 0.000 7.645 0.000) 7.645 5.105 ( 0.000 3.332 0.000) 3.332 5.142 ( 0.000 -7.248 0.000) 7.248 5.246 ( 0.000 -8.017 0.000) 8.017 5.570 ( 0.000 10.112 0.000) 10.112 5.712 ( 0.000 -2.931 0.000) 2.931 5.718 ( 0.000 2.757 0.000) 2.757 5.801 ( 0.000 -5.429 0.000) 5.429 6.213 ( 0.000 2.205 0.000) 2.205 6.293 ( 0.000 -5.137 0.000) 5.137 6.895 ( 0.000 7.051 0.000) 7.051 7.016 ( 0.000 0.609 0.000) 0.609 7.106 ( 0.000 -5.874 0.000) 5.874 7.136 ( 0.000 -3.642 0.000) 3.642 7.352 ( 0.000 10.323 0.000) 10.323 7.371 ( 0.000 2.868 0.000) 2.868 7.529 ( 0.000 -6.331 0.000) 6.331 7.560 ( 0.000 -3.340 0.000) 3.340 7.653 ( 0.000 0.329 0.000) 0.329 7.716 ( 0.000 -4.490 0.000) 4.490 7.847 ( 0.000 7.956 0.000) 7.956 7.946 ( 0.000 -0.058 0.000) 0.058 8.104 ( 0.000 3.089 0.000) 3.089 8.110 ( 0.000 3.406 0.000) 3.406 8.195 ( 0.000 -2.696 0.000) 2.696 8.319 ( 0.000 -13.819 0.000) 13.819 8.425 ( 0.000 7.517 0.000) 7.517 8.530 ( 0.000 0.088 0.000) 0.088 8.532 ( 0.000 -1.425 0.000) 1.425 8.555 ( 0.000 -4.764 0.000) 4.764 8.884 ( 0.000 1.044 0.000) 1.044 8.945 ( 0.000 -3.704 0.000) 3.704 8.951 ( 0.000 7.545 0.000) 7.545 9.094 ( 0.000 -4.764 0.000) 4.764 9.532 ( 0.000 12.897 0.000) 12.897 9.748 ( 0.000 -3.046 0.000) 3.046 10.089 ( 0.000 2.270 0.000) 2.270 10.125 ( 0.000 -4.603 0.000) 4.603 10.401 ( 0.000 4.124 0.000) 4.124 10.500 ( 0.000 -4.900 0.000) 4.900 10.867 ( 0.000 5.298 0.000) 5.298 10.915 ( 0.000 2.534 0.000) 2.534 11.282 ( 0.000 6.136 0.000) 6.136 11.400 ( 0.000 -2.022 0.000) 2.022 11.687 ( 0.000 10.656 0.000) 10.656 11.803 ( 0.000 0.215 0.000) 0.215 11.990 ( 0.000 -0.366 0.000) 0.366 12.031 ( 0.000 -5.232 0.000) 5.232 12.499 ( 0.000 -4.371 0.000) 4.371 12.511 ( 0.000 -6.496 0.000) 6.496 13.107 ( 0.000 5.605 0.000) 5.605 13.294 ( 0.000 7.125 0.000) 7.125 13.303 ( 0.000 -12.157 0.000) 12.157 13.456 ( 0.000 -8.386 0.000) 8.386 13.973 ( 0.000 6.263 0.000) 6.263 13.976 ( 0.000 4.001 0.000) 4.001 14.268 ( 0.000 12.689 0.000) 12.689 14.333 ( 0.000 4.194 0.000) 4.194 14.534 ( 0.000 -12.170 0.000) 12.170 14.557 ( 0.000 -13.771 0.000) 13.771 15.140 ( 0.000 2.385 0.000) 2.385 15.186 ( 0.000 -1.477 0.000) 1.477 17.081 ( 0.000 1.044 0.000) 1.044 17.105 ( 0.000 -1.031 0.000) 1.031 17.877 ( 0.000 0.909 0.000) 0.909 17.897 ( 0.000 -1.391 0.000) 1.391 18.970 ( 0.000 5.395 0.000) 5.395 19.022 ( 0.000 -0.012 0.000) 0.012 19.347 ( 0.000 -2.878 0.000) 2.878 19.399 ( 0.000 -6.899 0.000) 6.899 21.839 ( 0.000 3.050 0.000) 3.050 21.898 ( 0.000 -2.362 0.000) 2.362 22.391 ( 0.000 3.277 0.000) 3.277 22.450 ( 0.000 -1.626 0.000) 1.626 22.591 ( 0.000 7.184 0.000) 7.184 22.767 ( 0.000 -8.773 0.000) 8.773 23.387 ( 0.000 8.546 0.000) 8.546 23.534 ( 0.000 -5.173 0.000) 5.173 ======================= Grid point 22 (14/72) ======================= q-point: ( 0.14 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.683 ( 7.191 20.675 -0.612) 21.898 1.872 ( 0.540 22.494 0.160) 22.501 2.074 ( 2.836 -15.030 -0.812) 15.316 2.255 ( -1.855 -12.335 1.049) 12.518 2.598 ( 1.240 3.133 -0.983) 3.510 2.655 ( 1.409 -0.236 0.877) 1.676 2.733 ( 2.144 1.139 5.292) 5.823 2.759 ( -1.061 -0.525 1.505) 1.915 2.840 ( -9.225 0.019 1.832) 9.405 2.847 ( -4.394 1.676 -2.853) 5.500 2.916 ( -3.958 3.848 -5.423) 7.738 2.968 ( -0.526 7.602 -5.648) 9.485 3.137 ( 5.996 1.064 0.956) 6.164 3.160 ( 2.906 -0.837 -0.072) 3.025 3.184 ( 1.153 -0.142 -4.372) 4.524 3.273 ( 0.839 5.819 3.341) 6.762 3.358 ( -0.253 -5.829 1.082) 5.934 3.380 ( 0.399 -9.000 0.114) 9.010 3.497 ( 2.381 5.306 -2.843) 6.473 3.516 ( 9.579 8.157 3.795) 13.141 3.627 ( 3.925 -5.256 -2.115) 6.892 3.709 ( 2.298 7.489 2.805) 8.321 3.733 ( 5.190 -10.265 3.910) 12.149 3.864 ( 1.971 -2.293 -0.107) 3.026 3.992 ( 10.014 -0.211 0.654) 10.038 4.161 ( 3.219 -16.402 -0.218) 16.716 4.417 ( 2.880 2.711 1.526) 4.239 4.470 ( 1.592 -1.273 0.478) 2.094 4.733 ( -1.948 3.584 -1.953) 4.523 4.768 ( -2.849 -0.209 0.383) 2.882 4.895 ( -6.677 4.059 -2.498) 8.204 4.973 ( -8.377 -2.971 1.339) 8.989 5.179 ( -0.338 -0.338 -2.440) 2.486 5.254 ( -1.013 -5.637 -1.124) 5.837 5.558 ( -1.653 8.270 2.955) 8.936 5.674 ( -2.810 -2.606 3.277) 5.042 5.732 ( 1.285 2.482 -1.820) 3.335 5.813 ( 1.005 -4.615 -0.322) 4.734 6.232 ( 1.826 2.016 -1.443) 3.079 6.297 ( 0.527 -4.019 -1.077) 4.194 6.923 ( 2.492 6.798 -0.766) 7.281 7.021 ( 0.552 1.640 0.907) 1.954 7.121 ( 1.558 -6.114 -1.098) 6.404 7.140 ( -0.000 -4.029 3.808) 5.543 7.267 ( -3.326 10.104 0.578) 10.653 7.443 ( 0.723 -1.843 -4.108) 4.560 7.514 ( 0.768 2.222 -1.549) 2.815 7.578 ( -0.866 1.888 0.944) 2.282 7.655 ( 2.515 -4.469 1.159) 5.257 7.680 ( -3.177 -5.714 -0.162) 6.539 7.840 ( -1.455 5.421 -0.937) 5.691 7.886 ( -4.890 2.722 1.203) 5.724 8.059 ( -2.416 0.727 2.112) 3.290 8.126 ( -1.651 -3.484 -2.311) 4.495 8.219 ( 1.016 -0.588 1.405) 1.831 8.291 ( -2.807 -5.162 -0.886) 5.942 8.359 ( -6.327 -1.375 1.068) 6.562 8.413 ( -6.858 -2.542 1.430) 7.452 8.473 ( -2.438 4.111 -6.166) 7.801 8.603 ( 2.863 -5.069 2.380) 6.289 8.906 ( 0.786 3.796 1.272) 4.080 8.984 ( 1.244 -0.610 1.875) 2.331 9.072 ( 7.622 1.031 1.101) 7.770 9.133 ( 3.360 -3.918 0.421) 5.178 9.362 ( -9.725 12.879 -0.667) 16.152 9.641 ( -8.102 -10.983 2.843) 13.941 10.158 ( 7.565 8.525 -7.002) 13.376 10.250 ( 6.545 -0.109 -3.777) 7.557 10.380 ( -1.581 2.431 -2.957) 4.141 10.472 ( -1.153 -5.292 2.809) 6.101 10.886 ( -2.669 8.417 -0.187) 8.832 11.015 ( 11.184 -0.517 5.750) 12.586 11.289 ( -0.765 1.964 -5.397) 5.794 11.317 ( -5.108 -1.457 1.569) 5.539 11.707 ( 2.009 9.904 2.165) 10.335 11.836 ( 2.419 -1.053 2.158) 3.408 12.054 ( 7.816 3.204 -2.932) 8.941 12.139 ( 5.383 -2.695 2.692) 6.595 12.379 ( -10.681 -3.362 1.856) 11.350 12.438 ( -3.859 -9.316 -1.529) 10.199 13.074 ( -2.551 3.261 -0.837) 4.224 13.227 ( -6.016 -9.903 -3.464) 12.094 13.277 ( 0.419 7.043 3.606) 7.924 13.437 ( -0.109 -7.525 3.227) 8.189 13.976 ( -0.864 9.865 -3.303) 10.439 14.093 ( 5.754 0.037 -2.552) 6.295 14.342 ( 5.973 11.928 1.439) 13.417 14.476 ( 12.201 -0.596 1.535) 12.312 14.539 ( 6.984 -8.258 2.998) 11.223 14.634 ( 2.598 -12.990 0.080) 13.247 15.056 ( -7.675 2.784 -1.456) 8.293 15.121 ( -5.398 -2.626 -1.457) 6.177 17.057 ( -2.267 1.312 -0.099) 2.621 17.087 ( -1.715 -1.428 0.101) 2.233 17.869 ( -0.996 0.896 0.272) 1.367 17.883 ( -1.170 -0.740 0.722) 1.561 18.931 ( -3.667 4.751 -0.201) 6.005 18.979 ( -4.063 -0.155 -0.616) 4.112 19.322 ( -2.331 -1.846 0.442) 3.006 19.380 ( -1.945 -6.486 -0.241) 6.775 21.759 ( -6.929 3.415 0.203) 7.728 21.824 ( -6.072 -2.698 -0.212) 6.648 22.342 ( -6.450 4.194 -0.706) 7.726 22.400 ( -9.015 -1.090 -0.742) 9.111 22.689 ( 11.607 3.430 1.263) 12.169 22.783 ( 5.451 -5.391 1.040) 7.737 23.516 ( 10.993 6.921 -0.389) 12.996 23.650 ( 10.173 -5.759 -0.561) 11.703 ======================= Grid point 23 (15/72) ======================= q-point: ( 0.29 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.863 ( 10.792 15.520 3.387) 19.204 1.937 ( 6.919 18.335 -2.477) 19.753 2.148 ( 4.939 -10.523 -0.234) 11.627 2.244 ( 1.474 -9.024 -0.409) 9.152 2.565 ( -9.356 3.660 -1.498) 10.158 2.620 ( -11.812 0.221 -1.455) 11.904 2.663 ( -1.017 2.583 1.291) 3.061 2.674 ( -5.224 -2.756 4.315) 7.315 2.742 ( -4.071 -3.457 -4.674) 7.097 2.804 ( 2.987 -5.937 2.700) 7.173 2.860 ( -0.406 6.446 -1.874) 6.725 2.988 ( 1.731 -2.406 -3.130) 4.311 3.152 ( -1.623 -1.509 2.185) 3.112 3.170 ( -1.540 -2.969 -1.711) 3.757 3.251 ( 4.722 5.559 1.841) 7.522 3.348 ( 4.934 0.715 -0.714) 5.036 3.373 ( 0.762 2.219 -1.384) 2.724 3.447 ( 6.353 -5.956 -3.356) 9.333 3.567 ( 4.055 5.115 -0.048) 6.528 3.701 ( 3.227 -6.227 -1.751) 7.228 3.737 ( 11.240 9.315 1.982) 14.732 3.791 ( 6.483 3.681 2.059) 7.734 3.878 ( 9.395 -3.823 6.860) 12.245 3.931 ( 5.038 -3.654 1.921) 6.513 4.139 ( 2.726 -1.720 -1.532) 3.569 4.192 ( -0.308 -7.933 -0.250) 7.943 4.481 ( 3.055 1.828 3.891) 5.274 4.511 ( 2.408 -0.178 1.499) 2.842 4.668 ( -5.780 2.390 1.160) 6.362 4.686 ( -2.175 2.586 -4.365) 5.521 4.818 ( -2.419 -1.142 -5.280) 5.919 4.861 ( -1.065 -2.985 1.039) 3.335 5.122 ( -5.221 1.340 -1.770) 5.674 5.171 ( -7.126 -2.738 -2.276) 7.966 5.517 ( -2.297 6.008 3.613) 7.378 5.627 ( -1.978 -4.409 3.870) 6.191 5.764 ( 1.868 2.975 -1.456) 3.803 5.830 ( 0.759 -3.259 -0.030) 3.347 6.272 ( 2.072 2.127 -2.432) 3.838 6.315 ( 1.313 -2.028 -1.518) 2.853 6.971 ( 2.710 6.138 0.294) 6.716 7.046 ( 2.057 2.000 2.681) 3.927 7.130 ( -0.600 -3.180 2.940) 4.373 7.166 ( 2.717 -5.947 0.193) 6.541 7.230 ( -1.478 10.453 -1.432) 10.653 7.400 ( -3.621 -0.921 -7.993) 8.823 7.516 ( -1.926 8.720 1.928) 9.136 7.563 ( 0.051 -2.486 4.533) 5.171 7.619 ( -3.104 -2.359 -0.154) 3.902 7.706 ( 0.398 -0.910 -2.349) 2.550 7.757 ( -7.001 4.014 -0.664) 8.097 7.856 ( 2.826 -4.518 1.970) 5.682 7.949 ( -7.489 -4.500 -0.030) 8.737 8.055 ( -5.303 -9.431 -5.842) 12.296 8.206 ( -1.403 2.020 0.804) 2.587 8.252 ( 0.359 3.917 1.415) 4.181 8.262 ( 0.404 -4.211 0.274) 4.239 8.376 ( -2.139 -6.755 -2.282) 7.444 8.470 ( 2.785 5.413 0.450) 6.104 8.638 ( 0.748 -7.479 3.788) 8.417 8.894 ( -8.721 7.110 4.077) 11.968 8.926 ( -2.573 8.885 1.815) 9.427 9.019 ( -7.913 -4.534 -0.432) 9.130 9.114 ( -3.107 -7.599 2.439) 8.564 9.453 ( 13.270 5.175 -2.757) 14.508 9.614 ( 4.933 -8.019 -0.176) 9.416 10.224 ( -0.276 10.439 -12.071) 15.961 10.354 ( -0.102 3.144 4.243) 5.282 10.377 ( 5.663 1.723 -5.448) 8.045 10.516 ( 6.023 -8.227 4.951) 11.335 10.801 ( -5.578 9.883 -3.277) 11.812 11.070 ( -9.953 -9.521 -3.414) 14.191 11.259 ( 7.754 7.328 4.243) 11.481 11.383 ( 5.203 -0.054 0.643) 5.243 11.707 ( -4.029 5.124 5.390) 8.458 11.825 ( -5.707 -8.069 5.497) 11.310 12.143 ( -2.023 12.242 -3.163) 12.805 12.179 ( 3.188 5.457 0.956) 6.392 12.280 ( 4.931 -2.809 0.126) 5.676 12.472 ( 4.315 -16.314 -1.025) 16.906 13.045 ( -1.136 -0.037 1.031) 1.534 13.127 ( -1.848 -7.587 -5.159) 9.359 13.351 ( 6.706 8.352 1.305) 10.791 13.490 ( 6.003 -4.635 1.840) 7.804 13.966 ( 0.810 7.213 -1.312) 7.376 14.107 ( -2.825 -3.508 -2.153) 4.993 14.367 ( -5.011 7.546 0.779) 9.092 14.541 ( -10.638 -7.291 0.903) 12.929 14.688 ( 5.845 1.512 7.194) 9.392 14.775 ( 10.856 -7.010 3.986) 13.523 14.951 ( 0.778 4.323 -5.317) 6.897 15.075 ( 2.483 -6.540 -4.775) 8.470 17.010 ( -2.133 1.676 0.024) 2.713 17.050 ( -1.846 -1.978 -0.010) 2.706 17.839 ( -1.844 1.561 0.466) 2.461 17.859 ( -1.481 -0.043 0.926) 1.747 18.855 ( -3.580 3.519 -0.052) 5.021 18.892 ( -4.379 -0.189 -1.007) 4.497 19.273 ( -2.495 -0.400 0.558) 2.588 19.331 ( -2.805 -5.332 -0.336) 6.035 21.631 ( -5.444 3.318 0.129) 6.377 21.705 ( -5.918 -3.588 -0.047) 6.921 22.168 ( -9.820 2.399 -0.371) 10.116 22.194 ( -10.287 -0.013 -0.334) 10.293 22.931 ( 11.750 0.801 0.932) 11.814 22.957 ( 10.088 -1.927 0.446) 10.280 23.735 ( 10.723 5.123 -0.299) 11.888 23.844 ( 8.680 -5.287 -0.572) 10.180 ======================= Grid point 24 (16/72) ======================= q-point: ( 0.43 0.43 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.073 ( 11.220 10.126 9.233) 17.711 2.124 ( 10.656 8.336 -5.582) 14.636 2.244 ( 2.255 -2.767 -1.065) 3.725 2.312 ( 4.097 -3.932 -1.536) 5.883 2.340 ( -10.620 5.541 -5.364) 13.125 2.411 ( -7.983 1.119 -0.011) 8.061 2.524 ( -7.564 -1.557 6.230) 9.922 2.575 ( -6.905 -8.483 -1.940) 11.109 2.723 ( 0.475 3.025 -0.953) 3.207 2.792 ( -1.167 2.852 -0.051) 3.082 2.937 ( 3.875 -3.564 0.704) 5.312 3.025 ( 1.412 -5.523 -0.404) 5.715 3.128 ( -0.702 -2.979 1.249) 3.305 3.152 ( -0.225 -5.437 -0.826) 5.504 3.321 ( 2.423 6.841 1.697) 7.453 3.370 ( -0.602 3.837 -2.263) 4.495 3.442 ( 3.193 2.093 -1.386) 4.062 3.541 ( 3.271 -6.933 -0.625) 7.692 3.643 ( 3.224 2.863 0.623) 4.357 3.721 ( -0.810 -4.945 -0.275) 5.018 3.865 ( 4.281 1.717 -2.803) 5.398 3.922 ( 1.085 0.207 -0.742) 1.331 4.012 ( 4.484 4.332 5.676) 8.431 4.059 ( 5.227 0.741 3.851) 6.535 4.113 ( -1.429 -0.450 -1.600) 2.192 4.174 ( -0.488 -5.312 1.082) 5.443 4.513 ( 0.218 1.397 1.827) 2.310 4.570 ( 3.015 -3.207 3.731) 5.770 4.581 ( -1.690 2.154 -2.019) 3.402 4.651 ( -2.833 -3.488 -5.132) 6.821 4.834 ( 3.818 4.066 -1.624) 5.809 4.888 ( 1.884 0.056 -0.753) 2.030 4.998 ( -5.563 3.075 0.096) 6.357 5.036 ( -5.958 -1.089 -0.735) 6.102 5.484 ( -0.904 3.906 1.540) 4.295 5.597 ( -1.133 -5.798 1.489) 6.093 5.794 ( 0.992 2.675 -0.504) 2.897 5.842 ( 0.420 -2.240 0.228) 2.291 6.302 ( 1.001 2.764 -1.414) 3.262 6.335 ( 0.520 -0.575 -0.711) 1.052 7.049 ( 5.161 4.003 1.469) 6.695 7.093 ( 2.486 2.716 2.434) 4.414 7.123 ( -0.463 1.124 1.199) 1.708 7.182 ( -3.057 6.409 -1.614) 7.282 7.211 ( 1.313 -6.270 0.712) 6.446 7.322 ( -3.624 -2.464 -4.646) 6.387 7.453 ( -4.874 9.800 0.087) 10.945 7.548 ( -2.766 1.769 -0.706) 3.358 7.581 ( 1.461 1.442 5.047) 5.449 7.629 ( -0.740 -0.345 -3.586) 3.678 7.727 ( -0.320 -4.701 3.523) 5.883 7.782 ( -6.918 -6.384 -4.822) 10.577 7.951 ( 3.131 -1.669 1.205) 3.747 8.011 ( 0.077 -5.615 -1.840) 5.910 8.180 ( -0.763 0.421 0.612) 1.064 8.283 ( 1.524 -6.697 -0.915) 6.929 8.332 ( 2.426 0.494 0.153) 2.480 8.378 ( 6.436 -3.278 -0.474) 7.238 8.502 ( -0.786 1.984 -0.003) 2.134 8.612 ( -5.010 -4.220 0.932) 6.617 8.715 ( -7.114 4.166 3.452) 8.938 8.767 ( -6.114 0.972 1.927) 6.484 8.996 ( 1.471 -0.445 -1.353) 2.048 9.076 ( -1.427 -4.987 0.803) 5.249 9.667 ( 7.430 1.260 -1.381) 7.662 9.710 ( 2.681 -2.064 0.512) 3.422 10.205 ( -0.663 11.112 -5.272) 12.317 10.347 ( -0.157 -1.024 -0.186) 1.052 10.487 ( 5.341 6.469 3.353) 9.034 10.649 ( 2.196 -9.561 -2.567) 10.140 10.708 ( 1.140 5.145 1.222) 5.409 10.866 ( -10.073 -5.735 -4.496) 12.432 11.391 ( 4.593 5.851 3.834) 8.368 11.465 ( 3.079 0.219 -1.754) 3.550 11.601 ( -3.722 2.554 2.791) 5.307 11.665 ( -8.387 -4.424 3.741) 10.194 12.140 ( 1.383 6.421 -0.847) 6.623 12.286 ( 5.291 4.400 2.039) 7.178 12.347 ( -0.009 1.846 -2.965) 3.492 12.511 ( 0.268 -19.415 0.603) 19.426 13.034 ( 0.493 3.661 -0.238) 3.702 13.147 ( 1.525 -5.392 -2.114) 5.989 13.499 ( 6.590 9.934 0.174) 11.922 13.660 ( 10.270 -3.973 0.578) 11.027 13.980 ( -6.973 4.078 -0.600) 8.100 14.032 ( 2.595 0.703 0.102) 2.691 14.216 ( -7.776 -0.455 -0.189) 7.791 14.291 ( -10.438 -8.173 0.298) 13.260 14.758 ( 2.135 3.259 3.759) 5.414 14.836 ( -0.808 -3.401 0.929) 3.617 15.084 ( 7.170 0.497 -0.462) 7.202 15.144 ( 1.963 -4.823 -3.630) 6.347 16.985 ( -0.564 1.779 0.070) 1.868 17.026 ( -0.591 -2.100 -0.057) 2.182 17.810 ( -0.966 2.211 0.270) 2.428 17.832 ( -0.988 0.289 0.408) 1.108 18.811 ( -0.898 2.238 0.330) 2.434 18.827 ( -2.059 0.492 -0.817) 2.269 19.237 ( -1.027 0.078 0.292) 1.070 19.287 ( -1.441 -4.193 -0.200) 4.438 21.571 ( -0.810 1.214 0.060) 1.461 21.611 ( -3.462 -2.598 0.007) 4.328 22.029 ( -3.731 1.458 -0.132) 4.008 22.045 ( -4.580 -0.003 -0.106) 4.581 23.095 ( 4.793 -0.040 0.516) 4.821 23.102 ( 4.070 -0.746 -0.054) 4.138 23.892 ( 4.900 2.833 -0.090) 5.660 23.952 ( 2.515 -2.926 -0.247) 3.867 ======================= Grid point 49 (17/72) ======================= q-point: ( 0.00 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.525 ( 0.548 0.000 26.061) 26.066 0.634 ( -6.060 0.000 30.815) 31.405 1.020 ( 4.567 0.000 48.812) 49.025 2.125 ( -1.850 0.000 -23.497) 23.570 2.209 ( 4.532 0.000 -14.728) 15.409 2.422 ( -0.279 0.000 -0.235) 0.365 2.614 ( -3.069 0.000 -8.195) 8.750 2.691 ( 4.781 0.000 0.197) 4.785 2.835 ( -0.748 0.000 3.176) 3.263 2.880 ( 1.906 0.000 11.010) 11.174 2.920 ( 2.522 0.000 -0.748) 2.631 2.983 ( -6.196 0.000 5.741) 8.447 3.067 ( -0.043 0.000 -1.601) 1.601 3.129 ( 0.099 0.000 -1.545) 1.548 3.350 ( -1.045 0.000 12.328) 12.372 3.408 ( 0.168 0.000 -0.388) 0.423 3.521 ( -7.385 0.000 -4.248) 8.520 3.549 ( 0.577 0.000 -6.453) 6.479 3.585 ( -4.812 0.000 -8.009) 9.343 3.670 ( 8.126 0.000 -4.616) 9.345 3.710 ( -1.157 0.000 -6.348) 6.453 3.751 ( -6.882 0.000 -3.197) 7.589 3.918 ( 1.895 0.000 4.787) 5.149 4.057 ( 7.112 0.000 -3.549) 7.948 4.104 ( 0.952 0.000 -1.420) 1.709 4.216 ( 1.677 0.000 -7.865) 8.042 4.354 ( -0.015 0.000 6.150) 6.150 4.423 ( -2.619 0.000 4.571) 5.268 4.710 ( -1.693 0.000 -1.644) 2.360 4.786 ( 0.632 0.000 -4.774) 4.815 4.906 ( 4.772 0.000 2.220) 5.263 5.027 ( 0.664 0.000 4.767) 4.813 5.252 ( -8.090 0.000 0.009) 8.090 5.447 ( -4.024 0.000 3.306) 5.208 5.482 ( 0.394 0.000 3.091) 3.116 5.695 ( 2.988 0.000 -7.644) 8.207 6.003 ( -0.181 0.000 8.171) 8.173 6.108 ( -1.991 0.000 5.811) 6.143 6.219 ( 0.352 0.000 2.198) 2.227 6.411 ( 10.351 0.000 -3.087) 10.802 6.672 ( 1.373 0.000 8.331) 8.443 6.802 ( -1.131 0.000 -0.210) 1.151 6.883 ( -11.082 0.000 -4.331) 11.898 7.187 ( 7.664 0.000 -0.774) 7.703 7.342 ( -2.020 0.000 1.578) 2.563 7.390 ( 0.576 0.000 -1.151) 1.287 7.565 ( 0.571 0.000 -0.766) 0.955 7.626 ( -24.903 0.000 -0.015) 24.903 7.737 ( 4.506 0.000 1.769) 4.841 7.764 ( 4.604 0.000 -3.864) 6.011 7.871 ( -1.794 0.000 2.455) 3.041 7.930 ( -1.317 0.000 -6.192) 6.331 7.936 ( 15.900 0.000 -4.469) 16.516 7.951 ( -2.218 0.000 -3.496) 4.140 8.062 ( -2.011 0.000 6.957) 7.242 8.294 ( -3.133 0.000 9.706) 10.199 8.525 ( -5.675 0.000 3.438) 6.635 8.724 ( -1.378 0.000 -2.360) 2.733 8.778 ( -2.925 0.000 -1.117) 3.131 8.859 ( 1.996 0.000 0.317) 2.021 8.865 ( 7.809 0.000 5.863) 9.765 8.898 ( -3.606 0.000 2.820) 4.578 9.140 ( -2.267 0.000 4.535) 5.070 9.215 ( -2.973 0.000 -1.323) 3.254 9.335 ( 8.749 0.000 3.814) 9.544 9.421 ( -1.844 0.000 -2.618) 3.203 9.741 ( 6.135 0.000 -11.849) 13.343 9.968 ( 4.303 0.000 -4.480) 6.212 10.064 ( -4.856 0.000 -13.528) 14.373 10.405 ( -7.653 0.000 -5.157) 9.228 10.785 ( 0.308 0.000 8.780) 8.786 10.870 ( -0.550 0.000 5.170) 5.199 11.060 ( 0.331 0.000 -0.874) 0.934 11.096 ( 2.012 0.000 21.965) 22.057 11.589 ( -1.449 0.000 1.017) 1.770 11.729 ( 1.458 0.000 -11.891) 11.980 11.980 ( 14.652 0.000 -12.015) 18.948 12.087 ( -5.431 0.000 0.028) 5.431 12.227 ( 4.160 0.000 1.020) 4.283 12.787 ( 2.730 0.000 -3.360) 4.330 13.116 ( -2.979 0.000 -0.956) 3.129 13.350 ( 5.515 0.000 -3.633) 6.604 13.351 ( 0.819 0.000 2.854) 2.969 13.499 ( 1.188 0.000 9.888) 9.959 13.798 ( 14.425 0.000 -8.198) 16.592 13.874 ( -14.364 0.000 -2.656) 14.607 14.314 ( 0.838 0.000 -1.701) 1.896 14.331 ( -3.902 0.000 -3.266) 5.089 14.592 ( 2.183 0.000 11.380) 11.587 15.018 ( -1.558 0.000 -2.302) 2.780 15.052 ( -1.334 0.000 4.911) 5.089 15.560 ( 0.713 0.000 -6.795) 6.832 17.206 ( -1.570 0.000 7.565) 7.727 17.636 ( 0.579 0.000 -3.767) 3.811 17.644 ( 2.280 0.000 5.662) 6.104 18.035 ( -0.793 0.000 -2.207) 2.345 18.983 ( -0.877 0.000 4.485) 4.570 19.569 ( 1.637 0.000 -12.433) 12.540 20.027 ( -2.033 0.000 9.440) 9.657 20.416 ( 10.342 0.000 -2.919) 10.746 21.680 ( -1.188 0.000 0.287) 1.222 21.731 ( 7.333 0.000 -1.182) 7.428 21.983 ( 0.938 0.000 2.900) 3.048 22.183 ( -1.111 0.000 -2.021) 2.307 22.512 ( -15.669 0.000 0.580) 15.680 22.518 ( 4.285 0.000 0.820) 4.363 22.959 ( -1.280 0.000 0.627) 1.426 23.117 ( 0.633 0.000 -2.635) 2.710 ======================= Grid point 50 (18/72) ======================= q-point: ( 0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.762 ( 21.582 0.000 16.105) 26.929 0.817 ( 23.781 0.000 16.382) 28.878 1.583 ( 41.015 0.000 34.460) 53.570 2.112 ( 1.036 0.000 -20.234) 20.260 2.300 ( 3.936 0.000 -12.889) 13.477 2.437 ( 1.520 0.000 -0.620) 1.642 2.468 ( -9.264 0.000 -6.120) 11.103 2.731 ( -3.316 0.000 1.227) 3.536 2.787 ( -1.504 0.000 5.343) 5.551 2.827 ( -8.879 0.000 -2.054) 9.114 2.952 ( 2.526 0.000 -1.202) 2.798 3.053 ( 9.373 0.000 -0.680) 9.398 3.068 ( 1.859 0.000 9.417) 9.599 3.179 ( 4.847 0.000 -1.027) 4.954 3.277 ( -5.229 0.000 6.069) 8.011 3.367 ( -3.412 0.000 1.144) 3.599 3.422 ( -2.866 0.000 -2.555) 3.840 3.463 ( -3.696 0.000 1.164) 3.875 3.617 ( -6.410 0.000 -8.230) 10.432 3.681 ( 9.162 0.000 -7.422) 11.791 3.694 ( 0.704 0.000 -4.933) 4.983 3.823 ( 7.205 0.000 -7.611) 10.481 3.999 ( 2.058 0.000 2.378) 3.145 4.061 ( 0.714 0.000 1.784) 1.921 4.278 ( 6.853 0.000 -6.144) 9.204 4.305 ( 11.337 0.000 -1.085) 11.389 4.357 ( -3.582 0.000 4.567) 5.804 4.388 ( 3.082 0.000 3.838) 4.922 4.680 ( -0.707 0.000 -3.499) 3.570 4.761 ( -2.516 0.000 -2.282) 3.397 4.966 ( 0.822 0.000 3.469) 3.565 5.004 ( -4.081 0.000 4.260) 5.900 5.019 ( -8.859 0.000 11.226) 14.300 5.331 ( -7.154 0.000 -0.189) 7.157 5.425 ( -8.939 0.000 -1.737) 9.106 5.737 ( 1.032 0.000 -5.637) 5.731 5.988 ( -1.338 0.000 7.197) 7.320 6.052 ( -3.633 0.000 3.947) 5.364 6.213 ( -0.805 0.000 2.751) 2.866 6.331 ( -12.137 0.000 10.218) 15.866 6.632 ( -2.540 0.000 6.110) 6.617 6.720 ( -0.211 0.000 -7.492) 7.495 6.880 ( 6.378 0.000 1.990) 6.681 7.158 ( -7.652 0.000 5.925) 9.678 7.353 ( -3.746 0.000 -0.881) 3.848 7.354 ( 5.177 0.000 -1.349) 5.350 7.395 ( -3.675 0.000 -1.615) 4.014 7.572 ( -1.162 0.000 -0.111) 1.167 7.812 ( -0.247 0.000 -1.070) 1.098 7.840 ( 2.812 0.000 0.093) 2.814 7.869 ( -4.295 0.000 -2.076) 4.771 7.901 ( 4.603 0.000 3.152) 5.579 7.963 ( 6.037 0.000 -5.445) 8.130 8.066 ( 2.237 0.000 0.927) 2.421 8.165 ( 6.747 0.000 -4.157) 7.924 8.220 ( -3.719 0.000 5.494) 6.634 8.359 ( -8.764 0.000 6.531) 10.930 8.630 ( -5.571 0.000 1.767) 5.845 8.746 ( -1.100 0.000 1.773) 2.087 8.830 ( -2.913 0.000 -3.455) 4.519 8.937 ( 4.982 0.000 1.961) 5.354 9.046 ( 9.517 0.000 6.486) 11.517 9.175 ( 3.745 0.000 3.070) 4.842 9.206 ( 2.434 0.000 1.246) 2.734 9.408 ( 0.316 0.000 -4.072) 4.084 9.449 ( 2.828 0.000 6.555) 7.138 9.889 ( 7.548 0.000 -6.881) 10.214 9.916 ( -1.328 0.000 -17.762) 17.811 10.179 ( 4.765 0.000 -1.210) 4.916 10.323 ( 0.594 0.000 -10.227) 10.244 10.773 ( -1.186 0.000 8.328) 8.412 10.845 ( -2.402 0.000 5.211) 5.738 11.073 ( 2.200 0.000 -1.302) 2.556 11.181 ( 6.765 0.000 20.556) 21.641 11.583 ( 1.313 0.000 3.852) 4.070 11.728 ( -0.272 0.000 -10.608) 10.611 11.978 ( -5.475 0.000 -6.043) 8.154 12.350 ( 7.370 0.000 3.496) 8.157 12.429 ( 12.899 0.000 -29.646) 32.331 12.804 ( -0.564 0.000 -4.034) 4.073 13.162 ( -0.747 0.000 0.932) 1.195 13.376 ( 5.703 0.000 -2.763) 6.337 13.460 ( 5.337 0.000 -1.468) 5.535 13.571 ( -15.049 0.000 -1.141) 15.093 13.652 ( 19.243 0.000 6.751) 20.393 14.067 ( 8.035 0.000 -4.376) 9.149 14.201 ( -10.868 0.000 -2.562) 11.166 14.309 ( 5.665 0.000 -9.876) 11.385 14.509 ( -8.770 0.000 13.320) 15.947 15.025 ( -0.012 0.000 -4.502) 4.502 15.138 ( 7.886 0.000 3.046) 8.454 15.506 ( -4.567 0.000 -0.528) 4.598 17.165 ( -3.069 0.000 6.964) 7.610 17.510 ( -11.731 0.000 16.045) 19.876 17.634 ( -0.588 0.000 -3.219) 3.272 17.957 ( -6.884 0.000 -2.921) 7.478 18.928 ( -5.310 0.000 4.452) 6.930 19.365 ( -41.714 0.000 38.647) 56.866 19.538 ( -4.139 0.000 -11.065) 11.814 19.846 ( -14.755 0.000 4.885) 15.543 21.682 ( 0.764 0.000 -0.477) 0.901 21.869 ( -2.526 0.000 -1.104) 2.757 21.941 ( -3.452 0.000 2.111) 4.046 22.142 ( -2.755 0.000 -1.034) 2.943 22.718 ( 14.131 0.000 4.215) 14.746 23.004 ( 5.849 0.000 0.404) 5.863 23.221 ( 10.987 0.000 -4.042) 11.707 23.464 ( 44.312 0.000 -43.247) 61.918 ======================= Grid point 51 (19/72) ======================= q-point: ( 0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.261 ( 27.475 0.000 5.730) 28.066 1.307 ( 25.562 0.000 8.888) 27.063 2.137 ( 1.478 0.000 -13.234) 13.316 2.291 ( -6.847 0.000 -11.154) 13.088 2.320 ( -3.863 0.000 -2.122) 4.408 2.368 ( 26.553 0.000 9.651) 28.252 2.466 ( 1.528 0.000 -2.069) 2.572 2.597 ( -8.233 0.000 0.758) 8.267 2.617 ( -1.240 0.000 3.194) 3.427 2.830 ( 3.740 0.000 1.378) 3.986 2.986 ( -0.046 0.000 -3.439) 3.439 3.132 ( 3.757 0.000 9.897) 10.586 3.217 ( 0.524 0.000 4.506) 4.537 3.229 ( 8.030 0.000 -0.341) 8.037 3.276 ( 1.624 0.000 3.845) 4.174 3.318 ( 1.304 0.000 -1.792) 2.216 3.410 ( 1.995 0.000 -3.017) 3.617 3.448 ( 1.332 0.000 4.359) 4.558 3.522 ( -2.933 0.000 -9.682) 10.117 3.705 ( 0.675 0.000 -4.781) 4.828 3.873 ( 7.697 0.000 -1.090) 7.773 3.920 ( 2.328 0.000 -7.938) 8.272 3.991 ( 0.496 0.000 -0.380) 0.625 4.072 ( 0.131 0.000 1.504) 1.509 4.307 ( -1.141 0.000 4.469) 4.613 4.435 ( 6.027 0.000 0.556) 6.053 4.457 ( 4.218 0.000 -3.476) 5.466 4.501 ( 7.365 0.000 3.604) 8.199 4.658 ( -2.383 0.000 -3.260) 4.038 4.713 ( -1.842 0.000 0.751) 1.989 4.872 ( -5.119 0.000 4.240) 6.647 4.925 ( -4.915 0.000 4.038) 6.362 4.968 ( -1.798 0.000 5.249) 5.549 5.160 ( -15.938 0.000 0.405) 15.943 5.226 ( -2.362 0.000 -5.064) 5.587 5.720 ( -2.645 0.000 -6.001) 6.558 5.961 ( -1.473 0.000 5.123) 5.330 5.997 ( -1.592 0.000 2.076) 2.616 6.173 ( -5.111 0.000 9.574) 10.853 6.194 ( -1.258 0.000 3.328) 3.557 6.611 ( -0.106 0.000 4.593) 4.594 6.754 ( 3.094 0.000 -7.518) 8.130 7.003 ( 6.085 0.000 2.874) 6.730 7.053 ( -4.643 0.000 3.725) 5.953 7.258 ( -6.234 0.000 -1.892) 6.515 7.323 ( -2.417 0.000 -3.594) 4.331 7.455 ( 4.762 0.000 -2.298) 5.288 7.510 ( -4.386 0.000 3.053) 5.344 7.710 ( -5.596 0.000 -9.535) 11.056 7.841 ( -2.026 0.000 -3.217) 3.802 7.848 ( -2.910 0.000 0.810) 3.020 7.960 ( -0.573 0.000 -0.741) 0.936 8.081 ( 4.410 0.000 4.818) 6.531 8.111 ( 4.247 0.000 0.988) 4.360 8.210 ( -3.868 0.000 4.353) 5.824 8.218 ( 4.651 0.000 -1.347) 4.842 8.286 ( 2.461 0.000 3.582) 4.346 8.544 ( -2.853 0.000 2.396) 3.726 8.716 ( -2.527 0.000 3.764) 4.533 8.773 ( -2.767 0.000 -3.687) 4.609 9.029 ( 3.956 0.000 0.876) 4.052 9.208 ( 5.890 0.000 5.438) 8.016 9.272 ( 6.621 0.000 1.886) 6.884 9.311 ( 8.138 0.000 3.175) 8.736 9.421 ( 1.223 0.000 -4.348) 4.517 9.458 ( -1.550 0.000 3.900) 4.197 9.925 ( 1.685 0.000 -12.040) 12.157 9.938 ( -2.600 0.000 1.565) 3.034 10.227 ( 1.597 0.000 -0.005) 1.597 10.447 ( 11.026 0.000 -12.027) 16.316 10.729 ( -3.753 0.000 6.305) 7.337 10.796 ( -2.310 0.000 4.030) 4.645 11.158 ( 6.748 0.000 -2.990) 7.381 11.380 ( 13.590 0.000 16.026) 21.013 11.664 ( 7.164 0.000 8.219) 10.903 11.739 ( 1.697 0.000 -9.482) 9.633 11.851 ( -8.277 0.000 -10.008) 12.987 12.452 ( -7.354 0.000 -15.900) 17.518 12.478 ( 4.886 0.000 6.204) 7.897 12.743 ( -5.713 0.000 -0.219) 5.717 13.020 ( -5.176 0.000 3.308) 6.142 13.313 ( -9.874 0.000 -2.291) 10.136 13.541 ( 1.129 0.000 3.701) 3.869 13.680 ( 18.453 0.000 -11.410) 21.696 13.938 ( -9.671 0.000 -4.162) 10.528 14.046 ( -5.067 0.000 -6.601) 8.322 14.135 ( 23.568 0.000 6.702) 24.503 14.337 ( -6.959 0.000 11.920) 13.803 14.597 ( 18.256 0.000 -10.225) 20.925 14.955 ( -7.127 0.000 -6.269) 9.492 15.271 ( 4.566 0.000 1.549) 4.822 15.393 ( -8.305 0.000 0.532) 8.322 17.091 ( -4.348 0.000 7.894) 9.012 17.343 ( -5.501 0.000 16.380) 17.280 17.622 ( -0.254 0.000 -2.407) 2.420 17.798 ( -8.766 0.000 -3.418) 9.409 18.796 ( -6.428 0.000 7.638) 9.983 18.982 ( -8.610 0.000 16.045) 18.209 19.434 ( -5.608 0.000 -7.553) 9.407 19.558 ( -13.596 0.000 -1.936) 13.733 21.704 ( 1.789 0.000 -1.488) 2.327 21.772 ( -5.383 0.000 2.599) 5.977 21.902 ( -1.574 0.000 -0.929) 1.828 22.064 ( -5.423 0.000 0.209) 5.427 22.990 ( 12.682 0.000 6.152) 14.095 23.153 ( 8.422 0.000 1.735) 8.599 23.462 ( 13.571 0.000 -4.331) 14.246 23.899 ( 8.647 0.000 -25.409) 26.840 ======================= Grid point 52 (20/72) ======================= q-point: ( 0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.759 ( 20.498 0.000 4.791) 21.050 1.770 ( 24.499 0.000 3.116) 24.697 2.017 ( -16.037 0.000 -5.986) 17.117 2.095 ( -13.614 0.000 0.873) 13.642 2.277 ( 0.150 0.000 -7.876) 7.877 2.359 ( -0.318 0.000 -11.709) 11.713 2.436 ( -1.843 0.000 -3.123) 3.626 2.441 ( -7.359 0.000 -3.361) 8.090 2.892 ( 1.688 0.000 -1.849) 2.504 2.968 ( -0.479 0.000 -3.560) 3.592 3.068 ( 15.174 0.000 8.578) 17.431 3.148 ( -3.874 0.000 2.048) 4.382 3.262 ( 2.423 0.000 6.377) 6.822 3.319 ( 5.819 0.000 -0.200) 5.823 3.352 ( 3.686 0.000 1.904) 4.149 3.400 ( 5.606 0.000 1.796) 5.887 3.468 ( 0.546 0.000 -2.575) 2.632 3.497 ( 3.431 0.000 3.571) 4.953 3.543 ( 9.923 0.000 -0.627) 9.943 3.707 ( 0.525 0.000 -5.822) 5.845 3.896 ( -1.455 0.000 4.609) 4.833 3.904 ( -3.802 0.000 -6.393) 7.438 4.041 ( -5.387 0.000 5.723) 7.860 4.107 ( 7.048 0.000 1.338) 7.173 4.316 ( 1.993 0.000 -0.078) 1.994 4.462 ( -9.964 0.000 8.380) 13.019 4.464 ( -1.491 0.000 -0.813) 1.698 4.509 ( 0.116 0.000 -5.402) 5.404 4.630 ( 2.051 0.000 3.597) 4.141 4.673 ( -4.031 0.000 5.914) 7.157 4.782 ( -7.359 0.000 -3.855) 8.308 4.852 ( -0.869 0.000 -0.246) 0.903 4.941 ( 4.690 0.000 3.492) 5.847 5.012 ( -1.589 0.000 2.339) 2.828 5.237 ( 2.457 0.000 -8.238) 8.597 5.655 ( -2.951 0.000 -7.417) 7.983 5.937 ( -1.073 0.000 3.677) 3.831 5.997 ( 1.397 0.000 0.874) 1.647 6.109 ( -2.228 0.000 7.728) 8.042 6.166 ( -1.689 0.000 3.755) 4.118 6.614 ( -0.057 0.000 4.209) 4.209 6.831 ( 5.145 0.000 -3.688) 6.331 6.963 ( -4.471 0.000 2.371) 5.061 7.072 ( -3.678 0.000 -0.741) 3.752 7.156 ( 1.707 0.000 -2.329) 2.888 7.313 ( 1.118 0.000 -6.549) 6.644 7.439 ( -3.724 0.000 6.456) 7.453 7.538 ( 3.593 0.000 -3.299) 4.877 7.658 ( 0.724 0.000 -9.509) 9.536 7.754 ( -5.529 0.000 -0.676) 5.570 7.787 ( -1.799 0.000 -3.287) 3.747 7.885 ( -5.346 0.000 -0.866) 5.416 8.137 ( 1.171 0.000 5.114) 5.246 8.184 ( 0.516 0.000 3.601) 3.637 8.200 ( 3.727 0.000 4.174) 5.596 8.282 ( -2.461 0.000 2.299) 3.368 8.350 ( 7.659 0.000 -2.410) 8.029 8.528 ( 0.388 0.000 2.932) 2.958 8.644 ( -4.722 0.000 3.830) 6.081 8.742 ( -0.047 0.000 -1.939) 1.940 9.078 ( 1.181 0.000 0.235) 1.204 9.254 ( -1.161 0.000 -1.097) 1.597 9.382 ( 3.853 0.000 2.042) 4.361 9.402 ( -4.088 0.000 2.435) 4.758 9.479 ( 4.854 0.000 0.315) 4.864 9.493 ( 9.539 0.000 2.468) 9.853 9.833 ( -7.494 0.000 3.810) 8.407 9.942 ( -0.054 0.000 -3.312) 3.313 10.282 ( 4.547 0.000 0.457) 4.569 10.643 ( 7.255 0.000 -3.559) 8.081 10.646 ( -4.496 0.000 1.937) 4.896 10.767 ( 0.044 0.000 1.246) 1.247 11.314 ( 7.440 0.000 -6.668) 9.991 11.655 ( -9.352 0.000 -15.231) 17.873 11.665 ( 12.931 0.000 7.347) 14.873 11.756 ( -1.695 0.000 -7.344) 7.537 11.841 ( 9.271 0.000 11.337) 14.645 12.215 ( -11.407 0.000 -0.052) 11.407 12.501 ( -2.913 0.000 12.747) 13.076 12.667 ( -2.095 0.000 -5.505) 5.890 12.992 ( 0.734 0.000 -1.131) 1.348 13.227 ( 1.133 0.000 -3.699) 3.869 13.486 ( -6.352 0.000 4.748) 7.930 13.741 ( -7.126 0.000 -0.630) 7.153 13.957 ( -3.650 0.000 -8.537) 9.284 13.983 ( 10.346 0.000 -9.092) 13.774 14.265 ( -0.662 0.000 8.815) 8.840 14.602 ( 18.723 0.000 1.734) 18.803 14.816 ( -2.029 0.000 -5.199) 5.581 14.922 ( 14.501 0.000 -5.422) 15.481 15.156 ( -16.093 0.000 -0.000) 16.093 15.282 ( -3.620 0.000 -2.135) 4.203 17.034 ( -1.326 0.000 9.255) 9.349 17.282 ( -1.920 0.000 12.724) 12.868 17.633 ( -0.519 0.000 -3.079) 3.122 17.656 ( -3.041 0.000 -1.846) 3.558 18.724 ( -1.705 0.000 5.772) 6.019 18.878 ( -3.177 0.000 9.506) 10.023 19.322 ( -6.189 0.000 -4.414) 7.602 19.399 ( -1.352 0.000 -6.160) 6.307 21.690 ( -3.105 0.000 1.878) 3.628 21.758 ( 4.049 0.000 -2.280) 4.647 21.885 ( 0.166 0.000 -0.148) 0.222 21.950 ( -5.823 0.000 0.797) 5.878 23.158 ( 3.855 0.000 5.504) 6.720 23.283 ( 4.260 0.000 3.609) 5.584 23.691 ( 8.582 0.000 -6.923) 11.026 23.939 ( -1.159 0.000 -13.607) 13.656 ======================= Grid point 53 (21/72) ======================= q-point: (-0.43 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.592 ( -24.093 0.000 -2.397) 24.212 1.742 ( -21.189 0.000 3.925) 21.549 2.083 ( 10.415 0.000 0.091) 10.416 2.229 ( 20.959 0.000 1.599) 21.020 2.296 ( -0.298 0.000 -3.996) 4.007 2.354 ( -3.080 0.000 -6.234) 6.953 2.388 ( 5.111 0.000 -8.257) 9.711 2.430 ( 2.388 0.000 -9.749) 10.037 2.886 ( -1.323 0.000 -0.797) 1.545 2.978 ( 0.744 0.000 -3.016) 3.107 3.020 ( -10.065 0.000 4.175) 10.896 3.154 ( -6.070 0.000 5.375) 8.108 3.272 ( -1.488 0.000 4.245) 4.498 3.334 ( -12.460 0.000 8.959) 15.346 3.362 ( -2.043 0.000 5.250) 5.633 3.376 ( -2.297 0.000 -7.064) 7.428 3.419 ( -1.549 0.000 -1.947) 2.488 3.532 ( -0.317 0.000 3.252) 3.267 3.711 ( -4.936 0.000 -9.218) 10.457 3.792 ( 8.266 0.000 -5.201) 9.766 3.817 ( 9.559 0.000 4.119) 10.409 3.858 ( -2.560 0.000 4.814) 5.453 4.061 ( 4.701 0.000 2.858) 5.501 4.175 ( -0.440 0.000 4.591) 4.613 4.209 ( -4.732 0.000 2.001) 5.138 4.360 ( -9.464 0.000 -7.434) 12.035 4.458 ( -3.519 0.000 -0.105) 3.521 4.524 ( 2.318 0.000 -2.314) 3.275 4.586 ( -3.887 0.000 3.695) 5.363 4.684 ( 7.323 0.000 10.306) 12.643 4.803 ( 10.830 0.000 -2.678) 11.156 4.847 ( -1.202 0.000 0.289) 1.236 4.959 ( -3.267 0.000 0.556) 3.314 5.074 ( 6.915 0.000 5.999) 9.154 5.287 ( 3.151 0.000 -8.146) 8.734 5.627 ( 0.074 0.000 -8.272) 8.272 5.923 ( -0.413 0.000 3.503) 3.527 6.043 ( 3.154 0.000 0.694) 3.230 6.085 ( -0.532 0.000 7.086) 7.105 6.139 ( -0.927 0.000 4.609) 4.701 6.600 ( -1.470 0.000 3.432) 3.734 6.867 ( -2.501 0.000 0.222) 2.511 6.975 ( -3.416 0.000 -3.291) 4.744 6.984 ( 8.209 0.000 0.542) 8.227 7.254 ( 3.949 0.000 -2.426) 4.634 7.325 ( -0.558 0.000 -7.058) 7.080 7.373 ( -0.177 0.000 6.219) 6.222 7.583 ( 0.389 0.000 -7.573) 7.583 7.638 ( -5.105 0.000 3.790) 6.358 7.696 ( 2.350 0.000 -9.742) 10.021 7.823 ( 5.315 0.000 0.904) 5.391 7.852 ( 2.418 0.000 -4.129) 4.785 8.114 ( -3.817 0.000 4.749) 6.093 8.151 ( -4.782 0.000 2.309) 5.310 8.239 ( 0.281 0.000 6.687) 6.693 8.269 ( 1.978 0.000 1.657) 2.581 8.440 ( -1.388 0.000 -1.757) 2.239 8.535 ( 0.330 0.000 2.410) 2.433 8.604 ( 4.069 0.000 4.057) 5.746 8.769 ( 2.423 0.000 -0.999) 2.621 9.084 ( -0.281 0.000 1.503) 1.529 9.183 ( -5.510 0.000 -3.142) 6.343 9.303 ( -6.180 0.000 1.017) 6.263 9.415 ( -0.894 0.000 3.858) 3.960 9.554 ( 1.953 0.000 0.873) 2.139 9.601 ( -3.030 0.000 4.978) 5.828 9.714 ( -0.895 0.000 -2.932) 3.066 9.942 ( 0.722 0.000 0.017) 0.722 10.370 ( 2.904 0.000 2.751) 4.000 10.586 ( -0.648 0.000 -2.434) 2.519 10.666 ( -1.924 0.000 -2.097) 2.846 10.845 ( 5.757 0.000 4.776) 7.481 11.257 ( -11.311 0.000 -8.058) 13.888 11.553 ( -16.874 0.000 3.880) 17.314 11.631 ( 4.173 0.000 -8.294) 9.285 11.773 ( -0.753 0.000 -8.681) 8.714 12.002 ( 7.397 0.000 3.693) 8.267 12.260 ( 12.732 0.000 5.936) 14.048 12.411 ( -5.456 0.000 14.519) 15.510 12.637 ( -0.934 0.000 -9.246) 9.293 13.025 ( 2.523 0.000 -0.385) 2.552 13.276 ( -0.588 0.000 -0.944) 1.112 13.383 ( -0.394 0.000 -1.550) 1.599 13.680 ( -0.068 0.000 -3.222) 3.222 13.919 ( 0.849 0.000 -5.125) 5.195 14.002 ( -6.915 0.000 -5.423) 8.788 14.293 ( 2.542 0.000 6.101) 6.610 14.558 ( -18.560 0.000 0.380) 18.564 14.930 ( 1.786 0.000 -4.680) 5.009 15.044 ( -7.336 0.000 -1.275) 7.446 15.083 ( 15.752 0.000 -0.630) 15.764 15.207 ( 1.672 0.000 -4.065) 4.395 17.052 ( 3.177 0.000 11.238) 11.679 17.260 ( -0.941 0.000 10.413) 10.455 17.572 ( -1.506 0.000 -4.264) 4.523 17.726 ( 6.001 0.000 -0.250) 6.006 18.718 ( 1.114 0.000 7.991) 8.068 18.868 ( 1.773 0.000 7.037) 7.257 19.262 ( 0.648 0.000 -6.891) 6.922 19.462 ( 7.391 0.000 -3.574) 8.210 21.658 ( -0.154 0.000 0.399) 0.427 21.822 ( -1.045 0.000 -0.255) 1.076 21.891 ( 3.303 0.000 -1.078) 3.475 21.914 ( 2.767 0.000 1.211) 3.020 23.129 ( -6.895 0.000 4.565) 8.269 23.298 ( -2.827 0.000 3.965) 4.870 23.679 ( -8.976 0.000 -7.393) 11.628 23.967 ( 3.747 0.000 -12.524) 13.073 ======================= Grid point 54 (22/72) ======================= q-point: (-0.29 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.121 ( -24.188 0.000 4.503) 24.604 1.284 ( -25.870 0.000 7.799) 27.020 2.162 ( -0.038 0.000 -11.342) 11.342 2.271 ( -5.416 0.000 -11.148) 12.395 2.357 ( -24.439 0.000 1.778) 24.503 2.359 ( 7.068 0.000 -1.330) 7.192 2.534 ( 7.584 0.000 -5.616) 9.437 2.548 ( -11.579 0.000 12.137) 16.774 2.595 ( 7.937 0.000 -1.748) 8.127 2.866 ( -0.386 0.000 2.723) 2.750 2.969 ( -2.035 0.000 -1.717) 2.662 2.990 ( -2.861 0.000 8.477) 8.947 3.241 ( -1.415 0.000 1.598) 2.134 3.251 ( -2.640 0.000 -0.446) 2.677 3.293 ( -4.261 0.000 6.491) 7.765 3.319 ( -0.871 0.000 -1.884) 2.075 3.451 ( 3.501 0.000 -3.003) 4.613 3.525 ( 0.066 0.000 4.675) 4.676 3.721 ( 2.767 0.000 -12.176) 12.486 3.776 ( -4.759 0.000 2.533) 5.391 3.848 ( -4.493 0.000 -3.121) 5.470 3.969 ( 5.163 0.000 -2.756) 5.852 4.066 ( -3.021 0.000 6.539) 7.204 4.082 ( -8.854 0.000 -5.750) 10.557 4.162 ( -7.102 0.000 -4.029) 8.165 4.222 ( 0.241 0.000 -1.392) 1.413 4.394 ( 1.026 0.000 0.495) 1.140 4.499 ( -4.703 0.000 5.539) 7.266 4.612 ( 5.167 0.000 -3.589) 6.291 4.742 ( -1.699 0.000 3.870) 4.227 4.811 ( -1.332 0.000 -1.745) 2.195 4.918 ( 1.867 0.000 3.733) 4.174 5.076 ( 9.049 0.000 0.949) 9.099 5.252 ( 13.631 0.000 8.110) 15.861 5.367 ( 5.235 0.000 -2.051) 5.622 5.637 ( 0.861 0.000 -9.065) 9.106 5.928 ( 1.075 0.000 4.823) 4.942 6.091 ( 1.058 0.000 7.609) 7.682 6.107 ( 2.753 0.000 3.140) 4.176 6.141 ( 1.270 0.000 4.010) 4.207 6.577 ( -0.454 0.000 2.433) 2.475 6.840 ( 0.219 0.000 -1.131) 1.152 6.930 ( -2.097 0.000 0.261) 2.113 7.171 ( 9.324 0.000 4.182) 10.219 7.259 ( 0.675 0.000 -1.767) 1.891 7.297 ( -0.814 0.000 -5.504) 5.564 7.477 ( -5.545 0.000 -1.172) 5.667 7.499 ( 9.092 0.000 2.374) 9.397 7.678 ( 4.131 0.000 -6.196) 7.446 7.723 ( -0.453 0.000 -8.619) 8.631 7.906 ( 1.561 0.000 -3.030) 3.408 7.925 ( 3.561 0.000 1.301) 3.791 8.012 ( -5.200 0.000 3.380) 6.202 8.040 ( -6.227 0.000 1.458) 6.395 8.227 ( -1.360 0.000 6.560) 6.699 8.334 ( 4.801 0.000 4.073) 6.296 8.364 ( -3.768 0.000 1.927) 4.232 8.555 ( 2.029 0.000 1.132) 2.324 8.756 ( 9.059 0.000 5.297) 10.494 8.809 ( 1.390 0.000 -1.304) 1.906 9.058 ( -7.289 0.000 -2.055) 7.574 9.068 ( -2.403 0.000 4.697) 5.276 9.179 ( -5.454 0.000 -1.792) 5.741 9.354 ( -4.985 0.000 5.460) 7.393 9.454 ( -8.769 0.000 1.753) 8.942 9.543 ( -2.748 0.000 -0.215) 2.756 9.714 ( -1.658 0.000 -9.275) 9.422 9.965 ( 0.994 0.000 -1.116) 1.494 10.349 ( -4.200 0.000 -6.275) 7.551 10.637 ( -1.206 0.000 -3.897) 4.079 10.640 ( 5.002 0.000 2.912) 5.788 10.934 ( 2.313 0.000 12.153) 12.372 11.047 ( -8.099 0.000 -9.058) 12.151 11.251 ( -12.857 0.000 13.027) 18.303 11.652 ( -1.400 0.000 3.583) 3.847 11.734 ( -1.808 0.000 -11.008) 11.156 12.118 ( 3.541 0.000 -0.935) 3.662 12.323 ( -4.012 0.000 5.004) 6.414 12.438 ( 0.884 0.000 -11.876) 11.909 12.661 ( 4.816 0.000 -3.451) 5.925 13.094 ( 4.942 0.000 1.360) 5.125 13.228 ( -0.974 0.000 -1.144) 1.502 13.443 ( 4.200 0.000 -4.646) 6.263 13.580 ( -12.602 0.000 -9.038) 15.508 13.954 ( 3.705 0.000 0.330) 3.720 14.005 ( 7.120 0.000 -3.687) 8.018 14.091 ( -23.729 0.000 3.827) 24.035 14.343 ( 2.536 0.000 7.325) 7.752 14.780 ( -16.196 0.000 -4.910) 16.924 15.065 ( 6.891 0.000 -4.465) 8.211 15.234 ( -1.508 0.000 3.047) 3.400 15.308 ( 8.467 0.000 -3.486) 9.157 17.170 ( 8.832 0.000 14.803) 17.238 17.248 ( -0.379 0.000 8.972) 8.980 17.577 ( 1.614 0.000 -4.401) 4.688 17.859 ( 7.506 0.000 -0.644) 7.534 18.802 ( 8.612 0.000 16.031) 18.198 18.928 ( 3.913 0.000 6.810) 7.854 19.339 ( 6.954 0.000 -8.960) 11.341 19.661 ( 12.830 0.000 -0.074) 12.830 21.685 ( 2.827 0.000 -1.185) 3.065 21.774 ( -2.462 0.000 1.652) 2.965 21.979 ( 3.449 0.000 2.366) 4.183 22.009 ( 6.994 0.000 -2.328) 7.371 22.914 ( -14.770 0.000 3.115) 15.095 23.190 ( -7.756 0.000 3.090) 8.349 23.448 ( -13.428 0.000 -4.977) 14.321 23.964 ( -5.990 0.000 -23.034) 23.800 ======================= Grid point 55 (23/72) ======================= q-point: (-0.14 0.00 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.731 ( -13.871 0.000 21.763) 25.808 0.796 ( -23.784 0.000 15.672) 28.483 1.553 ( -44.148 0.000 30.324) 53.559 2.160 ( 1.012 0.000 -15.936) 15.968 2.189 ( -4.023 0.000 -21.154) 21.534 2.452 ( -2.692 0.000 -1.375) 3.022 2.513 ( 8.500 0.000 -2.139) 8.765 2.640 ( 3.505 0.000 -4.388) 5.616 2.797 ( 6.800 0.000 9.562) 11.733 2.870 ( -0.402 0.000 5.528) 5.542 2.909 ( -2.664 0.000 -2.190) 3.448 3.014 ( 4.137 0.000 1.436) 4.379 3.137 ( -8.221 0.000 6.531) 10.499 3.171 ( -3.954 0.000 -1.986) 4.425 3.305 ( 3.533 0.000 4.210) 5.496 3.365 ( 3.631 0.000 0.013) 3.631 3.536 ( 5.534 0.000 -1.965) 5.872 3.546 ( 1.568 0.000 4.320) 4.596 3.677 ( -7.498 0.000 -6.261) 9.768 3.682 ( -4.894 0.000 -0.726) 4.947 3.796 ( -10.429 0.000 -14.582) 17.928 3.830 ( 2.503 0.000 -10.935) 11.218 3.957 ( -4.689 0.000 1.661) 4.974 4.001 ( -7.331 0.000 5.453) 9.137 4.161 ( 4.606 0.000 -8.924) 10.042 4.184 ( -4.128 0.000 1.090) 4.269 4.398 ( -4.737 0.000 6.486) 8.031 4.439 ( 1.211 0.000 2.284) 2.585 4.715 ( 0.230 0.000 0.805) 0.837 4.722 ( 5.752 0.000 -5.064) 7.664 4.825 ( 2.731 0.000 0.058) 2.731 4.982 ( 3.457 0.000 4.529) 5.698 5.198 ( 6.395 0.000 4.191) 7.646 5.457 ( 2.950 0.000 3.776) 4.792 5.471 ( 5.437 0.000 2.996) 6.208 5.653 ( 1.281 0.000 -10.176) 10.256 5.975 ( 3.014 0.000 7.885) 8.442 6.127 ( -0.211 0.000 6.387) 6.391 6.161 ( 8.277 0.000 9.103) 12.304 6.190 ( 2.624 0.000 1.888) 3.233 6.602 ( 3.185 0.000 4.029) 5.136 6.876 ( -3.872 0.000 2.620) 4.676 6.883 ( 4.294 0.000 -0.723) 4.355 7.186 ( -4.314 0.000 -4.003) 5.885 7.320 ( 5.065 0.000 -2.023) 5.454 7.343 ( 0.576 0.000 2.215) 2.288 7.537 ( 14.196 0.000 2.413) 14.399 7.624 ( -3.534 0.000 -4.095) 5.409 7.659 ( 2.423 0.000 1.406) 2.801 7.744 ( 3.209 0.000 -5.494) 6.363 7.879 ( -4.394 0.000 -2.264) 4.943 7.936 ( -4.292 0.000 0.547) 4.327 7.942 ( 0.392 0.000 -0.602) 0.719 7.978 ( -0.882 0.000 -3.588) 3.695 8.181 ( -4.701 0.000 4.260) 6.344 8.325 ( -0.934 0.000 7.997) 8.051 8.462 ( 8.044 0.000 7.652) 11.102 8.619 ( 4.915 0.000 -0.526) 4.943 8.820 ( 0.019 0.000 -3.448) 3.448 8.866 ( -0.563 0.000 8.024) 8.043 8.914 ( -7.227 0.000 -0.367) 7.236 8.974 ( -4.849 0.000 5.365) 7.232 9.173 ( 5.510 0.000 -3.919) 6.761 9.245 ( -6.251 0.000 5.839) 8.554 9.306 ( -6.358 0.000 -1.661) 6.572 9.475 ( -3.595 0.000 -1.361) 3.844 9.684 ( 0.226 0.000 -11.271) 11.273 9.952 ( -2.254 0.000 -3.216) 3.928 10.243 ( -6.893 0.000 -15.324) 16.803 10.565 ( -7.147 0.000 -3.903) 8.143 10.733 ( 4.101 0.000 6.814) 7.953 10.891 ( -2.753 0.000 6.430) 6.994 11.030 ( 2.524 0.000 -1.498) 2.935 11.097 ( -3.693 0.000 20.013) 20.351 11.622 ( -1.698 0.000 4.199) 4.529 11.719 ( 0.301 0.000 -11.881) 11.885 12.131 ( -0.616 0.000 5.172) 5.208 12.241 ( -21.485 0.000 -27.607) 34.982 12.248 ( -4.220 0.000 -4.343) 6.056 12.737 ( 2.315 0.000 -2.758) 3.600 13.167 ( -0.410 0.000 -1.789) 1.836 13.260 ( 3.803 0.000 -5.110) 6.370 13.407 ( 0.053 0.000 4.236) 4.236 13.561 ( 9.229 0.000 -3.940) 10.035 13.590 ( -20.610 0.000 5.604) 21.358 14.075 ( -3.261 0.000 -5.873) 6.718 14.179 ( 11.171 0.000 -0.086) 11.171 14.404 ( 1.141 0.000 3.997) 4.156 14.524 ( -5.128 0.000 2.493) 5.702 15.091 ( -3.576 0.000 -1.689) 3.955 15.151 ( -6.438 0.000 5.756) 8.636 15.463 ( 8.023 0.000 -7.031) 10.668 17.227 ( -0.924 0.000 8.368) 8.419 17.422 ( 15.505 0.000 15.446) 21.886 17.613 ( 1.858 0.000 -4.177) 4.572 17.988 ( 5.260 0.000 -1.456) 5.458 18.966 ( 2.722 0.000 5.465) 6.106 19.231 ( 40.490 0.000 37.369) 55.099 19.483 ( 7.115 0.000 -11.274) 13.332 19.913 ( 11.761 0.000 5.766) 13.099 21.726 ( -2.815 0.000 1.585) 3.231 21.752 ( 3.416 0.000 -3.028) 4.565 22.021 ( -0.002 0.000 2.582) 2.582 22.134 ( 5.645 0.000 -1.619) 5.872 22.623 ( -13.412 0.000 0.197) 13.413 23.041 ( -6.855 0.000 1.886) 7.110 23.212 ( -9.841 0.000 -3.620) 10.485 23.579 ( -40.621 0.000 -41.503) 58.073 ======================= Grid point 56 (24/72) ======================= q-point: ( 0.00 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.919 ( -2.940 21.055 21.600) 30.306 0.934 ( -2.534 23.681 19.921) 31.049 1.368 ( 4.523 32.989 30.062) 44.860 2.168 ( -1.549 4.350 -19.931) 20.459 2.282 ( 4.948 6.344 -14.028) 16.171 2.426 ( -1.520 0.332 0.659) 1.690 2.651 ( -3.530 2.759 -6.589) 7.968 2.682 ( 3.195 -1.986 2.172) 4.344 2.792 ( 3.583 -2.580 6.513) 7.869 2.884 ( -1.332 -0.247 0.439) 1.424 2.934 ( 4.080 0.414 3.416) 5.338 2.993 ( -5.262 0.466 5.862) 7.891 3.029 ( -0.669 -1.149 -2.142) 2.521 3.126 ( -0.014 -0.157 -1.700) 1.707 3.321 ( -0.409 -6.934 -1.741) 7.161 3.364 ( -6.560 -1.620 4.436) 8.083 3.419 ( 5.800 -4.286 -1.509) 7.368 3.530 ( -5.394 -3.639 -2.245) 6.883 3.578 ( 0.638 -2.430 -3.332) 4.173 3.653 ( 4.139 -3.292 -7.311) 9.023 3.679 ( -3.259 -1.986 -8.549) 9.362 3.699 ( -5.590 -0.721 -0.063) 5.637 3.901 ( 1.035 -1.696 1.719) 2.627 4.033 ( 4.784 -5.389 -3.731) 8.114 4.071 ( 3.063 -0.093 2.725) 4.101 4.153 ( 0.972 -3.775 -7.025) 8.034 4.377 ( -1.882 1.718 1.929) 3.196 4.561 ( -0.573 9.009 7.672) 11.847 4.736 ( -3.003 3.642 0.676) 4.768 4.807 ( 0.870 -0.964 -1.357) 1.879 4.859 ( 6.178 -3.738 -0.165) 7.223 5.110 ( -0.271 6.569 3.272) 7.344 5.143 ( -2.172 -4.144 2.495) 5.302 5.418 ( -4.775 -3.748 2.325) 6.500 5.464 ( -0.556 -1.781 3.462) 3.932 5.705 ( 3.160 0.708 -5.230) 6.152 5.853 ( -0.442 -5.002 3.269) 5.992 6.033 ( 1.548 -9.293 3.322) 9.989 6.203 ( -1.979 -0.019 2.058) 2.856 6.413 ( 0.343 1.412 -0.223) 1.470 6.733 ( 2.165 -0.690 -0.209) 2.282 6.868 ( -2.654 7.998 1.184) 8.510 6.939 ( -3.432 2.175 -5.995) 7.242 7.169 ( 2.935 -2.230 3.150) 4.848 7.336 ( 1.160 1.363 4.647) 4.980 7.504 ( 3.985 7.123 -2.399) 8.507 7.556 ( -0.643 -0.926 -0.333) 1.176 7.659 ( -5.829 -2.322 -1.908) 6.558 7.694 ( 3.478 -5.592 1.905) 6.855 7.759 ( -0.325 -0.672 -3.996) 4.065 7.805 ( 0.389 1.784 -0.260) 1.844 7.932 ( -1.121 0.524 -0.228) 1.258 7.966 ( 2.367 1.475 -5.430) 6.104 8.066 ( -0.291 3.275 -4.849) 5.859 8.124 ( -5.811 0.872 5.207) 7.851 8.284 ( -0.860 1.941 3.983) 4.513 8.526 ( -1.468 -0.825 4.554) 4.855 8.612 ( 2.488 -2.977 -5.022) 6.346 8.693 ( 0.341 -7.880 3.345) 8.567 8.827 ( -5.768 -0.931 3.441) 6.781 8.891 ( -0.798 -0.756 4.928) 5.049 8.977 ( -0.791 -3.232 -5.862) 6.740 9.046 ( 3.975 3.176 -2.078) 5.496 9.143 ( 2.456 -5.735 3.440) 7.124 9.358 ( 3.111 -2.195 4.390) 5.811 9.444 ( 0.442 10.592 8.222) 13.416 9.814 ( 4.393 5.841 -0.595) 7.333 9.985 ( -5.926 -0.265 -17.584) 18.558 10.279 ( -0.688 13.530 -11.476) 17.755 10.364 ( -3.874 1.966 -6.480) 7.801 10.765 ( -0.788 -1.737 9.203) 9.399 10.956 ( -1.351 5.641 0.736) 5.847 11.057 ( 4.263 -2.378 21.199) 21.754 11.131 ( -0.538 8.246 4.319) 9.324 11.558 ( 0.751 -3.061 -0.123) 3.154 11.704 ( -0.898 -2.115 -10.603) 10.849 12.049 ( -3.303 -2.135 -2.465) 4.641 12.180 ( 2.772 -3.986 -3.930) 6.246 12.347 ( 8.486 17.715 -21.506) 29.126 12.801 ( 1.374 1.657 -3.363) 3.993 13.037 ( -2.077 -6.977 2.081) 7.571 13.277 ( 0.279 -5.241 3.510) 6.314 13.461 ( 1.461 9.095 2.384) 9.515 13.542 ( 3.398 4.112 -3.055) 6.147 13.728 ( 4.724 -9.312 -2.545) 10.747 13.862 ( -7.214 2.144 -9.097) 11.807 14.151 ( 1.819 -4.915 8.653) 10.116 14.557 ( 0.369 -2.837 10.686) 11.062 14.585 ( -2.380 10.550 -4.638) 11.768 14.937 ( -1.651 -6.107 -1.164) 6.432 15.117 ( -0.360 3.220 -0.922) 3.369 15.405 ( 1.427 -12.079 -2.658) 12.450 17.193 ( -1.306 -0.840 7.003) 7.173 17.425 ( 0.839 -11.206 12.010) 16.448 17.753 ( 1.369 4.557 0.924) 4.847 17.997 ( -0.588 -3.071 -2.124) 3.780 19.006 ( -0.866 1.841 4.220) 4.685 19.260 ( 2.424 -32.930 35.670) 48.606 19.529 ( 1.704 -4.131 -10.232) 11.165 19.872 ( -1.954 -12.943 4.792) 13.940 21.753 ( 1.806 1.963 1.048) 2.866 21.953 ( -4.276 0.260 -0.357) 4.298 22.206 ( -8.350 6.295 -3.635) 11.071 22.276 ( 15.900 5.501 -1.509) 16.892 22.534 ( -1.764 1.778 1.623) 2.984 22.955 ( 7.815 7.291 -15.251) 18.623 23.023 ( -9.143 5.195 -1.694) 10.651 23.195 ( -2.479 16.461 -14.810) 22.282 ======================= Grid point 57 (25/72) ======================= q-point: ( 0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.896 ( 10.740 17.487 14.928) 25.377 1.102 ( 16.123 17.893 17.191) 29.591 1.866 ( 35.692 24.003 23.605) 49.063 2.153 ( 0.662 4.389 -16.968) 17.539 2.351 ( 0.177 3.170 -11.305) 11.742 2.428 ( 1.797 1.000 -0.220) 2.068 2.530 ( -5.832 4.375 -5.307) 9.017 2.707 ( -5.219 -1.894 2.235) 5.985 2.776 ( -0.022 -1.410 2.931) 3.252 2.831 ( -6.084 -0.545 -0.575) 6.135 2.978 ( 0.182 2.904 -3.845) 4.822 3.023 ( 2.618 -3.261 9.088) 10.004 3.063 ( 7.705 -0.085 -1.309) 7.816 3.171 ( 4.961 -0.554 -1.591) 5.240 3.207 ( -4.088 -5.087 1.107) 6.620 3.306 ( -2.596 -4.356 1.195) 5.210 3.413 ( -4.566 -2.561 -0.654) 5.276 3.513 ( -0.743 1.817 2.708) 3.344 3.553 ( -2.821 -2.080 -4.645) 5.819 3.651 ( 0.675 -3.634 -2.674) 4.562 3.675 ( 8.431 -0.499 -8.358) 11.882 3.780 ( 4.960 -4.515 -6.633) 9.433 3.938 ( 0.335 -4.338 1.146) 4.499 4.098 ( 2.968 -0.356 1.445) 3.320 4.175 ( 6.124 -6.789 -2.875) 9.585 4.246 ( 8.619 -0.597 -3.039) 9.159 4.348 ( -0.262 0.428 -0.115) 0.515 4.556 ( -0.018 9.038 7.052) 11.464 4.646 ( -5.049 -0.283 1.861) 5.389 4.803 ( -1.150 0.568 -1.172) 1.737 4.935 ( 1.664 -2.862 3.526) 4.836 5.041 ( -6.881 1.715 3.915) 8.100 5.089 ( -2.217 6.028 3.611) 7.368 5.299 ( -6.757 -2.713 -2.447) 7.682 5.402 ( -7.134 -1.382 0.657) 7.296 5.746 ( 1.110 0.213 -3.700) 3.868 5.842 ( -0.707 -5.873 3.358) 6.802 6.049 ( -0.213 -9.271 3.803) 10.023 6.146 ( -3.704 1.897 1.106) 4.306 6.368 ( -3.893 2.142 2.777) 5.240 6.725 ( -2.806 1.853 -2.509) 4.195 6.844 ( -1.385 9.162 -1.552) 9.395 6.882 ( 1.694 2.784 0.695) 3.332 7.194 ( -1.190 0.449 6.366) 6.491 7.281 ( -4.297 0.197 -0.433) 4.323 7.463 ( -5.848 2.897 -0.476) 6.544 7.533 ( -1.515 10.079 -1.196) 10.262 7.614 ( -0.533 -1.861 0.688) 2.054 7.708 ( 1.721 -5.839 -0.496) 6.107 7.774 ( -2.777 -3.561 -1.788) 4.857 7.873 ( -0.291 0.154 -0.424) 0.537 7.889 ( 3.383 -1.354 0.621) 3.697 7.932 ( -3.386 0.737 -1.096) 3.634 8.077 ( 5.348 0.152 -3.376) 6.326 8.151 ( 5.539 -0.194 0.187) 5.546 8.234 ( -3.378 0.007 3.374) 4.775 8.467 ( -5.322 5.499 3.767) 8.530 8.569 ( -4.805 -2.296 -1.307) 5.484 8.739 ( 2.456 -6.294 0.583) 6.781 8.779 ( -0.951 1.736 3.000) 3.594 8.917 ( 3.400 -3.495 2.968) 5.709 8.975 ( 0.920 -6.495 -2.467) 7.008 9.112 ( 4.437 4.696 1.108) 6.555 9.183 ( 1.861 -11.787 -0.121) 11.934 9.413 ( 3.156 2.678 8.604) 9.548 9.525 ( 3.632 9.154 5.582) 11.320 9.850 ( -3.230 -1.103 -4.102) 5.336 9.957 ( 5.202 1.614 -14.233) 15.240 10.279 ( -1.510 4.529 -4.724) 6.717 10.388 ( 7.921 8.216 -14.446) 18.411 10.746 ( -1.684 -1.144 7.297) 7.576 10.948 ( 0.353 1.970 5.691) 6.033 11.108 ( 0.194 9.330 6.743) 11.513 11.207 ( 8.586 1.814 14.238) 16.725 11.570 ( 1.267 -0.263 2.759) 3.047 11.710 ( 1.449 -2.013 -8.887) 9.226 11.956 ( -5.426 -1.770 -7.557) 9.470 12.261 ( 5.616 -4.339 -6.422) 9.571 12.589 ( 8.936 6.826 -15.363) 19.039 12.783 ( -2.722 0.109 -4.069) 4.897 13.009 ( -4.484 -10.103 5.833) 12.498 13.240 ( 3.704 -7.455 -0.062) 8.325 13.541 ( -9.904 -2.642 -0.133) 10.251 13.561 ( 5.942 4.507 -4.827) 8.884 13.713 ( 12.654 4.026 2.334) 13.482 14.027 ( 3.750 -5.628 -0.583) 6.788 14.150 ( 4.305 2.057 2.197) 5.253 14.473 ( -4.908 9.146 -8.390) 13.347 14.534 ( -3.870 0.944 6.093) 7.280 14.966 ( 1.784 -5.354 -3.144) 6.460 15.131 ( 2.094 -1.056 0.219) 2.355 15.392 ( -1.799 -9.455 0.711) 9.651 17.156 ( -2.949 -0.729 6.958) 7.593 17.369 ( -5.390 -8.023 14.448) 17.383 17.735 ( -2.313 5.385 -0.259) 5.866 17.931 ( -5.935 -2.033 -2.670) 6.818 18.945 ( -6.081 1.194 5.273) 8.137 19.102 ( -11.573 -12.889 26.995) 32.075 19.502 ( -3.802 -3.494 -9.233) 10.579 19.730 ( -11.480 -9.789 1.915) 15.208 21.651 ( -6.046 1.027 0.257) 6.138 21.901 ( -1.625 -1.197 -0.385) 2.055 22.095 ( -6.046 8.327 1.950) 10.474 22.251 ( -10.985 8.585 -1.507) 14.023 22.678 ( 17.823 -1.730 2.638) 18.100 22.985 ( 4.080 -1.921 0.249) 4.516 23.251 ( 11.961 2.240 -2.531) 12.430 23.533 ( 27.273 4.357 -29.635) 40.509 ======================= Grid point 58 (26/72) ======================= q-point: ( 0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.273 ( 24.540 6.057 4.866) 25.740 1.479 ( 21.433 11.611 11.815) 27.089 2.177 ( 0.760 4.207 -10.193) 11.054 2.295 ( -3.600 -0.376 -8.985) 9.687 2.370 ( -7.994 4.044 -2.060) 9.193 2.454 ( 2.326 3.924 -0.054) 4.562 2.497 ( -1.432 2.636 -3.443) 4.566 2.607 ( 9.700 4.793 3.274) 11.304 2.685 ( -0.054 4.162 4.403) 6.059 2.834 ( 5.769 0.230 3.008) 6.510 2.981 ( 1.266 0.420 -4.129) 4.339 3.104 ( 2.873 -1.012 6.496) 7.175 3.135 ( -0.122 -6.598 2.402) 7.022 3.216 ( 4.636 -1.524 2.007) 5.277 3.275 ( 3.093 0.269 3.111) 4.395 3.313 ( 6.146 -2.516 -1.356) 6.778 3.380 ( 1.212 -0.705 -0.729) 1.580 3.483 ( -1.016 -2.189 -7.052) 7.453 3.536 ( 0.859 2.988 0.257) 3.120 3.662 ( 0.177 -1.444 0.868) 1.694 3.849 ( 4.995 -5.500 -4.916) 8.909 3.854 ( 2.823 -4.196 -2.791) 5.776 3.939 ( 4.660 -3.036 -2.843) 6.246 4.109 ( -2.658 3.891 0.345) 4.725 4.260 ( 2.021 -3.060 4.340) 5.682 4.392 ( 6.093 -2.992 -4.188) 7.976 4.435 ( 7.190 -3.952 -1.440) 8.330 4.555 ( -0.594 3.141 1.350) 3.470 4.587 ( -0.482 0.013 4.454) 4.480 4.757 ( -3.752 -0.517 1.556) 4.094 4.900 ( -7.428 2.887 2.101) 8.242 4.929 ( -2.171 -1.047 7.147) 7.542 5.043 ( -2.430 4.169 4.448) 6.563 5.149 ( -13.586 0.548 -2.636) 13.850 5.250 ( -1.564 2.437 -5.625) 6.326 5.736 ( -2.279 1.048 -4.625) 5.261 5.837 ( 0.391 -6.263 3.908) 7.392 6.021 ( -2.443 -5.361 1.915) 6.195 6.095 ( -0.987 1.815 3.022) 3.661 6.305 ( -2.717 4.335 2.713) 5.791 6.696 ( -0.200 5.402 0.822) 5.468 6.825 ( 1.017 6.509 -5.085) 8.322 6.952 ( 3.194 0.897 3.642) 4.927 7.155 ( -2.636 3.796 6.057) 7.619 7.218 ( -2.286 -0.800 -3.319) 4.109 7.375 ( -3.672 1.487 -2.187) 4.526 7.500 ( -2.712 0.767 -1.376) 3.137 7.546 ( -4.549 2.121 3.127) 5.914 7.662 ( -3.985 -2.520 -9.154) 10.296 7.767 ( -2.441 -1.532 -5.002) 5.773 7.785 ( -3.420 -5.651 2.518) 7.069 7.933 ( 2.631 -2.219 0.386) 3.464 7.998 ( 5.662 -2.546 4.247) 7.522 8.190 ( -0.728 -1.962 2.656) 3.381 8.210 ( 3.218 1.718 -4.763) 5.999 8.246 ( 5.646 -0.489 -1.089) 5.770 8.362 ( -3.798 8.446 4.329) 10.222 8.495 ( -2.479 -2.090 3.262) 4.599 8.744 ( -1.833 -0.444 1.498) 2.408 8.749 ( -2.290 -0.191 0.125) 2.302 8.946 ( 0.444 -8.698 1.698) 8.873 9.056 ( 6.174 -10.917 2.958) 12.886 9.184 ( 0.271 -9.363 1.935) 9.565 9.260 ( 7.447 2.805 -3.401) 8.654 9.463 ( 0.896 -2.633 8.992) 9.412 9.565 ( 1.763 10.467 3.074) 11.051 9.803 ( -1.646 -1.430 -2.287) 3.159 10.036 ( 2.786 3.298 -12.737) 13.449 10.242 ( -0.633 1.005 -1.383) 1.823 10.611 ( 13.424 10.949 -12.437) 21.325 10.705 ( -2.129 -0.427 4.727) 5.202 10.969 ( 1.528 2.099 6.476) 6.977 11.124 ( 1.381 8.369 4.674) 9.685 11.398 ( 10.930 0.241 12.696) 16.754 11.644 ( 6.256 0.375 3.327) 7.095 11.729 ( -2.179 -4.457 -3.775) 6.233 11.845 ( -3.747 2.618 -12.988) 13.768 12.332 ( 0.231 -4.595 -6.453) 7.925 12.564 ( -9.485 -3.556 5.932) 11.739 12.754 ( 0.610 5.177 -7.099) 8.807 12.911 ( -2.099 -5.938 2.639) 6.829 13.376 ( -5.136 2.311 -1.839) 5.925 13.463 ( 13.102 -9.956 -2.360) 16.624 13.632 ( 1.245 -2.216 -6.803) 7.262 13.868 ( -4.336 -1.077 5.942) 7.434 14.078 ( 11.741 -2.098 6.317) 13.497 14.151 ( -5.997 5.784 -5.382) 9.919 14.445 ( -0.414 5.200 3.868) 6.494 14.625 ( 15.876 3.098 -10.002) 19.018 14.904 ( -6.899 -4.611 -6.181) 10.347 15.187 ( 0.648 -7.347 0.216) 7.379 15.349 ( -2.741 -4.212 1.511) 5.247 17.088 ( -3.653 -0.085 8.271) 9.042 17.285 ( -3.203 -4.053 13.548) 14.499 17.693 ( -1.758 4.912 -1.670) 5.478 17.795 ( -7.333 0.069 -3.221) 8.009 18.814 ( -5.790 1.572 7.565) 9.655 18.957 ( -5.540 -1.722 12.553) 13.829 19.406 ( -5.370 -2.800 -6.086) 8.585 19.503 ( -10.660 -4.627 -3.194) 12.052 21.596 ( -0.281 -3.248 0.237) 3.269 21.856 ( -3.808 -3.131 -0.133) 4.932 21.948 ( -6.339 8.528 0.795) 10.656 22.105 ( -6.436 2.991 -0.244) 7.101 22.984 ( 13.303 -0.385 5.419) 14.370 23.116 ( 8.085 -3.075 2.045) 8.889 23.497 ( 13.252 3.094 -4.120) 14.218 23.869 ( 9.051 -2.327 -20.088) 22.156 ======================= Grid point 59 (27/72) ======================= q-point: ( 0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 23.492 1.939 1.043) 23.595 1.883 ( 19.405 7.355 6.904) 21.871 2.006 ( -18.056 0.808 -4.796) 18.700 2.184 ( -11.911 6.136 -1.026) 13.438 2.280 ( 0.609 0.871 -4.883) 4.997 2.363 ( 0.620 0.128 -6.609) 6.639 2.462 ( -3.001 2.622 -0.901) 4.085 2.493 ( -6.634 4.398 -6.898) 10.532 2.860 ( 3.440 -2.110 -2.159) 4.577 2.927 ( 0.222 -3.225 0.059) 3.233 3.072 ( -2.944 -5.154 1.867) 6.223 3.125 ( 3.723 1.009 2.668) 4.690 3.250 ( 10.573 0.581 0.742) 10.615 3.278 ( 1.841 -2.678 0.144) 3.253 3.348 ( 1.533 -1.560 4.797) 5.272 3.396 ( 1.166 -4.423 -2.678) 5.300 3.447 ( 2.512 3.831 3.109) 5.536 3.521 ( 7.221 -2.819 -1.656) 7.927 3.587 ( 4.922 1.444 -4.024) 6.520 3.695 ( 5.460 4.514 6.166) 9.392 3.813 ( -2.424 -5.589 -2.552) 6.605 3.932 ( 2.197 -2.767 -2.143) 4.132 4.003 ( -8.578 0.691 2.262) 8.898 4.101 ( 7.431 -1.148 1.307) 7.632 4.267 ( 0.944 -1.108 2.809) 3.164 4.425 ( -8.076 -4.631 5.342) 10.734 4.482 ( 0.240 0.678 -3.171) 3.252 4.566 ( 2.063 0.922 2.924) 3.695 4.592 ( 1.138 -0.294 0.279) 1.208 4.715 ( -2.193 4.169 0.606) 4.749 4.741 ( -6.986 -2.020 0.353) 7.281 4.897 ( -2.898 3.017 -0.563) 4.221 4.949 ( 0.071 -1.218 2.889) 3.136 5.003 ( -1.909 0.439 6.000) 6.312 5.292 ( 3.741 4.671 -8.628) 10.500 5.676 ( -2.916 1.315 -5.928) 6.736 5.848 ( 0.139 -5.493 4.264) 6.955 5.982 ( -1.405 -3.344 1.176) 3.813 6.099 ( 0.992 1.952 2.720) 3.492 6.262 ( -1.583 5.338 2.006) 5.918 6.700 ( 0.202 7.073 2.868) 7.635 6.887 ( 5.028 4.762 -4.319) 8.162 6.971 ( -1.439 2.613 3.770) 4.808 7.076 ( -5.906 -0.008 -0.968) 5.984 7.204 ( 1.606 2.773 -1.345) 3.476 7.326 ( -0.943 1.198 -5.088) 5.312 7.414 ( -4.948 -1.943 4.389) 6.894 7.517 ( 1.549 -2.220 -2.985) 4.029 7.634 ( 0.676 -1.993 -8.447) 8.705 7.700 ( -1.951 -4.801 -1.861) 5.506 7.731 ( -3.272 -3.013 0.473) 4.473 7.944 ( -2.187 0.785 -1.910) 3.008 8.079 ( 1.538 -3.049 2.041) 3.978 8.185 ( 0.422 2.219 -0.153) 2.264 8.215 ( 0.763 -0.421 3.496) 3.603 8.328 ( 0.003 5.007 2.175) 5.459 8.395 ( 7.871 1.559 -1.265) 8.123 8.472 ( -0.886 -2.112 3.591) 4.259 8.663 ( -5.502 0.469 3.895) 6.757 8.726 ( -0.415 -1.587 -1.776) 2.417 8.963 ( 1.311 -12.387 2.332) 12.673 9.148 ( -2.203 -11.816 4.052) 12.684 9.169 ( 3.368 -11.199 1.260) 11.762 9.371 ( 1.374 -2.752 -0.216) 3.083 9.433 ( -1.511 0.042 3.412) 3.731 9.645 ( 6.000 8.708 2.002) 10.763 9.768 ( -2.570 1.478 0.945) 3.112 10.024 ( -2.561 3.791 -9.312) 10.375 10.318 ( 7.654 3.365 3.435) 9.039 10.639 ( -3.096 1.958 1.394) 3.920 10.856 ( 8.811 12.217 -5.381) 15.996 10.995 ( 0.841 11.348 2.758) 11.708 11.185 ( 5.734 -5.548 2.151) 8.263 11.472 ( -14.189 -8.585 -6.944) 17.979 11.685 ( 12.951 -3.293 1.579) 13.456 11.738 ( -0.717 -1.663 -2.465) 3.059 11.902 ( 6.507 5.598 3.218) 9.168 12.227 ( -9.129 1.102 -1.408) 9.302 12.406 ( -5.287 -7.525 9.204) 13.011 12.756 ( -1.431 6.977 -6.581) 9.697 12.931 ( 3.622 -3.251 -0.016) 4.867 13.339 ( 0.788 4.952 -3.341) 6.025 13.543 ( -1.091 1.036 -0.690) 1.655 13.691 ( -7.571 -1.363 4.794) 9.064 13.775 ( 4.816 -9.254 -1.847) 10.594 14.040 ( -3.031 2.855 -8.656) 9.605 14.238 ( 4.318 -4.484 3.418) 7.101 14.594 ( 7.187 -3.436 -2.428) 8.328 14.760 ( 4.685 -1.780 0.684) 5.058 14.925 ( 3.299 -0.343 -3.762) 5.016 15.084 ( -5.694 -4.704 -3.756) 8.286 15.298 ( -3.363 -0.607 -2.073) 3.997 17.043 ( -1.034 0.880 9.603) 9.698 17.247 ( -1.386 -2.769 11.361) 11.775 17.672 ( -3.326 1.592 -2.586) 4.504 17.684 ( -0.323 3.915 -2.552) 4.685 18.746 ( -1.785 1.982 5.382) 6.007 18.878 ( -2.547 0.047 8.972) 9.326 19.299 ( -5.309 -2.133 -4.274) 7.141 19.382 ( -1.116 -1.690 -5.746) 6.092 21.621 ( 2.126 -3.598 0.783) 4.252 21.753 ( -4.584 -2.880 -1.037) 5.512 21.911 ( 1.376 3.404 0.260) 3.681 21.988 ( -5.330 2.337 0.398) 5.834 23.157 ( 3.907 -0.124 5.059) 6.393 23.243 ( 4.151 -3.200 3.796) 6.471 23.715 ( 7.933 2.051 -6.530) 10.478 23.932 ( -0.040 -0.671 -11.957) 11.976 ======================= Grid point 60 (28/72) ======================= q-point: (-0.43 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.593 ( -22.763 2.344 -1.981) 22.969 1.870 ( -19.625 9.213 4.869) 22.220 2.109 ( 11.390 2.894 -0.674) 11.771 2.232 ( 16.239 0.546 -0.351) 16.251 2.310 ( 0.420 0.812 -5.182) 5.262 2.372 ( -0.255 2.178 -3.760) 4.353 2.424 ( 3.370 3.096 -4.054) 6.114 2.482 ( 4.502 4.556 -6.923) 9.431 2.869 ( -1.528 -1.401 -1.397) 2.499 2.948 ( 1.814 -2.964 -0.839) 3.575 2.997 ( -5.813 -1.917 2.743) 6.707 3.139 ( -0.429 -2.947 1.013) 3.146 3.258 ( -5.696 -2.480 2.329) 6.635 3.306 ( -10.685 -0.890 7.444) 13.053 3.341 ( -5.912 -1.053 -3.288) 6.846 3.361 ( 1.826 -1.602 -3.900) 4.595 3.413 ( -2.393 -0.507 1.801) 3.037 3.574 ( -4.018 1.270 5.171) 6.670 3.657 ( 1.273 -5.123 -0.293) 5.287 3.737 ( -2.163 1.460 -6.672) 7.164 3.824 ( 2.787 0.106 -3.326) 4.340 3.915 ( 8.007 2.422 4.854) 9.672 3.977 ( -1.218 -6.079 4.566) 7.700 4.184 ( -1.006 -0.898 4.449) 4.649 4.237 ( -2.388 1.724 -0.794) 3.051 4.329 ( -2.329 -5.387 4.335) 7.297 4.393 ( -7.161 2.293 -7.122) 10.356 4.568 ( -2.547 -2.709 3.251) 4.939 4.589 ( -1.707 -0.225 -0.742) 1.875 4.693 ( 0.749 5.005 2.097) 5.478 4.774 ( 11.778 -0.811 0.945) 11.843 4.929 ( -3.000 -0.299 0.108) 3.017 4.951 ( 6.429 4.662 0.652) 7.968 5.043 ( 5.214 -2.487 8.176) 10.011 5.349 ( 2.489 4.294 -6.941) 8.533 5.643 ( -0.564 0.895 -6.401) 6.488 5.842 ( -0.488 -5.159 3.630) 6.327 5.967 ( -0.298 -5.015 1.715) 5.308 6.130 ( 2.138 3.787 1.997) 4.785 6.255 ( 0.748 6.497 2.573) 7.028 6.695 ( -0.720 7.831 2.149) 8.153 6.907 ( -2.836 3.347 0.557) 4.423 6.966 ( -2.298 0.458 -1.228) 2.645 7.013 ( 3.800 2.767 -0.173) 4.704 7.267 ( 0.519 1.168 -1.953) 2.334 7.314 ( 3.350 -0.994 -5.921) 6.876 7.382 ( 2.248 0.543 2.722) 3.572 7.562 ( 0.660 -2.247 -5.433) 5.916 7.607 ( -2.742 -2.048 3.156) 4.655 7.686 ( 3.482 -2.069 -4.842) 6.312 7.754 ( 3.278 -5.181 -4.914) 7.858 7.898 ( -0.548 0.752 -0.693) 1.160 8.070 ( -2.788 -1.481 2.002) 3.738 8.170 ( -4.143 0.506 2.571) 4.902 8.207 ( 0.246 1.228 0.266) 1.280 8.373 ( 2.076 7.654 3.856) 8.818 8.436 ( -2.253 -3.184 0.722) 3.967 8.523 ( 2.426 0.329 0.518) 2.502 8.596 ( 2.890 -0.519 4.312) 5.216 8.738 ( 1.665 -2.998 -0.957) 3.561 8.991 ( 1.119 -9.976 2.299) 10.299 9.071 ( -4.470 -11.511 2.026) 12.513 9.207 ( -0.707 -12.257 2.015) 12.442 9.286 ( -6.331 -7.042 1.935) 9.665 9.461 ( 1.032 4.450 -0.713) 4.624 9.665 ( -6.287 0.366 3.629) 7.269 9.766 ( 3.517 9.802 1.395) 10.507 10.015 ( 2.781 2.213 -7.821) 8.591 10.447 ( 2.890 6.239 5.540) 8.830 10.598 ( 0.281 1.438 -0.059) 1.467 10.904 ( -3.189 16.434 -0.179) 16.741 11.027 ( 1.347 10.505 -5.347) 11.865 11.142 ( -11.773 -5.116 1.267) 12.899 11.355 ( 6.392 -14.643 -4.791) 16.680 11.575 ( -13.910 -1.458 4.764) 14.776 11.938 ( 2.101 7.826 -8.747) 11.924 11.974 ( 6.463 -2.519 2.706) 7.446 12.172 ( 5.982 -5.740 4.898) 9.629 12.333 ( -3.195 -5.083 7.440) 9.560 12.715 ( -1.630 6.230 -8.098) 10.346 13.008 ( 3.606 -1.253 1.193) 3.999 13.340 ( -1.915 -0.177 -4.849) 5.217 13.476 ( -9.090 4.378 -0.176) 10.091 13.615 ( 6.006 3.917 1.466) 7.319 13.813 ( -1.349 -10.920 0.916) 11.041 14.013 ( -0.652 0.780 -7.445) 7.514 14.307 ( 3.384 -0.023 3.062) 4.564 14.571 ( -13.770 0.421 -1.648) 13.874 14.749 ( 0.075 -11.884 -2.732) 12.194 14.998 ( 6.148 -2.589 2.064) 6.982 15.066 ( -1.769 -2.781 -5.412) 6.337 15.277 ( 2.809 2.696 -3.855) 5.479 17.057 ( 2.344 0.495 11.231) 11.484 17.230 ( -0.706 -2.250 9.588) 9.873 17.627 ( -0.366 4.167 -3.756) 5.622 17.735 ( 4.521 0.904 -1.175) 4.758 18.738 ( 0.885 1.789 7.266) 7.535 18.876 ( 1.984 0.676 6.936) 7.246 19.247 ( 0.589 -1.319 -6.343) 6.506 19.434 ( 6.218 -2.584 -3.620) 7.645 21.611 ( -2.534 -2.977 0.462) 3.937 21.771 ( 5.684 -4.406 -0.613) 7.218 21.918 ( -1.611 3.679 0.422) 4.038 21.977 ( 5.195 3.089 0.199) 6.047 23.128 ( -6.775 -0.020 4.260) 8.003 23.254 ( -3.270 -3.503 3.883) 6.167 23.707 ( -8.013 2.399 -6.739) 10.741 23.957 ( 2.388 -0.993 -11.047) 11.346 ======================= Grid point 61 (29/72) ======================= q-point: (-0.29 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.171 ( -20.095 7.914 5.605) 22.312 1.466 ( -21.783 13.145 9.466) 27.146 2.192 ( 0.740 2.707 -9.943) 10.332 2.290 ( -4.114 1.757 -9.699) 10.681 2.377 ( 5.955 1.894 -4.225) 7.544 2.462 ( -7.682 6.755 -1.481) 10.336 2.521 ( 8.273 1.344 0.226) 8.385 2.639 ( 5.983 3.174 -1.821) 7.013 2.655 ( -21.017 8.904 10.885) 25.288 2.839 ( -0.931 -2.368 1.286) 2.851 2.976 ( 0.859 0.674 -1.454) 1.818 2.998 ( -5.689 1.134 6.216) 8.502 3.151 ( 0.821 -6.057 0.536) 6.136 3.187 ( -2.978 -4.832 1.488) 5.868 3.278 ( -2.102 -3.702 -2.880) 5.140 3.331 ( -5.944 1.041 4.384) 7.459 3.419 ( 3.944 -2.950 -2.579) 5.560 3.535 ( -0.546 0.729 2.065) 2.257 3.648 ( -2.713 -8.873 -0.577) 9.297 3.742 ( 1.411 1.517 -8.465) 8.714 3.862 ( -7.051 -1.023 3.075) 7.760 3.907 ( 2.521 -3.931 -0.956) 4.767 4.036 ( 2.035 -4.787 2.262) 5.671 4.066 ( -9.276 -3.565 -4.992) 11.121 4.153 ( -8.509 2.697 3.799) 9.701 4.227 ( -5.329 1.175 -8.470) 10.075 4.365 ( 3.328 0.316 0.702) 3.416 4.565 ( 1.695 -0.672 4.197) 4.576 4.592 ( 2.584 -2.818 -1.199) 4.007 4.714 ( 0.935 3.854 3.305) 5.163 4.813 ( -3.654 -0.720 -0.290) 3.735 5.015 ( 6.185 4.787 3.728) 8.664 5.067 ( 4.175 1.272 -0.718) 4.423 5.216 ( 13.102 -1.796 7.447) 15.177 5.406 ( 3.690 1.905 -0.823) 4.234 5.636 ( -0.142 -0.464 -7.277) 7.293 5.843 ( 0.468 -4.534 2.781) 5.339 5.972 ( 0.848 -6.710 2.227) 7.120 6.180 ( 2.811 3.361 2.513) 5.051 6.284 ( 2.245 7.604 3.130) 8.524 6.688 ( 0.269 8.836 0.149) 8.842 6.863 ( -1.438 2.212 1.304) 2.943 6.949 ( 0.413 -0.552 -1.848) 1.972 7.078 ( 3.170 0.229 5.419) 6.283 7.234 ( -2.041 -1.600 -5.467) 6.051 7.424 ( 7.529 3.112 -3.638) 8.923 7.467 ( -1.037 1.080 -1.124) 1.872 7.532 ( 6.184 1.065 2.366) 6.706 7.658 ( 4.358 0.088 -2.042) 4.814 7.743 ( 1.078 -0.987 -5.066) 5.272 7.807 ( 1.353 -4.468 -3.613) 5.903 7.927 ( 0.383 -2.646 0.534) 2.727 7.981 ( -3.358 -1.246 4.977) 6.132 8.085 ( -3.980 2.403 -0.242) 4.655 8.192 ( -1.566 1.125 0.854) 2.109 8.331 ( -3.234 0.450 0.112) 3.267 8.446 ( 1.533 -1.707 0.393) 2.327 8.545 ( 1.830 4.366 7.318) 8.716 8.743 ( 9.086 -2.236 3.162) 9.877 8.771 ( 0.957 -4.150 1.077) 4.393 8.951 ( -4.187 -8.118 0.049) 9.135 9.042 ( 0.124 -4.926 2.836) 5.686 9.136 ( -5.852 -13.092 -4.141) 14.926 9.183 ( -4.376 1.300 1.737) 4.884 9.413 ( -6.413 -1.807 0.990) 6.736 9.559 ( -2.975 2.101 2.642) 4.499 9.802 ( 0.330 7.963 1.912) 8.196 10.081 ( 2.034 5.034 -6.508) 8.476 10.414 ( -3.505 4.769 -7.577) 9.615 10.609 ( -3.681 1.638 -1.028) 4.158 10.808 ( -2.401 8.981 -1.606) 9.434 10.955 ( -3.340 -3.954 2.410) 5.709 11.108 ( 1.585 12.651 8.207) 15.163 11.275 ( -12.997 1.075 4.127) 13.679 11.481 ( 3.831 -9.164 4.574) 10.935 11.834 ( -6.575 3.978 -3.679) 8.520 12.103 ( 3.623 -1.520 -6.178) 7.322 12.255 ( -5.515 -4.709 -0.029) 7.252 12.350 ( 8.075 -7.378 -3.863) 11.600 12.714 ( 1.865 5.918 -5.818) 8.506 13.059 ( 1.733 -4.062 2.543) 5.096 13.262 ( -4.982 -2.675 -3.484) 6.642 13.357 ( -2.224 -0.582 -2.131) 3.135 13.661 ( -4.685 4.942 -5.188) 8.561 13.841 ( 7.583 -6.809 4.140) 11.000 14.000 ( -7.974 -0.658 1.661) 8.172 14.239 ( -8.227 9.600 -4.550) 13.436 14.382 ( 4.490 2.635 5.144) 7.319 14.778 ( -14.683 -0.431 -7.606) 16.542 14.913 ( 9.314 -10.449 -2.109) 14.156 15.200 ( 4.074 -6.882 -0.923) 8.051 15.297 ( -0.852 0.253 -0.128) 0.898 17.144 ( 6.238 -1.804 13.116) 14.635 17.225 ( 0.189 -1.718 8.862) 9.029 17.647 ( 2.184 5.293 -3.703) 6.819 17.843 ( 6.347 -1.345 -1.192) 6.596 18.803 ( 6.249 0.479 13.418) 14.810 18.937 ( 3.612 0.797 6.121) 7.152 19.316 ( 6.206 -2.096 -7.881) 10.248 19.598 ( 10.335 -5.553 -1.106) 11.784 21.584 ( 0.223 -3.107 0.010) 3.115 21.885 ( 4.280 -4.656 0.368) 6.335 21.947 ( 5.463 9.009 0.906) 10.575 22.099 ( 7.334 4.298 -0.400) 8.510 22.915 ( -15.011 0.237 2.910) 15.293 23.135 ( -8.235 -4.318 2.535) 9.638 23.491 ( -13.023 3.642 -4.355) 14.207 23.927 ( -6.935 -3.047 -17.917) 19.452 ======================= Grid point 62 (30/72) ======================= q-point: (-0.14 0.14 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.911 ( -4.667 18.848 19.152) 27.273 1.089 ( -16.257 18.942 15.653) 29.463 1.821 ( -38.088 23.663 20.507) 49.307 2.214 ( 1.994 4.476 -14.872) 15.659 2.217 ( -2.866 3.094 -16.376) 16.910 2.474 ( -2.210 2.269 -1.687) 3.589 2.549 ( 6.541 2.689 -1.183) 7.170 2.662 ( 5.079 1.107 -2.003) 5.571 2.745 ( 0.229 -2.568 4.611) 5.283 2.870 ( 3.015 -1.538 3.028) 4.541 2.929 ( -2.736 0.963 2.721) 3.977 3.009 ( 2.505 0.673 -1.627) 3.062 3.113 ( -4.338 -1.934 3.700) 6.021 3.174 ( -4.259 -1.026 -0.975) 4.488 3.254 ( 3.880 -3.764 1.877) 5.723 3.291 ( 2.687 -5.080 -0.047) 5.747 3.508 ( 5.046 -2.543 0.747) 5.699 3.530 ( -2.975 -2.765 2.122) 4.583 3.575 ( -1.357 -5.575 -5.773) 8.139 3.682 ( -8.343 -2.278 2.006) 8.878 3.775 ( -3.035 -4.197 -8.906) 10.302 3.837 ( -8.232 2.037 -9.652) 12.848 3.925 ( -1.290 -3.393 -3.325) 4.923 4.007 ( -5.410 -0.514 3.173) 6.293 4.067 ( -0.953 -4.817 3.671) 6.131 4.150 ( -0.775 -1.135 -7.832) 7.952 4.409 ( -0.563 1.782 1.253) 2.250 4.570 ( -0.422 7.558 6.676) 10.093 4.696 ( 6.767 -5.030 2.218) 8.718 4.753 ( 3.131 0.995 0.754) 3.370 4.786 ( 0.802 1.583 -3.304) 3.751 5.091 ( 2.190 7.971 2.947) 8.776 5.126 ( 2.500 -3.828 2.087) 5.026 5.419 ( 6.218 -3.076 5.080) 8.598 5.461 ( 0.736 -1.625 4.301) 4.656 5.648 ( 2.124 -0.199 -8.294) 8.564 5.854 ( 0.368 -4.087 2.671) 4.896 5.999 ( 1.728 -8.203 2.775) 8.831 6.217 ( 0.553 0.941 2.758) 2.967 6.353 ( 4.662 6.353 1.812) 8.086 6.703 ( 1.013 5.782 -1.671) 6.103 6.870 ( 1.885 3.597 5.268) 6.652 6.957 ( 0.439 0.652 -3.985) 4.062 7.145 ( 0.826 -2.912 2.427) 3.880 7.232 ( 5.196 2.000 0.343) 5.578 7.437 ( 0.515 4.381 -1.638) 4.706 7.581 ( 6.602 -2.601 -1.302) 7.214 7.647 ( -2.736 -0.780 -3.117) 4.220 7.694 ( 0.534 1.099 1.376) 1.840 7.772 ( 9.010 5.712 -0.999) 10.715 7.783 ( -2.324 -3.230 -2.615) 4.762 7.868 ( -3.489 -2.148 -0.583) 4.139 7.984 ( -1.005 -0.206 0.546) 1.163 8.065 ( 1.407 2.422 0.692) 2.885 8.173 ( -0.221 -1.229 1.559) 1.997 8.293 ( -1.023 2.198 2.254) 3.311 8.501 ( 4.790 -6.867 -3.582) 9.107 8.563 ( -0.633 4.669 8.693) 9.888 8.750 ( -3.263 -7.190 3.520) 8.645 8.872 ( 1.668 -1.458 8.101) 8.398 8.925 ( 1.254 0.611 -1.860) 2.325 8.998 ( -3.826 -3.993 -0.701) 5.575 9.041 ( -2.591 -7.892 -8.450) 11.849 9.111 ( -2.141 4.307 3.001) 5.669 9.320 ( -1.204 -8.683 2.531) 9.124 9.512 ( -3.469 8.675 3.316) 9.914 9.790 ( -0.977 6.397 0.215) 6.475 10.064 ( -2.520 5.384 -9.035) 10.815 10.348 ( -3.953 9.928 -14.905) 18.340 10.484 ( -7.055 -3.100 -7.524) 10.770 10.792 ( -1.927 2.683 6.971) 7.714 10.947 ( 2.271 3.203 8.384) 9.258 11.069 ( -6.612 -0.536 13.015) 14.608 11.139 ( -0.032 9.900 4.221) 10.763 11.538 ( 1.701 -6.197 1.143) 6.527 11.742 ( -2.830 0.689 -4.989) 5.777 12.105 ( -2.646 -1.290 -3.909) 4.893 12.155 ( -2.867 -4.115 -7.092) 8.686 12.385 ( -4.069 4.980 -16.619) 17.820 12.762 ( 2.405 3.333 -2.607) 4.867 13.068 ( -0.999 -8.687 1.474) 8.868 13.219 ( 2.267 -2.636 1.172) 3.669 13.409 ( 6.356 0.446 -2.717) 6.927 13.576 ( -3.856 1.157 -1.666) 4.357 13.694 ( -11.385 7.284 1.042) 13.556 14.016 ( 5.181 -7.905 2.709) 9.832 14.159 ( -8.446 3.555 -2.895) 9.610 14.495 ( 6.215 3.109 5.222) 8.693 14.588 ( -2.239 5.293 -5.473) 7.936 14.999 ( -1.316 -6.735 -0.085) 6.863 15.167 ( -4.693 -0.218 2.007) 5.109 15.335 ( 4.699 -10.189 -3.589) 11.780 17.206 ( -0.190 -1.462 7.522) 7.665 17.319 ( 8.377 -6.669 14.992) 18.423 17.699 ( 3.157 5.602 -1.838) 6.688 17.955 ( 4.703 -2.809 -1.604) 5.708 18.980 ( 5.896 -0.338 9.147) 10.887 19.024 ( 11.058 -8.470 22.281) 26.276 19.446 ( 6.580 -3.335 -9.546) 12.064 19.794 ( 8.780 -10.194 2.663) 13.714 21.634 ( 5.513 0.740 -0.088) 5.563 21.952 ( 3.194 -2.325 0.652) 4.004 22.067 ( 5.764 11.152 1.199) 12.610 22.260 ( 9.267 8.820 -1.220) 12.851 22.596 ( -16.250 -1.080 -0.148) 16.286 22.989 ( -5.824 -4.247 0.244) 7.212 23.246 ( -11.622 3.303 -2.763) 12.394 23.619 ( -25.776 2.073 -26.797) 37.240 ======================= Grid point 63 (31/72) ======================= q-point: ( 0.00 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( -2.029 20.460 19.977) 28.667 1.462 ( -0.287 25.258 12.389) 28.134 2.157 ( 1.460 34.304 9.158) 35.535 2.302 ( 0.531 6.817 -5.857) 9.003 2.406 ( 0.742 2.092 -3.803) 4.404 2.456 ( 0.127 5.377 -6.984) 8.815 2.586 ( -0.143 -5.474 3.210) 6.348 2.711 ( 0.078 2.029 -2.895) 3.536 2.756 ( 2.461 -0.649 0.511) 2.596 2.850 ( -1.231 -2.036 0.637) 2.463 2.937 ( 3.457 -0.080 1.388) 3.726 2.981 ( -5.560 -1.166 2.222) 6.100 3.059 ( 1.489 1.496 -4.586) 5.048 3.140 ( 0.269 3.318 -3.627) 4.923 3.159 ( -3.234 -6.979 -2.039) 7.958 3.282 ( -3.067 -2.758 1.116) 4.273 3.375 ( 5.005 -3.991 -4.077) 7.589 3.407 ( -3.166 -4.838 -1.115) 5.888 3.500 ( 0.662 -4.468 -4.348) 6.269 3.565 ( 1.181 -4.824 0.675) 5.012 3.619 ( 1.758 -3.432 -0.927) 3.966 3.718 ( -7.091 0.340 2.240) 7.444 3.812 ( 3.346 -7.777 -3.762) 9.264 3.926 ( -1.494 -1.726 2.051) 3.068 4.010 ( 1.953 -3.195 -0.035) 3.744 4.150 ( 3.453 1.583 -5.334) 6.548 4.419 ( -1.738 1.279 0.020) 2.158 4.625 ( 1.581 -13.658 4.644) 14.512 4.722 ( -0.554 5.296 7.012) 8.805 4.796 ( 1.701 -0.523 -0.769) 1.939 4.889 ( 1.049 7.471 2.433) 7.927 5.092 ( -0.081 -1.582 -5.177) 5.414 5.244 ( -6.464 -3.485 2.070) 7.630 5.328 ( 1.512 2.867 -0.807) 3.340 5.412 ( 0.089 -1.746 2.575) 3.112 5.714 ( 1.880 0.080 0.409) 1.926 5.781 ( -0.592 -2.089 2.180) 3.077 5.882 ( 0.925 -4.869 -1.990) 5.341 6.188 ( -1.743 -0.684 0.761) 2.021 6.398 ( -0.600 -3.672 -0.787) 3.803 6.756 ( -0.411 3.658 -1.631) 4.026 6.944 ( 0.217 0.182 -4.821) 4.829 7.067 ( -2.334 7.847 1.499) 8.323 7.159 ( 5.136 2.536 1.622) 5.953 7.375 ( 1.578 -0.482 7.212) 7.398 7.413 ( 0.051 -7.628 -0.116) 7.629 7.550 ( -4.370 -4.367 0.118) 6.179 7.601 ( -3.613 0.291 -3.316) 4.913 7.724 ( 3.642 4.872 0.788) 6.133 7.744 ( 2.611 -1.600 1.098) 3.253 7.825 ( 2.048 -0.068 0.554) 2.123 7.924 ( -0.527 -0.882 1.701) 1.988 7.985 ( -0.136 0.890 -4.353) 4.446 8.078 ( -6.050 0.797 -0.866) 6.163 8.192 ( 4.615 5.339 0.241) 7.061 8.297 ( -1.915 0.179 -0.528) 1.995 8.481 ( -3.222 -4.966 -1.926) 6.225 8.534 ( 0.185 -9.376 -2.594) 9.730 8.609 ( 9.063 0.364 -0.964) 9.121 8.713 ( -11.556 -5.325 -0.379) 12.729 8.804 ( 2.232 0.002 4.636) 5.146 8.998 ( 1.575 4.150 5.238) 6.866 9.132 ( -1.620 -0.559 6.360) 6.587 9.174 ( -0.509 1.882 3.693) 4.176 9.290 ( 6.072 2.373 0.971) 6.591 9.663 ( 4.053 6.816 2.961) 8.465 9.953 ( 2.168 5.892 -4.392) 7.662 9.979 ( -7.840 0.661 -12.308) 14.607 10.449 ( -2.924 4.511 -4.190) 6.816 10.522 ( -5.104 7.622 -12.897) 15.826 10.730 ( 0.167 -0.237 10.022) 10.026 10.963 ( 3.652 -2.077 15.990) 16.533 11.128 ( 0.919 6.934 0.137) 6.996 11.376 ( -0.484 9.746 4.213) 10.629 11.478 ( 3.898 -0.289 -4.016) 5.604 11.716 ( -2.783 3.390 -5.456) 7.000 11.986 ( -4.040 -3.302 -2.502) 5.786 12.069 ( 3.894 -6.249 -7.522) 10.526 12.524 ( 4.747 0.597 -9.388) 10.537 12.821 ( -2.678 -10.773 0.403) 11.108 12.927 ( 2.211 8.091 0.120) 8.389 13.184 ( -2.121 -2.555 2.184) 3.974 13.514 ( 0.571 -9.310 -3.474) 9.954 13.580 ( 7.961 -2.086 -6.549) 10.517 13.714 ( -2.530 13.006 -0.283) 13.253 13.927 ( -7.322 2.848 -4.592) 9.100 14.118 ( 4.720 3.538 13.591) 14.816 14.470 ( -1.453 -4.534 9.423) 10.557 14.708 ( 2.952 -1.315 -4.522) 5.558 14.766 ( -3.798 -9.536 -1.006) 10.313 15.141 ( 0.128 -3.181 -3.182) 4.501 15.180 ( 0.404 -4.183 -1.388) 4.426 17.179 ( -1.098 -0.449 6.607) 6.713 17.254 ( 0.703 -4.918 12.575) 13.521 17.825 ( 0.711 2.034 -1.175) 2.455 17.929 ( 0.089 -2.994 -1.755) 3.471 18.983 ( 0.617 -1.443 13.575) 13.666 19.043 ( -0.801 1.355 3.763) 4.079 19.420 ( 1.357 -5.833 -5.884) 8.395 19.579 ( -1.361 -13.000 -1.420) 13.148 21.804 ( 1.227 2.753 2.519) 3.928 21.946 ( -2.035 -0.897 0.630) 2.311 22.313 ( -5.692 4.347 -0.616) 7.188 22.390 ( 7.900 5.847 -0.640) 9.849 22.548 ( -1.575 -0.550 2.122) 2.699 22.894 ( 3.294 -6.752 -5.270) 9.176 23.178 ( -1.853 9.212 -0.746) 9.426 23.447 ( -1.281 5.201 -12.337) 13.450 ======================= Grid point 64 (32/72) ======================= q-point: ( 0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.351 ( 2.929 22.404 11.548) 25.374 1.521 ( 8.530 21.788 15.103) 27.849 2.277 ( 1.724 7.420 -5.906) 9.639 2.331 ( -4.039 -3.780 0.693) 5.575 2.452 ( 17.973 25.217 6.760) 31.696 2.531 ( 2.673 6.568 -8.149) 10.803 2.604 ( 1.029 -0.782 1.358) 1.875 2.670 ( -4.134 1.175 -1.309) 4.493 2.725 ( -4.530 -2.479 -3.808) 6.416 2.813 ( -3.141 -0.578 0.962) 3.335 2.959 ( 2.646 -2.324 6.098) 7.042 2.997 ( 2.683 -3.909 2.104) 5.187 3.045 ( -1.411 -1.961 -7.364) 7.750 3.134 ( 3.370 -2.752 -4.016) 5.921 3.168 ( 1.500 4.977 -1.566) 5.429 3.258 ( -0.203 -0.532 1.827) 1.913 3.305 ( -1.446 -4.655 -1.096) 4.996 3.487 ( -2.942 -4.337 -1.923) 5.582 3.510 ( 1.670 -3.052 -1.447) 3.768 3.615 ( 5.242 -1.851 4.534) 7.174 3.653 ( 1.379 -3.678 -2.389) 4.597 3.660 ( 4.419 -2.066 -4.771) 6.824 3.877 ( 0.859 -0.310 -0.125) 0.922 3.982 ( 7.715 -7.632 -0.475) 10.862 4.071 ( 5.408 -3.146 -3.001) 6.939 4.279 ( 8.155 1.191 -0.096) 8.242 4.394 ( -0.444 3.261 -2.785) 4.311 4.579 ( -6.278 -9.953 3.866) 12.386 4.686 ( -3.052 4.271 6.191) 8.117 4.807 ( -0.052 -0.914 1.677) 1.911 4.910 ( 0.411 3.901 6.942) 7.974 5.058 ( -4.671 -1.042 -0.767) 4.847 5.092 ( -6.477 -5.697 -4.137) 9.566 5.355 ( -0.849 1.544 0.587) 1.857 5.372 ( -3.650 4.755 -1.191) 6.112 5.719 ( -0.163 -1.465 2.545) 2.941 5.775 ( -0.531 -1.331 0.337) 1.472 5.898 ( 0.657 -5.300 -0.939) 5.423 6.161 ( -0.965 0.402 -0.702) 1.259 6.368 ( -2.063 -2.774 -0.239) 3.465 6.774 ( 1.626 4.447 -1.282) 4.906 6.952 ( 0.971 2.288 -4.391) 5.046 7.024 ( -0.894 7.558 0.859) 7.659 7.225 ( 1.614 3.000 4.005) 5.257 7.316 ( -5.871 2.308 -0.063) 6.309 7.410 ( -2.562 -10.192 -0.374) 10.515 7.469 ( -3.409 -2.197 3.230) 5.185 7.610 ( 3.185 -2.426 -0.918) 4.107 7.710 ( -2.639 2.393 -4.013) 5.366 7.770 ( -8.110 0.856 1.919) 8.378 7.809 ( 0.763 -3.840 -0.044) 3.915 7.887 ( 0.976 -1.987 4.096) 4.656 7.987 ( -0.364 5.786 -2.824) 6.449 8.094 ( 5.436 -0.305 -1.936) 5.778 8.187 ( -3.000 2.215 -2.728) 4.621 8.240 ( -2.874 4.936 -0.067) 5.712 8.475 ( 0.813 -5.484 1.826) 5.837 8.503 ( -7.210 -4.307 0.281) 8.403 8.564 ( 1.996 -12.621 -2.377) 12.997 8.741 ( 3.873 -1.222 6.047) 7.284 8.913 ( 5.721 4.578 -3.161) 7.980 8.983 ( -5.030 7.105 3.286) 9.305 9.057 ( -1.775 -2.607 5.483) 6.326 9.198 ( 2.613 0.931 2.854) 3.980 9.343 ( 1.078 -3.745 7.754) 8.678 9.762 ( 1.980 3.324 -0.104) 3.870 9.834 ( -4.162 3.086 -9.939) 11.209 10.027 ( 4.972 4.926 -6.589) 9.613 10.361 ( -4.625 4.617 -4.207) 7.772 10.500 ( 3.210 0.573 -8.358) 8.972 10.751 ( 0.294 1.920 8.440) 8.661 11.009 ( 0.821 6.656 3.555) 7.590 11.218 ( 7.951 -0.155 9.010) 12.018 11.393 ( 1.194 10.633 4.338) 11.546 11.568 ( 5.013 -0.515 1.150) 5.169 11.707 ( 2.491 5.269 -7.119) 9.200 11.916 ( -2.149 -1.806 -8.205) 8.672 12.183 ( 6.236 -3.128 -6.245) 9.363 12.547 ( -3.534 -6.684 -1.334) 7.677 12.738 ( -5.333 -11.295 1.860) 12.629 12.964 ( 1.903 8.511 -3.514) 9.402 13.125 ( -0.149 -2.406 1.656) 2.924 13.444 ( -4.495 -6.685 -0.904) 8.106 13.602 ( -3.909 -3.176 -8.089) 9.529 13.786 ( 6.153 5.891 5.743) 10.274 14.022 ( 9.640 3.468 1.266) 10.322 14.200 ( 6.160 4.352 5.061) 9.082 14.511 ( 4.170 -2.668 0.411) 4.967 14.621 ( -6.137 2.960 -5.596) 8.817 14.814 ( 2.993 -8.571 -2.180) 9.336 15.074 ( -6.005 -4.435 -2.081) 7.750 15.192 ( 1.237 -7.334 1.017) 7.507 17.143 ( -2.698 -0.254 7.404) 7.885 17.241 ( -1.865 -4.072 11.605) 12.439 17.817 ( -1.483 2.129 -1.767) 3.139 17.893 ( -3.434 -1.199 -1.968) 4.136 18.950 ( -4.316 0.187 11.419) 12.209 18.996 ( -3.329 0.269 4.712) 5.776 19.399 ( -3.140 -5.820 -4.948) 8.260 19.505 ( -5.577 -9.892 -2.695) 11.672 21.705 ( -8.386 3.350 1.072) 9.093 21.872 ( -4.273 -1.495 0.602) 4.567 22.231 ( -4.180 5.558 0.532) 6.975 22.375 ( -12.872 2.743 -0.365) 13.166 22.677 ( 17.195 1.202 2.037) 17.357 22.911 ( 3.309 -4.893 0.121) 5.908 23.337 ( 12.823 5.934 -2.686) 14.383 23.591 ( 13.251 0.868 -13.677) 19.063 ======================= Grid point 65 (33/72) ======================= q-point: ( 0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.522 ( 14.210 15.954 4.029) 21.741 1.765 ( 15.269 15.159 13.175) 25.229 2.264 ( -2.925 -2.637 -2.265) 4.543 2.306 ( 1.255 6.278 -2.933) 7.042 2.423 ( -12.126 0.616 -6.105) 13.590 2.490 ( -9.055 1.876 -2.827) 9.670 2.593 ( -0.025 6.049 -3.616) 7.047 2.699 ( -0.662 -3.869 1.058) 4.065 2.717 ( -0.218 2.431 -2.764) 3.688 2.867 ( 8.110 3.626 4.235) 9.842 2.968 ( -1.405 -6.448 3.448) 7.445 3.079 ( 8.209 5.578 -4.074) 10.729 3.123 ( 3.807 -6.924 3.872) 8.799 3.142 ( 1.542 1.574 -0.974) 2.409 3.228 ( 4.570 -2.387 -1.886) 5.490 3.296 ( 2.920 1.412 2.750) 4.252 3.322 ( 1.703 -3.367 0.689) 3.836 3.452 ( 1.250 -4.455 -5.356) 7.077 3.544 ( 2.981 3.963 1.882) 5.304 3.647 ( 2.244 -5.513 -3.828) 7.077 3.725 ( 3.898 -1.246 -2.403) 4.745 3.833 ( 7.655 1.895 6.373) 10.139 3.897 ( 4.510 0.413 -4.799) 6.598 4.119 ( 5.138 -5.114 2.220) 7.581 4.203 ( 6.148 -2.644 1.283) 6.814 4.368 ( -4.755 0.618 -2.881) 5.594 4.392 ( 2.515 0.328 -3.823) 4.588 4.501 ( 3.131 -4.283 0.246) 5.311 4.626 ( -3.135 -0.213 5.153) 6.035 4.778 ( -3.489 2.503 2.546) 4.992 4.866 ( -4.841 -4.317 9.344) 11.375 4.940 ( -2.705 0.811 1.844) 3.373 5.053 ( -1.761 -0.082 -1.208) 2.138 5.193 ( -11.565 -0.361 -0.234) 11.573 5.368 ( 0.598 8.870 -3.955) 9.730 5.736 ( 1.740 -1.752 3.485) 4.271 5.745 ( -2.743 -1.336 -1.482) 3.392 5.907 ( 0.232 -4.612 0.031) 4.618 6.151 ( 0.095 2.587 -1.767) 3.135 6.335 ( -1.206 -1.408 -0.559) 1.936 6.814 ( 3.146 6.891 -1.048) 7.648 6.974 ( 1.081 5.938 -2.177) 6.416 7.046 ( 2.323 5.716 -0.428) 6.185 7.184 ( -4.232 2.209 1.191) 4.920 7.265 ( -1.742 2.263 0.826) 2.973 7.352 ( -1.306 -8.896 -2.028) 9.217 7.382 ( -4.575 -0.556 1.855) 4.969 7.572 ( -7.676 1.955 -4.458) 9.090 7.641 ( -4.639 -3.213 -1.839) 5.935 7.654 ( -2.708 -4.265 -1.360) 5.231 7.844 ( 0.056 -0.599 -0.861) 1.051 7.903 ( -5.698 2.446 -1.333) 6.343 7.953 ( 5.248 -2.184 1.021) 5.775 8.123 ( 1.168 -2.444 0.875) 2.847 8.195 ( 1.229 -0.612 -1.289) 1.884 8.274 ( 6.102 2.763 -0.844) 6.752 8.405 ( -2.621 -4.278 3.614) 6.183 8.489 ( -0.060 -5.145 2.377) 5.668 8.581 ( -0.367 -10.935 -0.511) 10.953 8.785 ( -2.559 6.577 5.842) 9.162 8.860 ( -4.648 3.744 6.242) 8.636 8.943 ( -1.240 -1.927 4.776) 5.297 9.040 ( -0.888 -3.920 -1.410) 4.260 9.268 ( 0.426 -4.283 4.170) 5.993 9.406 ( 7.963 0.293 1.737) 8.156 9.739 ( 0.083 -6.522 -6.894) 9.490 9.816 ( -0.624 10.455 -2.367) 10.738 10.121 ( 2.942 3.625 -12.540) 13.381 10.307 ( 1.115 6.600 -0.945) 6.760 10.621 ( 8.354 -5.427 -0.611) 9.981 10.744 ( -0.688 1.510 7.075) 7.267 11.016 ( -0.148 4.614 0.546) 4.648 11.380 ( 0.030 5.861 5.883) 8.304 11.383 ( 5.720 -0.081 8.488) 10.235 11.652 ( 1.241 3.380 -1.453) 3.883 11.763 ( 1.576 9.840 -4.074) 10.766 11.919 ( 3.974 2.938 -8.429) 9.771 12.248 ( 0.614 -3.979 -2.604) 4.794 12.403 ( -9.896 -8.528 5.803) 14.295 12.701 ( 3.192 -9.092 -0.867) 9.675 12.985 ( -0.911 7.915 -6.367) 10.198 13.229 ( 8.917 -8.566 1.088) 12.412 13.378 ( -1.642 -4.153 3.291) 5.547 13.549 ( 0.072 -2.419 -4.506) 5.115 13.904 ( 6.190 1.940 5.723) 8.651 14.069 ( -3.402 1.878 2.167) 4.449 14.275 ( -4.100 4.963 -0.011) 6.437 14.494 ( -4.162 0.651 -6.209) 7.503 14.705 ( 16.062 2.610 -8.820) 18.509 14.790 ( -5.392 -4.708 -3.391) 7.921 15.000 ( -1.563 -8.951 0.658) 9.110 15.221 ( 1.370 -7.518 0.967) 7.703 17.093 ( -2.312 0.570 8.753) 9.071 17.206 ( -1.700 -3.189 10.621) 11.219 17.772 ( -2.919 2.275 -2.776) 4.626 17.818 ( -3.790 1.918 -2.638) 5.000 18.859 ( -4.401 2.569 6.332) 8.128 18.930 ( -3.585 -0.732 7.273) 8.141 19.319 ( -4.471 -4.753 -3.427) 7.370 19.394 ( -5.319 -5.215 -4.680) 8.797 21.584 ( -3.519 1.575 0.465) 3.883 21.783 ( -5.119 -3.465 0.319) 6.190 22.091 ( -8.969 4.943 0.501) 10.253 22.163 ( -8.573 2.144 -0.386) 8.846 22.979 ( 13.267 -0.097 4.320) 13.953 23.045 ( 8.582 -3.202 2.589) 9.519 23.581 ( 12.108 4.511 -4.152) 13.572 23.816 ( 8.884 -2.561 -12.063) 15.199 ======================= Grid point 66 (34/72) ======================= q-point: ( 0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.846 ( 18.011 7.324 -0.648) 19.454 2.053 ( -2.435 7.255 1.523) 7.803 2.073 ( -0.705 6.343 0.781) 6.429 2.279 ( 2.232 0.647 -2.200) 3.200 2.304 ( -7.806 0.836 -1.379) 7.970 2.401 ( 0.324 4.944 0.926) 5.041 2.551 ( -2.964 5.688 -0.160) 6.416 2.587 ( -5.709 3.647 -3.018) 7.417 2.779 ( 3.592 -6.412 1.946) 7.603 2.872 ( -3.054 -1.974 3.630) 5.138 2.979 ( 1.174 -0.583 -6.220) 6.357 3.123 ( -0.057 -3.030 -3.334) 4.505 3.182 ( -0.506 -2.887 1.856) 3.469 3.238 ( 1.830 -5.200 3.575) 6.570 3.290 ( 1.299 -3.543 -2.557) 4.559 3.311 ( 2.271 -2.738 -0.129) 3.560 3.376 ( 3.362 -5.417 -1.432) 6.535 3.553 ( 5.673 -0.284 -3.733) 6.797 3.605 ( 2.629 3.266 2.275) 4.771 3.705 ( 2.102 -3.653 -9.079) 10.010 3.816 ( 8.043 -0.135 0.836) 8.088 3.894 ( 1.042 6.681 6.285) 9.231 4.046 ( 2.808 -2.695 -0.290) 3.903 4.095 ( -6.017 4.285 3.544) 8.193 4.260 ( 2.216 -2.984 6.956) 7.886 4.285 ( -2.830 -4.689 0.825) 5.539 4.488 ( 4.187 0.045 -4.333) 6.026 4.562 ( 1.756 0.284 2.017) 2.690 4.572 ( -1.352 -2.556 -1.889) 3.454 4.712 ( -1.528 -0.607 1.212) 2.043 4.849 ( -1.605 4.126 -1.287) 4.610 4.888 ( -1.592 -0.695 8.720) 8.891 4.950 ( -3.010 2.278 1.139) 3.943 5.036 ( -4.992 1.234 4.619) 6.912 5.401 ( 2.415 5.081 -5.124) 7.610 5.681 ( -3.164 -1.512 -3.356) 4.854 5.767 ( 0.807 -1.210 3.866) 4.130 5.901 ( -0.889 -3.557 -0.034) 3.667 6.173 ( 2.224 3.990 -1.731) 4.885 6.321 ( -0.130 0.375 -0.903) 0.987 6.880 ( 2.094 9.589 0.043) 9.815 7.010 ( 3.841 5.975 -2.354) 7.483 7.072 ( -0.538 3.385 0.368) 3.447 7.096 ( -5.341 4.805 -0.923) 7.244 7.209 ( -1.718 -2.621 -0.332) 3.152 7.325 ( -0.667 -2.826 -3.721) 4.720 7.375 ( 0.403 -2.084 0.248) 2.137 7.469 ( -1.406 -0.752 -5.362) 5.594 7.568 ( -3.317 -3.025 -2.288) 5.039 7.596 ( 0.604 -3.093 -1.554) 3.514 7.707 ( -8.085 -0.168 -3.066) 8.649 7.899 ( -0.822 -3.697 0.177) 3.791 8.039 ( 3.423 -0.959 0.686) 3.620 8.159 ( -0.188 -3.540 3.495) 4.978 8.263 ( 6.214 1.716 -2.989) 7.106 8.368 ( 2.883 -1.055 0.755) 3.161 8.417 ( 4.092 -0.999 3.005) 5.174 8.477 ( -0.966 -4.440 1.430) 4.763 8.561 ( -1.273 -5.578 1.910) 6.032 8.686 ( -4.671 0.015 0.963) 4.769 8.758 ( -5.698 -2.024 7.902) 9.950 8.878 ( -5.523 -7.913 9.731) 13.705 9.083 ( 2.922 -0.814 0.504) 3.075 9.233 ( -1.691 -6.230 5.768) 8.657 9.548 ( 4.013 4.876 -2.966) 6.976 9.748 ( -0.538 -3.130 -3.169) 4.487 9.848 ( 5.137 8.298 -5.554) 11.229 10.094 ( -3.427 2.667 -16.315) 16.883 10.425 ( 8.635 6.405 7.693) 13.220 10.704 ( -1.517 3.838 2.825) 5.001 10.829 ( 10.864 -10.223 2.853) 15.188 10.980 ( -3.979 -4.976 0.659) 6.405 11.322 ( -2.613 7.371 5.925) 9.811 11.520 ( -9.543 11.434 -6.148) 16.112 11.579 ( 10.347 -5.378 1.943) 11.822 11.747 ( -5.537 4.151 7.584) 10.267 12.043 ( 6.312 6.203 -5.309) 10.320 12.236 ( -6.039 -4.832 5.674) 9.592 12.256 ( 0.251 -0.740 -2.713) 2.824 12.784 ( 2.406 -10.147 -10.870) 15.063 12.942 ( -0.916 6.046 -0.172) 6.118 13.296 ( -0.754 -3.628 7.732) 8.574 13.483 ( 8.889 -7.744 1.890) 11.939 13.628 ( 7.725 4.666 -1.878) 9.218 13.860 ( -12.091 5.984 -0.448) 13.498 14.058 ( -1.394 -2.530 -0.854) 3.012 14.145 ( 0.496 -0.554 -4.275) 4.339 14.426 ( -4.062 -9.884 -4.757) 11.697 14.773 ( 5.401 0.773 0.582) 5.487 14.888 ( -9.008 -3.786 1.097) 9.832 15.008 ( 10.296 -1.278 -7.826) 12.995 15.231 ( -0.237 -5.353 -2.356) 5.854 17.068 ( -0.541 1.399 10.141) 10.252 17.187 ( -0.648 -2.671 10.167) 10.532 17.720 ( -1.913 2.702 -3.232) 4.627 17.763 ( -1.601 2.968 -3.342) 4.747 18.801 ( -1.832 2.890 4.400) 5.574 18.879 ( -1.343 0.077 7.501) 7.621 19.242 ( -3.198 -2.755 -3.795) 5.677 19.327 ( -0.976 -3.435 -4.656) 5.868 21.572 ( 1.831 -0.961 0.522) 2.133 21.677 ( -5.286 -3.567 -0.230) 6.381 21.983 ( -1.453 2.894 0.146) 3.242 22.030 ( -4.997 1.445 0.193) 5.206 23.152 ( 3.821 -0.381 4.138) 5.645 23.178 ( 4.369 -2.412 4.366) 6.631 23.768 ( 6.418 2.778 -5.915) 9.159 23.910 ( 1.787 -1.386 -9.000) 9.280 ======================= Grid point 67 (35/72) ======================= q-point: (-0.43 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.719 ( -16.621 9.274 -1.521) 19.094 2.059 ( -11.279 7.876 4.278) 14.407 2.203 ( 10.933 4.837 -2.010) 12.123 2.264 ( 4.920 2.951 -1.059) 5.834 2.312 ( -0.003 -0.785 -4.154) 4.227 2.441 ( 5.440 3.771 1.351) 6.755 2.508 ( 2.119 4.353 2.514) 5.455 2.598 ( 4.487 5.335 -3.127) 7.640 2.808 ( -2.316 -4.329 3.331) 5.933 2.867 ( 4.360 -4.176 4.471) 7.512 2.979 ( -1.565 1.930 -6.667) 7.115 3.105 ( -1.867 -1.270 -5.402) 5.855 3.121 ( -5.512 -7.673 0.365) 9.454 3.204 ( -2.004 -4.536 3.166) 5.884 3.295 ( -0.754 -2.661 -3.791) 4.692 3.346 ( 0.153 -7.249 1.799) 7.471 3.451 ( 2.790 -2.316 -2.942) 4.669 3.487 ( -9.113 6.194 0.619) 11.036 3.684 ( -4.141 -5.374 -1.673) 6.987 3.732 ( 3.214 -0.585 -5.844) 6.695 3.846 ( -8.306 2.402 -2.560) 9.017 3.872 ( -2.235 1.302 6.727) 7.207 3.983 ( 4.987 2.650 3.445) 6.615 4.131 ( -2.819 -5.264 2.216) 6.369 4.188 ( -0.253 -3.405 2.298) 4.116 4.257 ( -3.547 -2.959 3.415) 5.745 4.459 ( -5.670 2.292 -2.316) 6.539 4.519 ( -6.872 0.695 -0.280) 6.913 4.599 ( 3.334 0.103 1.790) 3.785 4.772 ( 7.032 1.953 0.448) 7.312 4.820 ( -2.226 5.920 0.251) 6.330 4.892 ( 2.384 -4.420 -0.004) 5.022 5.007 ( 6.083 1.572 6.125) 8.774 5.048 ( 7.612 2.310 5.179) 9.492 5.419 ( -0.577 2.017 -2.797) 3.496 5.641 ( -1.240 -1.500 -3.463) 3.972 5.768 ( -0.127 -0.872 2.056) 2.237 5.878 ( -1.259 -3.306 -0.840) 3.636 6.220 ( 2.163 4.249 -0.723) 4.822 6.334 ( 1.314 1.043 -0.269) 1.699 6.886 ( -0.519 9.208 -1.379) 9.325 6.967 ( -5.330 3.147 -1.237) 6.312 7.032 ( -2.968 3.776 2.603) 5.462 7.096 ( 2.282 4.531 -1.430) 5.271 7.268 ( 4.762 -2.011 -6.097) 7.993 7.328 ( 1.714 -2.397 -2.358) 3.774 7.358 ( -0.607 3.004 1.341) 3.345 7.471 ( 3.696 -5.171 -4.577) 7.833 7.590 ( -1.405 -5.114 -6.059) 8.052 7.624 ( 4.926 3.642 0.243) 6.131 7.675 ( 6.346 -2.988 1.239) 7.123 7.857 ( -1.829 -2.750 -2.173) 3.953 8.046 ( -3.718 -1.266 0.893) 4.028 8.158 ( 0.642 -1.371 3.729) 4.024 8.279 ( -3.225 0.904 -3.016) 4.507 8.374 ( -5.111 -1.479 2.650) 5.944 8.452 ( -0.241 -5.632 0.466) 5.656 8.544 ( 5.113 4.288 2.395) 7.090 8.592 ( 4.207 -0.770 1.348) 4.485 8.634 ( 1.910 -7.897 0.182) 8.127 8.718 ( -0.105 -7.832 8.275) 11.394 8.782 ( -1.734 -8.438 8.474) 12.084 9.075 ( -2.581 -1.235 -0.169) 2.866 9.256 ( 2.518 -1.855 6.969) 7.638 9.562 ( -1.311 4.641 -3.305) 5.846 9.662 ( -8.943 -1.546 -1.315) 9.170 9.980 ( 5.404 9.809 -4.986) 12.259 10.048 ( 1.819 1.821 -14.898) 15.119 10.570 ( 4.665 4.136 10.551) 12.255 10.631 ( -5.913 1.498 3.008) 6.801 10.883 ( -3.805 -9.042 -1.474) 9.920 11.063 ( 10.283 -7.282 0.363) 12.605 11.257 ( -5.401 6.044 0.228) 8.109 11.360 ( -3.465 14.616 -1.858) 15.136 11.569 ( -10.028 2.677 10.126) 14.500 11.832 ( 12.768 -8.721 2.499) 15.662 12.080 ( -3.769 3.870 -3.675) 6.533 12.119 ( -3.619 1.016 -0.238) 3.766 12.279 ( -0.063 0.587 -2.887) 2.947 12.800 ( 2.105 -7.634 -13.497) 15.649 12.944 ( -1.512 1.546 6.204) 6.570 13.286 ( -1.064 2.480 5.476) 6.105 13.523 ( -4.837 -8.598 4.332) 10.775 13.620 ( -9.896 1.305 -1.577) 10.105 13.815 ( 9.237 9.828 -3.297) 13.885 13.991 ( -0.378 -1.954 -3.358) 3.903 14.268 ( 7.139 -3.194 0.268) 7.825 14.443 ( 7.124 -11.018 -6.118) 14.477 14.643 ( -13.827 0.751 -0.611) 13.861 14.908 ( 5.564 -6.868 -1.429) 8.954 15.026 ( -6.784 0.722 -3.438) 7.639 15.270 ( 2.908 -3.054 -3.050) 5.204 17.074 ( 0.958 1.095 11.043) 11.139 17.182 ( -0.185 -2.189 9.488) 9.739 17.711 ( 1.134 3.385 -3.606) 5.074 17.762 ( 1.629 1.488 -3.272) 3.946 18.791 ( 0.844 3.118 5.649) 6.507 18.891 ( 2.224 0.581 6.375) 6.777 19.212 ( 0.488 -1.720 -4.993) 5.303 19.356 ( 3.812 -4.599 -3.539) 6.943 21.568 ( -2.072 -0.808 0.424) 2.264 21.681 ( 5.478 -3.844 -0.148) 6.694 21.990 ( 1.744 2.735 0.273) 3.255 22.029 ( 5.283 1.773 0.187) 5.575 23.128 ( -6.199 -0.045 3.786) 7.264 23.183 ( -4.081 -2.667 4.070) 6.351 23.767 ( -6.160 3.017 -5.921) 9.061 23.927 ( -0.110 -1.803 -8.410) 8.602 ======================= Grid point 68 (36/72) ======================= q-point: (-0.29 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.458 ( -9.620 17.594 5.436) 20.776 1.771 ( -15.877 15.374 11.205) 24.779 2.240 ( 1.277 0.471 -5.066) 5.245 2.343 ( -1.657 2.703 -2.846) 4.261 2.425 ( 7.018 2.484 -6.352) 9.786 2.524 ( 8.329 1.795 -1.410) 8.636 2.643 ( -0.108 4.992 -3.179) 5.920 2.678 ( 6.986 -0.041 1.823) 7.220 2.773 ( -0.747 -2.001 2.051) 2.962 2.836 ( -12.662 4.045 4.477) 14.027 2.982 ( 4.399 -0.519 3.443) 5.610 3.050 ( -0.198 -2.742 -2.198) 3.520 3.058 ( -4.462 -2.890 -2.313) 5.798 3.130 ( -8.249 7.141 2.260) 11.142 3.203 ( -4.506 0.286 -4.624) 6.462 3.322 ( -4.308 -2.325 2.647) 5.565 3.355 ( 1.673 -2.350 -2.820) 4.034 3.443 ( -2.574 -6.580 -1.629) 7.251 3.556 ( -4.365 -1.111 -0.931) 4.600 3.753 ( -1.578 -2.480 1.066) 3.127 3.771 ( -3.827 -4.904 -4.461) 7.655 3.825 ( -2.519 -5.698 0.205) 6.234 3.914 ( -9.849 -2.435 5.046) 11.331 4.032 ( -3.385 -1.709 -0.503) 3.825 4.175 ( -4.299 -1.399 3.738) 5.866 4.292 ( -6.206 4.316 -9.424) 12.081 4.362 ( 6.064 -4.948 0.919) 7.880 4.441 ( 1.379 0.874 -0.298) 1.659 4.675 ( 3.291 3.375 4.116) 6.258 4.714 ( -3.557 -1.148 4.468) 5.825 4.871 ( 0.438 3.105 0.682) 3.209 4.983 ( 5.707 -2.360 -0.389) 6.188 5.172 ( 8.439 0.505 9.315) 12.579 5.210 ( 7.907 2.535 -3.157) 8.883 5.408 ( -0.084 -0.439 2.034) 2.083 5.619 ( -0.349 -1.044 -4.042) 4.189 5.775 ( 0.587 -1.349 2.051) 2.524 5.863 ( -0.190 -3.613 -2.297) 4.286 6.243 ( 0.051 2.409 0.325) 2.431 6.360 ( 1.336 -0.080 0.157) 1.348 6.884 ( -0.514 1.654 -0.686) 1.863 6.898 ( -1.777 9.896 -4.173) 10.886 6.983 ( -0.769 3.600 3.788) 5.283 7.121 ( 0.509 1.297 -0.731) 1.573 7.265 ( -0.589 2.421 -3.379) 4.199 7.382 ( 3.979 -5.243 -1.221) 6.694 7.464 ( 7.214 2.051 2.519) 7.912 7.541 ( 2.194 -0.313 -2.573) 3.396 7.640 ( 5.681 -3.701 -7.523) 10.127 7.697 ( 2.520 -1.224 2.352) 3.658 7.806 ( 6.083 1.815 -0.043) 6.348 7.886 ( 1.431 -4.355 2.886) 5.417 7.936 ( -3.322 1.579 -2.949) 4.714 8.127 ( -5.137 0.929 -0.191) 5.224 8.234 ( 1.438 -0.564 -0.407) 1.597 8.295 ( -3.553 -1.226 -0.084) 3.759 8.388 ( -3.777 -2.454 3.030) 5.428 8.561 ( -2.791 -10.805 2.092) 11.354 8.631 ( 3.239 -5.354 0.832) 6.313 8.750 ( 5.619 -1.883 0.791) 5.979 8.773 ( 3.184 6.435 5.851) 9.261 8.853 ( 7.878 -10.134 7.653) 14.945 9.039 ( -0.216 -0.331 -1.979) 2.018 9.274 ( -2.021 4.011 4.756) 6.542 9.418 ( -13.536 0.582 0.883) 13.578 9.553 ( 0.371 -1.512 -4.161) 4.443 9.983 ( -1.098 7.644 -7.569) 10.813 10.191 ( 8.064 6.635 -2.536) 10.746 10.437 ( -10.656 -1.927 -7.315) 13.068 10.641 ( 0.096 1.761 7.714) 7.913 10.840 ( -0.359 -3.362 1.975) 3.916 11.074 ( -5.699 9.188 5.749) 12.246 11.222 ( -4.525 -5.941 -5.389) 9.209 11.365 ( 4.471 8.229 -0.867) 9.405 11.443 ( -2.507 8.380 11.409) 14.376 11.870 ( -7.656 -0.905 -0.939) 7.766 12.047 ( 0.736 -2.387 -6.428) 6.896 12.198 ( 10.912 -3.609 -2.571) 11.778 12.215 ( -5.299 -0.675 -3.142) 6.197 12.847 ( -0.183 -13.229 -2.774) 13.518 12.889 ( -0.974 7.869 1.374) 8.048 13.225 ( -4.561 1.854 1.558) 5.164 13.402 ( -4.334 -0.119 -0.661) 4.386 13.532 ( -1.724 -10.225 -1.141) 10.432 13.886 ( 1.894 5.125 2.673) 6.083 14.051 ( -0.370 6.269 1.803) 6.533 14.340 ( -2.300 0.502 2.592) 3.501 14.458 ( 1.827 3.493 -5.748) 6.970 14.631 ( 3.641 -10.749 -10.639) 15.556 14.814 ( -4.668 -2.758 -2.898) 6.148 15.024 ( 2.437 -6.219 1.010) 6.755 15.261 ( -3.584 -3.787 0.298) 5.223 17.117 ( 3.276 -0.527 10.969) 11.460 17.186 ( 0.425 -1.904 8.941) 9.151 17.749 ( 2.513 3.719 -3.621) 5.767 17.817 ( 3.833 -0.853 -2.505) 4.658 18.839 ( 3.888 2.978 8.260) 9.603 18.953 ( 3.712 0.577 5.460) 6.628 19.260 ( 4.383 -2.746 -5.516) 7.562 19.452 ( 5.736 -7.591 -2.667) 9.882 21.576 ( 3.247 1.762 0.297) 3.706 21.793 ( 5.673 -4.016 0.525) 6.970 22.099 ( 8.790 5.261 0.653) 10.265 22.171 ( 9.326 2.395 -0.197) 9.631 22.928 ( -14.298 0.885 2.727) 14.582 23.043 ( -9.591 -3.932 2.399) 10.640 23.584 ( -11.716 4.866 -4.049) 13.317 23.855 ( -7.763 -3.560 -10.663) 13.661 ======================= Grid point 69 (37/72) ======================= q-point: (-0.14 0.29 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.376 ( 0.011 22.503 14.308) 26.667 1.515 ( -9.618 21.467 14.073) 27.411 2.292 ( -0.307 2.926 -3.487) 4.563 2.310 ( 2.788 4.416 -8.504) 9.980 2.411 ( -20.134 24.558 7.006) 32.520 2.528 ( 0.234 1.945 -3.711) 4.196 2.594 ( -2.066 0.497 0.343) 2.153 2.653 ( 2.996 0.087 -1.912) 3.555 2.741 ( 0.213 1.880 -2.067) 2.802 2.834 ( 3.333 -0.053 2.683) 4.279 2.922 ( -3.263 -0.457 4.851) 5.864 3.042 ( 1.485 -1.672 -1.823) 2.885 3.065 ( -1.041 -1.974 -0.973) 2.435 3.121 ( 1.596 2.221 -7.041) 7.553 3.202 ( 1.433 -2.060 1.970) 3.190 3.225 ( -0.876 -0.550 -1.399) 1.740 3.380 ( -3.349 -7.659 1.870) 8.566 3.437 ( 4.317 -6.341 -4.588) 8.939 3.500 ( -1.271 -1.829 -2.638) 3.452 3.629 ( -9.978 -2.070 4.274) 11.050 3.666 ( -5.553 -5.603 0.122) 7.890 3.774 ( -2.209 -8.231 -6.387) 10.650 3.829 ( 0.255 -4.898 -0.779) 4.966 3.976 ( -4.004 -2.283 2.444) 5.217 4.046 ( -6.233 1.943 3.071) 7.215 4.162 ( -4.039 1.841 -9.391) 10.387 4.454 ( -1.399 1.010 1.134) 2.064 4.528 ( 7.835 -8.306 1.968) 11.587 4.714 ( 1.533 1.235 3.756) 4.241 4.730 ( 3.674 2.856 3.497) 5.821 4.875 ( 0.437 3.572 0.465) 3.629 5.063 ( 2.916 -1.418 -0.970) 3.384 5.284 ( 2.150 7.491 -2.325) 8.133 5.309 ( 2.501 -7.375 5.050) 9.282 5.405 ( -0.404 -1.638 3.101) 3.531 5.652 ( 3.548 0.309 -2.778) 4.517 5.785 ( 0.285 -2.443 3.051) 3.919 5.867 ( 0.630 -3.997 -2.690) 4.859 6.223 ( -1.790 0.006 1.040) 2.071 6.387 ( 1.384 -2.313 -0.373) 2.722 6.804 ( -4.275 4.417 -2.266) 6.551 6.932 ( 1.596 1.541 -3.360) 4.027 7.029 ( 5.227 8.266 3.776) 10.484 7.115 ( -0.997 -0.716 -1.630) 2.040 7.299 ( 3.978 0.162 2.971) 4.968 7.433 ( 0.046 -3.038 -0.522) 3.083 7.577 ( 3.473 -0.249 0.864) 3.588 7.612 ( 5.565 1.364 1.736) 5.987 7.655 ( -1.691 -2.998 -5.177) 6.217 7.757 ( -3.785 -3.388 0.528) 5.107 7.793 ( 2.314 4.269 0.525) 4.884 7.910 ( 1.162 -5.056 3.006) 5.996 7.986 ( 2.211 4.996 -2.683) 6.087 8.066 ( 2.486 1.533 -0.520) 2.966 8.203 ( -5.218 0.298 -2.187) 5.666 8.327 ( -0.442 0.173 2.934) 2.972 8.379 ( 9.541 -2.382 -3.296) 10.372 8.520 ( -1.422 -9.828 -2.542) 10.251 8.633 ( -4.965 -4.791 3.456) 7.717 8.770 ( 0.813 -4.222 7.384) 8.545 8.878 ( 2.463 2.558 -2.776) 4.507 8.989 ( 1.383 -0.203 5.666) 5.836 9.073 ( 2.131 1.246 1.114) 2.708 9.148 ( -0.766 1.764 2.082) 2.834 9.258 ( -4.588 3.665 4.387) 7.330 9.601 ( 3.721 -0.377 -3.353) 5.023 9.958 ( -1.452 8.113 -4.471) 9.376 10.148 ( -10.283 3.207 -2.313) 11.017 10.406 ( 5.996 0.490 -9.857) 11.548 10.612 ( -2.412 8.903 -6.565) 11.321 10.846 ( -5.985 2.281 5.130) 8.206 10.912 ( -4.170 -6.288 17.704) 19.245 11.145 ( -1.968 6.797 -3.985) 8.121 11.409 ( -1.474 12.770 6.830) 14.557 11.430 ( 1.069 -1.551 -3.374) 3.864 11.767 ( -2.532 2.322 0.405) 3.459 12.047 ( -1.500 -5.572 -9.955) 11.507 12.081 ( -5.161 -1.371 -5.689) 7.803 12.407 ( 8.157 -1.583 -5.568) 10.002 12.824 ( 0.701 -12.736 8.447) 15.299 12.905 ( 0.359 8.410 -6.691) 10.753 13.177 ( 0.296 -1.078 2.848) 3.059 13.400 ( 4.283 -2.324 -3.912) 6.249 13.522 ( 1.051 -6.869 -4.654) 8.364 13.855 ( -8.936 8.870 1.371) 12.665 14.013 ( 3.565 6.773 7.540) 10.744 14.194 ( -14.419 1.279 -0.882) 14.503 14.513 ( -0.076 -1.343 2.142) 2.530 14.609 ( 3.357 -5.343 -7.258) 9.618 14.851 ( -0.899 -7.718 -1.044) 7.840 15.079 ( 4.561 -5.772 -1.220) 7.457 15.189 ( -2.283 -2.615 0.299) 3.484 17.179 ( 1.433 -1.081 7.034) 7.259 17.210 ( 2.562 -3.287 12.488) 13.165 17.795 ( 2.186 3.100 -2.414) 4.496 17.891 ( 3.488 -2.709 -1.913) 4.813 18.928 ( 4.397 1.024 11.488) 12.343 19.019 ( 2.692 0.984 4.510) 5.343 19.356 ( 4.994 -4.716 -5.804) 8.993 19.551 ( 3.956 -11.381 -1.775) 12.179 21.689 ( 7.896 3.637 0.708) 8.722 21.897 ( 5.140 -2.498 1.242) 5.848 22.244 ( 5.270 6.491 0.829) 8.402 22.396 ( 13.067 3.152 0.174) 13.443 22.613 ( -17.273 2.387 0.059) 17.438 22.882 ( -5.086 -5.577 -0.716) 7.582 23.350 ( -11.941 6.193 -2.181) 13.627 23.633 ( -13.800 -0.779 -12.399) 18.568 ======================= Grid point 70 (38/72) ======================= q-point: ( 0.00 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.780 ( -1.651 19.628 14.652) 24.549 1.958 ( 0.293 20.550 7.878) 22.010 2.158 ( -1.356 -13.813 9.990) 17.101 2.335 ( 1.904 -13.260 5.269) 14.395 2.517 ( -1.354 9.149 -6.083) 11.070 2.630 ( 4.427 4.330 -4.472) 7.639 2.673 ( -0.759 -4.136 -2.595) 4.941 2.697 ( 3.753 0.351 -2.138) 4.333 2.841 ( -1.629 6.611 -2.290) 7.183 2.882 ( -2.579 3.703 -3.964) 6.006 2.950 ( 0.324 5.192 -3.262) 6.141 2.998 ( -3.497 7.226 0.014) 8.028 3.036 ( -6.551 -3.738 -3.025) 8.127 3.076 ( 0.677 1.909 -0.989) 2.253 3.185 ( -1.535 -6.802 0.680) 7.006 3.279 ( 0.759 -10.077 -4.373) 11.011 3.300 ( 3.355 8.074 -4.867) 10.006 3.374 ( -0.880 -2.462 0.180) 2.621 3.393 ( 0.814 4.738 0.619) 4.847 3.499 ( 1.698 -1.728 -4.189) 4.839 3.560 ( 0.434 -1.430 4.474) 4.717 3.615 ( 3.772 -8.394 -2.795) 9.618 3.753 ( -0.504 5.650 5.071) 7.609 3.930 ( 4.496 -3.312 0.013) 5.584 3.974 ( -3.353 2.163 9.110) 9.945 4.140 ( 0.470 -9.047 0.850) 9.099 4.319 ( 0.098 -3.991 -1.521) 4.272 4.396 ( -1.028 -5.314 -4.077) 6.776 4.786 ( 1.579 3.040 0.461) 3.457 4.829 ( 0.174 0.948 0.346) 1.024 5.055 ( -3.652 -0.517 -0.266) 3.698 5.066 ( 3.845 7.987 3.544) 9.546 5.111 ( -6.076 -4.729 -0.569) 7.720 5.246 ( 1.712 -7.847 1.561) 8.182 5.558 ( 1.162 9.315 -2.005) 9.599 5.700 ( 1.697 -2.849 -1.122) 3.500 5.767 ( -0.147 0.401 2.757) 2.790 5.796 ( -0.194 -3.019 0.382) 3.049 6.200 ( -1.305 2.256 -0.744) 2.711 6.287 ( -0.779 -5.569 -1.018) 5.714 6.868 ( -0.298 6.095 -2.140) 6.467 6.958 ( -0.728 -0.815 -4.505) 4.636 7.089 ( 1.822 0.825 1.638) 2.585 7.197 ( 2.272 -8.082 3.104) 8.950 7.363 ( 2.707 9.358 0.613) 9.761 7.403 ( -4.097 2.479 0.552) 4.820 7.455 ( -0.957 -4.126 -1.475) 4.485 7.557 ( -3.403 -6.131 -2.537) 7.457 7.738 ( 2.256 1.189 5.766) 6.305 7.780 ( -1.001 -2.795 5.299) 6.075 7.822 ( -0.608 5.997 -1.889) 6.317 7.923 ( 1.166 -1.673 -3.528) 4.075 8.066 ( 3.732 6.102 -0.407) 7.164 8.121 ( -1.844 2.152 -0.080) 2.835 8.209 ( 2.063 -2.221 1.299) 3.297 8.253 ( 1.142 -8.796 -2.704) 9.273 8.381 ( 0.156 2.244 -5.153) 5.623 8.448 ( -5.367 -1.104 -3.946) 6.753 8.560 ( 1.194 -2.154 2.452) 3.476 8.612 ( -1.287 -3.217 2.274) 4.145 8.963 ( 1.107 9.743 2.563) 10.135 9.041 ( 0.476 1.767 12.050) 12.188 9.089 ( 1.572 -2.569 10.614) 11.033 9.136 ( -1.510 -5.257 4.558) 7.120 9.447 ( 1.168 9.959 -7.218) 12.354 9.649 ( 4.063 -7.325 -9.607) 12.746 10.024 ( -4.900 3.407 -4.620) 7.547 10.050 ( -0.860 1.699 -4.355) 4.754 10.507 ( -4.804 1.938 1.276) 5.335 10.557 ( -7.077 -2.376 -1.769) 7.672 10.826 ( 6.316 6.830 2.922) 9.751 10.927 ( 8.420 -2.473 8.093) 11.938 11.267 ( -2.596 5.740 -0.719) 6.341 11.359 ( -2.945 -3.178 -4.929) 6.563 11.685 ( 0.189 10.004 -0.927) 10.049 11.799 ( 1.270 1.561 -1.660) 2.609 11.911 ( -4.028 -2.549 -7.571) 8.947 11.953 ( 5.417 -3.916 -4.048) 7.814 12.509 ( 0.961 0.278 0.088) 1.005 12.594 ( -1.368 -8.270 4.596) 9.560 13.108 ( 0.114 6.933 0.591) 6.959 13.186 ( -0.518 1.356 -2.660) 3.030 13.355 ( 0.886 -3.908 -1.060) 4.145 13.444 ( 4.972 -8.490 -1.899) 10.020 13.954 ( -3.701 7.551 -0.728) 8.441 13.989 ( -5.056 2.518 -0.294) 5.656 14.281 ( 5.429 10.128 3.263) 11.945 14.411 ( -3.046 0.470 5.833) 6.597 14.524 ( 4.991 -10.711 -0.284) 11.820 14.568 ( -1.258 -10.227 2.380) 10.575 15.110 ( -0.831 1.349 -3.746) 4.067 15.148 ( -0.938 -1.644 -4.451) 4.837 17.176 ( -0.593 0.251 7.426) 7.454 17.193 ( 0.299 -1.469 8.982) 9.106 17.850 ( 0.406 0.904 -2.626) 2.807 17.878 ( 0.589 -1.843 -2.040) 2.812 19.024 ( -0.291 3.151 4.945) 5.871 19.059 ( -0.642 -0.015 3.400) 3.460 19.319 ( 0.576 -2.343 -2.675) 3.603 19.367 ( -0.209 -6.681 -3.120) 7.377 21.864 ( 0.464 2.766 2.247) 3.594 21.915 ( -0.563 -1.982 1.430) 2.509 22.399 ( -2.402 3.848 0.840) 4.613 22.464 ( 0.106 -1.289 1.225) 1.782 22.576 ( 1.416 5.842 -1.308) 6.152 22.733 ( 2.107 -8.013 -3.188) 8.878 23.361 ( -0.625 7.364 -2.162) 7.700 23.468 ( -0.525 -2.445 -5.507) 6.048 ======================= Grid point 71 (39/72) ======================= q-point: ( 0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.787 ( 2.178 18.693 9.693) 21.169 1.981 ( 3.073 19.125 9.967) 21.784 2.141 ( -0.684 -11.433 6.494) 13.166 2.341 ( -0.803 -9.624 6.679) 11.742 2.539 ( 3.617 4.663 -4.480) 7.409 2.632 ( -2.337 0.572 -2.259) 3.301 2.682 ( -4.201 -0.918 -8.087) 9.159 2.707 ( -4.108 -0.582 -5.342) 6.764 2.827 ( -3.693 2.880 -2.651) 5.381 2.834 ( 2.266 4.855 0.621) 5.393 2.910 ( -2.564 -2.335 2.873) 4.504 2.926 ( 0.364 -1.177 0.298) 1.268 3.058 ( 5.404 4.336 -5.199) 8.663 3.090 ( 1.073 1.163 -4.186) 4.475 3.166 ( 1.342 -2.927 -0.909) 3.345 3.288 ( 0.044 -8.760 -4.428) 9.816 3.353 ( 0.459 3.634 1.990) 4.169 3.394 ( 3.954 9.067 -2.978) 10.330 3.428 ( 0.766 -3.428 1.083) 3.676 3.563 ( 3.009 -5.379 -2.427) 6.624 3.627 ( 8.991 2.485 4.248) 10.250 3.712 ( 2.673 2.364 0.058) 3.569 3.786 ( 8.860 1.264 1.871) 9.144 3.977 ( 2.127 2.090 8.600) 9.102 4.013 ( 4.367 -1.751 -3.910) 6.118 4.200 ( 3.908 -14.699 3.888) 15.699 4.359 ( 3.072 -0.794 -2.813) 4.240 4.411 ( 3.078 -2.434 -4.924) 6.296 4.784 ( -4.509 4.412 2.872) 6.931 4.803 ( 0.135 1.685 1.830) 2.491 4.942 ( -6.806 -3.161 7.104) 10.333 4.960 ( -7.291 -4.466 -3.598) 9.276 5.110 ( -0.241 6.452 -1.052) 6.542 5.255 ( -2.316 -6.392 2.045) 7.100 5.576 ( 0.435 9.219 -2.263) 9.503 5.714 ( 0.350 -1.956 -0.748) 2.123 5.749 ( -1.690 0.128 3.106) 3.538 5.799 ( 0.694 -3.878 0.020) 3.939 6.189 ( 0.173 2.585 -1.906) 3.216 6.273 ( -0.496 -5.056 -1.386) 5.266 6.902 ( 3.492 6.393 -0.954) 7.347 6.980 ( 3.064 -0.277 -4.215) 5.219 7.107 ( -0.104 1.737 0.733) 1.888 7.208 ( -1.327 -7.665 1.988) 8.029 7.303 ( -3.659 3.450 1.520) 5.253 7.360 ( -5.226 -0.505 -1.818) 5.556 7.468 ( 3.205 3.330 -2.121) 5.085 7.564 ( 3.121 -3.400 -3.731) 5.935 7.712 ( -4.902 -0.463 2.326) 5.446 7.735 ( -3.005 -2.699 5.665) 6.957 7.797 ( -2.601 5.106 -2.340) 6.190 7.896 ( -2.890 -0.214 -1.176) 3.127 8.058 ( -3.941 -1.411 -0.625) 4.233 8.075 ( -4.837 0.371 -1.851) 5.192 8.218 ( -1.139 1.137 -0.989) 1.889 8.284 ( 0.579 -7.810 2.573) 8.244 8.372 ( 1.721 -2.562 -0.893) 3.213 8.393 ( -2.140 -1.052 -2.589) 3.520 8.475 ( -2.399 8.995 4.010) 10.136 8.690 ( 6.088 -7.249 5.164) 10.783 9.017 ( -1.307 3.992 6.035) 7.353 9.072 ( 3.317 3.537 5.339) 7.212 9.105 ( 0.543 1.597 6.072) 6.302 9.175 ( 5.930 -1.878 2.209) 6.601 9.333 ( -9.580 5.913 -1.793) 11.400 9.576 ( -8.590 -13.040 -9.288) 18.169 10.017 ( 1.888 7.046 -5.081) 8.890 10.091 ( 3.650 0.101 -7.539) 8.376 10.436 ( -0.708 2.352 1.875) 3.091 10.483 ( -1.144 -1.870 -4.117) 4.664 10.892 ( -1.196 11.814 6.361) 13.471 11.130 ( 8.883 -6.223 7.958) 13.452 11.187 ( -3.247 5.941 -3.509) 7.626 11.349 ( 3.626 -7.964 -0.901) 8.796 11.720 ( 4.030 8.962 -1.809) 9.991 11.837 ( 2.658 -1.144 -3.028) 4.188 11.942 ( 6.796 9.270 -5.467) 12.728 12.113 ( 8.659 -4.658 -4.717) 10.906 12.434 ( -7.953 -2.336 2.279) 8.597 12.502 ( -6.679 -8.830 5.211) 12.236 13.072 ( -2.568 3.161 0.869) 4.165 13.154 ( -2.949 -0.871 -1.384) 3.373 13.329 ( -1.153 1.040 -0.127) 1.558 13.465 ( -1.120 -7.942 -1.535) 8.167 13.960 ( 1.705 8.231 1.892) 8.616 14.061 ( 6.598 -0.830 -0.317) 6.658 14.356 ( 3.665 8.910 -0.024) 9.634 14.457 ( 8.100 -1.499 -1.362) 8.350 14.573 ( 4.663 -4.752 1.638) 6.856 14.625 ( 1.083 -8.886 -0.907) 8.998 15.026 ( -6.987 1.126 -2.469) 7.496 15.086 ( -4.167 -3.798 -2.842) 6.313 17.150 ( -2.111 0.909 7.871) 8.200 17.181 ( -1.584 -2.007 8.804) 9.168 17.844 ( -0.951 1.155 -2.709) 3.094 17.871 ( -1.109 -1.198 -2.127) 2.681 18.985 ( -3.595 2.068 5.131) 6.598 19.006 ( -4.407 0.104 3.139) 5.412 19.301 ( -2.159 -1.973 -2.456) 3.819 19.343 ( -2.106 -5.379 -3.287) 6.647 21.776 ( -7.714 3.180 1.264) 8.439 21.834 ( -6.286 -2.250 1.022) 6.754 22.335 ( -6.171 4.021 0.051) 7.366 22.390 ( -9.691 -1.036 -0.107) 9.747 22.717 ( 13.308 2.746 1.276) 13.648 22.800 ( 7.370 -5.020 0.466) 8.929 23.471 ( 10.150 5.992 -3.435) 12.277 23.568 ( 9.494 -2.947 -6.406) 11.826 ======================= Grid point 72 (40/72) ======================= q-point: ( 0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.870 ( 6.484 15.533 2.761) 17.057 2.101 ( 8.690 15.506 11.524) 21.184 2.139 ( 0.924 -9.166 1.025) 9.269 2.345 ( 0.869 -4.885 7.205) 8.748 2.448 ( -13.484 2.136 -6.745) 15.227 2.522 ( -8.560 -3.418 -6.042) 11.021 2.616 ( 2.642 2.248 -3.248) 4.752 2.684 ( -0.863 -1.241 -1.072) 1.853 2.763 ( -2.510 6.027 1.621) 6.727 2.866 ( -1.175 -2.601 2.948) 4.103 2.921 ( 2.860 -5.423 4.074) 7.361 2.961 ( 3.617 -2.814 -1.274) 4.757 3.087 ( 0.951 1.788 -4.471) 4.908 3.163 ( 1.944 -1.790 -0.529) 2.695 3.232 ( 4.560 1.416 -4.554) 6.599 3.305 ( -2.563 -2.145 -1.743) 3.769 3.329 ( 1.191 0.633 -3.950) 4.174 3.369 ( 0.156 -1.039 -0.753) 1.292 3.527 ( 5.641 2.097 -3.415) 6.920 3.645 ( 4.440 -5.409 -2.915) 7.580 3.788 ( 4.708 9.128 3.549) 10.867 3.837 ( 10.083 -0.073 1.778) 10.239 3.997 ( 10.342 0.312 1.431) 10.445 4.021 ( 3.455 6.322 3.496) 8.008 4.130 ( 7.572 -4.687 3.146) 9.445 4.221 ( -1.557 -12.708 3.134) 13.181 4.422 ( 3.382 2.585 -6.330) 7.628 4.475 ( 3.026 -1.384 -5.323) 6.278 4.661 ( -6.746 4.078 1.374) 8.001 4.759 ( -8.868 -4.880 4.254) 10.980 4.833 ( 1.972 4.056 5.724) 7.287 4.944 ( 2.661 -3.774 7.095) 8.465 5.067 ( -3.249 2.912 -2.513) 5.035 5.143 ( -8.839 -3.324 0.386) 9.451 5.557 ( -2.384 8.050 -0.850) 8.438 5.688 ( -3.482 -4.201 0.517) 5.480 5.751 ( 2.103 2.505 1.164) 3.471 5.821 ( 1.360 -3.728 -0.068) 3.969 6.205 ( 1.572 2.756 -3.317) 4.590 6.274 ( 0.770 -3.583 -2.492) 4.432 6.977 ( 3.991 7.532 0.437) 8.535 7.062 ( 4.867 1.630 -2.899) 5.894 7.112 ( 1.316 1.210 -2.672) 3.215 7.165 ( -2.356 -5.940 0.505) 6.410 7.246 ( -2.821 0.770 -1.869) 3.470 7.268 ( -4.046 -1.325 0.157) 4.260 7.467 ( -4.452 6.725 -5.220) 9.607 7.580 ( -4.698 -2.315 -7.457) 9.113 7.620 ( -2.377 0.784 0.513) 2.555 7.640 ( -5.470 2.633 -0.522) 6.093 7.761 ( -0.753 -1.930 1.240) 2.415 7.854 ( -7.298 -5.869 -4.716) 10.485 7.917 ( -0.584 -0.352 1.724) 1.854 8.015 ( -0.366 -8.440 2.955) 8.950 8.239 ( 2.792 1.163 0.621) 3.087 8.282 ( 1.413 -3.562 4.329) 5.782 8.378 ( -0.018 -0.800 3.509) 3.599 8.397 ( -0.142 2.688 4.982) 5.663 8.489 ( 1.925 6.980 1.403) 7.375 8.778 ( 0.309 -12.278 9.580) 15.576 8.973 ( -7.791 3.190 2.935) 8.916 8.980 ( -5.318 3.024 2.925) 6.781 9.052 ( -6.582 9.580 5.503) 12.860 9.194 ( -4.495 -3.398 2.792) 6.288 9.384 ( 13.226 -0.299 -3.193) 13.609 9.523 ( 4.987 -11.352 -7.525) 14.504 10.020 ( -0.832 7.851 -9.055) 12.013 10.131 ( 0.316 -2.552 -15.215) 15.430 10.464 ( 3.497 5.236 1.464) 6.465 10.531 ( 5.409 -2.772 2.423) 6.543 10.833 ( -3.516 8.306 7.266) 11.582 11.018 ( -8.647 -5.947 -0.401) 10.503 11.356 ( 8.860 2.386 4.626) 10.276 11.435 ( 3.218 -1.928 3.078) 4.852 11.800 ( 1.180 6.831 0.451) 6.946 11.913 ( 4.508 -3.561 -1.246) 5.879 12.055 ( 2.198 15.745 -2.429) 16.082 12.190 ( 0.080 0.005 -1.504) 1.506 12.276 ( -5.119 -3.101 0.163) 5.987 12.444 ( 0.819 -15.043 0.275) 15.068 13.061 ( -0.816 0.405 -0.523) 1.050 13.099 ( 1.760 -3.931 4.054) 5.915 13.374 ( 5.650 4.844 0.588) 7.465 13.489 ( 4.702 -4.545 -2.396) 6.965 13.976 ( 0.479 5.228 2.822) 5.961 14.077 ( -3.790 -2.745 -0.439) 4.700 14.374 ( -5.745 5.482 -0.281) 7.946 14.483 ( -12.192 -2.933 -6.460) 14.106 14.689 ( 10.127 -1.061 -8.249) 13.104 14.722 ( 9.682 -3.865 -2.878) 10.815 14.922 ( -1.468 3.167 1.319) 3.731 15.053 ( 1.184 -7.868 0.400) 7.967 17.113 ( -1.547 1.362 8.913) 9.149 17.150 ( -1.425 -2.163 9.253) 9.609 17.813 ( -2.064 1.832 -3.158) 4.194 17.839 ( -2.112 -0.250 -2.939) 3.627 18.908 ( -3.944 1.605 4.331) 6.074 18.922 ( -3.727 -0.136 4.399) 5.768 19.251 ( -2.658 -0.809 -2.644) 3.836 19.292 ( -2.853 -4.070 -3.446) 6.048 21.639 ( -5.688 3.251 0.538) 6.574 21.711 ( -6.113 -3.423 0.520) 7.025 22.165 ( -9.789 2.212 0.075) 10.036 22.187 ( -9.781 0.070 -0.218) 9.784 22.979 ( 12.316 0.168 3.490) 12.802 22.994 ( 10.573 -1.471 2.969) 11.080 23.676 ( 10.200 4.309 -4.887) 12.103 23.757 ( 8.914 -3.250 -7.120) 11.862 ======================= Grid point 73 (41/72) ======================= q-point: ( 0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.032 ( 9.617 9.155 -2.040) 13.433 2.160 ( -4.384 1.525 -2.445) 5.246 2.204 ( -4.309 0.749 -4.862) 6.540 2.269 ( -4.961 -0.459 -4.343) 6.609 2.316 ( 9.271 5.572 10.745) 15.246 2.484 ( 2.475 -2.227 6.076) 6.929 2.598 ( -5.519 -1.597 2.510) 6.269 2.628 ( -2.778 -1.354 0.103) 3.092 2.726 ( -1.084 5.823 3.872) 7.076 2.840 ( -0.769 -0.095 3.252) 3.343 2.965 ( 1.596 -4.972 1.208) 5.360 3.054 ( 3.262 0.079 -1.439) 3.566 3.092 ( 0.196 -3.912 -0.725) 3.983 3.150 ( -2.396 -4.532 1.322) 5.294 3.241 ( -2.129 2.549 -4.826) 5.858 3.294 ( 1.844 1.630 -5.487) 6.013 3.381 ( 4.343 2.252 -4.696) 6.781 3.453 ( 5.541 -6.195 -6.363) 10.467 3.608 ( 2.915 -0.193 -5.269) 6.025 3.671 ( -2.439 -3.654 -3.150) 5.406 3.866 ( 4.879 5.322 3.264) 7.923 3.963 ( 0.558 -3.234 3.334) 4.679 4.031 ( 1.107 3.524 -2.447) 4.431 4.112 ( -0.975 -4.654 -0.328) 4.766 4.200 ( -2.913 3.407 7.614) 8.835 4.262 ( 3.366 -1.806 9.592) 10.325 4.503 ( 2.663 1.387 -4.912) 5.757 4.528 ( 3.414 -1.124 -5.247) 6.360 4.580 ( 0.544 1.390 2.901) 3.263 4.646 ( -0.131 -4.502 2.169) 4.999 4.876 ( 0.883 2.957 0.955) 3.230 4.937 ( -5.873 -0.798 2.898) 6.598 5.008 ( -0.024 2.835 3.135) 4.227 5.041 ( -0.311 -0.187 5.279) 5.291 5.504 ( -2.513 4.880 -0.820) 5.550 5.609 ( -3.970 -4.745 -1.138) 6.291 5.789 ( 1.215 2.287 1.175) 2.844 5.839 ( 0.261 -2.435 0.111) 2.452 6.248 ( 2.840 2.997 -3.546) 5.442 6.301 ( 1.821 -1.927 -2.877) 3.912 7.065 ( 4.903 5.407 -0.318) 7.306 7.098 ( -2.313 3.696 -2.461) 5.007 7.132 ( -1.023 3.561 -1.039) 3.848 7.144 ( -0.856 -2.746 -1.348) 3.177 7.187 ( -1.315 -1.503 -3.363) 3.911 7.226 ( 0.305 -2.921 -2.011) 3.560 7.365 ( -3.366 3.201 -5.775) 7.412 7.457 ( -4.600 -2.614 -9.693) 11.043 7.556 ( -1.876 2.205 0.350) 2.916 7.619 ( 2.209 2.804 -0.937) 3.691 7.661 ( -8.052 -1.560 -5.144) 9.682 7.792 ( 1.880 -7.707 -0.296) 7.938 8.003 ( 5.016 -1.327 4.509) 6.874 8.048 ( 1.927 -5.271 5.884) 8.131 8.299 ( 2.978 0.605 1.278) 3.297 8.341 ( -1.393 -0.081 6.817) 6.958 8.381 ( 5.594 0.896 4.559) 7.272 8.405 ( 1.080 1.470 3.922) 4.325 8.499 ( -1.007 -0.048 -0.313) 1.055 8.685 ( -9.163 -9.319 6.003) 14.382 8.762 ( -9.159 5.209 3.238) 11.023 8.832 ( -6.780 -0.669 5.581) 8.807 9.071 ( 3.190 1.332 7.772) 8.506 9.129 ( -2.675 -3.519 3.095) 5.397 9.597 ( 7.425 0.749 -4.942) 8.951 9.650 ( 5.211 -4.176 -5.428) 8.606 10.022 ( 2.448 7.247 -13.362) 15.397 10.117 ( -0.529 -1.290 -19.876) 19.925 10.548 ( 4.301 4.842 5.893) 8.756 10.654 ( 5.936 -6.077 4.157) 9.458 10.790 ( -1.365 3.805 5.105) 6.511 10.868 ( -5.431 -4.305 4.166) 8.086 11.448 ( -1.732 3.893 1.587) 4.547 11.494 ( 5.720 -1.978 3.299) 6.893 11.730 ( -5.839 8.031 4.315) 10.826 11.855 ( -10.003 0.230 14.539) 17.649 12.091 ( 4.139 5.236 -4.557) 8.082 12.230 ( 0.228 1.887 -6.699) 6.964 12.270 ( 3.244 1.008 -4.848) 5.920 12.441 ( -0.823 -17.879 -5.140) 18.622 13.071 ( 2.315 6.172 4.519) 7.992 13.202 ( 5.744 -6.023 6.560) 10.597 13.503 ( 5.755 7.173 0.273) 9.200 13.639 ( 9.485 -4.065 -2.888) 10.716 13.948 ( -8.408 3.704 -2.348) 9.483 14.011 ( 2.559 -1.565 -1.403) 3.312 14.176 ( -10.601 1.531 -4.320) 11.549 14.242 ( -8.706 -6.331 -3.970) 11.474 14.775 ( 1.060 0.170 -2.137) 2.391 14.806 ( -2.910 -2.809 -1.698) 4.386 15.024 ( 8.176 2.301 -3.671) 9.253 15.107 ( 3.715 -5.471 -2.186) 6.965 17.100 ( -0.234 1.609 10.260) 10.388 17.137 ( -0.237 -2.005 10.048) 10.249 17.774 ( -1.540 2.145 -3.844) 4.664 17.797 ( -1.802 0.204 -3.889) 4.291 18.855 ( -1.441 1.991 3.912) 4.620 18.879 ( -0.815 -0.329 5.334) 5.406 19.207 ( -1.595 0.017 -3.126) 3.510 19.249 ( -1.107 -3.450 -3.440) 4.996 21.576 ( -0.862 1.110 0.376) 1.455 21.614 ( -3.645 -2.412 0.181) 4.374 22.029 ( -3.444 1.450 0.119) 3.739 22.045 ( -4.424 -0.036 0.081) 4.425 23.143 ( 3.959 -0.202 3.847) 5.524 23.148 ( 4.552 -0.660 4.389) 6.358 23.825 ( 4.738 2.562 -5.863) 7.962 23.874 ( 3.255 -2.015 -6.826) 7.826 ======================= Grid point 74 (42/72) ======================= q-point: (-0.43 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( -8.848 11.670 -1.648) 14.737 2.139 ( -4.081 -3.345 -2.178) 5.708 2.259 ( 9.912 1.696 -3.773) 10.740 2.294 ( 5.903 -0.806 -3.476) 6.898 2.373 ( -8.905 7.521 5.936) 13.080 2.525 ( 6.246 4.245 5.238) 9.191 2.535 ( -1.873 -4.546 7.109) 8.644 2.633 ( 4.254 -1.908 1.679) 4.955 2.737 ( 1.929 0.149 2.228) 2.951 2.845 ( 0.485 -2.585 3.152) 4.105 2.953 ( -2.414 1.786 2.426) 3.860 3.053 ( -0.550 1.450 -4.819) 5.063 3.089 ( -1.552 -2.654 2.698) 4.090 3.137 ( 1.282 -8.585 -1.621) 8.831 3.216 ( -0.970 5.515 -5.240) 7.669 3.309 ( -0.090 2.315 -6.954) 7.330 3.440 ( -0.546 -0.100 -2.142) 2.213 3.483 ( -1.842 -8.023 -5.003) 9.633 3.603 ( -2.714 1.836 -4.336) 5.435 3.662 ( 2.688 -4.139 -5.093) 7.092 3.888 ( -5.927 1.061 0.495) 6.041 3.937 ( -4.809 -2.538 -0.364) 5.450 4.011 ( -4.143 5.424 5.931) 9.043 4.086 ( -2.151 3.078 1.454) 4.027 4.142 ( -8.712 -3.408 2.480) 9.678 4.160 ( 3.285 -5.083 2.803) 6.670 4.517 ( -4.752 2.977 1.583) 5.827 4.541 ( -3.341 0.490 -0.032) 3.377 4.606 ( 4.241 1.856 1.218) 4.787 4.718 ( 2.824 -7.118 1.404) 7.786 4.904 ( 4.226 5.297 -0.541) 6.798 4.941 ( -0.153 4.415 3.803) 5.829 5.015 ( 5.651 -0.724 0.114) 5.699 5.061 ( 2.385 -1.791 7.484) 8.057 5.467 ( -1.103 3.617 -0.315) 3.794 5.568 ( -0.390 -4.992 -1.518) 5.232 5.793 ( -0.462 2.013 -0.050) 2.066 5.829 ( -1.116 -1.575 -0.468) 1.986 6.293 ( 1.228 2.470 -2.349) 3.624 6.328 ( 0.767 -1.054 -1.932) 2.330 7.009 ( -4.955 3.371 -2.060) 6.337 7.057 ( -3.205 0.023 -0.946) 3.342 7.090 ( -1.539 3.532 -1.289) 4.063 7.159 ( -0.440 -0.785 -2.154) 2.335 7.203 ( 3.324 1.599 -1.094) 3.847 7.320 ( 7.343 1.702 -7.654) 10.743 7.369 ( 3.658 -2.040 -3.188) 5.263 7.429 ( 0.989 -3.565 -8.351) 9.134 7.550 ( -0.041 2.964 -4.253) 5.184 7.593 ( 3.423 -2.543 2.246) 4.820 7.709 ( 4.980 3.339 -1.676) 6.226 7.811 ( 0.657 -4.304 -2.926) 5.246 8.019 ( -3.147 1.755 7.718) 8.518 8.101 ( 3.444 -3.901 6.629) 8.427 8.279 ( -4.261 0.319 2.786) 5.101 8.295 ( -4.245 -0.415 2.029) 4.723 8.406 ( -1.502 -2.333 4.003) 4.870 8.462 ( -0.117 -7.007 6.924) 9.851 8.518 ( 0.385 -0.304 3.258) 3.294 8.557 ( 0.995 -2.518 -3.683) 4.572 8.714 ( 3.352 4.800 5.173) 7.812 8.787 ( 4.299 0.845 5.182) 6.786 9.067 ( -2.481 0.258 3.382) 4.202 9.133 ( 1.623 -7.062 7.016) 10.086 9.633 ( -3.683 1.640 -4.996) 6.419 9.652 ( -4.227 0.605 -3.681) 5.638 10.107 ( 3.693 3.645 -17.691) 18.436 10.134 ( 4.771 3.103 -15.059) 16.099 10.603 ( -0.358 1.135 11.579) 11.640 10.662 ( -3.992 -3.288 5.253) 7.372 10.761 ( 0.719 3.564 2.828) 4.607 10.918 ( 7.020 -8.374 -0.042) 10.927 11.375 ( -5.427 7.557 1.831) 9.482 11.538 ( -3.386 -5.141 1.335) 6.299 11.666 ( -0.378 8.104 6.402) 10.334 11.730 ( 0.210 0.789 12.290) 12.317 12.113 ( -2.499 3.315 -3.679) 5.547 12.195 ( -0.950 1.505 -8.402) 8.588 12.304 ( -1.611 1.425 -6.349) 6.703 12.464 ( 3.416 -15.827 -1.469) 16.258 13.090 ( -1.200 8.281 5.879) 10.227 13.269 ( 0.558 -8.264 8.693) 12.007 13.489 ( -7.464 8.353 -1.119) 11.257 13.623 ( -11.197 -3.038 -3.105) 12.010 13.963 ( 10.337 2.837 -2.497) 11.006 13.979 ( -1.406 1.603 -4.806) 5.258 14.202 ( 7.624 -2.385 -1.522) 8.132 14.240 ( 10.279 -6.756 -3.814) 12.878 14.674 ( -8.455 2.465 -2.792) 9.239 14.762 ( -3.959 -5.908 -4.133) 8.225 15.077 ( -1.334 3.791 -1.561) 4.311 15.176 ( 1.675 -5.144 -1.911) 5.738 17.102 ( 0.218 1.560 10.651) 10.766 17.139 ( 0.032 -1.889 10.090) 10.265 17.766 ( 0.849 1.757 -4.077) 4.520 17.783 ( 0.529 0.183 -4.375) 4.411 18.857 ( 1.509 2.742 4.576) 5.544 18.893 ( 2.089 -0.604 5.171) 5.610 19.196 ( 0.661 0.820 -3.606) 3.757 19.255 ( 1.763 -4.403 -3.248) 5.749 21.574 ( 0.706 1.185 0.335) 1.419 21.614 ( 3.613 -2.511 0.179) 4.404 22.033 ( 3.837 1.400 0.204) 4.090 22.048 ( 4.775 0.031 0.147) 4.778 23.130 ( -5.432 0.352 3.751) 6.610 23.145 ( -4.929 -1.136 3.971) 6.431 23.829 ( -4.194 2.784 -5.740) 7.634 23.883 ( -2.272 -2.331 -6.514) 7.282 ======================= Grid point 75 (43/72) ======================= q-point: (-0.29 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.840 ( -2.888 17.110 3.690) 17.740 2.077 ( -4.423 6.752 5.433) 9.730 2.176 ( -5.206 -1.144 6.331) 8.276 2.351 ( -2.565 -4.193 5.709) 7.534 2.472 ( 8.266 1.789 -7.007) 10.983 2.524 ( 5.995 -3.226 -4.727) 8.288 2.645 ( 0.862 1.143 -1.687) 2.213 2.668 ( -0.279 0.241 0.874) 0.949 2.792 ( -2.335 -2.773 1.698) 4.003 2.799 ( 3.237 -3.724 1.489) 5.154 2.970 ( 2.935 5.553 2.600) 6.798 3.067 ( 2.251 1.296 -1.515) 3.007 3.091 ( 1.453 2.540 -0.108) 2.928 3.155 ( 0.894 -8.241 -1.658) 8.454 3.188 ( -1.852 4.540 -1.043) 5.013 3.295 ( -1.370 1.180 -7.084) 7.311 3.356 ( -4.814 -1.800 -1.361) 5.317 3.432 ( -5.364 -5.218 -4.019) 8.494 3.555 ( -3.400 8.931 -1.639) 9.695 3.687 ( -11.082 2.013 -2.448) 11.526 3.689 ( -0.033 -4.808 -2.202) 5.288 3.766 ( -9.753 -0.545 1.273) 9.851 3.861 ( -13.303 -2.681 3.174) 13.937 3.927 ( -4.093 -7.729 0.649) 8.769 4.171 ( 1.166 2.187 2.757) 3.707 4.244 ( -0.426 -4.324 4.467) 6.231 4.408 ( -3.127 5.358 -3.537) 7.141 4.484 ( -1.001 -0.337 -0.666) 1.248 4.656 ( -0.135 0.882 1.766) 1.978 4.741 ( 1.360 -4.213 -1.417) 4.648 4.891 ( 1.003 5.627 5.620) 8.016 5.010 ( 2.725 -0.707 9.058) 9.486 5.120 ( 5.376 -0.822 -1.147) 5.558 5.192 ( 6.754 -4.137 -0.954) 7.978 5.475 ( 1.818 5.477 0.567) 5.799 5.575 ( 1.490 -3.461 -1.009) 3.900 5.782 ( -0.704 1.262 0.199) 1.459 5.810 ( -0.550 -1.579 -1.676) 2.367 6.283 ( -1.916 1.658 -1.286) 2.842 6.324 ( -0.917 -2.278 -1.232) 2.748 6.954 ( -1.319 4.610 -1.097) 4.919 7.027 ( -0.893 -0.072 0.765) 1.178 7.050 ( -1.618 2.870 -3.256) 4.632 7.142 ( -0.999 -3.883 -1.081) 4.153 7.259 ( 1.954 7.358 -0.082) 7.613 7.394 ( 3.695 3.380 -6.873) 8.504 7.456 ( 1.868 -6.310 -4.700) 8.086 7.502 ( 6.668 -2.879 -1.310) 7.380 7.643 ( 7.742 3.725 -6.524) 10.788 7.686 ( 5.128 -5.035 4.603) 8.535 7.718 ( -2.458 2.131 0.146) 3.256 7.880 ( 4.660 -7.399 -5.544) 10.354 7.958 ( -2.054 8.436 8.255) 11.980 8.149 ( 0.132 -3.097 2.305) 3.863 8.213 ( 0.902 0.968 1.340) 1.883 8.266 ( 1.079 -1.671 0.983) 2.218 8.320 ( -5.032 -1.774 5.861) 7.926 8.404 ( -4.854 -3.304 -1.024) 5.960 8.551 ( 2.754 -1.794 4.125) 5.275 8.607 ( 2.858 -6.875 3.093) 8.062 8.876 ( 10.721 8.602 4.280) 14.396 8.929 ( 6.500 5.208 1.990) 8.563 9.033 ( -0.123 -0.371 1.701) 1.745 9.167 ( 2.728 -12.060 7.289) 14.353 9.468 ( -10.940 5.345 -1.574) 12.277 9.554 ( -5.441 -1.395 -5.226) 7.673 10.126 ( -0.088 6.475 -12.898) 14.433 10.248 ( 3.789 -3.835 -15.969) 16.855 10.496 ( -5.814 9.332 10.411) 15.142 10.669 ( 1.919 -4.266 15.183) 15.887 10.779 ( 0.603 4.257 -3.069) 5.282 10.995 ( -1.825 -12.842 -7.348) 14.908 11.288 ( -1.786 9.753 4.126) 10.740 11.440 ( -4.822 -2.650 3.772) 6.671 11.676 ( 0.752 9.827 2.113) 10.080 11.805 ( 3.290 -4.070 4.473) 6.884 12.053 ( -3.104 4.001 -7.698) 9.214 12.165 ( -4.519 -4.217 -10.670) 12.331 12.263 ( 2.104 8.012 3.885) 9.150 12.518 ( 1.355 -15.292 3.477) 15.741 13.065 ( -0.160 7.639 3.492) 8.401 13.237 ( -3.238 -8.333 4.644) 10.075 13.329 ( -6.206 4.525 -0.924) 7.736 13.430 ( -7.284 -3.495 -3.967) 9.001 14.006 ( 3.912 7.186 2.456) 8.543 14.149 ( 6.877 -2.482 1.632) 7.491 14.347 ( 4.060 4.176 -1.601) 6.041 14.463 ( 6.427 -3.617 -5.766) 9.361 14.515 ( -5.836 1.303 -7.501) 9.593 14.637 ( -5.891 -10.203 -5.641) 13.062 15.036 ( -1.468 4.632 1.270) 5.022 15.153 ( -2.797 -5.873 0.592) 6.532 17.121 ( 1.672 0.839 9.744) 9.922 17.148 ( 0.820 -1.600 9.138) 9.313 17.798 ( 2.189 1.083 -3.673) 4.411 17.808 ( 1.973 -0.149 -3.780) 4.266 18.912 ( 3.882 3.249 5.063) 7.160 18.954 ( 3.886 -0.723 4.778) 6.201 19.229 ( 2.620 0.629 -3.614) 4.508 19.303 ( 2.889 -5.961 -3.137) 7.329 21.635 ( 5.584 3.473 0.452) 6.591 21.712 ( 6.300 -3.726 0.543) 7.339 22.176 ( 10.169 2.216 0.311) 10.413 22.198 ( 10.283 0.144 0.005) 10.284 22.948 ( -13.032 1.068 2.611) 13.333 22.979 ( -11.560 -2.100 2.499) 12.012 23.687 ( -9.798 4.643 -4.551) 11.759 23.777 ( -8.405 -3.902 -6.435) 11.282 ======================= Grid point 76 (44/72) ======================= q-point: (-0.14 0.43 0.20) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.818 ( -1.276 19.170 11.495) 22.389 1.969 ( -3.528 19.928 9.087) 22.184 2.172 ( 0.743 -12.731 7.492) 14.791 2.303 ( -0.550 -8.996 5.461) 10.538 2.553 ( 0.219 2.969 -6.763) 7.389 2.592 ( -3.067 2.103 -1.996) 4.221 2.635 ( 4.063 -1.122 -7.771) 8.840 2.665 ( 1.897 -0.824 -2.277) 3.076 2.820 ( 2.834 1.886 -0.425) 3.431 2.865 ( 3.091 -2.155 -0.840) 3.861 3.022 ( 3.051 4.674 -2.897) 6.289 3.052 ( -5.708 10.091 4.767) 12.535 3.079 ( -4.458 4.199 -4.024) 7.328 3.161 ( -4.244 -3.204 2.837) 6.027 3.196 ( 3.025 -4.063 -5.350) 7.368 3.231 ( -1.446 -2.937 -0.098) 3.276 3.303 ( -0.834 4.185 -7.104) 8.287 3.334 ( -0.352 2.471 0.869) 2.643 3.468 ( -4.665 -1.648 -1.856) 5.284 3.543 ( -6.249 -1.909 0.673) 6.569 3.615 ( -3.202 -4.308 -1.459) 5.563 3.625 ( -7.205 -1.481 -1.060) 7.432 3.732 ( 0.724 -0.815 2.532) 2.757 3.880 ( -0.132 -8.203 -0.073) 8.205 4.092 ( -7.448 2.905 8.124) 11.397 4.180 ( -3.680 -3.193 -0.811) 4.939 4.361 ( -3.396 -0.993 0.366) 3.557 4.440 ( -3.312 -5.007 -0.770) 6.052 4.717 ( 5.423 3.212 -3.639) 7.278 4.791 ( 3.314 -1.852 -2.094) 4.336 4.958 ( 5.255 6.287 4.348) 9.276 5.067 ( 2.474 -0.785 10.060) 10.389 5.171 ( -0.279 -2.776 -2.020) 3.444 5.245 ( -0.509 -6.207 -2.011) 6.544 5.525 ( 2.674 7.894 -0.260) 8.338 5.639 ( 4.339 -2.456 -0.654) 5.028 5.769 ( -0.442 0.660 1.529) 1.723 5.802 ( -0.420 -2.425 -1.135) 2.710 6.237 ( -2.424 1.732 -0.621) 3.044 6.304 ( -1.017 -4.345 -1.033) 4.580 6.910 ( -3.274 5.716 -2.286) 6.972 6.994 ( -2.127 1.348 -1.754) 3.069 7.055 ( 1.322 -0.406 -1.437) 1.994 7.146 ( 2.021 -5.193 1.504) 5.772 7.298 ( 2.696 7.343 1.798) 8.026 7.444 ( 1.126 -2.570 -4.337) 5.165 7.478 ( -0.959 0.562 -0.159) 1.123 7.603 ( 2.333 -4.810 -2.815) 6.042 7.679 ( 0.684 0.283 4.075) 4.141 7.747 ( 2.429 0.942 4.534) 5.229 7.793 ( 5.723 0.567 -2.160) 6.143 7.913 ( -1.475 -0.823 1.688) 2.388 7.976 ( 4.759 4.054 -3.433) 7.132 8.143 ( -1.320 -6.300 -0.461) 6.454 8.187 ( -0.923 5.747 -1.304) 5.965 8.291 ( -3.322 -5.290 -0.952) 6.319 8.342 ( 3.212 1.385 -1.158) 3.684 8.395 ( 9.152 -2.078 0.782) 9.417 8.573 ( -2.893 -0.535 1.048) 3.123 8.632 ( 0.642 -6.301 5.208) 8.200 8.986 ( 0.419 4.797 3.191) 5.777 9.010 ( 3.020 4.361 8.340) 9.884 9.080 ( 0.377 0.129 2.946) 2.973 9.193 ( -2.708 -5.936 6.823) 9.440 9.346 ( 2.813 9.257 -2.422) 9.973 9.525 ( 4.869 -6.419 -7.407) 10.944 10.100 ( -2.451 5.258 -9.303) 10.964 10.173 ( -8.757 -1.322 -8.205) 12.073 10.505 ( 3.740 8.556 4.534) 10.380 10.704 ( -0.550 -7.127 18.077) 19.439 10.781 ( -1.569 2.344 -10.032) 10.421 10.854 ( -5.843 -2.056 -2.790) 6.794 11.291 ( -0.209 6.518 0.673) 6.556 11.394 ( -0.551 -2.558 1.064) 2.825 11.678 ( 0.144 10.344 0.106) 10.345 11.812 ( -1.573 -1.067 0.021) 1.901 11.969 ( -5.553 0.445 -9.160) 10.721 12.035 ( -6.958 -3.250 -7.403) 10.667 12.402 ( 8.895 2.768 2.940) 9.769 12.554 ( 3.367 -11.128 7.118) 13.632 13.088 ( 1.535 7.566 0.334) 7.727 13.184 ( -0.841 0.595 -1.390) 1.730 13.303 ( 2.331 -4.188 0.232) 4.799 13.367 ( 1.013 -6.750 -2.973) 7.445 14.070 ( -1.528 10.079 4.329) 11.075 14.156 ( -5.390 3.620 4.449) 7.871 14.263 ( -9.844 5.309 -6.199) 12.787 14.408 ( 3.296 -9.267 -4.293) 10.732 14.492 ( -2.772 -0.125 1.200) 3.023 14.629 ( -1.712 -11.259 -0.065) 11.389 15.067 ( 4.032 2.621 -1.720) 5.107 15.132 ( 1.166 -3.077 -1.663) 3.687 17.163 ( 2.022 -0.237 8.291) 8.538 17.170 ( 1.096 -0.891 8.809) 8.921 17.832 ( 1.420 0.855 -3.183) 3.589 17.850 ( 2.174 -1.187 -2.581) 3.577 18.990 ( 3.468 3.409 5.148) 7.082 19.029 ( 3.252 -0.279 4.028) 5.184 19.283 ( 2.817 -0.933 -3.215) 4.375 19.351 ( 1.901 -7.006 -3.092) 7.891 21.769 ( 7.501 3.714 1.080) 8.440 21.841 ( 6.560 -3.001 1.196) 7.313 22.358 ( 7.097 4.213 0.629) 8.277 22.415 ( 10.339 -1.029 0.521) 10.403 22.675 ( -13.667 3.444 0.118) 14.095 22.766 ( -8.204 -5.152 -0.450) 9.698 23.485 ( -10.119 5.998 -3.014) 12.143 23.587 ( -9.927 -3.543 -5.890) 12.074 ======================= Grid point 98 (45/72) ======================= q-point: ( 0.00 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.060 ( 0.784 0.000 26.377) 26.389 1.238 ( -6.245 0.000 27.431) 28.133 1.613 ( -0.464 0.000 -23.748) 23.753 1.802 ( 5.617 0.000 -24.081) 24.728 1.955 ( 5.021 0.000 39.716) 40.032 2.429 ( -0.908 0.000 1.484) 1.740 2.466 ( -4.195 0.000 -6.712) 7.915 2.594 ( 2.657 0.000 -14.302) 14.547 2.883 ( 2.580 0.000 2.609) 3.669 2.954 ( -6.985 0.000 -3.058) 7.625 3.022 ( -1.240 0.000 6.646) 6.761 3.043 ( 1.369 0.000 -0.255) 1.393 3.076 ( -3.456 0.000 4.564) 5.724 3.136 ( 6.553 0.000 2.419) 6.985 3.242 ( -2.804 0.000 -11.360) 11.701 3.292 ( 0.403 0.000 -11.210) 11.217 3.505 ( -3.303 0.000 2.620) 4.216 3.551 ( 6.345 0.000 3.478) 7.236 3.561 ( -2.599 0.000 -0.702) 2.692 3.585 ( 2.446 0.000 -1.831) 3.055 3.646 ( -5.099 0.000 2.497) 5.678 3.707 ( -5.139 0.000 -1.337) 5.310 3.951 ( 10.455 0.000 -4.832) 11.518 3.970 ( -1.866 0.000 -6.327) 6.596 4.041 ( 3.154 0.000 2.376) 3.949 4.098 ( -3.280 0.000 -1.352) 3.547 4.502 ( -1.010 0.000 4.802) 4.907 4.509 ( -0.801 0.000 3.455) 3.546 4.666 ( -1.996 0.000 -1.850) 2.722 4.690 ( 2.368 0.000 -4.174) 4.799 5.003 ( 4.914 0.000 7.195) 8.713 5.143 ( -3.795 0.000 -1.328) 4.021 5.203 ( 1.983 0.000 3.765) 4.256 5.387 ( -4.095 0.000 -8.874) 9.773 5.570 ( -3.411 0.000 3.816) 5.118 5.612 ( 4.338 0.000 -0.934) 4.438 6.179 ( -0.254 0.000 7.238) 7.243 6.221 ( -3.584 0.000 5.080) 6.217 6.254 ( 0.946 0.000 0.259) 0.981 6.327 ( 4.627 0.000 -4.829) 6.688 6.775 ( 6.202 0.000 0.084) 6.202 6.802 ( -7.738 0.000 -2.980) 8.292 6.911 ( -6.015 0.000 11.761) 13.210 7.114 ( 7.848 0.000 -6.874) 10.433 7.369 ( -3.077 0.000 0.404) 3.104 7.371 ( 1.720 0.000 -0.411) 1.768 7.580 ( 2.165 0.000 2.343) 3.190 7.632 ( -15.334 0.000 0.215) 15.336 7.672 ( 5.352 0.000 -3.665) 6.487 7.709 ( 5.887 0.000 -3.714) 6.960 7.838 ( 7.436 0.000 -2.362) 7.802 7.841 ( -5.126 0.000 -2.467) 5.688 7.930 ( -2.227 0.000 0.920) 2.410 7.933 ( 2.427 0.000 1.359) 2.782 8.299 ( 2.382 0.000 16.432) 16.604 8.476 ( -5.894 0.000 7.186) 9.294 8.604 ( -5.315 0.000 2.668) 5.947 8.652 ( 2.467 0.000 -3.165) 4.013 8.692 ( -2.980 0.000 -15.261) 15.550 8.712 ( 0.689 0.000 -4.352) 4.406 9.007 ( 5.432 0.000 5.745) 7.906 9.025 ( -2.544 0.000 4.893) 5.515 9.188 ( 1.873 0.000 0.885) 2.071 9.236 ( -1.479 0.000 1.740) 2.284 9.377 ( -3.122 0.000 2.042) 3.730 9.432 ( 12.492 0.000 6.804) 14.225 9.540 ( 2.636 0.000 -9.144) 9.516 9.649 ( -9.824 0.000 -14.757) 17.728 10.089 ( 6.977 0.000 4.473) 8.287 10.215 ( -8.008 0.000 -9.023) 12.064 11.016 ( -0.582 0.000 10.247) 10.264 11.030 ( 2.262 0.000 13.727) 13.912 11.268 ( -4.218 0.000 15.663) 16.221 11.320 ( -0.201 0.000 -8.157) 8.160 11.411 ( 2.030 0.000 -13.431) 13.583 11.619 ( -0.451 0.000 1.180) 1.263 11.669 ( 7.955 0.000 -6.979) 10.583 11.940 ( -5.763 0.000 -12.839) 14.074 12.425 ( 1.870 0.000 13.594) 13.722 12.666 ( 1.248 0.000 -9.158) 9.243 13.148 ( -4.851 0.000 4.050) 6.320 13.253 ( 6.500 0.000 -5.508) 8.520 13.442 ( -0.143 0.000 6.046) 6.047 13.597 ( 3.326 0.000 -9.192) 9.775 13.697 ( 1.700 0.000 8.778) 8.941 13.832 ( -3.344 0.000 -4.022) 5.230 14.276 ( -3.932 0.000 -1.406) 4.176 14.279 ( 0.988 0.000 -1.339) 1.664 14.803 ( 4.675 0.000 8.721) 9.896 14.943 ( -3.726 0.000 -5.172) 6.374 15.193 ( -4.373 0.000 8.663) 9.704 15.385 ( 4.231 0.000 -9.659) 10.545 17.379 ( -1.668 0.000 8.502) 8.664 17.532 ( 1.108 0.000 -6.401) 6.496 17.795 ( 2.076 0.000 8.429) 8.681 17.951 ( -1.483 0.000 -6.169) 6.345 19.116 ( -1.475 0.000 8.487) 8.614 19.321 ( 1.674 0.000 -11.509) 11.630 20.199 ( -2.899 0.000 7.490) 8.032 20.330 ( 4.787 0.000 -5.419) 7.231 21.690 ( -2.308 0.000 0.644) 2.396 21.707 ( 3.662 0.000 -1.070) 3.815 22.054 ( 1.302 0.000 3.771) 3.989 22.128 ( -1.426 0.000 -3.320) 3.614 22.525 ( -9.341 0.000 0.616) 9.362 22.530 ( 7.147 0.000 0.217) 7.150 22.987 ( -1.836 0.000 2.308) 2.949 23.050 ( 1.379 0.000 -3.551) 3.809 ======================= Grid point 99 (46/72) ======================= q-point: ( 0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.208 ( 6.000 0.000 24.588) 25.310 1.223 ( 14.328 0.000 22.477) 26.655 1.667 ( 6.546 0.000 -21.940) 22.896 1.867 ( 0.902 0.000 -26.218) 26.234 2.284 ( 21.009 0.000 28.325) 35.266 2.378 ( -2.481 0.000 -4.383) 5.037 2.431 ( 0.954 0.000 0.863) 1.286 2.709 ( 5.033 0.000 -6.261) 8.033 2.791 ( -7.395 0.000 2.269) 7.735 2.944 ( 3.019 0.000 4.533) 5.446 2.998 ( -4.391 0.000 7.168) 8.406 3.042 ( 3.660 0.000 1.963) 4.153 3.103 ( 4.678 0.000 -2.068) 5.114 3.234 ( 2.455 0.000 -10.894) 11.167 3.249 ( 4.778 0.000 4.285) 6.418 3.305 ( 1.423 0.000 -10.930) 11.022 3.414 ( -6.244 0.000 0.418) 6.258 3.435 ( -4.865 0.000 2.017) 5.266 3.477 ( -6.430 0.000 -0.513) 6.450 3.590 ( 0.351 0.000 -3.981) 3.996 3.724 ( 2.791 0.000 -0.798) 2.903 3.744 ( 9.289 0.000 8.676) 12.711 3.944 ( -0.844 0.000 -8.796) 8.836 4.065 ( 0.455 0.000 -2.356) 2.399 4.176 ( 8.889 0.000 0.904) 8.935 4.217 ( 14.234 0.000 -5.747) 15.351 4.470 ( -2.788 0.000 5.541) 6.203 4.485 ( -0.842 0.000 3.052) 3.166 4.625 ( -1.573 0.000 -1.935) 2.493 4.706 ( -0.226 0.000 -2.525) 2.535 5.024 ( -7.744 0.000 -4.746) 9.082 5.059 ( 0.372 0.000 5.654) 5.666 5.201 ( -1.964 0.000 9.771) 9.967 5.274 ( -6.957 0.000 -6.001) 9.187 5.450 ( -9.383 0.000 3.141) 9.895 5.645 ( -1.179 0.000 -3.465) 3.660 6.125 ( -5.568 0.000 2.793) 6.230 6.145 ( -3.086 0.000 6.566) 7.255 6.260 ( -0.256 0.000 1.078) 1.108 6.366 ( -1.140 0.000 -3.968) 4.129 6.643 ( -6.033 0.000 -0.553) 6.058 6.759 ( -4.037 0.000 5.238) 6.613 6.953 ( 6.813 0.000 5.501) 8.757 7.237 ( 1.807 0.000 -9.548) 9.717 7.261 ( -6.520 0.000 2.276) 6.905 7.363 ( -2.666 0.000 2.288) 3.513 7.425 ( -3.716 0.000 5.004) 6.233 7.561 ( -1.376 0.000 -1.200) 1.826 7.685 ( -10.369 0.000 -6.178) 12.070 7.768 ( 3.452 0.000 -6.678) 7.517 7.871 ( 0.782 0.000 -1.047) 1.307 7.909 ( 1.747 0.000 -2.009) 2.662 7.932 ( 8.523 0.000 1.651) 8.681 8.015 ( 5.254 0.000 0.035) 5.254 8.318 ( -7.483 0.000 2.758) 7.975 8.368 ( 3.252 0.000 18.090) 18.380 8.484 ( -6.479 0.000 3.784) 7.503 8.663 ( -0.903 0.000 3.182) 3.308 8.678 ( -0.342 0.000 -9.305) 9.311 8.744 ( 1.564 0.000 -2.244) 2.735 9.012 ( 0.848 0.000 2.318) 2.469 9.140 ( 7.796 0.000 0.099) 7.797 9.249 ( 5.211 0.000 3.480) 6.266 9.272 ( 4.082 0.000 0.152) 4.085 9.330 ( -1.501 0.000 3.213) 3.546 9.519 ( -0.073 0.000 -2.263) 2.264 9.549 ( -0.007 0.000 -15.266) 15.266 9.787 ( 18.210 0.000 0.191) 18.211 10.104 ( -2.958 0.000 -8.101) 8.624 10.234 ( 6.292 0.000 4.772) 7.897 10.968 ( -4.923 0.000 5.853) 7.648 11.021 ( -2.667 0.000 14.352) 14.597 11.200 ( -1.108 0.000 7.378) 7.461 11.330 ( 2.150 0.000 -10.624) 10.839 11.533 ( 8.789 0.000 -0.457) 8.801 11.636 ( 1.155 0.000 1.046) 1.558 11.839 ( -4.168 0.000 -9.535) 10.406 11.938 ( 15.912 0.000 -11.357) 19.549 12.486 ( 4.444 0.000 8.942) 9.985 12.662 ( -1.229 0.000 -10.272) 10.345 13.150 ( 6.286 0.000 0.200) 6.289 13.337 ( -0.847 0.000 -7.883) 7.928 13.415 ( -6.124 0.000 3.206) 6.912 13.559 ( -1.815 0.000 -1.823) 2.573 13.809 ( 10.700 0.000 7.829) 13.258 13.978 ( 15.737 0.000 -7.179) 17.298 14.147 ( -8.375 0.000 -3.338) 9.016 14.208 ( -5.381 0.000 3.610) 6.480 14.786 ( -7.072 0.000 13.040) 14.834 14.892 ( -2.713 0.000 -8.511) 8.933 15.204 ( 4.864 0.000 3.623) 6.065 15.430 ( 0.339 0.000 -5.848) 5.858 17.338 ( -2.837 0.000 8.903) 9.344 17.541 ( 0.199 0.000 -5.768) 5.771 17.756 ( -5.540 0.000 9.810) 11.267 17.857 ( -7.713 0.000 -7.158) 10.523 19.054 ( -5.052 0.000 8.087) 9.536 19.310 ( -2.287 0.000 -10.937) 11.173 19.866 ( -34.702 0.000 12.576) 36.910 19.888 ( -23.886 0.000 -1.450) 23.930 21.681 ( -0.123 0.000 0.479) 0.495 21.816 ( 2.521 0.000 -2.922) 3.859 22.014 ( -6.161 0.000 3.927) 7.306 22.112 ( -0.939 0.000 -1.814) 2.042 22.821 ( 19.585 0.000 6.382) 20.599 22.863 ( 32.449 0.000 -16.033) 36.194 23.039 ( 7.023 0.000 3.184) 7.711 23.166 ( 10.339 0.000 -4.081) 11.115 ======================= Grid point 100 (47/72) ======================= q-point: ( 0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.465 ( 18.351 0.000 14.350) 23.296 1.557 ( 18.726 0.000 15.238) 24.142 1.835 ( 10.535 0.000 -15.564) 18.795 1.869 ( 1.605 0.000 -24.228) 24.281 2.329 ( -4.311 0.000 0.375) 4.327 2.365 ( -13.220 0.000 -2.530) 13.460 2.418 ( -1.269 0.000 -1.430) 1.912 2.622 ( -11.897 0.000 0.477) 11.906 2.959 ( 18.819 0.000 15.698) 24.507 2.963 ( -0.260 0.000 5.674) 5.680 2.991 ( 1.262 0.000 8.873) 8.962 3.187 ( 9.966 0.000 -3.728) 10.640 3.194 ( 4.030 0.000 0.559) 4.069 3.264 ( -4.050 0.000 -3.354) 5.258 3.284 ( 2.075 0.000 -0.338) 2.103 3.333 ( 3.829 0.000 -4.949) 6.257 3.388 ( -0.797 0.000 0.450) 0.915 3.406 ( 3.975 0.000 -5.558) 6.833 3.462 ( 7.863 0.000 10.603) 13.201 3.627 ( 3.775 0.000 -4.839) 6.137 3.789 ( 3.277 0.000 -3.418) 4.735 3.929 ( 7.563 0.000 5.201) 9.179 3.955 ( 4.996 0.000 -2.944) 5.799 4.058 ( 0.124 0.000 -2.542) 2.545 4.305 ( 3.529 0.000 -5.552) 6.579 4.411 ( -3.699 0.000 5.324) 6.483 4.465 ( 9.319 0.000 -7.545) 11.990 4.475 ( -0.621 0.000 0.124) 0.634 4.639 ( 4.149 0.000 2.260) 4.725 4.710 ( 1.651 0.000 -0.253) 1.670 4.871 ( -7.753 0.000 -4.081) 8.762 4.996 ( -7.264 0.000 2.342) 7.632 5.149 ( -5.708 0.000 9.188) 10.816 5.160 ( -3.918 0.000 -1.941) 4.373 5.219 ( -11.682 0.000 6.441) 13.340 5.566 ( -6.440 0.000 -8.495) 10.660 6.043 ( -2.631 0.000 1.562) 3.059 6.078 ( -3.578 0.000 5.061) 6.198 6.247 ( -1.032 0.000 1.230) 1.605 6.297 ( -4.487 0.000 1.582) 4.758 6.627 ( 3.640 0.000 -3.595) 5.117 6.716 ( -0.571 0.000 5.110) 5.142 7.075 ( 5.367 0.000 4.353) 6.910 7.148 ( -5.797 0.000 1.600) 6.014 7.209 ( -2.345 0.000 -5.322) 5.816 7.249 ( -9.982 0.000 1.117) 10.045 7.429 ( 1.996 0.000 1.355) 2.413 7.510 ( -5.252 0.000 -7.700) 9.321 7.557 ( 0.999 0.000 0.484) 1.110 7.738 ( -5.009 0.000 -8.940) 10.248 7.812 ( -5.184 0.000 0.446) 5.203 7.955 ( 0.932 0.000 0.185) 0.950 8.119 ( 8.826 0.000 -0.762) 8.859 8.137 ( 7.315 0.000 0.085) 7.316 8.238 ( -0.844 0.000 2.211) 2.366 8.319 ( -5.765 0.000 4.317) 7.202 8.452 ( 0.258 0.000 13.166) 13.168 8.634 ( -1.585 0.000 6.375) 6.569 8.658 ( -1.529 0.000 -6.828) 6.997 8.746 ( -1.238 0.000 -2.415) 2.714 9.044 ( 2.110 0.000 0.308) 2.132 9.275 ( 0.740 0.000 -2.695) 2.795 9.294 ( 3.352 0.000 -1.771) 3.791 9.380 ( 7.819 0.000 3.859) 8.720 9.396 ( 7.407 0.000 6.225) 9.675 9.506 ( -1.303 0.000 0.072) 1.305 9.639 ( 8.981 0.000 -12.656) 15.519 10.002 ( -0.854 0.000 3.697) 3.794 10.207 ( 17.610 0.000 -8.443) 19.529 10.311 ( 2.313 0.000 6.257) 6.671 10.856 ( -6.541 0.000 0.467) 6.557 10.931 ( -7.397 0.000 12.088) 14.172 11.217 ( 2.489 0.000 5.644) 6.169 11.418 ( 6.883 0.000 -12.045) 13.873 11.615 ( -3.664 0.000 -2.767) 4.591 11.649 ( 0.151 0.000 -3.605) 3.608 11.867 ( 9.299 0.000 5.213) 10.661 12.153 ( 6.487 0.000 -5.812) 8.709 12.589 ( 5.475 0.000 4.598) 7.149 12.646 ( -0.308 0.000 -8.380) 8.385 13.163 ( -9.962 0.000 8.599) 13.160 13.222 ( -7.571 0.000 -5.439) 9.322 13.436 ( 14.066 0.000 -11.218) 17.991 13.603 ( 4.196 0.000 0.551) 4.232 13.893 ( -4.854 0.000 0.356) 4.868 13.934 ( -10.572 0.000 -3.095) 11.016 14.313 ( 17.762 0.000 10.015) 20.391 14.382 ( 22.539 0.000 -9.973) 24.647 14.608 ( -10.014 0.000 13.784) 17.038 14.797 ( -6.721 0.000 -8.998) 11.231 15.283 ( 1.243 0.000 -0.182) 1.257 15.376 ( -6.608 0.000 -2.087) 6.930 17.282 ( -2.808 0.000 9.817) 10.210 17.545 ( 0.579 0.000 -4.993) 5.026 17.634 ( -6.445 0.000 11.365) 13.065 17.686 ( -8.827 0.000 -8.003) 11.914 18.945 ( -5.631 0.000 8.316) 10.043 19.250 ( -2.967 0.000 -9.771) 10.212 19.351 ( -18.699 0.000 16.277) 24.790 19.458 ( -18.809 0.000 -8.563) 20.666 21.680 ( 0.509 0.000 -0.809) 0.956 21.809 ( -2.636 0.000 0.633) 2.711 21.907 ( -3.854 0.000 1.600) 4.173 22.056 ( -4.734 0.000 -0.996) 4.837 23.153 ( 12.361 0.000 9.320) 15.481 23.234 ( 12.235 0.000 7.193) 14.193 23.318 ( 14.233 0.000 -12.158) 18.719 23.437 ( 15.917 0.000 -14.593) 21.594 ======================= Grid point 101 (48/72) ======================= q-point: ( 0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.851 ( 20.211 0.000 5.536) 20.955 1.889 ( 13.382 0.000 3.683) 13.879 1.951 ( 7.631 0.000 -10.783) 13.210 1.951 ( -7.766 0.000 -0.818) 7.809 2.142 ( 1.038 0.000 -7.544) 7.615 2.187 ( -9.599 0.000 2.531) 9.927 2.344 ( -6.302 0.000 -5.089) 8.100 2.367 ( -13.183 0.000 -4.007) 13.778 2.961 ( 0.018 0.000 6.632) 6.632 3.006 ( 0.436 0.000 7.634) 7.646 3.139 ( 2.658 0.000 -4.018) 4.817 3.158 ( -3.167 0.000 -8.349) 8.929 3.289 ( -0.239 0.000 8.515) 8.518 3.320 ( 3.348 0.000 -1.681) 3.746 3.356 ( 0.170 0.000 -0.562) 0.588 3.385 ( 7.354 0.000 0.038) 7.354 3.439 ( 0.153 0.000 -4.053) 4.056 3.447 ( 4.289 0.000 -2.053) 4.755 3.690 ( 1.536 0.000 1.129) 1.906 3.747 ( 11.708 0.000 8.624) 14.542 3.813 ( 5.215 0.000 2.981) 6.007 3.997 ( 2.174 0.000 4.291) 4.811 4.096 ( -0.703 0.000 -0.031) 0.704 4.160 ( 10.778 0.000 3.097) 11.214 4.308 ( -2.872 0.000 -12.834) 13.151 4.353 ( -0.059 0.000 3.572) 3.572 4.445 ( -1.428 0.000 -0.872) 1.673 4.486 ( -6.278 0.000 -5.833) 8.570 4.745 ( -3.245 0.000 1.261) 3.481 4.782 ( 6.628 0.000 7.619) 10.099 4.784 ( 5.411 0.000 0.981) 5.499 4.831 ( -8.678 0.000 1.764) 8.855 4.932 ( -7.042 0.000 -0.214) 7.045 5.092 ( -4.118 0.000 -5.757) 7.078 5.165 ( 0.405 0.000 10.208) 10.216 5.441 ( -4.698 0.000 -12.381) 13.243 6.024 ( -2.046 0.000 3.713) 4.239 6.026 ( 0.574 0.000 0.834) 1.013 6.227 ( -0.860 0.000 1.640) 1.852 6.230 ( -2.372 0.000 3.051) 3.864 6.726 ( 0.465 0.000 6.360) 6.377 6.745 ( 8.163 0.000 -3.898) 9.046 7.016 ( -6.957 0.000 0.031) 6.957 7.031 ( -9.806 0.000 -2.082) 10.024 7.156 ( 3.066 0.000 1.312) 3.335 7.192 ( 0.251 0.000 -2.914) 2.924 7.467 ( 0.915 0.000 -2.008) 2.207 7.481 ( 1.073 0.000 -6.176) 6.268 7.579 ( -1.744 0.000 7.192) 7.401 7.664 ( -0.396 0.000 -6.854) 6.865 7.735 ( 0.953 0.000 -1.938) 2.160 7.875 ( -8.512 0.000 -0.848) 8.554 8.219 ( 0.952 0.000 2.694) 2.858 8.238 ( 1.804 0.000 0.216) 1.817 8.279 ( 0.499 0.000 4.689) 4.715 8.299 ( 6.631 0.000 -2.938) 7.252 8.425 ( -1.271 0.000 10.244) 10.323 8.615 ( -2.827 0.000 -5.505) 6.188 8.621 ( -0.390 0.000 5.616) 5.629 8.717 ( -0.801 0.000 -2.877) 2.986 9.086 ( 2.305 0.000 1.322) 2.657 9.210 ( -4.109 0.000 -3.174) 5.192 9.407 ( 5.484 0.000 -0.338) 5.494 9.457 ( -3.387 0.000 2.804) 4.397 9.521 ( 4.260 0.000 3.575) 5.561 9.531 ( 6.403 0.000 0.756) 6.447 9.825 ( 8.770 0.000 -6.116) 10.692 9.918 ( -7.253 0.000 3.183) 7.921 10.378 ( 5.878 0.000 7.640) 9.640 10.568 ( 18.227 0.000 -4.243) 18.715 10.713 ( -8.087 0.000 -6.051) 10.100 10.750 ( -11.360 0.000 7.993) 13.890 11.299 ( 5.776 0.000 4.277) 7.188 11.482 ( -8.328 0.000 1.053) 8.395 11.529 ( 3.369 0.000 -12.610) 13.053 11.629 ( -2.493 0.000 -11.477) 11.745 12.061 ( 8.332 0.000 10.042) 13.049 12.237 ( 3.846 0.000 0.828) 3.935 12.610 ( -3.512 0.000 0.163) 3.515 12.660 ( 0.797 0.000 1.880) 2.042 13.021 ( -3.082 0.000 4.773) 5.681 13.121 ( -1.743 0.000 -5.966) 6.215 13.633 ( -4.968 0.000 9.478) 10.701 13.676 ( 5.566 0.000 -10.114) 11.544 13.791 ( -0.786 0.000 -7.180) 7.223 13.819 ( 1.394 0.000 -1.323) 1.922 14.439 ( -5.646 0.000 7.852) 9.672 14.556 ( -0.858 0.000 -6.393) 6.450 14.808 ( 15.774 0.000 4.907) 16.520 14.818 ( 20.897 0.000 -3.935) 21.264 15.156 ( -16.349 0.000 0.130) 16.350 15.211 ( -8.874 0.000 -4.330) 9.874 17.256 ( 0.331 0.000 11.228) 11.233 17.519 ( -4.844 0.000 -7.867) 9.239 17.532 ( -4.473 0.000 10.304) 11.233 17.599 ( 2.251 0.000 -4.518) 5.048 18.881 ( -0.581 0.000 9.404) 9.422 19.114 ( -7.616 0.000 12.273) 14.444 19.174 ( -8.046 0.000 -9.899) 12.757 19.240 ( 0.349 0.000 -9.170) 9.177 21.713 ( 3.139 0.000 -2.070) 3.760 21.736 ( -4.115 0.000 2.550) 4.841 21.885 ( 1.209 0.000 0.063) 1.210 21.955 ( -5.118 0.000 -0.341) 5.129 23.305 ( 3.532 0.000 8.580) 9.278 23.414 ( 4.882 0.000 9.685) 10.846 23.505 ( 5.433 0.000 -10.935) 12.210 23.637 ( 5.585 0.000 -13.875) 14.957 ======================= Grid point 102 (49/72) ======================= q-point: (-0.43 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.655 ( -16.577 0.000 9.213) 18.965 1.858 ( -16.459 0.000 6.912) 17.852 2.008 ( -5.200 0.000 -8.168) 9.682 2.120 ( -4.421 0.000 -11.373) 12.202 2.170 ( 6.345 0.000 -7.689) 9.969 2.257 ( 7.090 0.000 -3.173) 7.768 2.269 ( 7.947 0.000 0.638) 7.973 2.313 ( 13.092 0.000 -0.285) 13.095 2.970 ( 0.730 0.000 7.803) 7.837 3.018 ( 0.723 0.000 6.085) 6.128 3.089 ( -3.974 0.000 -1.706) 4.325 3.189 ( 2.959 0.000 -7.600) 8.156 3.255 ( -2.742 0.000 2.865) 3.966 3.307 ( -5.629 0.000 -1.242) 5.764 3.352 ( -4.980 0.000 3.229) 5.935 3.377 ( 2.314 0.000 -2.456) 3.374 3.498 ( 1.721 0.000 -4.302) 4.634 3.522 ( 1.495 0.000 -6.288) 6.463 3.636 ( -16.989 0.000 6.648) 18.243 3.723 ( 4.180 0.000 1.172) 4.341 3.957 ( -6.954 0.000 1.652) 7.147 3.965 ( -2.463 0.000 9.088) 9.416 4.112 ( 9.661 0.000 3.001) 10.117 4.157 ( -11.210 0.000 -9.422) 14.643 4.208 ( -10.342 0.000 -1.858) 10.508 4.317 ( 2.784 0.000 7.920) 8.395 4.450 ( 2.112 0.000 -4.363) 4.847 4.452 ( -1.688 0.000 -0.675) 1.818 4.698 ( -3.671 0.000 5.430) 6.554 4.753 ( 2.098 0.000 0.035) 2.098 4.848 ( -3.165 0.000 -0.395) 3.189 4.902 ( 7.076 0.000 1.476) 7.228 4.955 ( 6.786 0.000 5.572) 8.781 5.076 ( 7.301 0.000 -11.353) 13.498 5.216 ( 5.553 0.000 8.500) 10.153 5.402 ( 0.262 0.000 -12.521) 12.524 6.004 ( -0.030 0.000 3.120) 3.120 6.061 ( 2.968 0.000 0.086) 2.969 6.208 ( -0.080 0.000 3.809) 3.810 6.225 ( 0.719 0.000 3.048) 3.131 6.678 ( -5.201 0.000 3.408) 6.218 6.840 ( -2.217 0.000 -3.789) 4.390 6.955 ( 1.508 0.000 2.289) 2.741 7.000 ( 9.789 0.000 1.176) 9.859 7.200 ( 0.146 0.000 -3.901) 3.903 7.211 ( 2.315 0.000 -2.112) 3.134 7.454 ( -1.045 0.000 -3.665) 3.811 7.486 ( -1.594 0.000 0.717) 1.748 7.541 ( 2.053 0.000 0.010) 2.053 7.689 ( -8.774 0.000 0.590) 8.794 7.738 ( 5.938 0.000 -5.814) 8.310 7.848 ( 7.548 0.000 1.483) 7.692 8.203 ( -2.858 0.000 3.503) 4.521 8.215 ( -6.129 0.000 3.271) 6.947 8.259 ( 0.531 0.000 0.238) 0.581 8.374 ( -0.500 0.000 -4.316) 4.344 8.458 ( 2.989 0.000 10.023) 10.459 8.598 ( 3.788 0.000 -5.149) 6.392 8.614 ( -0.268 0.000 5.393) 5.400 8.728 ( 1.584 0.000 -3.927) 4.235 9.128 ( -4.400 0.000 -2.396) 5.010 9.134 ( 2.478 0.000 3.739) 4.486 9.363 ( -6.295 0.000 3.535) 7.220 9.479 ( 1.283 0.000 1.579) 2.035 9.544 ( -1.339 0.000 -1.207) 1.803 9.602 ( 0.262 0.000 -3.783) 3.792 9.731 ( -12.267 0.000 3.569) 12.775 9.941 ( 3.870 0.000 0.027) 3.870 10.467 ( -8.782 0.000 5.627) 10.430 10.555 ( -6.467 0.000 -8.817) 10.934 10.589 ( 5.511 0.000 3.868) 6.733 10.877 ( 12.579 0.000 -1.788) 12.706 11.322 ( -6.650 0.000 11.145) 12.978 11.431 ( 5.961 0.000 -3.012) 6.679 11.500 ( -5.949 0.000 -14.136) 15.337 11.575 ( -1.372 0.000 -3.802) 4.042 12.165 ( 2.649 0.000 7.665) 8.109 12.265 ( -3.474 0.000 -9.112) 9.752 12.583 ( 2.451 0.000 6.560) 7.003 12.601 ( -6.689 0.000 3.709) 7.649 13.032 ( 3.302 0.000 2.090) 3.908 13.168 ( 6.320 0.000 -8.240) 10.385 13.457 ( -11.015 0.000 8.570) 13.956 13.682 ( -2.582 0.000 3.219) 4.127 13.841 ( -0.668 0.000 -9.924) 9.946 13.847 ( 4.313 0.000 -2.403) 4.937 14.417 ( 2.735 0.000 6.474) 7.028 14.552 ( -2.157 0.000 -2.329) 3.174 14.809 ( -13.322 0.000 -4.025) 13.916 14.946 ( -15.823 0.000 -7.268) 17.413 15.125 ( 13.191 0.000 3.712) 13.703 15.162 ( 12.605 0.000 -0.672) 12.623 17.310 ( 5.181 0.000 12.451) 13.486 17.453 ( -1.402 0.000 -7.748) 7.873 17.465 ( -2.830 0.000 8.695) 9.144 17.681 ( 5.721 0.000 -4.474) 7.263 18.939 ( 6.541 0.000 12.404) 14.023 19.044 ( -0.174 0.000 9.676) 9.678 19.085 ( -0.503 0.000 -9.997) 10.009 19.335 ( 9.264 0.000 -8.846) 12.809 21.677 ( -1.771 0.000 1.413) 2.266 21.789 ( 3.736 0.000 -2.473) 4.481 21.885 ( -1.069 0.000 0.070) 1.071 21.939 ( 4.089 0.000 1.115) 4.239 23.279 ( -6.772 0.000 10.014) 12.089 23.418 ( -4.398 0.000 7.982) 9.113 23.495 ( -5.811 0.000 -9.812) 11.404 23.671 ( -2.131 0.000 -14.853) 15.005 ======================= Grid point 103 (50/72) ======================= q-point: (-0.29 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( -10.522 0.000 20.366) 22.924 1.508 ( -18.991 0.000 13.327) 23.200 1.836 ( -8.164 0.000 -18.114) 19.869 1.917 ( -11.810 0.000 -18.920) 22.303 2.344 ( 0.161 0.000 -1.324) 1.334 2.363 ( 9.893 0.000 0.414) 9.901 2.415 ( 6.655 0.000 -3.895) 7.711 2.613 ( 13.082 0.000 1.097) 13.128 2.896 ( -19.230 0.000 15.271) 24.556 2.979 ( -0.964 0.000 5.824) 5.903 3.038 ( 1.044 0.000 8.546) 8.609 3.143 ( -5.958 0.000 1.812) 6.228 3.195 ( -6.386 0.000 0.611) 6.415 3.265 ( -2.988 0.000 1.133) 3.196 3.268 ( 4.848 0.000 -11.133) 12.143 3.330 ( -4.565 0.000 -0.152) 4.567 3.385 ( -2.445 0.000 1.809) 3.041 3.499 ( -1.281 0.000 -7.802) 7.907 3.560 ( 2.592 0.000 -0.561) 2.652 3.719 ( -16.477 0.000 -16.751) 23.497 3.800 ( -0.133 0.000 -4.308) 4.310 3.862 ( -7.382 0.000 3.192) 8.042 3.979 ( -1.875 0.000 4.386) 4.770 4.064 ( -6.643 0.000 -5.043) 8.340 4.238 ( 2.219 0.000 2.124) 3.071 4.282 ( -6.425 0.000 8.864) 10.948 4.443 ( 1.796 0.000 3.122) 3.602 4.520 ( 4.732 0.000 -5.168) 7.007 4.639 ( -5.643 0.000 5.025) 7.556 4.732 ( -2.867 0.000 -2.367) 3.718 4.789 ( 1.952 0.000 0.871) 2.137 5.000 ( 5.231 0.000 2.243) 5.691 5.120 ( 5.942 0.000 2.569) 6.474 5.286 ( 11.737 0.000 -5.249) 12.857 5.398 ( 11.591 0.000 7.439) 13.773 5.421 ( 1.598 0.000 -11.508) 11.619 6.031 ( 3.045 0.000 3.338) 4.518 6.133 ( 4.354 0.000 -0.288) 4.363 6.221 ( 1.082 0.000 4.050) 4.192 6.249 ( 1.293 0.000 4.978) 5.143 6.606 ( -1.160 0.000 0.060) 1.162 6.801 ( -0.057 0.000 -3.021) 3.022 7.006 ( 2.230 0.000 7.459) 7.785 7.171 ( -3.371 0.000 -4.739) 5.815 7.229 ( 0.717 0.000 -1.494) 1.658 7.259 ( 15.154 0.000 1.965) 15.280 7.429 ( -2.059 0.000 -1.363) 2.469 7.524 ( 4.116 0.000 -5.224) 6.651 7.584 ( -0.687 0.000 -2.639) 2.727 7.594 ( 3.076 0.000 2.691) 4.086 7.847 ( 4.188 0.000 -2.566) 4.912 7.949 ( 1.811 0.000 0.788) 1.975 8.083 ( -7.336 0.000 2.316) 7.693 8.093 ( -7.978 0.000 3.875) 8.869 8.261 ( -0.043 0.000 -0.009) 0.044 8.367 ( 2.414 0.000 -1.116) 2.659 8.521 ( 3.246 0.000 7.695) 8.352 8.623 ( 1.288 0.000 7.182) 7.297 8.702 ( 2.698 0.000 -7.797) 8.251 8.791 ( 7.473 0.000 -6.858) 10.143 9.040 ( -4.685 0.000 0.139) 4.687 9.159 ( -1.919 0.000 5.751) 6.063 9.222 ( -8.033 0.000 4.961) 9.441 9.433 ( -5.156 0.000 0.888) 5.231 9.478 ( -12.110 0.000 2.241) 12.315 9.508 ( -2.575 0.000 -1.887) 3.192 9.555 ( -3.696 0.000 -6.728) 7.676 9.981 ( -0.041 0.000 2.874) 2.875 10.212 ( -13.813 0.000 -5.801) 14.982 10.470 ( -3.180 0.000 -9.569) 10.084 10.766 ( 9.022 0.000 7.789) 11.919 11.020 ( 2.091 0.000 4.859) 5.289 11.240 ( -1.232 0.000 11.391) 11.458 11.385 ( -4.500 0.000 -8.295) 9.437 11.516 ( 2.041 0.000 -5.454) 5.823 11.562 ( -0.000 0.000 2.957) 2.957 12.092 ( -13.347 0.000 -17.417) 21.943 12.184 ( -1.385 0.000 -0.578) 1.500 12.445 ( -7.643 0.000 9.445) 12.150 12.646 ( 1.812 0.000 -0.766) 1.967 13.127 ( 5.698 0.000 3.202) 6.536 13.263 ( -7.612 0.000 4.799) 8.999 13.325 ( 8.488 0.000 -6.590) 10.746 13.554 ( -7.110 0.000 3.415) 7.888 13.934 ( 9.347 0.000 -1.733) 9.506 13.935 ( 4.479 0.000 -3.174) 5.490 14.203 ( -24.466 0.000 7.287) 25.528 14.463 ( -2.919 0.000 0.074) 2.920 14.665 ( -7.619 0.000 -0.861) 7.667 14.881 ( 10.337 0.000 -12.339) 16.097 15.276 ( 2.931 0.000 -0.006) 2.931 15.314 ( 2.901 0.000 3.938) 4.891 17.420 ( -0.642 0.000 7.389) 7.416 17.459 ( 1.825 0.000 -7.280) 7.505 17.467 ( 9.136 0.000 13.306) 16.140 17.802 ( 6.738 0.000 -5.325) 8.588 19.055 ( 3.239 0.000 9.283) 9.831 19.138 ( 5.492 0.000 -10.252) 11.631 19.200 ( 18.784 0.000 16.371) 24.916 19.591 ( 17.636 0.000 -7.285) 19.082 21.672 ( 1.102 0.000 -0.093) 1.106 21.802 ( -1.087 0.000 1.040) 1.504 21.956 ( 6.651 0.000 -2.793) 7.213 22.025 ( 4.186 0.000 1.985) 4.633 23.048 ( -17.404 0.000 10.407) 20.278 23.275 ( -9.722 0.000 5.285) 11.065 23.319 ( -11.165 0.000 -7.226) 13.299 23.506 ( -15.849 0.000 -19.247) 24.932 ======================= Grid point 104 (51/72) ======================= q-point: (-0.14 0.00 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 72 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.187 ( -13.529 0.000 21.321) 25.251 1.285 ( -1.509 0.000 29.140) 29.179 1.709 ( -8.583 0.000 -23.687) 25.194 1.743 ( -0.385 0.000 -23.561) 23.565 2.163 ( -20.340 0.000 22.906) 30.633 2.457 ( 2.466 0.000 -2.967) 3.858 2.487 ( -7.380 0.000 7.122) 10.256 2.568 ( 5.952 0.000 -3.374) 6.842 2.911 ( -5.182 0.000 -0.714) 5.230 2.927 ( 10.500 0.000 3.562) 11.088 3.046 ( -0.657 0.000 11.149) 11.169 3.069 ( -3.553 0.000 3.198) 4.780 3.091 ( -3.206 0.000 -4.168) 5.258 3.189 ( -7.814 0.000 -5.235) 9.405 3.288 ( 0.209 0.000 -11.976) 11.978 3.321 ( -4.006 0.000 -5.132) 6.511 3.428 ( 9.180 0.000 -1.595) 9.318 3.435 ( 0.467 0.000 -4.917) 4.939 3.563 ( 0.582 0.000 -5.587) 5.618 3.575 ( -2.049 0.000 -3.221) 3.817 3.749 ( -3.625 0.000 0.742) 3.700 3.784 ( 0.347 0.000 5.167) 5.178 3.908 ( -7.894 0.000 -6.055) 9.949 4.002 ( 0.836 0.000 -0.604) 1.031 4.109 ( -9.976 0.000 4.932) 11.129 4.203 ( -5.543 0.000 -0.207) 5.547 4.489 ( 2.375 0.000 2.154) 3.206 4.534 ( -3.093 0.000 2.883) 4.228 4.620 ( 4.591 0.000 -3.815) 5.969 4.694 ( -1.135 0.000 -1.345) 1.760 4.887 ( 6.456 0.000 6.256) 8.990 5.110 ( 5.596 0.000 6.644) 8.686 5.181 ( 0.987 0.000 -3.147) 3.299 5.425 ( 0.570 0.000 -11.563) 11.577 5.493 ( 7.694 0.000 -0.453) 7.707 5.565 ( 4.452 0.000 4.805) 6.551 6.124 ( 5.657 0.000 4.400) 7.167 6.211 ( 3.356 0.000 0.119) 3.358 6.250 ( 2.248 0.000 1.480) 2.692 6.259 ( -0.620 0.000 5.666) 5.699 6.649 ( 5.346 0.000 -0.019) 5.346 6.841 ( 3.170 0.000 -3.194) 4.500 7.010 ( -2.647 0.000 10.641) 10.965 7.079 ( -4.433 0.000 -6.044) 7.495 7.288 ( 5.519 0.000 -1.170) 5.641 7.399 ( -0.907 0.000 1.373) 1.645 7.537 ( 11.449 0.000 -0.534) 11.462 7.541 ( -0.924 0.000 -4.985) 5.070 7.643 ( 7.338 0.000 -2.528) 7.761 7.667 ( 2.870 0.000 1.753) 3.363 7.861 ( -4.262 0.000 0.030) 4.262 7.915 ( -3.666 0.000 -1.873) 4.116 7.950 ( -5.143 0.000 0.166) 5.145 7.981 ( -3.371 0.000 2.857) 4.418 8.270 ( 0.870 0.000 5.754) 5.819 8.454 ( 5.136 0.000 4.269) 6.679 8.582 ( 3.363 0.000 0.108) 3.364 8.657 ( 0.719 0.000 6.517) 6.556 8.706 ( -0.423 0.000 -8.215) 8.226 8.875 ( -8.215 0.000 -17.895) 19.691 8.967 ( -1.898 0.000 4.855) 5.213 9.065 ( 2.483 0.000 6.244) 6.720 9.122 ( -2.539 0.000 8.469) 8.842 9.322 ( -6.054 0.000 -0.583) 6.082 9.336 ( -2.987 0.000 5.112) 5.921 9.442 ( -3.751 0.000 1.080) 3.904 9.517 ( 0.296 0.000 -7.656) 7.661 9.883 ( -11.728 0.000 -6.666) 13.489 10.033 ( -2.106 0.000 -1.567) 2.625 10.376 ( -7.167 0.000 -9.751) 12.101 10.923 ( 7.323 0.000 9.844) 12.269 11.019 ( -0.559 0.000 10.091) 10.107 11.260 ( 2.028 0.000 10.947) 11.133 11.333 ( -1.178 0.000 -5.932) 6.048 11.486 ( -4.898 0.000 -7.470) 8.932 11.580 ( 1.809 0.000 8.357) 8.550 11.792 ( -15.085 0.000 -18.013) 23.495 12.074 ( -7.993 0.000 -11.168) 13.734 12.394 ( 0.841 0.000 15.161) 15.184 12.651 ( 0.005 0.000 -6.334) 6.334 13.181 ( -0.064 0.000 -2.741) 2.742 13.196 ( 0.717 0.000 4.962) 5.014 13.482 ( 7.357 0.000 -3.517) 8.155 13.496 ( -1.309 0.000 3.885) 4.099 13.775 ( -14.944 0.000 10.908) 18.501 13.954 ( -4.384 0.000 -6.396) 7.754 14.155 ( 10.419 0.000 -1.847) 10.581 14.328 ( -4.258 0.000 -7.041) 8.228 14.693 ( 5.140 0.000 10.494) 11.685 15.004 ( 0.584 0.000 -7.569) 7.592 15.292 ( -4.425 0.000 7.372) 8.598 15.305 ( 2.769 0.000 -6.827) 7.368 17.401 ( -1.049 0.000 7.982) 8.051 17.500 ( 2.258 0.000 -6.839) 7.202 17.671 ( 9.865 0.000 10.689) 14.546 17.917 ( 4.675 0.000 -5.779) 7.433 19.108 ( 1.812 0.000 8.633) 8.821 19.251 ( 5.624 0.000 -11.005) 12.359 19.746 ( 37.296 0.000 14.100) 39.872 19.977 ( 20.581 0.000 -0.090) 20.581 21.703 ( 1.283 0.000 -1.746) 2.167 21.764 ( -3.435 0.000 2.202) 4.080 22.070 ( -0.201 0.000 2.271) 2.279 22.086 ( 6.142 0.000 -3.056) 6.861 22.669 ( -19.045 0.000 4.884) 19.662 23.023 ( -30.779 0.000 -15.282) 34.364 23.092 ( -8.433 0.000 3.126) 8.994 23.126 ( -9.498 0.000 -5.149) 10.804 ======================= Grid point 105 (52/72) ======================= q-point: ( 0.00 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.315 ( 0.411 19.925 19.346) 27.775 1.403 ( -5.862 14.261 24.195) 28.691 1.742 ( -0.842 11.322 -20.573) 23.498 1.898 ( 5.743 8.825 -21.538) 23.974 2.101 ( 5.152 13.519 34.436) 37.352 2.452 ( -2.089 2.102 1.620) 3.377 2.525 ( -2.572 5.105 -5.009) 7.601 2.649 ( 2.595 4.030 -9.989) 11.080 2.876 ( 2.112 -0.560 1.869) 2.875 2.933 ( -5.673 -1.960 -1.200) 6.121 2.988 ( 2.648 -4.149 6.971) 8.534 3.016 ( -2.218 -2.054 2.188) 3.732 3.057 ( -1.637 -1.272 -0.865) 2.246 3.122 ( 4.180 -1.451 1.992) 4.853 3.213 ( -4.552 -3.675 -8.213) 10.084 3.267 ( 0.352 -2.287 -12.182) 12.400 3.412 ( -0.100 -5.143 -0.821) 5.209 3.455 ( 0.461 -5.014 -2.876) 5.799 3.477 ( -0.602 -6.014 -0.697) 6.084 3.522 ( -0.328 -3.976 -1.874) 4.408 3.697 ( 0.828 1.176 5.545) 5.728 3.731 ( -5.021 0.623 1.399) 5.249 3.899 ( 6.830 -4.847 -3.115) 8.936 3.919 ( -1.135 -4.535 -5.921) 7.544 4.065 ( 0.669 0.926 1.403) 1.810 4.101 ( 0.502 1.430 -0.575) 1.621 4.492 ( -2.220 0.936 7.969) 8.325 4.659 ( 1.133 7.686 -4.832) 9.149 4.710 ( 1.486 4.118 -0.161) 4.381 4.738 ( -1.742 5.167 -0.960) 5.536 4.937 ( 4.056 -5.791 7.604) 10.383 5.098 ( -2.065 -5.181 -6.405) 8.493 5.219 ( 1.411 2.260 7.130) 7.612 5.372 ( -3.723 -1.637 -6.543) 7.703 5.571 ( -3.467 -0.513 5.175) 6.250 5.639 ( 3.999 2.161 -1.922) 4.935 5.951 ( -0.397 -10.502 5.581) 11.899 6.042 ( 1.071 -12.400 -2.564) 12.707 6.288 ( -2.028 -0.319 5.500) 5.871 6.382 ( 1.315 0.692 -3.055) 3.397 6.737 ( 0.868 -1.662 1.370) 2.323 6.810 ( -1.569 0.256 -5.422) 5.650 7.018 ( -4.818 7.612 10.526) 13.855 7.183 ( 6.213 2.695 -3.439) 7.595 7.409 ( -2.314 3.579 2.793) 5.096 7.458 ( 3.784 6.162 -1.924) 7.483 7.550 ( -0.860 -1.736 -0.475) 1.994 7.590 ( -1.086 -4.469 -3.664) 5.880 7.687 ( 1.851 0.771 -1.093) 2.284 7.715 ( -0.738 0.523 -1.746) 1.966 7.815 ( -1.097 -0.375 1.252) 1.706 7.859 ( 3.500 1.453 -3.582) 5.214 7.970 ( -2.635 3.456 2.256) 4.897 7.996 ( -0.331 3.568 -0.929) 3.702 8.285 ( -1.600 -3.517 10.350) 11.048 8.362 ( -1.177 -5.717 4.470) 7.352 8.478 ( 4.428 -4.765 -5.909) 8.788 8.557 ( -5.715 -5.399 -7.526) 10.884 8.752 ( 1.421 -0.742 2.942) 3.350 8.823 ( -4.743 -2.043 -2.892) 5.919 8.932 ( -0.022 -3.815 3.013) 4.862 8.986 ( 2.807 -1.293 -0.691) 3.166 9.059 ( 2.384 3.459 7.821) 8.878 9.208 ( -3.587 -0.777 -1.742) 4.062 9.407 ( 11.104 0.858 3.980) 11.827 9.571 ( -0.265 2.915 -4.783) 5.607 9.701 ( -9.051 12.177 1.415) 15.239 9.824 ( 2.600 9.527 -3.659) 10.531 10.106 ( 2.775 5.987 -2.992) 7.246 10.172 ( -4.563 -0.529 -8.651) 9.795 11.004 ( -3.162 -1.636 12.432) 12.932 11.061 ( 3.826 2.932 10.139) 11.227 11.307 ( 3.223 0.800 -5.019) 6.018 11.342 ( -6.751 2.860 1.839) 7.558 11.458 ( 0.898 6.157 -2.082) 6.562 11.549 ( 3.598 -6.478 12.132) 14.216 11.788 ( 4.428 6.895 -17.653) 19.462 11.908 ( -6.130 -2.441 -15.556) 16.897 12.422 ( 4.270 0.711 13.257) 13.946 12.668 ( -0.814 0.026 -9.870) 9.903 13.132 ( -3.589 -1.175 6.741) 7.727 13.264 ( 5.300 0.508 -4.952) 7.271 13.514 ( -7.910 3.088 3.678) 9.254 13.564 ( 9.494 -3.462 3.124) 10.577 13.640 ( 9.332 -4.712 -4.020) 11.201 13.704 ( -11.582 -2.203 -6.312) 13.373 14.321 ( 1.004 5.408 7.858) 9.592 14.466 ( -2.058 9.550 -6.495) 11.731 14.760 ( 3.869 -3.862 8.297) 9.936 14.888 ( -3.635 -5.068 -4.294) 7.572 15.155 ( -3.863 -3.339 4.995) 7.143 15.292 ( 4.149 -8.003 -7.296) 11.597 17.361 ( -1.352 -1.316 8.374) 8.584 17.492 ( 0.936 -3.121 -3.361) 4.681 17.818 ( 1.554 1.224 5.478) 5.825 17.930 ( -1.110 -1.942 -4.686) 5.192 19.129 ( -1.442 1.026 7.741) 7.941 19.313 ( 1.638 -0.827 -10.119) 10.284 19.767 ( 2.819 -32.896 14.186) 35.936 19.912 ( -2.393 -21.426 -1.578) 21.617 21.798 ( 2.962 5.087 3.584) 6.892 21.895 ( -4.934 5.234 -5.163) 8.855 22.170 ( -3.105 8.307 0.901) 8.914 22.220 ( 8.244 7.346 -3.269) 11.516 22.581 ( -1.970 4.040 3.063) 5.439 22.677 ( 0.001 10.409 -7.664) 12.927 23.026 ( -2.414 4.355 1.203) 5.123 23.071 ( 0.954 3.823 -3.224) 5.091 ======================= Grid point 106 (53/72) ======================= q-point: ( 0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.313 ( 2.033 12.781 23.435) 26.771 1.452 ( 10.871 15.909 17.850) 26.266 1.781 ( 5.426 10.309 -18.599) 21.947 1.957 ( 0.084 7.996 -24.026) 25.322 2.388 ( 11.797 7.484 14.890) 20.419 2.441 ( 4.918 5.323 5.085) 8.853 2.466 ( -1.755 4.533 -0.022) 4.861 2.745 ( 2.286 2.042 -2.240) 3.797 2.792 ( -5.073 0.409 3.036) 5.926 2.924 ( 1.343 -2.277 1.625) 3.102 2.957 ( -1.892 -3.191 8.684) 9.444 3.039 ( 3.833 -0.811 0.698) 3.979 3.082 ( 3.887 -1.498 -3.929) 5.727 3.180 ( 1.995 -4.387 -2.703) 5.526 3.220 ( 4.209 -3.020 3.255) 6.118 3.278 ( 1.013 -2.446 -10.514) 10.842 3.338 ( -4.515 -6.439 -1.331) 7.976 3.394 ( 0.602 0.936 -5.533) 5.644 3.503 ( -2.369 0.333 0.653) 2.480 3.572 ( 1.977 -2.560 -2.663) 4.190 3.660 ( 3.265 -2.109 0.851) 3.978 3.786 ( 4.943 -0.453 6.726) 8.359 3.879 ( -1.955 -5.544 -6.843) 9.021 4.087 ( 9.238 -4.887 -2.144) 10.669 4.106 ( 3.646 -1.464 -0.329) 3.943 4.163 ( 5.819 1.083 -4.839) 7.646 4.450 ( -1.932 -0.110 7.367) 7.617 4.662 ( -4.291 4.821 1.609) 6.652 4.671 ( 0.338 8.902 -1.211) 8.991 4.742 ( 0.767 2.759 -2.328) 3.691 4.965 ( -1.690 -5.710 0.322) 5.964 5.036 ( -3.320 -1.896 -3.247) 5.016 5.210 ( -3.093 -0.066 5.571) 6.373 5.284 ( -4.788 1.322 0.780) 5.028 5.453 ( -8.629 0.259 4.310) 9.649 5.665 ( -1.277 1.508 -4.124) 4.573 5.929 ( -1.414 -9.769 4.152) 10.709 6.056 ( -0.137 -10.615 -2.076) 10.817 6.237 ( -2.813 -0.041 5.850) 6.491 6.383 ( -1.334 -0.509 -1.752) 2.260 6.679 ( -3.576 3.195 -0.485) 4.820 6.827 ( 0.225 2.163 -1.184) 2.476 6.962 ( 0.269 3.559 6.866) 7.739 7.264 ( 1.571 1.029 -2.935) 3.485 7.291 ( -6.870 1.766 0.858) 7.145 7.431 ( -6.993 3.474 0.988) 7.871 7.505 ( 1.140 6.172 -1.572) 6.470 7.611 ( -6.243 -4.317 -5.781) 9.541 7.640 ( 0.929 3.852 0.582) 4.005 7.708 ( -3.202 -2.938 -3.462) 5.557 7.837 ( 0.151 -1.342 -1.630) 2.117 7.913 ( -0.310 -0.404 2.836) 2.881 7.965 ( 7.680 3.225 -1.875) 8.538 8.040 ( 3.670 1.432 2.219) 4.522 8.267 ( -1.007 -3.686 7.115) 8.077 8.287 ( -3.525 -8.474 3.634) 9.871 8.475 ( -2.877 1.331 -2.087) 3.796 8.546 ( 1.649 -5.203 -2.017) 5.819 8.759 ( -1.181 1.774 2.449) 3.246 8.793 ( -0.459 2.557 -0.322) 2.618 8.969 ( 5.346 -11.632 0.890) 12.832 9.040 ( -0.535 -4.127 7.183) 8.302 9.103 ( 5.197 4.060 -2.536) 7.066 9.193 ( 1.314 -3.671 0.747) 3.970 9.499 ( -2.572 1.552 -14.069) 14.387 9.567 ( 4.966 2.745 0.449) 5.692 9.678 ( 2.350 13.060 8.494) 15.755 9.930 ( 4.381 0.811 1.156) 4.603 10.104 ( 3.961 5.740 -9.316) 11.637 10.210 ( 5.268 3.272 -1.443) 6.367 10.942 ( -3.618 -1.798 10.810) 11.540 11.126 ( 2.151 5.092 10.770) 12.106 11.219 ( -4.045 4.032 -0.925) 5.786 11.385 ( 4.091 3.217 -6.823) 8.582 11.531 ( 5.442 0.606 4.675) 7.200 11.646 ( 6.450 0.131 6.779) 9.358 11.783 ( -6.467 -3.968 -11.449) 13.735 11.950 ( 10.482 0.805 -14.961) 18.286 12.537 ( 6.362 4.436 4.836) 9.140 12.634 ( -2.088 -2.782 -9.644) 10.252 13.117 ( 2.794 -2.376 4.567) 5.857 13.272 ( -6.290 -5.191 1.645) 8.319 13.405 ( -1.535 -0.877 -7.714) 7.914 13.528 ( -4.468 -3.136 -0.924) 5.537 13.811 ( 14.047 1.693 6.398) 15.528 13.932 ( 19.452 -0.702 -6.675) 20.578 14.261 ( -6.275 5.938 6.336) 10.713 14.318 ( -10.901 8.686 -5.529) 14.995 14.741 ( -6.055 -3.939 11.439) 13.529 14.850 ( -2.086 -3.883 -7.773) 8.936 15.152 ( 3.165 -4.814 1.942) 6.080 15.348 ( 1.551 -7.092 -4.223) 8.398 17.325 ( -2.547 -0.970 8.413) 8.844 17.498 ( -0.075 -3.312 -1.459) 3.620 17.779 ( -5.068 1.222 5.080) 7.279 17.849 ( -6.726 -0.643 -5.376) 8.635 19.066 ( -5.136 0.977 7.453) 9.103 19.303 ( -2.232 -0.794 -9.683) 9.969 19.578 ( -17.581 -19.868 16.502) 31.243 19.703 ( -16.480 -14.559 -5.221) 22.602 21.650 ( -6.170 1.790 -0.393) 6.436 21.909 ( -1.254 0.544 1.106) 1.758 22.143 ( -2.566 5.782 2.399) 6.766 22.207 ( -12.301 11.324 -2.573) 16.917 22.697 ( 24.655 -2.826 -1.900) 24.889 22.983 ( 10.843 -2.020 -1.153) 11.090 23.134 ( 18.465 11.450 -5.840) 22.498 23.195 ( 10.074 3.573 -2.350) 10.944 ======================= Grid point 107 (54/72) ======================= q-point: ( 0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.496 ( 15.162 5.775 15.912) 22.725 1.719 ( 15.426 11.673 12.123) 22.830 1.913 ( 5.591 7.019 -18.040) 20.149 1.956 ( 4.568 8.032 -17.267) 19.584 2.325 ( -11.826 0.362 -0.651) 11.850 2.439 ( -1.729 1.802 -1.132) 2.742 2.452 ( -6.375 6.471 -0.737) 9.114 2.616 ( -11.403 -0.221 -0.251) 11.408 2.904 ( 3.789 -2.978 10.234) 11.312 2.956 ( 2.744 -1.954 3.542) 4.888 3.049 ( 9.857 3.125 8.589) 13.442 3.105 ( 1.383 -5.603 -2.253) 6.196 3.165 ( -1.141 -5.242 1.308) 5.521 3.234 ( 9.842 1.021 -1.168) 9.964 3.269 ( 3.019 -2.230 -4.412) 5.792 3.337 ( 5.531 0.277 -1.776) 5.816 3.381 ( 0.995 0.036 1.373) 1.696 3.411 ( 5.367 -2.959 3.207) 6.917 3.503 ( 3.475 6.175 1.398) 7.222 3.636 ( 5.961 -0.153 -4.044) 7.205 3.715 ( 3.334 -5.862 -4.422) 8.065 3.863 ( 1.128 -7.236 -3.047) 7.932 3.949 ( 10.388 0.394 6.934) 12.496 4.094 ( -2.240 3.887 -1.585) 4.757 4.223 ( 5.902 -4.172 -5.550) 9.113 4.353 ( 9.531 -4.996 -4.702) 11.744 4.408 ( -2.632 -1.329 3.463) 4.548 4.591 ( -3.665 3.171 0.774) 4.908 4.677 ( 0.700 2.867 4.030) 4.996 4.766 ( 1.713 2.653 -1.185) 3.373 4.888 ( -4.709 2.925 -7.900) 9.651 4.956 ( -6.489 -1.701 1.952) 6.987 5.115 ( -4.152 -3.457 0.673) 5.445 5.215 ( -7.731 3.976 8.296) 12.017 5.256 ( -7.243 3.156 6.550) 10.263 5.593 ( -5.627 2.183 -8.755) 10.634 5.917 ( 0.329 -7.402 2.952) 7.975 6.032 ( -2.035 -5.866 -0.309) 6.217 6.199 ( -1.096 -1.501 5.040) 5.372 6.333 ( -3.374 0.664 -0.270) 3.449 6.670 ( 2.919 4.219 -1.665) 5.394 6.808 ( -1.028 6.664 1.775) 6.973 7.006 ( 2.359 -2.114 2.180) 3.845 7.194 ( -4.351 0.045 0.364) 4.366 7.259 ( -2.039 1.173 -2.217) 3.233 7.291 ( -7.215 6.610 -0.144) 9.787 7.474 ( -4.714 -3.918 -5.568) 8.281 7.499 ( -1.373 3.960 0.135) 4.193 7.604 ( -5.169 -6.694 0.787) 8.494 7.634 ( -3.125 5.897 -4.479) 8.037 7.831 ( -0.961 -1.523 0.022) 1.801 7.930 ( -0.008 -1.635 0.227) 1.651 8.071 ( 3.734 -2.002 0.726) 4.298 8.133 ( 3.877 -3.030 -1.214) 5.068 8.244 ( 2.514 -4.022 0.596) 4.780 8.275 ( 0.382 0.566 2.885) 2.965 8.442 ( -1.390 0.516 6.641) 6.805 8.558 ( -0.049 -2.655 0.125) 2.658 8.716 ( -2.632 3.091 0.699) 4.119 8.765 ( -2.772 -0.824 -1.666) 3.337 9.030 ( 0.400 -6.327 3.647) 7.314 9.083 ( 4.808 -10.321 0.438) 11.394 9.229 ( 2.711 -4.809 1.668) 5.767 9.233 ( 6.885 2.273 0.445) 7.264 9.506 ( 3.196 0.412 -10.467) 10.952 9.641 ( 2.438 0.211 -0.381) 2.477 9.696 ( -0.491 8.142 6.402) 10.369 9.931 ( -1.542 -4.370 -0.913) 4.724 10.266 ( 8.452 1.020 3.479) 9.197 10.388 ( 14.884 12.375 -7.318) 20.693 10.861 ( -5.242 0.561 9.160) 10.569 11.126 ( -3.407 13.675 2.516) 14.315 11.186 ( 0.804 -2.394 4.046) 4.769 11.477 ( 5.162 4.575 -9.941) 12.100 11.599 ( -4.574 -1.213 0.813) 4.801 11.644 ( -0.301 -1.500 -0.755) 1.706 11.831 ( 10.524 -1.032 4.065) 11.329 12.116 ( 6.273 -2.588 -6.495) 9.393 12.566 ( -0.876 -3.547 -11.368) 11.941 12.652 ( 0.823 0.996 2.807) 3.090 13.067 ( -6.255 -4.143 9.817) 12.356 13.281 ( 0.401 0.750 -5.394) 5.461 13.399 ( 8.420 -2.024 -6.652) 10.920 13.538 ( 3.683 -4.661 0.152) 5.942 13.957 ( -3.558 4.305 3.185) 6.429 14.032 ( -12.548 8.156 -5.289) 15.873 14.263 ( 10.287 -4.142 10.384) 15.192 14.388 ( 20.097 0.073 -10.080) 22.484 14.611 ( -4.729 -0.180 8.848) 10.034 14.759 ( -6.026 -2.971 -7.220) 9.863 15.198 ( -0.638 -7.137 0.373) 7.175 15.335 ( -3.316 -4.176 -2.084) 5.725 17.279 ( -1.964 -0.099 9.131) 9.340 17.491 ( -0.784 -3.680 2.932) 4.770 17.667 ( -5.609 1.512 -0.397) 5.823 17.705 ( -7.171 1.878 -3.592) 8.238 18.957 ( -5.531 1.036 7.824) 9.638 19.244 ( -3.103 -0.769 -8.518) 9.098 19.275 ( -12.766 -6.115 14.615) 20.346 19.389 ( -14.378 -5.683 -8.687) 17.734 21.595 ( -0.133 -2.824 -0.240) 2.837 21.863 ( -3.872 -3.108 0.780) 5.026 21.965 ( -8.129 8.564 0.668) 11.826 22.097 ( -5.207 3.007 -0.439) 6.029 23.103 ( 15.380 -2.891 4.347) 16.242 23.181 ( 11.104 -3.463 3.135) 12.047 23.400 ( 10.880 4.601 -3.881) 12.435 23.492 ( 14.646 4.643 -12.335) 19.703 ======================= Grid point 108 (55/72) ======================= q-point: ( 0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.833 ( 17.806 1.019 6.993) 19.157 1.948 ( 1.950 2.929 -6.701) 7.568 1.991 ( -7.350 3.260 0.761) 8.077 2.045 ( 11.771 8.624 -0.950) 14.623 2.185 ( 7.016 5.559 -6.168) 10.871 2.275 ( -10.903 3.614 1.641) 11.603 2.353 ( -8.458 4.402 -5.496) 11.005 2.414 ( -8.423 3.747 -3.651) 9.915 2.928 ( 0.433 -2.956 6.624) 7.267 2.983 ( 0.618 -2.288 6.679) 7.087 3.074 ( -1.645 -6.584 -3.825) 7.790 3.128 ( 0.804 -2.005 -5.832) 6.220 3.250 ( 4.203 -1.946 3.762) 5.967 3.304 ( -0.488 -1.989 2.111) 2.942 3.321 ( 0.165 -1.357 -2.219) 2.607 3.403 ( 0.569 -2.611 -5.378) 6.005 3.437 ( 5.790 1.313 -0.843) 5.997 3.483 ( 2.494 0.544 -0.309) 2.572 3.634 ( 3.651 0.069 6.405) 7.373 3.719 ( -0.104 -7.668 -3.181) 8.302 3.868 ( 14.296 4.871 8.802) 17.481 3.929 ( 4.943 -5.312 -1.200) 7.355 4.028 ( -5.435 -1.462 1.020) 5.720 4.167 ( 9.017 0.774 4.723) 10.209 4.307 ( 0.573 -0.464 -10.067) 10.094 4.356 ( 0.328 0.230 5.044) 5.060 4.456 ( -3.441 -3.095 -3.736) 5.948 4.532 ( 2.158 4.718 -3.495) 6.256 4.681 ( -1.327 -4.617 3.067) 5.700 4.731 ( -5.987 -2.252 1.688) 6.616 4.841 ( -3.028 2.737 5.138) 6.562 4.870 ( 2.465 3.590 0.071) 4.356 4.991 ( -7.486 4.471 2.263) 9.008 5.075 ( -0.684 0.031 -4.691) 4.741 5.229 ( -0.188 4.282 8.579) 9.590 5.484 ( -4.186 3.236 -11.810) 12.941 5.936 ( 0.810 -5.090 3.474) 6.216 5.993 ( -1.374 -3.681 -0.320) 3.942 6.195 ( 0.143 -1.524 4.995) 5.225 6.275 ( -1.928 1.775 -0.939) 2.784 6.768 ( 4.728 3.908 1.643) 6.350 6.812 ( 2.685 5.799 -0.534) 6.413 7.010 ( -1.973 0.206 -1.108) 2.272 7.044 ( -9.113 1.262 -1.279) 9.288 7.205 ( -1.021 2.644 1.422) 3.171 7.233 ( -1.126 3.217 -3.744) 5.064 7.444 ( 0.482 -2.900 -2.245) 3.699 7.492 ( -0.789 1.088 -3.831) 4.060 7.518 ( -1.494 -5.727 4.690) 7.551 7.602 ( 0.450 -2.513 -4.701) 5.350 7.788 ( -3.044 -0.112 2.014) 3.652 7.868 ( -4.288 0.151 -4.063) 5.909 8.122 ( 2.083 -3.770 2.012) 4.753 8.192 ( 0.855 -2.941 -0.540) 3.110 8.310 ( 2.515 0.832 4.201) 4.966 8.345 ( 5.943 -0.149 -1.328) 6.091 8.413 ( 0.149 0.866 5.174) 5.249 8.534 ( -3.322 -1.031 0.974) 3.612 8.679 ( -1.135 0.282 -0.794) 1.414 8.702 ( -2.665 -2.231 -1.552) 3.806 9.042 ( 0.697 -6.605 4.569) 8.061 9.131 ( 0.093 -7.005 -2.797) 7.543 9.278 ( 1.994 -6.816 5.653) 9.077 9.348 ( 4.021 1.783 -1.620) 4.688 9.569 ( -4.765 -4.398 7.026) 9.561 9.607 ( 4.646 1.056 -5.754) 7.470 9.753 ( 4.165 -2.178 -0.991) 4.804 9.880 ( -3.953 -1.142 -3.174) 5.196 10.464 ( 12.203 7.392 9.784) 17.300 10.690 ( 13.429 8.562 -5.590) 16.879 10.744 ( -5.364 3.156 4.205) 7.511 10.986 ( -11.259 15.931 -7.565) 20.923 11.231 ( 2.894 -6.164 6.531) 9.436 11.419 ( -7.875 -2.548 1.206) 8.365 11.564 ( 2.218 4.512 -6.965) 8.590 11.693 ( 1.690 2.903 -6.735) 7.527 12.021 ( 8.041 -2.685 6.779) 10.855 12.191 ( 2.225 -3.309 -0.163) 3.991 12.540 ( -4.360 -6.059 0.704) 7.497 12.612 ( -1.632 -3.857 -4.519) 6.161 13.022 ( 1.400 1.795 8.367) 8.671 13.238 ( -2.017 7.088 -6.529) 9.846 13.600 ( 3.009 -1.421 3.068) 4.526 13.649 ( 9.926 -5.046 -4.234) 11.912 13.789 ( -9.463 2.957 1.805) 10.077 13.873 ( -3.360 3.282 -6.224) 7.797 14.342 ( -0.914 -7.751 6.321) 10.044 14.499 ( -5.046 -5.734 -5.943) 9.678 14.781 ( 15.162 -2.134 -1.759) 15.412 14.858 ( 17.604 2.784 1.505) 17.887 15.067 ( -13.205 -6.148 0.930) 14.596 15.217 ( -8.809 -1.328 -4.710) 10.077 17.269 ( 0.834 1.181 10.949) 11.044 17.455 ( -3.146 -3.033 4.842) 6.523 17.584 ( -3.676 1.907 -3.419) 5.370 17.621 ( 0.046 2.074 -3.673) 4.218 18.893 ( -0.781 1.114 8.823) 8.927 19.100 ( -6.017 -1.323 11.413) 12.970 19.158 ( -6.885 -1.403 -9.208) 11.583 19.232 ( 0.349 -0.784 -8.622) 8.665 21.633 ( 3.770 -3.757 0.111) 5.323 21.740 ( -6.845 -2.459 -0.053) 7.273 21.919 ( 1.507 3.372 0.397) 3.714 21.992 ( -5.095 2.378 -0.101) 5.623 23.283 ( 4.139 -1.663 6.661) 8.017 23.351 ( 4.735 -3.922 4.490) 7.613 23.566 ( 5.340 3.905 -5.091) 8.348 23.667 ( 4.697 2.286 -11.726) 12.837 ======================= Grid point 109 (56/72) ======================= q-point: (-0.43 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.680 ( -14.857 3.472 10.444) 18.489 1.969 ( -11.487 6.227 2.895) 13.383 2.042 ( -7.997 5.829 -6.436) 11.805 2.139 ( 2.363 1.592 -7.538) 8.058 2.185 ( 5.831 1.249 -4.889) 7.711 2.290 ( 2.413 3.427 -1.734) 4.536 2.352 ( 8.025 7.383 -3.674) 11.507 2.367 ( 10.852 5.101 -1.144) 12.046 2.936 ( 0.259 -3.195 6.748) 7.471 2.994 ( 0.480 -2.076 5.135) 5.560 3.049 ( -1.486 -3.793 -1.166) 4.238 3.148 ( 1.864 -4.361 -5.354) 7.153 3.244 ( -3.615 -2.216 2.638) 4.994 3.259 ( -2.979 -1.709 -2.078) 4.014 3.330 ( -3.736 -2.027 1.715) 4.584 3.384 ( -0.192 -0.765 -1.383) 1.592 3.489 ( 0.369 -0.504 -1.303) 1.445 3.501 ( -2.751 -2.342 -4.742) 5.962 3.646 ( -1.915 -4.259 2.100) 5.120 3.711 ( -5.818 3.544 -0.246) 6.817 3.834 ( -3.312 -5.102 4.888) 7.803 4.015 ( -2.610 -2.631 -1.744) 4.096 4.070 ( 3.928 -0.622 8.125) 9.046 4.140 ( -8.995 -1.129 -7.485) 11.756 4.244 ( -4.270 2.179 -0.269) 4.801 4.345 ( -1.035 2.871 4.161) 5.160 4.435 ( -1.701 0.300 4.807) 5.108 4.496 ( -4.030 -0.393 -5.639) 6.943 4.660 ( 0.665 -1.422 2.946) 3.338 4.724 ( 2.439 -1.683 2.916) 4.157 4.849 ( 6.152 -0.858 2.120) 6.563 4.906 ( -2.512 2.444 -1.762) 3.923 4.979 ( 5.993 0.997 2.866) 6.717 5.148 ( 8.917 5.319 -8.316) 13.303 5.251 ( 3.463 3.121 8.987) 10.124 5.449 ( 0.181 3.485 -11.486) 12.005 5.923 ( -1.402 -5.115 3.744) 6.493 6.000 ( 1.262 -5.203 0.141) 5.356 6.199 ( 0.678 0.174 4.064) 4.123 6.279 ( 1.865 2.275 -0.805) 3.050 6.737 ( -4.710 5.054 1.852) 7.153 6.879 ( -2.113 3.406 -2.911) 4.954 6.973 ( 2.125 1.921 0.748) 2.961 7.025 ( 7.281 2.543 1.235) 7.810 7.189 ( -1.621 -0.885 -1.579) 2.430 7.253 ( 3.530 2.957 -2.175) 5.093 7.419 ( -0.963 -2.592 0.251) 2.776 7.490 ( 0.258 -3.354 -0.047) 3.364 7.544 ( 2.478 3.272 -3.904) 5.664 7.635 ( 1.124 -7.155 -4.998) 8.800 7.736 ( 0.685 1.770 4.679) 5.050 7.870 ( 3.909 -0.822 -2.089) 4.508 8.136 ( -1.542 -1.515 3.086) 3.768 8.163 ( -3.155 -2.671 -0.718) 4.196 8.276 ( -3.246 -1.350 3.925) 5.270 8.397 ( -5.658 1.172 -3.049) 6.533 8.482 ( 4.318 3.262 4.692) 7.163 8.519 ( 6.362 -4.410 -2.243) 8.059 8.644 ( -0.595 -0.454 1.720) 1.876 8.711 ( 2.255 -2.137 -2.076) 3.737 9.050 ( -0.666 -5.574 3.437) 6.582 9.112 ( -0.938 -4.707 0.027) 4.800 9.266 ( -3.789 -10.896 5.021) 12.581 9.338 ( -5.408 -2.132 0.749) 5.861 9.481 ( -2.389 0.507 3.074) 3.927 9.716 ( -3.961 -0.010 -0.880) 4.058 9.749 ( 3.905 2.820 -2.496) 5.425 9.872 ( 3.839 -4.800 -3.674) 7.161 10.544 ( -10.391 6.301 5.251) 13.239 10.683 ( -8.358 9.737 -2.562) 13.086 10.747 ( 3.710 10.573 -1.570) 11.314 10.950 ( 9.559 4.446 -4.487) 11.457 11.235 ( -2.753 -5.202 6.109) 8.483 11.373 ( 2.591 -1.468 5.946) 6.650 11.582 ( 0.007 4.535 -4.041) 6.074 11.674 ( -3.028 8.042 -11.194) 14.112 12.111 ( -0.340 -4.532 5.067) 6.806 12.205 ( 0.185 -4.890 -4.307) 6.519 12.420 ( -6.813 -9.888 5.104) 13.048 12.621 ( 2.150 -0.859 -0.926) 2.493 13.085 ( 3.656 4.097 6.363) 8.405 13.219 ( 0.559 2.889 -8.277) 8.784 13.497 ( -11.465 2.993 4.068) 12.528 13.696 ( -0.789 2.368 5.499) 6.039 13.771 ( 0.884 -5.577 -5.515) 7.893 13.886 ( 5.658 2.406 -4.062) 7.369 14.380 ( 5.026 -3.509 4.393) 7.542 14.485 ( 2.937 -6.745 -6.314) 9.695 14.727 ( -18.624 -4.468 1.408) 19.204 14.950 ( -12.243 -0.922 -5.079) 13.287 15.065 ( 10.955 -4.686 2.361) 12.146 15.183 ( 9.998 0.677 -3.096) 10.489 17.311 ( 2.828 0.100 11.479) 11.822 17.406 ( -1.286 -1.460 4.268) 4.690 17.539 ( -0.544 3.798 -2.427) 4.539 17.675 ( 4.786 -0.456 -4.720) 6.737 18.939 ( 5.340 0.068 11.399) 12.588 19.046 ( 0.106 0.148 9.249) 9.251 19.084 ( -0.241 -0.131 -9.278) 9.282 19.310 ( 7.573 -2.298 -8.510) 11.621 21.624 ( -3.717 -3.213 0.751) 4.970 21.752 ( 7.190 -3.478 -1.043) 8.055 21.923 ( -1.618 3.496 -0.001) 3.853 21.985 ( 5.012 2.804 0.482) 5.763 23.262 ( -6.711 -1.314 8.166) 10.651 23.349 ( -4.837 -4.079 3.660) 7.309 23.562 ( -5.373 4.061 -4.807) 8.274 23.695 ( -1.847 1.836 -12.692) 12.957 ======================= Grid point 110 (57/72) ======================= q-point: (-0.29 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.456 ( -8.061 7.826 20.327) 23.225 1.679 ( -15.862 13.025 11.581) 23.567 1.877 ( -6.482 4.829 -18.720) 20.390 2.007 ( -9.852 7.520 -14.757) 19.271 2.344 ( 8.246 0.085 -1.091) 8.318 2.437 ( 4.413 5.437 -0.497) 7.020 2.459 ( 4.933 4.614 -3.214) 7.481 2.619 ( 13.013 0.660 -0.499) 13.039 2.926 ( -10.661 0.425 8.564) 13.681 2.954 ( -4.482 -1.298 8.382) 9.593 2.999 ( -0.338 -2.690 4.645) 5.378 3.130 ( -5.110 -2.811 -0.909) 5.902 3.163 ( -7.159 -1.605 4.913) 8.830 3.214 ( -3.173 -4.164 1.377) 5.413 3.232 ( 4.420 -2.594 -5.349) 7.407 3.304 ( -7.160 -1.925 -1.489) 7.562 3.398 ( -3.307 0.291 2.006) 3.879 3.466 ( -1.435 -1.846 -3.507) 4.215 3.599 ( 0.240 2.490 -6.851) 7.294 3.656 ( -1.363 -8.646 0.363) 8.761 3.781 ( -14.657 4.660 -15.500) 21.836 3.846 ( -3.278 -3.545 -1.391) 5.024 4.014 ( -4.016 0.850 4.267) 5.921 4.072 ( -4.496 -5.196 -0.615) 6.898 4.150 ( -1.627 2.218 0.511) 2.798 4.230 ( -9.099 -3.498 4.923) 10.921 4.464 ( 1.807 0.022 3.460) 3.904 4.540 ( 7.673 -1.212 0.633) 7.794 4.715 ( 3.492 1.558 7.775) 8.664 4.745 ( 0.364 4.079 0.412) 4.116 4.765 ( -6.395 1.310 -3.867) 7.587 5.016 ( 5.681 -0.909 -3.079) 6.525 5.097 ( 5.271 -0.244 2.767) 5.958 5.342 ( 10.340 3.921 -4.812) 12.060 5.394 ( 8.810 0.238 7.641) 11.664 5.458 ( 1.389 2.747 -8.378) 8.926 5.911 ( 0.237 -7.038 3.212) 7.740 6.021 ( 0.847 -8.383 1.324) 8.529 6.236 ( 2.907 1.072 2.040) 3.710 6.320 ( 1.958 2.463 0.325) 3.164 6.673 ( -1.246 5.610 -1.293) 5.891 6.842 ( -0.525 2.412 -1.758) 3.030 7.018 ( 2.151 1.518 4.041) 4.823 7.147 ( -2.177 -0.174 -0.251) 2.198 7.175 ( 5.439 -1.270 3.594) 6.642 7.354 ( 8.124 4.143 -3.244) 9.680 7.456 ( 1.907 1.439 -3.005) 3.839 7.493 ( 2.411 -3.958 1.072) 4.757 7.608 ( 4.852 3.997 -4.108) 7.510 7.653 ( 1.326 0.842 -2.379) 2.851 7.802 ( 2.909 0.332 1.909) 3.495 7.940 ( 1.153 -4.499 0.234) 4.650 8.065 ( -5.765 -0.478 -0.470) 5.804 8.088 ( -2.435 0.157 4.278) 4.924 8.232 ( -1.370 -4.966 1.810) 5.460 8.310 ( -1.661 0.543 -1.732) 2.460 8.482 ( -2.440 -1.692 3.256) 4.407 8.658 ( 5.412 -6.762 -5.476) 10.247 8.694 ( 4.627 1.573 1.650) 5.158 8.769 ( 4.024 0.406 -2.470) 4.739 9.000 ( -3.801 -3.741 2.971) 6.105 9.103 ( -1.755 -2.830 2.987) 4.473 9.160 ( -5.991 -11.467 6.746) 14.591 9.220 ( -5.350 1.041 1.111) 5.563 9.401 ( -6.392 -1.245 -1.704) 6.732 9.611 ( -3.625 2.726 2.148) 5.019 9.816 ( 0.329 7.124 -1.391) 7.266 9.966 ( 5.380 -0.004 -5.220) 7.496 10.289 ( -14.869 6.567 -1.830) 16.357 10.440 ( -10.349 2.468 -9.864) 14.508 10.905 ( 5.824 8.653 7.352) 12.761 11.060 ( 2.407 2.748 4.399) 5.718 11.204 ( 0.048 -0.023 0.402) 0.406 11.417 ( 0.928 -3.053 10.444) 10.920 11.569 ( -1.720 5.494 -0.917) 5.830 11.611 ( -2.483 6.453 -7.505) 10.204 11.986 ( -10.480 -6.646 -11.567) 16.965 12.205 ( -4.451 -0.736 -8.911) 9.988 12.314 ( -0.835 -8.591 11.244) 14.175 12.674 ( 2.148 1.973 0.217) 2.925 13.147 ( 2.623 1.229 5.237) 5.985 13.249 ( 2.581 -4.984 -1.892) 5.923 13.295 ( -8.029 1.919 -0.776) 8.292 13.575 ( -6.267 -0.902 -2.809) 6.927 13.928 ( 11.573 1.711 4.538) 12.548 14.014 ( 5.507 5.167 -1.427) 7.685 14.223 ( -22.535 2.513 4.130) 23.047 14.471 ( -0.040 -0.425 -3.453) 3.480 14.597 ( -2.950 -5.925 -1.006) 6.695 14.828 ( 6.051 -3.798 -7.396) 10.283 15.199 ( 2.585 -6.866 0.187) 7.339 15.296 ( 1.325 -1.996 1.081) 2.628 17.358 ( 1.438 -3.440 4.964) 6.208 17.419 ( 2.113 -0.743 7.894) 8.205 17.581 ( 5.317 5.152 -0.054) 7.404 17.784 ( 6.277 -1.577 -4.678) 7.986 19.059 ( 4.130 0.046 9.302) 10.178 19.136 ( 5.293 -0.254 -9.113) 10.541 19.146 ( 12.519 -3.942 14.063) 19.237 19.511 ( 13.297 -6.799 -7.813) 16.855 21.588 ( 0.103 -2.759 0.374) 2.786 21.880 ( 4.069 -3.614 -0.709) 5.488 21.966 ( 7.712 8.349 0.630) 11.383 22.093 ( 5.741 3.923 -0.088) 6.954 23.030 ( -17.649 -1.041 7.975) 19.395 23.191 ( -10.577 -4.729 1.970) 11.752 23.397 ( -10.697 4.504 -3.308) 12.069 23.557 ( -12.919 3.710 -15.392) 20.434 ======================= Grid point 111 (58/72) ======================= q-point: (-0.14 0.14 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.380 ( -3.925 15.624 21.456) 26.831 1.443 ( -5.274 13.955 21.735) 26.362 1.805 ( -2.329 8.824 -21.736) 23.574 1.847 ( -3.721 9.163 -19.934) 22.252 2.278 ( -16.320 10.120 16.897) 25.578 2.505 ( 2.340 4.226 -1.399) 5.029 2.527 ( -6.301 3.320 5.544) 9.025 2.604 ( 4.169 3.489 -0.158) 5.439 2.874 ( 3.709 -3.368 4.187) 6.529 2.924 ( 0.001 -0.882 2.048) 2.229 2.995 ( -0.750 -2.703 5.854) 6.491 3.060 ( -2.209 -3.194 -4.530) 5.967 3.075 ( -2.018 -0.659 4.720) 5.176 3.152 ( -5.485 -3.589 -4.415) 7.903 3.256 ( 0.541 -3.574 -8.219) 8.979 3.296 ( -2.986 -3.388 1.168) 4.665 3.334 ( 3.848 -3.640 -8.428) 9.955 3.477 ( -3.899 2.385 -12.075) 12.911 3.503 ( 1.117 -1.985 -0.665) 2.373 3.552 ( -5.758 -5.039 -1.651) 7.828 3.733 ( -3.442 -1.611 -3.179) 4.955 3.765 ( 3.181 -0.360 2.202) 3.886 3.891 ( -6.764 -3.358 -0.375) 7.561 4.000 ( -7.362 -4.391 0.973) 8.627 4.082 ( -1.728 0.416 1.758) 2.500 4.130 ( -2.671 -1.207 0.708) 3.016 4.509 ( 1.183 1.611 6.147) 6.464 4.639 ( 1.321 1.229 -5.609) 5.892 4.670 ( 0.431 6.173 1.032) 6.273 4.753 ( 0.318 5.850 -0.776) 5.910 4.827 ( 6.397 -3.231 8.328) 10.987 5.094 ( 2.584 -5.711 -3.892) 7.378 5.174 ( 2.883 2.968 4.371) 6.019 5.426 ( -1.636 -0.359 -8.188) 8.357 5.520 ( 7.940 2.712 -2.138) 8.659 5.565 ( 4.563 -0.915 6.003) 7.596 5.933 ( 1.630 -9.079 4.080) 10.086 6.031 ( 0.287 -11.104 0.076) 11.108 6.291 ( 1.912 -0.178 3.277) 3.798 6.350 ( 1.518 2.425 -1.456) 3.210 6.688 ( 2.411 3.153 -0.613) 4.016 6.846 ( -0.249 -0.884 -3.285) 3.411 7.055 ( 1.790 3.198 5.625) 6.713 7.115 ( -0.944 3.642 0.614) 3.812 7.286 ( 8.005 0.634 2.241) 8.336 7.457 ( -0.559 3.670 2.661) 4.568 7.520 ( 5.694 0.010 -4.857) 7.484 7.571 ( 3.872 -2.618 -2.516) 5.308 7.647 ( -0.446 5.126 -1.985) 5.515 7.708 ( 3.973 -0.463 -1.912) 4.433 7.810 ( -0.479 -0.859 1.034) 1.427 7.909 ( -4.599 0.098 2.941) 5.460 7.971 ( -1.748 0.838 -1.848) 2.678 8.057 ( -2.589 5.623 0.029) 6.190 8.262 ( 3.830 -10.571 4.598) 12.148 8.327 ( 2.518 2.549 1.617) 3.931 8.438 ( -1.152 -7.372 -0.990) 7.527 8.666 ( -3.525 -9.915 -5.801) 12.016 8.769 ( 0.456 -0.744 -4.057) 4.149 8.857 ( 4.637 4.826 -1.947) 6.970 8.915 ( -4.247 -1.897 4.804) 6.687 9.031 ( -5.024 -0.953 1.973) 5.481 9.062 ( -3.861 -4.749 6.279) 8.768 9.209 ( 5.581 0.903 6.791) 8.836 9.297 ( -3.896 -1.943 -3.736) 5.737 9.569 ( -0.916 5.012 1.809) 5.407 9.792 ( -1.583 9.105 -1.530) 9.367 9.978 ( -11.938 10.247 0.311) 15.735 10.065 ( -0.492 5.718 -10.338) 11.824 10.284 ( -6.269 -4.106 -8.548) 11.368 10.979 ( 3.075 4.231 9.812) 11.119 11.064 ( -1.830 2.262 8.664) 9.139 11.236 ( 3.180 0.524 -4.677) 5.680 11.429 ( -0.434 2.493 17.597) 17.778 11.514 ( -2.779 2.862 -11.177) 11.868 11.540 ( -5.837 -1.933 5.829) 8.473 11.805 ( -5.445 1.827 -17.390) 18.314 12.050 ( -8.606 -2.772 -13.250) 16.041 12.360 ( 2.710 -1.422 13.356) 13.702 12.683 ( -0.612 2.402 -5.681) 6.199 13.168 ( 0.257 -2.508 5.564) 6.109 13.203 ( -0.841 1.430 -0.502) 1.733 13.374 ( 9.186 -5.851 -1.774) 11.035 13.527 ( 1.034 -1.095 -1.401) 2.057 13.788 ( -18.438 1.819 6.794) 19.734 13.951 ( -10.796 0.244 -6.668) 12.692 14.200 ( 10.430 6.525 4.709) 13.173 14.432 ( 2.553 4.941 -8.454) 10.120 14.661 ( 5.280 -2.545 9.452) 11.122 14.942 ( 1.489 -5.499 -6.412) 8.578 15.211 ( 0.754 -7.174 -2.113) 7.516 15.260 ( -3.666 -3.905 1.891) 5.680 17.372 ( -0.003 -2.194 7.226) 7.551 17.463 ( 2.045 -2.518 -1.017) 3.400 17.720 ( 7.639 3.033 5.312) 9.787 17.893 ( 4.600 -2.126 -4.564) 6.820 19.120 ( 2.009 0.838 7.971) 8.263 19.245 ( 5.450 -0.666 -9.749) 11.188 19.486 ( 20.440 -17.900 16.941) 32.018 19.782 ( 13.433 -15.474 -4.466) 20.972 21.639 ( 5.792 1.579 0.516) 6.026 21.939 ( 2.464 0.777 -1.531) 3.003 22.120 ( 3.969 8.038 3.473) 9.614 22.219 ( 8.994 10.156 -2.646) 13.822 22.626 ( -21.476 -1.537 3.154) 21.761 22.986 ( -11.369 -4.484 -0.870) 12.252 23.188 ( -10.098 4.388 -2.028) 11.196 23.210 ( -19.825 10.174 -11.633) 25.137 ======================= Grid point 112 (59/72) ======================= q-point: ( 0.00 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( -1.441 18.530 17.039) 25.214 1.780 ( -2.650 19.947 17.138) 26.431 2.040 ( -0.681 15.553 -13.523) 20.621 2.143 ( 5.464 13.344 -17.398) 22.597 2.461 ( 4.213 15.844 12.381) 20.544 2.492 ( -4.474 0.568 4.016) 6.039 2.655 ( 1.411 5.636 -0.033) 5.810 2.690 ( -1.434 -0.160 1.905) 2.390 2.814 ( 4.518 -7.716 7.751) 11.833 2.870 ( -1.453 -1.268 2.036) 2.804 2.903 ( -3.300 -4.063 -4.184) 6.701 2.984 ( -0.831 0.371 1.359) 1.635 3.029 ( 2.770 -0.283 -3.401) 4.395 3.073 ( -0.550 -2.357 -2.305) 3.343 3.100 ( -3.691 -5.057 -2.295) 6.668 3.196 ( -0.018 -4.717 -10.632) 11.632 3.336 ( -0.795 -0.264 2.309) 2.456 3.383 ( 3.874 -3.136 0.616) 5.022 3.427 ( -0.783 -3.144 -2.580) 4.141 3.472 ( -1.369 3.707 -9.594) 10.375 3.651 ( -5.330 -4.733 2.573) 7.578 3.710 ( 5.402 -5.627 -2.381) 8.155 3.765 ( 0.608 -3.002 1.403) 3.369 3.843 ( -1.370 -1.491 -4.017) 4.499 4.084 ( -1.337 1.377 5.203) 5.545 4.146 ( 3.699 1.694 -0.500) 4.099 4.492 ( -3.743 -2.129 7.508) 8.655 4.666 ( 5.849 -8.899 -5.293) 11.892 4.754 ( -0.414 -2.934 0.468) 3.000 4.801 ( -0.367 -2.157 -1.806) 2.837 4.926 ( 0.081 8.069 4.516) 9.247 5.007 ( -0.403 0.212 -2.571) 2.611 5.295 ( 0.314 4.288 0.757) 4.366 5.315 ( -3.016 -3.302 -0.531) 4.503 5.519 ( -1.537 -3.920 8.141) 9.166 5.670 ( 2.546 -0.372 -5.179) 5.783 5.822 ( -1.514 -2.425 1.384) 3.176 5.844 ( 1.686 -4.647 -1.274) 5.105 6.244 ( -1.576 -2.866 4.536) 5.592 6.343 ( 0.265 -4.025 -4.372) 5.949 6.752 ( 0.407 3.217 1.836) 3.726 6.830 ( -0.474 1.991 -5.404) 5.779 7.163 ( -3.932 3.579 5.705) 7.798 7.205 ( 5.308 2.351 1.575) 6.015 7.412 ( 0.266 -5.426 1.867) 5.745 7.476 ( 3.524 -2.423 2.767) 5.094 7.506 ( -3.266 -1.236 -5.301) 6.348 7.536 ( -2.249 -3.373 -3.172) 5.147 7.719 ( -0.192 3.255 1.303) 3.511 7.779 ( 3.275 3.906 -4.215) 6.614 7.826 ( -2.629 2.169 3.934) 5.205 7.891 ( 4.359 0.537 -0.974) 4.498 8.027 ( 1.632 1.549 2.939) 3.702 8.045 ( -6.215 1.798 -0.530) 6.491 8.224 ( 4.885 -0.542 2.141) 5.361 8.257 ( -4.538 -2.285 -2.334) 5.591 8.422 ( -0.280 -6.345 -1.278) 6.479 8.473 ( 1.716 0.285 -4.597) 4.915 8.631 ( -0.648 -5.342 2.942) 6.133 8.688 ( -2.219 -7.048 -2.123) 7.688 8.950 ( -0.721 3.748 8.513) 9.329 9.090 ( -0.320 7.352 -2.802) 7.874 9.179 ( 2.573 6.224 5.623) 8.774 9.252 ( -4.455 2.835 2.057) 5.667 9.382 ( 10.136 -2.445 5.599) 11.835 9.551 ( -2.517 -3.451 -10.469) 11.307 9.872 ( -0.255 2.850 -1.062) 3.052 9.891 ( -2.810 0.386 -2.434) 3.738 10.291 ( -3.088 10.933 -2.799) 11.701 10.353 ( 1.081 10.579 -6.025) 12.222 10.975 ( -2.717 -0.223 12.234) 12.534 11.145 ( 1.154 4.895 4.068) 6.469 11.274 ( 3.656 -2.779 -5.979) 7.539 11.393 ( 4.559 -6.330 14.541) 16.501 11.447 ( -5.267 5.368 -4.950) 9.003 11.637 ( 0.630 9.082 5.617) 10.698 11.779 ( -1.230 -4.745 -13.416) 14.284 11.913 ( -0.363 1.137 -12.309) 12.366 12.467 ( 5.308 2.574 6.107) 8.491 12.658 ( -3.354 -1.479 -10.393) 11.020 13.124 ( -0.558 1.096 11.140) 11.207 13.242 ( -0.166 -2.714 1.559) 3.134 13.407 ( -4.712 -6.458 -4.835) 9.343 13.444 ( 8.565 -5.756 -6.021) 11.948 13.743 ( 1.213 10.822 2.621) 11.201 13.818 ( -4.424 7.592 -4.783) 10.004 14.396 ( 0.113 0.889 11.769) 11.804 14.575 ( 3.783 -1.890 -5.279) 6.764 14.677 ( 0.279 -2.172 6.041) 6.426 14.751 ( -3.980 -6.436 -0.859) 7.616 15.067 ( -2.359 -4.768 -2.173) 5.746 15.106 ( 2.727 -7.780 -4.897) 9.589 17.340 ( -0.881 -0.455 7.939) 8.001 17.425 ( 0.517 -2.890 1.776) 3.431 17.816 ( 0.583 -1.470 1.380) 2.098 17.876 ( -0.044 -2.983 -3.375) 4.504 19.146 ( -1.285 0.399 6.198) 6.343 19.281 ( 1.257 -12.548 12.550) 17.791 19.284 ( 1.417 -2.299 -5.990) 6.571 19.495 ( -1.450 -15.720 -7.179) 17.342 21.874 ( 2.437 2.504 3.931) 5.259 21.938 ( -3.156 0.565 -1.834) 3.694 22.316 ( -8.045 5.877 1.259) 10.042 22.358 ( 9.855 5.906 -2.301) 11.717 22.618 ( -2.516 -1.041 4.915) 5.619 22.750 ( 3.317 -2.733 -7.771) 8.880 23.175 ( -1.788 8.610 0.994) 8.849 23.243 ( -0.119 8.994 -6.453) 11.070 ======================= Grid point 113 (60/72) ======================= q-point: ( 0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.666 ( -2.942 18.402 18.020) 25.923 1.824 ( 6.558 18.494 13.456) 23.793 2.065 ( 3.598 15.486 -12.016) 19.928 2.169 ( -2.620 10.834 -17.800) 21.002 2.447 ( 0.359 -0.284 1.719) 1.779 2.567 ( -3.998 3.847 0.178) 5.551 2.632 ( -0.451 5.535 3.451) 6.538 2.737 ( -0.060 -1.190 2.173) 2.478 2.801 ( -1.170 -3.540 9.702) 10.393 2.863 ( 2.698 0.616 -2.764) 3.911 2.891 ( 3.654 -3.331 5.786) 7.611 2.993 ( -0.073 -2.863 -0.262) 2.876 3.044 ( 3.637 -2.671 -3.333) 5.610 3.114 ( 2.776 -4.971 -1.183) 5.815 3.148 ( 5.099 1.444 -0.282) 5.307 3.198 ( 3.745 -3.533 -3.706) 6.344 3.313 ( 1.561 4.199 1.441) 4.706 3.414 ( -2.839 -2.581 -2.150) 4.398 3.491 ( 2.828 -4.043 -2.410) 5.491 3.512 ( 6.994 3.627 -7.942) 11.187 3.631 ( 4.409 -2.801 1.355) 5.396 3.716 ( -3.351 -1.666 2.431) 4.463 3.791 ( 0.378 -2.322 -3.247) 4.010 3.921 ( 11.576 -8.205 -2.962) 14.495 4.109 ( 3.499 1.310 4.785) 6.071 4.250 ( 4.720 3.538 -5.639) 8.161 4.434 ( -2.082 -1.773 6.563) 7.110 4.636 ( -8.179 -6.759 1.864) 10.773 4.782 ( -1.873 -2.241 -0.911) 3.059 4.804 ( 7.004 -4.542 -6.233) 10.418 4.894 ( -3.515 6.711 1.840) 7.796 5.003 ( -0.213 1.714 -0.438) 1.781 5.174 ( -7.842 -3.204 3.197) 9.055 5.361 ( 1.868 5.829 2.558) 6.634 5.443 ( -6.668 -1.776 6.816) 9.700 5.682 ( -0.693 -0.642 -6.272) 6.343 5.791 ( -1.333 -2.639 1.155) 3.174 5.876 ( 1.678 -5.505 -1.237) 5.886 6.210 ( -1.900 -1.961 5.017) 5.712 6.335 ( -1.070 -3.875 -2.952) 4.988 6.777 ( 1.401 5.978 1.742) 6.382 6.851 ( 2.850 1.838 -4.678) 5.778 7.063 ( -4.110 3.598 2.322) 5.935 7.294 ( 2.612 1.244 1.524) 3.270 7.327 ( -8.811 1.834 0.443) 9.011 7.383 ( -3.919 -5.015 0.296) 6.371 7.512 ( -1.241 -3.254 -5.507) 6.516 7.545 ( -1.985 -5.779 0.983) 6.189 7.674 ( -5.530 4.631 -1.025) 7.285 7.740 ( -0.059 -0.458 0.418) 0.624 7.850 ( -0.394 1.105 -3.283) 3.486 7.907 ( -3.862 -0.619 5.039) 6.379 8.048 ( 6.546 2.447 -4.598) 8.365 8.067 ( -0.061 1.407 6.679) 6.826 8.145 ( -2.855 -1.802 -2.408) 4.147 8.231 ( -2.410 3.031 2.698) 4.720 8.439 ( 3.835 -4.960 -3.741) 7.301 8.462 ( -2.758 -3.109 -3.514) 5.442 8.624 ( 2.654 -9.915 5.787) 11.783 8.819 ( 8.106 -2.444 -0.512) 8.481 8.933 ( -1.495 7.490 5.749) 9.560 9.045 ( -3.240 4.652 1.968) 6.001 9.164 ( -3.408 1.629 5.219) 6.443 9.217 ( 0.987 3.928 -2.582) 4.803 9.488 ( -1.640 -2.602 -12.121) 12.505 9.512 ( 2.862 -6.564 6.085) 9.397 9.872 ( 1.357 2.459 -0.145) 2.812 9.892 ( -1.868 -0.336 -3.575) 4.048 10.260 ( 1.543 10.968 0.935) 11.116 10.417 ( 6.939 8.377 -3.602) 11.459 10.941 ( -1.760 2.497 9.685) 10.155 11.145 ( -1.707 -0.770 8.458) 8.663 11.334 ( 2.850 1.100 -8.600) 9.126 11.442 ( 4.876 6.354 -0.151) 8.011 11.518 ( 6.674 -5.620 6.825) 11.078 11.667 ( -0.074 3.724 -4.442) 5.797 11.766 ( 2.669 3.663 0.682) 4.584 11.965 ( 5.372 0.851 -12.784) 13.892 12.549 ( -2.871 -4.428 -2.240) 5.733 12.613 ( 3.479 0.454 -4.642) 5.818 13.093 ( -3.231 0.924 10.063) 10.610 13.179 ( -2.556 -2.410 3.425) 4.906 13.357 ( 0.536 -4.267 -9.051) 10.021 13.449 ( -4.345 -3.296 -4.277) 6.930 13.896 ( 11.596 5.834 5.252) 14.003 13.984 ( 17.342 4.706 -3.483) 18.304 14.322 ( -6.630 0.455 5.484) 8.616 14.494 ( -11.463 6.063 -5.772) 14.195 14.642 ( -3.481 -4.748 9.196) 10.919 14.736 ( 0.276 -6.604 -5.449) 8.566 15.025 ( -1.043 -6.096 -1.526) 6.370 15.172 ( 3.383 -8.644 -2.039) 9.504 17.311 ( -1.975 -0.069 7.758) 8.005 17.426 ( -0.406 -3.231 3.734) 4.954 17.780 ( -3.908 -0.883 -0.678) 4.063 17.833 ( -3.926 -1.035 -3.492) 5.355 19.084 ( -5.042 0.604 6.100) 7.937 19.243 ( -4.730 -10.521 12.781) 17.217 19.273 ( -2.231 -2.062 -6.617) 7.281 19.406 ( -6.821 -11.473 -7.443) 15.282 21.720 ( -9.820 3.925 0.167) 10.576 21.894 ( -4.415 -1.345 1.282) 4.790 22.250 ( -2.699 4.939 1.021) 5.720 22.373 ( -15.417 3.548 0.285) 15.823 22.695 ( 21.128 1.322 -0.963) 21.192 22.899 ( 8.944 -4.953 -1.264) 10.302 23.290 ( 10.765 6.387 -0.922) 12.551 23.364 ( 11.223 7.466 -5.992) 14.752 ======================= Grid point 114 (61/72) ======================= q-point: ( 0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 7.036 13.240 13.180) 19.963 1.980 ( 7.218 11.961 4.563) 14.696 2.106 ( 1.364 10.177 -10.780) 14.888 2.188 ( 6.955 13.140 -7.710) 16.747 2.334 ( -12.381 0.152 -1.837) 12.517 2.455 ( -7.140 -0.940 0.758) 7.242 2.562 ( -2.549 3.350 2.422) 4.857 2.686 ( -4.396 6.977 -1.921) 8.467 2.822 ( 1.800 -4.403 7.858) 9.186 2.887 ( 0.094 -5.378 0.902) 5.454 2.952 ( -0.351 -4.712 -2.648) 5.417 3.082 ( 1.430 -2.441 -0.567) 2.885 3.106 ( 7.201 -1.885 0.561) 7.464 3.180 ( 5.648 -3.770 -3.545) 7.660 3.217 ( 2.623 -3.762 -1.406) 4.797 3.323 ( 6.873 -1.448 1.078) 7.106 3.359 ( -0.799 -3.542 -0.577) 3.676 3.397 ( 1.361 1.060 6.655) 6.875 3.521 ( -1.515 -6.241 -2.734) 6.980 3.670 ( 7.134 8.342 3.901) 11.649 3.697 ( 4.086 -2.882 0.637) 5.040 3.721 ( 10.129 2.062 -9.254) 13.874 3.938 ( 11.443 -1.275 1.759) 11.647 4.130 ( 8.497 -3.560 -0.435) 9.223 4.189 ( 4.815 -0.197 -0.062) 4.819 4.304 ( 2.246 2.750 -6.767) 7.642 4.382 ( -4.196 -0.849 3.692) 5.653 4.507 ( -3.733 -7.330 0.305) 8.232 4.733 ( -2.644 -4.952 2.670) 6.217 4.810 ( -4.514 6.881 2.301) 8.545 4.959 ( 4.562 1.481 -4.226) 6.393 4.979 ( -0.226 -0.720 -0.714) 1.039 5.010 ( -7.280 -1.263 1.325) 7.507 5.271 ( -10.665 0.804 7.923) 13.310 5.367 ( -1.515 7.003 5.204) 8.856 5.635 ( -4.213 1.262 -8.413) 9.493 5.799 ( 2.410 -3.198 1.411) 4.246 5.905 ( 1.179 -5.039 -0.817) 5.239 6.181 ( -1.068 -0.630 4.500) 4.668 6.305 ( -1.801 -3.036 -2.063) 4.089 6.806 ( 2.429 8.385 0.326) 8.736 6.919 ( 3.583 3.575 -2.966) 5.866 7.029 ( -0.196 3.020 0.509) 3.068 7.193 ( -5.126 0.582 -0.071) 5.160 7.278 ( -4.313 -0.932 -1.308) 4.603 7.331 ( -0.112 -4.173 -0.151) 4.177 7.405 ( -8.247 0.553 -4.036) 9.199 7.456 ( -6.056 -4.712 0.438) 7.686 7.574 ( -3.798 1.774 -2.410) 4.835 7.692 ( -7.467 -3.571 1.797) 8.470 7.802 ( -3.949 -0.407 -0.820) 4.054 7.900 ( -0.416 -2.091 0.682) 2.238 8.004 ( 2.991 -5.019 1.257) 5.976 8.128 ( 1.113 7.191 -1.688) 7.470 8.219 ( 6.115 -0.423 -0.641) 6.163 8.242 ( 3.105 -0.578 3.949) 5.057 8.431 ( -0.623 -3.079 -0.197) 3.148 8.513 ( 3.251 -2.823 -1.819) 4.674 8.632 ( -1.751 -8.147 5.049) 9.743 8.834 ( -8.290 6.289 -1.866) 10.571 8.952 ( 1.894 1.449 3.087) 3.901 9.000 ( 1.310 1.456 2.294) 3.016 9.135 ( 1.554 -1.503 5.801) 6.191 9.318 ( 8.070 1.066 0.115) 8.141 9.473 ( -0.543 -2.594 -7.568) 8.019 9.515 ( -1.574 -9.516 3.124) 10.139 9.797 ( -5.627 1.737 -3.375) 6.788 9.889 ( -0.363 -1.893 -5.412) 5.745 10.386 ( 10.611 9.144 6.989) 15.654 10.600 ( 11.025 5.322 -3.693) 12.787 10.898 ( -3.165 3.044 8.504) 9.571 11.103 ( -2.771 -4.984 6.009) 8.284 11.383 ( 1.740 8.545 -7.828) 11.718 11.524 ( -0.971 -0.190 2.192) 2.405 11.596 ( 1.726 0.450 2.723) 3.255 11.661 ( 4.142 6.561 -5.557) 9.543 11.888 ( 7.507 5.559 3.416) 9.947 12.078 ( 5.766 -0.683 -7.677) 9.626 12.444 ( -4.950 -6.850 -6.607) 10.727 12.635 ( -4.291 -4.199 -1.296) 6.142 13.042 ( -0.186 2.187 9.478) 9.729 13.247 ( 8.123 -2.431 1.213) 8.565 13.391 ( 2.360 0.512 -8.609) 8.941 13.438 ( 5.341 -4.593 1.240) 7.152 14.033 ( -1.998 2.455 4.767) 5.722 14.150 ( -5.033 -2.757 4.910) 7.553 14.230 ( -12.656 6.315 -3.601) 14.595 14.377 ( 13.571 -0.864 -6.131) 14.917 14.574 ( -2.377 -3.086 -1.725) 4.260 14.713 ( 2.015 -1.332 -3.055) 3.895 15.025 ( -0.577 -7.808 1.147) 7.913 15.208 ( -0.319 -7.333 -1.091) 7.420 17.285 ( -0.472 0.792 8.409) 8.459 17.415 ( -0.729 -3.295 6.951) 7.727 17.691 ( -4.661 1.059 -4.253) 6.398 17.743 ( -4.913 1.149 -3.820) 6.328 18.982 ( -4.938 1.239 6.599) 8.334 19.141 ( -5.468 -5.774 10.211) 12.942 19.211 ( -3.688 -2.290 -6.018) 7.420 19.269 ( -6.324 -4.595 -7.537) 10.859 21.589 ( -3.567 1.755 0.012) 3.975 21.793 ( -5.815 -3.374 0.531) 6.744 22.105 ( -10.557 4.632 0.696) 11.550 22.157 ( -7.090 2.329 -0.092) 7.464 23.060 ( 15.222 -1.245 2.236) 15.436 23.106 ( 11.619 -3.247 2.316) 12.284 23.494 ( 9.950 4.444 -3.107) 11.332 23.585 ( 10.056 3.314 -7.237) 12.825 ======================= Grid point 115 (62/72) ======================= q-point: ( 0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.905 ( 10.868 5.594 5.957) 13.597 2.035 ( -2.073 4.980 -5.594) 7.771 2.068 ( -6.667 3.932 0.280) 7.745 2.213 ( -0.243 2.669 -2.602) 3.735 2.330 ( 2.052 7.466 3.337) 8.431 2.370 ( 9.056 10.859 -3.141) 14.484 2.512 ( -4.106 6.625 -2.072) 8.065 2.548 ( -9.545 8.746 -1.068) 12.990 2.857 ( 1.075 -2.239 2.618) 3.609 2.902 ( 2.196 -6.095 4.128) 7.682 2.931 ( -1.332 -5.023 -0.575) 5.228 3.064 ( -1.467 -3.057 -2.862) 4.437 3.234 ( 1.707 -1.621 0.534) 2.414 3.252 ( 1.637 -2.054 -0.507) 2.675 3.264 ( 4.226 -4.627 -2.360) 6.696 3.309 ( -3.663 -5.283 -0.488) 6.447 3.383 ( -1.771 -6.484 4.878) 8.305 3.477 ( 1.866 -1.502 -6.846) 7.253 3.508 ( 9.350 -7.243 -2.032) 12.001 3.674 ( -5.684 -1.094 0.763) 5.838 3.848 ( 9.560 1.421 1.587) 9.795 3.962 ( 9.459 2.888 2.520) 10.206 4.042 ( -4.676 -0.042 -0.030) 4.676 4.193 ( -1.101 -0.813 -1.650) 2.144 4.282 ( 1.679 -0.074 4.886) 5.167 4.363 ( 3.083 0.606 0.053) 3.143 4.393 ( 9.941 0.115 -1.421) 10.043 4.531 ( 5.645 -4.025 -2.203) 7.275 4.640 ( -7.272 -1.211 2.997) 7.958 4.719 ( -6.982 2.315 -0.932) 7.415 4.849 ( -1.690 -2.959 2.434) 4.188 4.925 ( -5.163 0.808 -1.141) 5.349 5.087 ( -4.780 5.003 9.359) 11.639 5.134 ( 5.758 4.524 -3.030) 7.925 5.328 ( -1.442 5.244 4.727) 7.206 5.541 ( -4.288 1.529 -9.691) 10.707 5.856 ( 2.170 -2.104 2.953) 4.226 5.909 ( -0.764 -3.371 0.109) 3.458 6.181 ( 1.050 -0.043 3.114) 3.287 6.275 ( -0.815 -1.569 -3.329) 3.769 6.890 ( 5.339 7.182 -0.298) 8.954 6.954 ( 0.004 6.652 -0.645) 6.684 7.039 ( 1.796 2.343 -2.762) 4.043 7.086 ( -6.535 2.690 0.736) 7.105 7.210 ( -3.441 -2.539 0.244) 4.283 7.271 ( -3.365 -0.743 -5.626) 6.598 7.352 ( 2.211 -4.640 -1.642) 5.395 7.368 ( -2.880 -7.061 -0.188) 7.628 7.523 ( -2.194 1.410 -0.513) 2.658 7.561 ( -3.302 -1.123 -1.866) 3.956 7.718 ( -2.281 -4.428 3.385) 6.022 7.853 ( -3.853 -2.751 -4.145) 6.293 8.095 ( 3.621 0.006 3.929) 5.343 8.193 ( 2.892 3.436 -2.835) 5.311 8.278 ( 1.842 -2.458 5.859) 6.616 8.332 ( 4.638 0.384 -2.893) 5.480 8.448 ( 3.670 -0.312 0.379) 3.703 8.540 ( -2.505 -0.466 2.645) 3.673 8.594 ( -0.979 -6.394 0.887) 6.529 8.658 ( -7.119 -0.492 -2.240) 7.479 8.934 ( -1.369 -1.027 8.299) 8.474 9.060 ( 1.556 0.953 -3.540) 3.983 9.162 ( -1.752 -3.332 14.751) 15.223 9.374 ( -1.273 -4.442 5.109) 6.889 9.486 ( 2.731 0.466 -4.939) 5.663 9.561 ( 5.743 -3.278 -8.569) 10.824 9.738 ( 0.062 -1.522 -4.764) 5.001 9.846 ( -3.843 -3.040 -6.517) 8.154 10.626 ( 13.257 6.445 10.583) 18.146 10.799 ( 5.689 0.973 -0.009) 5.772 10.826 ( -0.876 3.999 2.539) 4.817 11.016 ( -7.420 -7.589 -0.226) 10.616 11.378 ( -2.887 15.470 -3.089) 16.037 11.423 ( -4.622 3.183 1.878) 5.918 11.676 ( 4.051 -2.126 4.609) 6.494 11.745 ( 4.227 9.242 -5.376) 11.498 12.007 ( 4.195 1.547 0.739) 4.532 12.140 ( 0.118 -1.184 -3.212) 3.425 12.381 ( -4.145 -8.322 4.164) 10.187 12.509 ( -3.824 -6.176 -11.603) 13.689 13.095 ( 4.583 5.002 11.393) 13.260 13.357 ( 0.695 4.235 -3.486) 5.529 13.514 ( 9.869 -5.696 -0.026) 11.394 13.592 ( 8.461 -0.612 1.085) 8.552 13.858 ( -12.174 2.201 0.602) 12.386 13.946 ( -9.361 3.392 -7.324) 12.360 14.169 ( 1.783 -7.288 4.477) 8.737 14.339 ( -8.169 -8.475 -3.463) 12.270 14.730 ( 11.755 -2.042 -3.140) 12.337 14.888 ( 7.295 -2.952 -3.614) 8.660 14.952 ( -3.147 -1.598 4.116) 5.422 15.149 ( -5.332 -4.633 -3.879) 8.059 17.302 ( 1.584 1.757 10.736) 10.994 17.401 ( -1.053 -2.026 8.326) 8.634 17.620 ( -2.181 1.743 -5.600) 6.257 17.664 ( -2.584 1.499 -5.725) 6.458 18.924 ( -1.032 1.674 7.358) 7.616 19.059 ( -2.968 -2.447 8.283) 9.133 19.127 ( -4.206 -1.156 -6.346) 7.701 19.203 ( -0.233 -1.999 -7.252) 7.526 21.581 ( 2.451 -1.070 0.205) 2.682 21.674 ( -6.201 -3.143 -0.055) 6.952 21.989 ( -1.397 2.809 0.300) 3.152 22.033 ( -5.037 1.391 0.103) 5.227 23.250 ( 4.717 -1.294 4.598) 6.713 23.281 ( 4.856 -2.521 3.696) 6.603 23.644 ( 4.912 3.317 -3.959) 7.128 23.711 ( 3.374 1.536 -8.296) 9.087 ======================= Grid point 116 (63/72) ======================= q-point: (-0.43 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.812 ( -9.307 8.491 9.879) 16.010 2.047 ( -4.140 3.332 -5.578) 7.704 2.175 ( 8.113 1.724 -2.531) 8.672 2.186 ( 6.463 1.777 -3.883) 7.746 2.300 ( -11.237 11.698 3.257) 16.545 2.409 ( -3.646 7.651 -3.587) 9.203 2.513 ( 8.221 8.032 -1.644) 11.610 2.548 ( 7.355 9.484 -1.580) 12.105 2.860 ( -0.629 -2.478 2.198) 3.372 2.912 ( -0.576 -5.894 -1.356) 6.075 2.967 ( 3.709 -3.192 5.154) 7.107 3.039 ( -0.961 -4.535 -3.119) 5.587 3.181 ( -5.422 -5.332 4.276) 8.724 3.192 ( -4.007 -2.265 0.348) 4.616 3.277 ( -4.788 -5.021 -0.991) 7.008 3.352 ( 3.790 -9.052 -2.209) 10.059 3.369 ( 3.781 0.870 -0.588) 3.924 3.500 ( -9.263 0.389 0.014) 9.272 3.551 ( 2.665 -5.346 -8.374) 10.286 3.672 ( 4.339 -7.320 -0.047) 8.509 3.835 ( -12.485 5.153 1.201) 13.560 4.011 ( 2.033 2.400 2.083) 3.772 4.059 ( -3.538 -0.734 4.582) 5.836 4.093 ( -1.302 -4.285 -2.994) 5.387 4.256 ( 0.239 -0.456 5.187) 5.212 4.363 ( -11.429 -3.046 2.279) 12.045 4.453 ( -7.970 3.144 2.618) 8.959 4.480 ( -2.733 0.789 -4.601) 5.409 4.656 ( 4.151 -2.250 2.836) 5.508 4.712 ( 10.364 3.841 -2.743) 11.388 4.888 ( 2.989 -4.700 0.434) 5.587 4.910 ( 2.451 4.336 3.264) 5.955 5.004 ( -1.646 2.501 1.320) 3.272 5.248 ( 6.013 3.205 1.546) 6.987 5.345 ( 2.889 5.383 2.891) 6.758 5.507 ( 0.875 1.304 -9.139) 9.273 5.839 ( -3.000 -2.400 3.552) 5.233 5.897 ( -1.021 -3.635 1.785) 4.176 6.212 ( 1.833 0.719 0.627) 2.067 6.286 ( 1.791 -1.237 -4.296) 4.816 6.869 ( -3.766 6.691 0.274) 7.683 6.967 ( -4.988 4.579 0.787) 6.816 7.041 ( 4.364 4.470 -3.729) 7.275 7.101 ( 3.851 3.784 1.781) 5.685 7.158 ( -0.830 -2.438 -0.168) 2.581 7.272 ( 3.374 -2.764 -4.188) 6.047 7.330 ( -0.156 -4.106 -1.047) 4.240 7.421 ( 4.484 -5.675 -2.765) 7.743 7.492 ( 0.027 -2.521 0.225) 2.531 7.597 ( 5.773 1.578 -3.267) 6.818 7.750 ( 3.947 -0.418 4.953) 6.347 7.796 ( -0.048 -5.112 -3.384) 6.131 8.107 ( -3.840 0.882 3.792) 5.468 8.197 ( -1.059 2.193 -3.892) 4.591 8.251 ( -3.606 -0.072 4.133) 5.485 8.381 ( -4.509 -3.139 -2.884) 6.205 8.452 ( 1.055 -0.509 0.330) 1.217 8.562 ( -1.950 0.049 0.192) 1.960 8.594 ( 6.527 -1.701 -0.065) 6.745 8.636 ( 4.324 -4.307 0.124) 6.104 8.918 ( -0.782 -3.569 9.673) 10.340 9.053 ( -1.486 0.199 -2.506) 2.920 9.078 ( -4.211 -5.091 17.168) 18.396 9.377 ( -0.405 2.620 1.427) 3.011 9.502 ( -1.598 -0.200 -2.050) 2.607 9.642 ( -4.771 -5.508 -2.012) 7.560 9.725 ( 6.203 -3.561 -13.021) 14.857 9.838 ( 3.209 0.061 -5.751) 6.586 10.681 ( -8.386 6.030 5.987) 11.939 10.797 ( -11.537 -0.107 -3.011) 11.924 10.884 ( 8.792 0.697 8.443) 12.209 10.977 ( 7.605 -0.754 -6.954) 10.332 11.310 ( -2.503 7.468 6.960) 10.511 11.379 ( -1.607 8.247 1.566) 8.546 11.696 ( -1.874 2.154 1.722) 3.334 11.838 ( 3.939 7.656 -10.841) 13.844 12.012 ( -4.114 -3.986 1.187) 5.850 12.123 ( -0.199 -1.192 4.341) 4.506 12.233 ( -7.171 -6.701 1.457) 9.922 12.573 ( 7.067 -4.670 -8.357) 11.899 13.162 ( 0.586 3.436 12.845) 13.310 13.292 ( -5.790 5.136 -5.670) 9.594 13.545 ( -12.409 0.906 -2.947) 12.786 13.612 ( -3.430 -7.648 0.861) 8.426 13.805 ( 7.857 5.499 3.942) 10.369 13.916 ( 7.820 0.215 -3.567) 8.598 14.271 ( 6.106 -6.955 -1.985) 9.465 14.306 ( 7.525 -7.779 -3.740) 11.451 14.670 ( -16.732 -1.269 2.618) 16.983 14.866 ( -2.997 -6.852 -1.287) 7.589 14.999 ( -0.049 -0.560 -0.293) 0.633 15.163 ( 6.866 -2.603 -5.405) 9.118 17.320 ( -0.477 0.862 10.553) 10.598 17.388 ( -0.079 -0.590 8.403) 8.424 17.608 ( 1.230 2.620 -5.252) 5.997 17.667 ( 2.919 -0.265 -5.567) 6.292 18.947 ( 3.099 0.779 8.823) 9.384 19.041 ( 0.993 -0.831 7.313) 7.427 19.083 ( 0.088 0.252 -6.748) 6.754 19.243 ( 4.287 -3.794 -7.406) 9.360 21.578 ( -2.558 -0.955 0.428) 2.764 21.676 ( 6.277 -3.333 -0.237) 7.111 21.993 ( 1.569 2.718 -0.035) 3.139 22.033 ( 5.227 1.586 0.130) 5.464 23.236 ( -6.303 -0.952 5.738) 8.577 23.277 ( -5.308 -2.597 3.624) 6.932 23.643 ( -4.722 3.469 -4.131) 7.169 23.729 ( -1.634 1.062 -9.043) 9.250 ======================= Grid point 117 (64/72) ======================= q-point: (-0.29 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.703 ( -1.894 14.225 16.770) 22.072 1.951 ( -6.022 10.898 0.889) 12.483 2.068 ( -7.392 13.176 -5.592) 16.109 2.202 ( -5.791 10.094 -8.332) 14.312 2.341 ( 9.224 -0.405 -2.121) 9.474 2.496 ( 8.645 0.527 -1.994) 8.888 2.614 ( 1.930 6.227 -1.045) 6.602 2.673 ( 5.392 5.147 -1.932) 7.700 2.850 ( 0.044 -3.413 4.453) 5.611 2.895 ( -1.847 -4.955 -0.138) 5.290 2.995 ( -2.982 -0.075 0.222) 2.991 3.014 ( -1.995 -6.093 1.485) 6.581 3.074 ( -2.891 -6.697 2.412) 7.683 3.153 ( -1.896 -1.646 0.136) 2.515 3.213 ( 0.099 -2.986 -6.877) 7.498 3.291 ( -10.499 3.018 6.326) 12.624 3.378 ( -5.413 -2.995 3.000) 6.876 3.430 ( 2.372 0.223 -0.620) 2.462 3.522 ( -9.382 -3.563 1.866) 10.207 3.614 ( 2.203 -2.186 -8.171) 8.741 3.716 ( -1.832 -5.710 -2.967) 6.690 3.890 ( -11.330 0.283 -5.967) 12.808 3.908 ( -10.696 -0.829 -0.145) 10.729 4.117 ( -2.345 2.732 7.445) 8.270 4.141 ( -13.680 -1.314 0.080) 13.743 4.220 ( 1.682 -0.900 -1.519) 2.438 4.438 ( 0.819 -1.565 1.361) 2.229 4.456 ( 7.256 -2.517 3.658) 8.506 4.733 ( 2.157 -0.184 1.030) 2.397 4.817 ( -6.040 0.933 5.962) 8.538 4.871 ( 4.041 5.030 -1.128) 6.550 4.948 ( 3.251 -0.790 -0.143) 3.349 5.110 ( 7.473 -0.433 -5.903) 9.533 5.383 ( 7.771 -1.474 3.021) 8.467 5.429 ( 4.226 3.397 4.463) 7.022 5.521 ( 0.300 2.877 -5.625) 6.325 5.797 ( -0.644 -3.166 0.772) 3.322 5.868 ( -1.588 -5.176 2.344) 5.900 6.245 ( 1.490 -0.182 -0.070) 1.502 6.316 ( 1.104 -2.279 -3.907) 4.656 6.831 ( -0.466 8.886 -2.129) 9.150 6.878 ( -4.151 2.264 0.669) 4.775 7.056 ( -0.664 0.364 -0.144) 0.771 7.159 ( 2.394 1.345 5.972) 6.573 7.198 ( 4.284 2.464 -0.822) 5.009 7.358 ( 4.647 -5.344 -1.734) 7.291 7.415 ( 7.440 0.566 -5.807) 9.455 7.510 ( 4.686 -4.443 -2.839) 7.055 7.530 ( 3.851 0.059 1.527) 4.143 7.746 ( 8.421 3.527 -3.553) 9.797 7.794 ( 2.664 -6.701 2.487) 7.628 7.885 ( 4.106 3.368 0.470) 5.331 7.980 ( -5.918 -4.084 3.068) 7.817 8.126 ( -4.762 2.217 -0.468) 5.273 8.210 ( -1.919 1.879 -1.214) 2.948 8.293 ( -2.777 -1.791 0.194) 3.310 8.447 ( -3.417 -4.283 2.307) 5.945 8.490 ( -3.459 -5.055 -4.304) 7.486 8.695 ( 4.365 -1.157 -0.372) 4.531 8.775 ( 6.430 -2.396 3.543) 7.723 8.919 ( 1.614 0.549 5.452) 5.712 9.035 ( 0.714 -0.323 0.821) 1.135 9.053 ( 0.168 -2.110 10.615) 10.824 9.313 ( -7.289 5.258 0.345) 8.994 9.399 ( -6.332 1.322 -3.433) 7.323 9.560 ( -0.790 -7.212 4.005) 8.287 9.859 ( 1.625 -0.502 -4.330) 4.652 9.937 ( 9.763 -2.492 -14.784) 17.891 10.462 ( -13.549 8.440 3.986) 16.453 10.577 ( -9.543 7.663 -6.494) 13.855 11.020 ( 4.247 -3.717 6.375) 8.514 11.089 ( 3.715 4.883 -2.149) 6.501 11.273 ( -2.797 -5.724 7.161) 9.585 11.355 ( -0.440 11.561 4.667) 12.476 11.642 ( -3.285 1.467 4.871) 6.055 11.805 ( -5.984 7.631 -9.883) 13.846 11.884 ( -7.168 -1.816 -7.781) 10.734 12.097 ( -4.723 -6.264 1.094) 7.921 12.241 ( 7.534 0.778 4.522) 8.821 12.694 ( 4.463 -2.232 -5.356) 7.321 13.120 ( -3.414 -0.982 11.614) 12.145 13.214 ( -1.470 1.176 -2.893) 3.451 13.332 ( -7.792 1.151 -4.227) 8.939 13.484 ( -6.279 -6.437 -2.986) 9.475 14.001 ( 9.711 3.895 7.210) 12.707 14.114 ( 6.621 4.495 3.488) 8.730 14.301 ( -10.070 2.367 -3.587) 10.948 14.385 ( -1.734 -5.637 -9.838) 11.471 14.491 ( 6.095 -3.026 5.089) 8.497 14.746 ( -0.955 -5.080 -3.911) 6.482 15.037 ( 0.755 -6.215 0.049) 6.261 15.222 ( -0.824 -4.914 -2.525) 5.585 17.315 ( 0.443 -0.603 6.601) 6.644 17.396 ( 0.519 -1.501 8.396) 8.544 17.666 ( 4.499 2.770 -3.061) 6.106 17.747 ( 4.986 -1.632 -3.708) 6.425 19.038 ( 5.779 -1.512 9.685) 11.379 19.093 ( 3.847 -1.116 7.913) 8.869 19.127 ( 4.370 -0.347 -6.893) 8.169 19.348 ( 6.333 -7.679 -7.595) 12.521 21.584 ( 3.401 1.869 0.450) 3.907 21.799 ( 6.171 -3.726 0.007) 7.209 22.110 ( 10.297 4.843 0.265) 11.382 22.162 ( 7.717 2.476 -0.522) 8.121 23.019 ( -16.343 -0.096 5.284) 17.177 23.100 ( -11.966 -3.676 2.463) 12.758 23.496 ( -9.643 4.766 -3.342) 11.264 23.623 ( -9.269 2.055 -9.550) 13.466 ======================= Grid point 118 (65/72) ======================= q-point: (-0.14 0.29 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.742 ( 4.369 17.486 19.661) 26.672 1.808 ( -6.789 18.792 13.423) 24.071 2.048 ( 3.591 12.590 -16.365) 20.957 2.094 ( -4.446 13.697 -12.136) 18.832 2.469 ( 1.037 3.890 -0.571) 4.066 2.588 ( -0.848 2.032 1.719) 2.793 2.618 ( 0.033 4.786 1.863) 5.136 2.693 ( -1.070 -0.857 4.425) 4.633 2.808 ( -5.124 1.223 7.419) 9.099 2.877 ( 0.908 -1.723 3.403) 3.921 2.958 ( -1.135 -5.118 -2.899) 5.991 2.982 ( 2.295 1.248 -0.839) 2.744 3.046 ( -4.030 -3.382 0.308) 5.270 3.065 ( -3.300 -0.609 0.884) 3.470 3.159 ( -0.991 -4.389 -6.565) 7.959 3.227 ( -4.807 -3.617 -2.535) 6.528 3.285 ( 3.008 0.330 -1.928) 3.588 3.424 ( -4.277 -5.144 2.469) 7.130 3.461 ( 0.468 -2.495 -1.011) 2.732 3.573 ( -8.237 4.057 -11.836) 14.980 3.683 ( -4.193 -1.481 2.324) 5.018 3.704 ( -2.230 -8.975 -3.517) 9.894 3.802 ( 3.312 -0.879 -1.500) 3.741 3.886 ( -11.875 -3.837 -1.645) 12.587 4.114 ( -0.707 2.020 6.873) 7.199 4.169 ( -4.551 2.035 -0.115) 4.987 4.526 ( 4.455 -0.873 2.079) 4.993 4.569 ( 2.253 -6.584 4.924) 8.525 4.702 ( 1.422 -0.761 -2.226) 2.749 4.802 ( 0.885 -4.230 -0.170) 4.325 4.910 ( 1.249 5.514 4.409) 7.170 5.002 ( 1.546 2.596 -3.230) 4.423 5.225 ( 4.580 0.478 -2.726) 5.351 5.418 ( -4.387 -0.291 -1.434) 4.625 5.502 ( 3.215 -4.040 9.621) 10.918 5.583 ( 5.859 2.346 -4.440) 7.716 5.812 ( 1.597 -3.080 -1.178) 3.664 5.844 ( -1.009 -5.075 1.655) 5.432 6.261 ( -0.070 -2.177 2.511) 3.324 6.331 ( 0.837 -3.384 -4.645) 5.808 6.780 ( -3.272 4.589 0.820) 5.696 6.851 ( -0.682 3.470 -4.101) 5.416 7.082 ( 4.347 -1.044 0.543) 4.504 7.203 ( 1.130 4.951 8.907) 10.254 7.315 ( 8.017 -0.021 -0.206) 8.020 7.422 ( 1.098 -3.782 -0.597) 3.983 7.512 ( 2.581 -1.721 -6.747) 7.426 7.580 ( 1.444 -4.366 -2.133) 5.069 7.642 ( 7.157 3.975 2.498) 8.559 7.764 ( -4.403 1.143 -0.582) 4.586 7.840 ( 1.652 1.780 -1.119) 2.674 7.911 ( -1.580 1.294 5.485) 5.853 7.981 ( 3.086 0.037 -1.331) 3.361 8.099 ( 3.376 -3.099 1.828) 4.934 8.155 ( -3.860 2.329 -1.602) 4.784 8.309 ( 2.670 -2.155 -3.176) 4.675 8.376 ( -1.074 -1.223 1.944) 2.536 8.442 ( -0.723 -7.084 -2.843) 7.667 8.699 ( -4.957 -5.114 0.705) 7.157 8.814 ( -3.299 -4.522 -2.029) 5.954 8.956 ( 0.457 2.226 6.802) 7.172 9.064 ( 2.127 5.317 0.237) 5.731 9.120 ( 3.653 5.422 4.367) 7.862 9.198 ( 3.353 0.616 2.328) 4.128 9.333 ( -3.133 2.718 2.843) 5.028 9.561 ( 0.481 -4.650 -0.145) 4.678 9.865 ( 0.020 1.441 -3.303) 3.604 10.019 ( -4.696 -4.796 -10.880) 12.784 10.303 ( 0.033 12.549 0.569) 12.562 10.410 ( -7.498 11.503 -7.298) 15.550 11.041 ( -2.767 -2.557 8.913) 9.677 11.125 ( 0.756 8.503 3.135) 9.094 11.227 ( 0.232 -9.084 -1.695) 9.244 11.355 ( -0.057 3.460 11.822) 12.318 11.564 ( -5.264 2.922 0.855) 6.081 11.679 ( -5.403 7.697 -1.944) 9.603 11.800 ( -1.471 -2.412 -12.175) 12.499 11.985 ( -5.978 -2.301 -7.245) 9.671 12.376 ( 5.197 2.553 5.890) 8.260 12.714 ( -1.798 -1.071 -7.733) 8.012 13.103 ( 1.383 -1.577 12.848) 13.018 13.220 ( 1.094 -0.826 0.601) 1.497 13.288 ( 4.239 -1.950 -6.903) 8.332 13.432 ( 0.382 -6.110 -2.682) 6.684 13.894 ( -14.849 8.172 3.026) 17.217 14.029 ( -11.558 5.677 -5.302) 13.926 14.313 ( 6.099 2.164 10.538) 12.366 14.451 ( 8.589 -2.231 -6.746) 11.147 14.613 ( 5.457 -2.393 5.931) 8.408 14.801 ( 1.288 -7.415 -4.707) 8.877 15.040 ( 1.285 -6.944 -2.360) 7.446 15.158 ( -4.703 -5.421 -1.406) 7.313 17.336 ( 0.995 -0.903 6.693) 6.827 17.410 ( 0.784 -2.406 4.285) 4.976 17.759 ( 4.668 0.601 0.330) 4.718 17.836 ( 3.892 -2.958 -3.169) 5.826 19.131 ( 2.725 -0.083 6.673) 7.209 19.195 ( 6.275 -8.009 12.113) 15.819 19.222 ( 4.863 -1.543 -6.576) 8.323 19.459 ( 4.769 -13.112 -7.457) 15.820 21.709 ( 9.332 4.078 1.014) 10.234 21.911 ( 5.245 -2.022 -0.127) 5.623 22.258 ( 3.711 5.580 0.327) 6.710 22.387 ( 15.514 3.881 -0.916) 16.018 22.644 ( -21.149 2.496 2.852) 21.485 22.879 ( -9.978 -5.352 0.444) 11.332 23.304 ( -9.480 6.263 -1.674) 11.485 23.394 ( -12.844 6.241 -8.591) 16.665 ======================= Grid point 119 (66/72) ======================= q-point: ( 0.00 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.100 ( -3.623 15.583 14.770) 21.774 2.178 ( 1.089 16.640 12.620) 20.913 2.326 ( 0.755 5.780 -3.081) 6.593 2.398 ( 4.281 6.336 -5.667) 9.518 2.426 ( -5.329 -2.547 3.663) 6.950 2.555 ( 0.976 -4.764 3.711) 6.117 2.566 ( 4.541 -4.799 -5.560) 8.635 2.662 ( 0.894 -6.172 -3.019) 6.929 2.775 ( -0.520 -0.264 -3.085) 3.139 2.797 ( -1.725 -3.328 -3.716) 5.279 2.932 ( -1.386 3.343 1.698) 3.998 2.992 ( -4.201 0.509 -1.678) 4.552 3.000 ( -0.949 -2.117 0.111) 2.322 3.071 ( 0.642 -0.983 -5.049) 5.183 3.085 ( -3.244 3.138 0.491) 4.541 3.180 ( 4.177 8.915 -5.888) 11.472 3.285 ( -0.982 -7.235 2.814) 7.825 3.347 ( 1.178 -4.123 -2.758) 5.098 3.421 ( 2.912 -0.230 0.223) 2.930 3.433 ( -1.922 -3.912 -0.595) 4.399 3.600 ( 4.651 4.489 2.995) 7.124 3.683 ( -2.764 2.626 1.678) 4.165 3.804 ( 1.906 3.859 -4.242) 6.043 3.829 ( -0.064 -0.081 -0.555) 0.565 4.128 ( -2.410 2.970 4.896) 6.213 4.165 ( 2.999 0.569 0.750) 3.143 4.353 ( -1.507 -9.494 1.765) 9.774 4.367 ( -1.563 -13.439 1.565) 13.620 4.735 ( 1.830 0.734 -2.683) 3.330 4.761 ( 1.971 -1.130 -5.216) 5.689 5.042 ( -4.245 2.823 1.059) 5.207 5.063 ( 0.769 1.745 -1.143) 2.223 5.266 ( -2.564 0.385 7.759) 8.181 5.324 ( 2.956 -3.048 4.175) 5.955 5.506 ( -0.539 4.110 -0.843) 4.231 5.609 ( 0.876 -4.496 -7.183) 8.519 5.814 ( 0.537 0.862 1.570) 1.870 5.821 ( 0.023 0.162 0.916) 0.931 6.203 ( -1.080 -0.257 1.301) 1.710 6.247 ( -0.154 -4.082 -2.541) 4.811 6.842 ( 0.715 4.102 0.155) 4.167 6.877 ( -1.068 1.221 -3.111) 3.509 7.166 ( 2.473 0.868 5.202) 5.825 7.250 ( -1.003 -5.442 -0.442) 5.551 7.337 ( 1.114 3.858 0.946) 4.125 7.409 ( 1.009 -2.722 -1.451) 3.245 7.466 ( -2.232 -1.945 0.425) 2.991 7.480 ( -2.684 -2.161 -3.117) 4.647 7.758 ( 1.921 2.124 -0.200) 2.871 7.811 ( 0.657 -1.807 -4.968) 5.327 7.881 ( -4.981 1.570 4.019) 6.590 7.893 ( 2.388 0.442 4.082) 4.750 8.081 ( 4.219 2.587 -0.484) 4.973 8.085 ( -1.830 1.437 -2.029) 3.087 8.225 ( 2.381 1.306 1.007) 2.896 8.271 ( -3.120 3.529 -2.715) 5.437 8.311 ( 8.006 -5.018 4.829) 10.611 8.402 ( -8.308 -6.414 -1.659) 10.626 8.591 ( -0.555 -0.120 0.445) 0.721 8.610 ( 0.772 0.381 -1.679) 1.887 9.069 ( 0.826 7.153 7.733) 10.566 9.212 ( -2.888 -3.676 1.371) 4.871 9.251 ( 1.208 5.048 0.546) 5.219 9.293 ( 1.890 2.614 6.190) 6.980 9.362 ( 2.275 0.824 6.098) 6.560 9.440 ( -1.932 -6.367 -7.862) 10.300 9.895 ( -0.476 0.601 -7.940) 7.977 9.903 ( -0.118 0.278 -7.795) 7.801 10.461 ( -2.629 4.102 -0.991) 4.972 10.481 ( -2.368 1.998 -2.027) 3.702 11.024 ( 3.873 4.830 10.056) 11.809 11.153 ( 7.419 -6.687 1.953) 10.177 11.255 ( -4.124 4.248 5.266) 7.923 11.323 ( -4.615 -2.058 6.157) 7.965 11.555 ( -0.917 4.484 -9.820) 10.834 11.647 ( 0.832 -4.692 -13.557) 14.370 11.844 ( 1.215 7.054 3.896) 8.149 11.922 ( 1.184 -0.581 -2.115) 2.493 12.513 ( 1.204 2.385 1.691) 3.162 12.589 ( -2.257 -4.451 -4.263) 6.563 13.179 ( 0.951 2.529 5.522) 6.147 13.195 ( -1.184 -0.831 2.291) 2.710 13.301 ( 0.096 -1.346 -2.563) 2.896 13.359 ( 3.130 -4.204 -5.910) 7.899 13.950 ( -1.433 7.063 0.395) 7.218 13.967 ( -2.344 5.145 -1.221) 5.784 14.373 ( 0.580 -1.182 4.355) 4.549 14.444 ( 1.920 -7.378 -2.417) 7.998 14.634 ( 1.307 -0.381 9.354) 9.452 14.672 ( -0.341 -2.917 6.151) 6.816 14.986 ( -0.336 -1.463 -6.850) 7.013 15.004 ( -1.348 -2.734 -8.206) 8.754 17.345 ( -0.457 0.887 7.400) 7.467 17.374 ( 0.053 -1.878 5.749) 6.048 17.788 ( 0.276 -0.329 -2.164) 2.206 17.814 ( 0.538 -2.522 -3.727) 4.532 19.145 ( -0.898 -0.488 5.444) 5.539 19.150 ( -0.273 -1.372 6.116) 6.274 19.244 ( 0.965 -1.195 -4.470) 4.726 19.277 ( -0.135 -5.259 -5.584) 7.672 21.915 ( 0.900 1.519 2.284) 2.887 21.938 ( -0.958 -0.567 0.267) 1.145 22.429 ( -4.398 4.802 2.092) 6.839 22.472 ( 3.789 3.477 -1.351) 5.317 22.571 ( -1.661 -1.342 2.040) 2.953 22.648 ( 3.111 -5.784 -4.670) 8.059 23.327 ( -0.565 4.865 -0.498) 4.923 23.361 ( -0.232 1.866 -3.958) 4.382 ======================= Grid point 120 (67/72) ======================= q-point: ( 0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -3.749 14.995 12.674) 19.988 2.205 ( 2.039 16.511 8.817) 18.828 2.269 ( -6.270 -5.856 3.699) 9.343 2.386 ( 2.340 12.928 -5.324) 14.176 2.450 ( -0.523 0.468 -5.390) 5.435 2.557 ( -2.932 -2.542 -0.223) 3.886 2.612 ( 0.151 -2.268 -2.918) 3.699 2.664 ( 0.132 -5.913 6.186) 8.559 2.759 ( -1.306 -4.505 -2.014) 5.105 2.766 ( 1.178 -2.450 -6.107) 6.685 2.931 ( 0.214 -0.026 1.626) 1.640 2.978 ( 0.227 -4.438 -0.802) 4.516 3.013 ( 3.761 2.974 -1.236) 4.952 3.031 ( -0.952 6.617 1.015) 6.762 3.097 ( 3.101 -4.073 -2.714) 5.794 3.237 ( -1.434 -7.909 0.224) 8.041 3.299 ( 4.392 3.849 -2.680) 6.425 3.401 ( 2.716 -3.709 -2.940) 5.456 3.458 ( 3.971 5.049 3.558) 7.342 3.543 ( 5.339 -2.928 0.111) 6.090 3.665 ( 3.750 5.151 -1.640) 6.579 3.725 ( 5.521 -2.994 1.130) 6.381 3.806 ( 0.913 7.092 -6.265) 9.507 3.853 ( 7.035 3.834 -1.490) 8.149 4.118 ( 0.730 -0.707 3.525) 3.669 4.234 ( 3.177 -6.301 -1.079) 7.138 4.376 ( 3.489 -2.556 4.378) 6.154 4.410 ( 2.099 -9.479 3.976) 10.491 4.715 ( -2.759 1.183 -4.404) 5.330 4.773 ( 1.249 -2.765 -7.672) 8.250 4.966 ( -3.162 2.955 4.230) 6.052 5.039 ( -3.626 -3.064 2.654) 5.439 5.197 ( -3.967 7.000 5.255) 9.610 5.344 ( -2.691 -5.933 5.754) 8.692 5.512 ( 1.279 6.358 -2.016) 6.791 5.628 ( 1.172 -4.301 -6.806) 8.136 5.791 ( -1.871 1.381 0.818) 2.465 5.817 ( -0.366 -1.120 0.348) 1.229 6.187 ( -0.694 0.479 1.946) 2.121 6.241 ( -0.533 -4.235 -1.535) 4.536 6.893 ( 3.830 3.606 -0.939) 5.344 6.908 ( 4.562 2.381 -1.074) 5.257 7.120 ( -5.415 3.495 -0.360) 6.455 7.230 ( -1.588 -5.668 1.018) 5.973 7.348 ( -3.745 0.023 2.129) 4.308 7.364 ( -3.836 0.868 2.401) 4.608 7.422 ( -0.485 -2.772 -2.783) 3.958 7.455 ( -0.751 -3.245 -4.854) 5.887 7.736 ( -6.607 1.418 -1.236) 6.870 7.746 ( -3.587 1.407 -0.628) 3.904 7.834 ( -1.911 -0.223 1.063) 2.198 7.883 ( -2.976 -1.985 2.601) 4.423 8.049 ( -6.060 0.564 -0.741) 6.131 8.085 ( -0.453 -1.721 2.489) 3.060 8.210 ( 1.341 6.686 -1.524) 6.988 8.296 ( 2.123 -0.117 -3.598) 4.180 8.340 ( 3.378 -3.318 0.224) 4.740 8.404 ( -1.973 -7.741 3.350) 8.662 8.551 ( 3.935 9.500 3.271) 10.790 8.743 ( 7.436 -6.230 -0.956) 9.748 9.087 ( 0.361 6.683 4.468) 8.048 9.168 ( -0.181 3.970 -0.900) 4.075 9.224 ( -3.475 2.219 2.910) 5.047 9.266 ( -6.916 3.144 1.318) 7.711 9.364 ( -2.185 -5.947 8.042) 10.237 9.382 ( 0.035 -6.935 -4.046) 8.029 9.883 ( -1.449 0.511 -9.340) 9.466 9.896 ( -2.024 -0.370 -7.266) 7.552 10.451 ( 2.343 5.345 3.189) 6.651 10.498 ( 4.507 0.361 3.065) 5.463 11.040 ( -3.354 5.970 2.985) 7.470 11.128 ( -6.126 -1.498 -2.552) 6.804 11.318 ( 7.053 -0.352 4.187) 8.210 11.375 ( 9.752 -6.023 11.332) 16.118 11.603 ( 4.720 6.383 -7.955) 11.238 11.687 ( 3.106 -1.729 -10.288) 10.885 11.914 ( 5.675 7.370 1.492) 9.421 11.988 ( 5.008 0.333 -6.697) 8.369 12.484 ( -5.219 -0.600 1.894) 5.585 12.544 ( -1.738 -5.214 0.277) 5.503 13.126 ( -3.509 2.018 4.161) 5.805 13.182 ( -1.203 -0.963 3.075) 3.439 13.284 ( 0.701 1.127 -3.692) 3.923 13.373 ( -0.862 -4.510 -6.037) 7.585 14.025 ( 6.445 5.473 3.705) 9.231 14.077 ( 9.935 1.931 1.506) 10.232 14.331 ( -2.954 2.744 -1.119) 4.184 14.471 ( 0.433 -8.032 -1.207) 8.133 14.606 ( -6.623 1.030 0.362) 6.712 14.629 ( -2.517 -2.182 2.517) 4.175 14.949 ( -1.639 -0.287 -3.372) 3.760 15.013 ( 1.959 -5.845 -2.476) 6.643 17.325 ( -1.404 1.379 7.487) 7.741 17.366 ( -0.909 -2.429 6.621) 7.111 17.770 ( -1.943 0.451 -3.401) 3.942 17.799 ( -1.866 -1.938 -4.287) 5.062 19.093 ( -4.321 0.288 5.031) 6.639 19.115 ( -3.204 -2.617 6.785) 7.947 19.229 ( -2.211 -1.230 -4.304) 4.992 19.252 ( -2.162 -3.572 -5.455) 6.869 21.798 ( -8.998 3.314 0.568) 9.605 21.857 ( -6.879 -2.234 0.920) 7.291 22.345 ( -6.347 3.765 0.848) 7.428 22.396 ( -11.409 -0.858 0.687) 11.462 22.728 ( 16.811 2.114 -0.495) 16.950 22.796 ( 11.878 -4.335 -0.897) 12.676 23.412 ( 8.095 4.347 -1.447) 9.302 23.451 ( 8.301 0.916 -3.577) 9.086 ======================= Grid point 121 (68/72) ======================= q-point: ( 0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.991 ( 0.303 11.990 7.853) 14.336 2.154 ( -4.092 -0.193 -2.692) 4.902 2.261 ( 0.763 5.250 3.583) 6.402 2.332 ( -9.847 -0.207 -3.706) 10.523 2.466 ( 4.648 9.973 -2.555) 11.295 2.473 ( -1.917 5.431 6.055) 8.357 2.604 ( 0.451 -1.640 3.260) 3.677 2.679 ( -1.750 -5.586 0.660) 5.891 2.758 ( 3.675 0.866 1.175) 3.954 2.857 ( 4.758 -3.080 -5.943) 8.212 2.935 ( 0.066 1.303 4.576) 4.758 2.971 ( -1.437 -1.270 -1.573) 2.480 3.029 ( 3.659 -5.810 -4.319) 8.112 3.109 ( 1.875 0.341 -4.027) 4.456 3.168 ( 4.515 -1.776 0.585) 4.887 3.231 ( 3.376 -6.881 -0.960) 7.725 3.328 ( -2.364 1.701 -0.295) 2.928 3.376 ( -5.181 -2.484 0.855) 5.809 3.504 ( 0.508 3.670 1.959) 4.191 3.594 ( 2.244 -4.046 -1.849) 4.983 3.812 ( 9.442 4.235 -3.900) 11.059 3.876 ( 6.327 4.218 2.382) 7.969 3.914 ( 10.899 1.313 -5.265) 12.175 4.046 ( 8.024 -4.251 -1.536) 9.210 4.177 ( 8.435 2.761 1.425) 8.989 4.323 ( 6.422 -4.116 3.853) 8.546 4.369 ( -3.671 -1.307 -1.560) 4.197 4.393 ( -2.174 -2.372 0.862) 3.331 4.675 ( -2.072 2.759 0.659) 3.513 4.813 ( -1.889 -8.315 0.883) 8.572 4.921 ( -2.590 3.545 1.651) 4.691 4.973 ( -0.234 -1.104 -0.794) 1.380 5.124 ( -2.193 6.415 3.142) 7.472 5.239 ( -6.680 -3.852 7.785) 10.958 5.516 ( -1.917 6.470 -1.015) 6.824 5.621 ( -2.733 -3.023 -6.035) 7.282 5.786 ( 2.246 1.480 0.753) 2.794 5.830 ( 1.899 -2.400 -0.178) 3.066 6.178 ( -0.195 0.821 1.533) 1.750 6.228 ( -0.609 -3.614 -1.307) 3.891 6.974 ( 3.761 4.781 -1.745) 6.328 7.014 ( 4.283 6.333 0.377) 7.655 7.044 ( 0.092 -0.531 -2.812) 2.863 7.171 ( -3.627 -5.478 -0.068) 6.570 7.239 ( -5.488 2.170 1.778) 6.164 7.304 ( -3.541 -2.659 1.492) 4.673 7.359 ( -6.172 -0.224 -3.902) 7.306 7.402 ( -5.577 -2.561 -8.020) 10.099 7.612 ( -5.113 2.416 -0.963) 5.737 7.648 ( -5.111 -0.354 1.434) 5.320 7.761 ( -7.544 -2.059 -1.811) 8.027 7.789 ( -4.492 -5.519 0.250) 7.120 8.002 ( 4.248 3.815 5.111) 7.663 8.124 ( 3.537 -6.277 5.652) 9.157 8.257 ( 2.529 3.700 0.948) 4.581 8.343 ( -1.227 -0.422 -0.109) 1.302 8.352 ( 3.326 1.316 -2.042) 4.119 8.434 ( 3.993 -3.873 -1.267) 5.705 8.605 ( -0.424 8.174 5.999) 10.148 8.825 ( -2.312 -7.795 -4.985) 9.537 9.070 ( -6.931 6.465 3.306) 10.038 9.088 ( 0.642 7.136 1.994) 7.437 9.182 ( 0.221 1.911 2.213) 2.932 9.224 ( -2.366 -8.312 6.750) 10.966 9.349 ( 5.300 -1.444 3.621) 6.580 9.426 ( 3.759 -4.243 -1.619) 5.895 9.802 ( -6.047 -0.121 -11.744) 13.210 9.829 ( -4.178 -2.820 -8.462) 9.850 10.555 ( 7.737 5.650 6.308) 11.470 10.627 ( 7.679 -1.491 4.874) 9.216 10.963 ( -4.037 2.688 2.889) 5.645 11.016 ( -5.166 -2.801 -0.260) 5.883 11.468 ( 7.203 2.388 4.126) 8.638 11.520 ( 3.516 -1.524 7.573) 8.487 11.694 ( 3.668 6.124 -7.467) 10.330 11.757 ( 4.904 0.896 -10.928) 12.011 12.030 ( 5.632 6.284 -2.399) 8.773 12.081 ( 4.795 0.371 -5.909) 7.619 12.346 ( -8.429 -0.178 3.706) 9.210 12.475 ( -6.283 -9.564 1.738) 11.574 13.124 ( 3.348 4.292 6.018) 8.115 13.201 ( 4.990 -2.674 5.763) 8.078 13.366 ( 7.901 -0.477 -2.648) 8.346 13.392 ( 3.652 -1.379 -5.628) 6.849 14.067 ( -3.256 1.296 4.549) 5.742 14.097 ( -7.721 -1.635 2.539) 8.290 14.328 ( -12.366 2.255 -6.969) 14.372 14.362 ( -4.638 -0.881 -0.770) 4.783 14.548 ( 5.148 1.990 -5.147) 7.546 14.643 ( 7.827 -5.533 -4.633) 10.646 14.951 ( 1.027 1.596 1.977) 2.740 15.051 ( 1.251 -6.829 0.565) 6.966 17.312 ( 0.213 1.682 8.455) 8.623 17.355 ( -0.114 -2.409 8.322) 8.664 17.718 ( -3.246 1.469 -5.165) 6.275 17.745 ( -3.464 -0.845 -5.430) 6.496 19.009 ( -3.929 1.322 5.561) 6.936 19.049 ( -3.320 -2.897 6.346) 7.726 19.174 ( -3.025 -0.414 -4.187) 5.182 19.199 ( -2.938 -2.391 -5.436) 6.626 21.648 ( -5.990 3.369 0.197) 6.875 21.721 ( -6.639 -3.465 0.368) 7.498 22.171 ( -10.368 1.827 0.465) 10.538 22.186 ( -9.158 0.362 0.158) 9.167 23.044 ( 14.301 -0.246 1.846) 14.422 23.055 ( 13.280 -1.442 1.978) 13.504 23.579 ( 8.358 3.229 -3.265) 9.537 23.618 ( 7.984 -0.257 -4.437) 9.138 ======================= Grid point 122 (69/72) ======================= q-point: ( 0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.043 ( 4.002 6.361 2.452) 7.905 2.117 ( 0.026 0.764 -4.461) 4.526 2.147 ( -7.381 3.426 0.802) 8.176 2.197 ( -4.881 -1.733 -1.432) 5.374 2.525 ( 6.076 7.767 8.219) 12.837 2.574 ( 4.694 6.029 -1.544) 7.795 2.618 ( -1.369 -0.033 3.605) 3.856 2.620 ( -2.453 -0.381 0.254) 2.495 2.825 ( 2.528 2.750 2.679) 4.597 2.875 ( -1.100 1.652 1.090) 2.265 2.939 ( 0.686 6.486 -2.667) 7.046 2.974 ( -0.771 -6.130 -1.516) 6.361 3.074 ( 1.033 -9.355 -1.581) 9.544 3.143 ( 2.712 -4.978 -7.777) 9.624 3.241 ( -5.268 -0.870 2.636) 5.954 3.245 ( -3.104 -2.107 -0.012) 3.752 3.290 ( 5.165 0.422 1.659) 5.441 3.361 ( 6.257 -5.768 -1.254) 8.601 3.501 ( 0.334 2.877 -3.909) 4.865 3.595 ( -3.347 -4.989 -3.830) 7.125 3.936 ( 3.462 4.387 1.506) 5.788 3.982 ( 6.634 -0.252 -0.110) 6.639 4.031 ( -4.206 -0.437 2.004) 4.680 4.076 ( -0.300 -5.735 -2.463) 6.249 4.349 ( 1.467 3.002 1.875) 3.831 4.403 ( 4.320 -0.146 -4.472) 6.220 4.441 ( 11.173 3.043 4.116) 12.290 4.459 ( 5.019 -0.228 3.820) 6.312 4.616 ( -1.842 0.329 0.784) 2.029 4.701 ( -3.548 -5.990 3.508) 7.796 4.827 ( -5.693 3.451 -3.076) 7.333 4.902 ( -8.335 -2.798 -2.674) 9.190 5.183 ( 2.487 3.178 7.683) 8.678 5.203 ( 4.815 1.397 6.948) 8.568 5.444 ( -3.755 5.332 -2.536) 6.997 5.532 ( -5.137 -2.494 -6.019) 8.297 5.845 ( 2.240 0.621 2.342) 3.300 5.864 ( 0.583 -1.153 1.596) 2.054 6.188 ( 1.421 0.892 -0.860) 1.886 6.227 ( 0.725 -2.554 -3.343) 4.269 7.018 ( 3.165 3.569 -3.172) 5.728 7.055 ( -0.593 1.648 -0.971) 2.002 7.092 ( 0.676 2.433 -1.009) 2.719 7.135 ( 0.051 -2.502 -2.031) 3.223 7.146 ( -3.392 2.793 2.091) 4.866 7.225 ( -5.138 -2.547 0.569) 5.763 7.254 ( -2.061 -2.050 -4.560) 5.408 7.282 ( -3.966 -2.905 -6.421) 8.087 7.559 ( -0.855 1.819 -0.506) 2.073 7.592 ( -1.942 5.064 0.021) 5.424 7.627 ( -2.082 -3.914 1.453) 4.665 7.741 ( -1.831 -7.469 -3.244) 8.346 8.122 ( 6.210 2.623 5.997) 9.023 8.197 ( 2.750 -4.045 6.866) 8.431 8.289 ( 0.487 3.056 -1.357) 3.379 8.347 ( 0.318 -1.373 -2.951) 3.271 8.422 ( 4.509 1.632 0.533) 4.824 8.491 ( 2.199 -3.870 -0.017) 4.451 8.556 ( -3.118 4.379 4.550) 7.043 8.660 ( -10.573 -2.176 -3.871) 11.468 8.975 ( -3.814 4.486 10.500) 12.038 9.105 ( -5.951 -4.864 18.347) 19.892 9.128 ( 0.511 4.357 -2.559) 5.079 9.245 ( 3.938 -5.049 6.074) 8.826 9.506 ( 7.116 1.101 -8.189) 10.904 9.525 ( 6.289 -0.001 -1.404) 6.444 9.692 ( -4.287 -1.293 -14.383) 15.064 9.746 ( -3.061 -5.664 -12.542) 14.097 10.714 ( 7.877 2.512 7.902) 11.437 10.765 ( 5.997 -2.774 5.098) 8.345 10.888 ( -4.001 2.270 2.881) 5.428 10.927 ( -4.207 -1.771 0.524) 4.595 11.522 ( -2.447 4.591 6.764) 8.533 11.584 ( 4.771 -0.836 4.169) 6.391 11.698 ( -2.120 9.864 -4.464) 11.033 11.857 ( 4.403 -2.200 -14.647) 15.452 12.109 ( -1.027 8.902 3.059) 9.468 12.140 ( 1.361 1.295 -2.964) 3.510 12.221 ( -2.631 -5.635 4.884) 7.908 12.338 ( -4.453 -9.926 -4.821) 11.899 13.231 ( 6.060 7.371 10.335) 14.067 13.366 ( 9.646 -4.548 8.556) 13.673 13.479 ( 3.322 2.925 -5.333) 6.931 13.551 ( 9.291 -3.210 -4.071) 10.640 13.896 ( -10.186 2.320 -2.057) 10.647 13.960 ( -8.230 -2.684 -4.648) 9.825 14.098 ( -5.480 1.138 -0.431) 5.613 14.178 ( -9.053 -6.054 -1.753) 11.031 14.718 ( 6.975 1.137 -2.652) 7.548 14.780 ( 1.657 -4.639 -2.190) 5.391 14.979 ( 3.477 2.303 0.149) 4.174 15.048 ( -1.006 -4.312 -1.765) 4.766 17.337 ( 1.619 1.516 10.818) 11.044 17.367 ( 0.713 -1.386 10.226) 10.344 17.657 ( -2.372 1.542 -6.881) 7.440 17.677 ( -2.857 -0.241 -7.172) 7.724 18.962 ( -0.945 1.905 5.988) 6.354 19.006 ( -1.102 -2.358 5.961) 6.504 19.121 ( -2.164 0.678 -4.568) 5.100 19.155 ( -1.091 -2.287 -5.517) 6.071 21.582 ( -0.752 0.999 0.173) 1.262 21.617 ( -3.951 -2.194 0.097) 4.520 22.033 ( -3.360 1.383 0.210) 3.640 22.048 ( -4.534 -0.020 0.154) 4.536 23.234 ( 5.076 -0.132 3.831) 6.361 23.244 ( 5.109 -1.068 3.555) 6.315 23.701 ( 3.904 1.997 -4.441) 6.241 23.725 ( 3.078 -0.245 -5.796) 6.567 ======================= Grid point 123 (70/72) ======================= q-point: (-0.43 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -3.499 8.227 5.430) 10.460 2.097 ( -1.509 -0.035 -2.237) 2.699 2.199 ( 6.122 0.515 -3.266) 6.958 2.203 ( 7.158 0.140 -2.272) 7.511 2.507 ( -7.238 6.600 4.965) 10.982 2.581 ( -2.286 5.480 0.663) 5.975 2.623 ( 1.764 0.673 0.593) 1.979 2.672 ( 4.615 3.009 1.941) 5.841 2.848 ( -0.875 0.401 5.354) 5.440 2.855 ( -0.520 1.728 -2.059) 2.738 2.932 ( -2.374 -5.305 -2.884) 6.488 2.969 ( 0.842 2.192 -0.963) 2.538 3.061 ( -2.172 -4.244 -1.591) 5.026 3.139 ( -1.276 -3.443 -4.988) 6.194 3.174 ( -0.816 0.180 0.634) 1.049 3.237 ( 1.782 -2.817 3.590) 4.899 3.374 ( -0.512 -2.760 -3.023) 4.125 3.396 ( -0.973 -5.229 -3.175) 6.195 3.503 ( -2.003 1.391 -4.196) 4.853 3.569 ( 4.409 -3.758 -2.495) 6.307 3.910 ( -8.175 2.041 1.845) 8.625 3.974 ( -2.835 -4.769 2.539) 6.101 4.061 ( -2.492 1.040 -1.468) 3.074 4.064 ( 2.729 1.383 -0.731) 3.146 4.251 ( -3.902 0.441 7.276) 8.268 4.293 ( -10.323 -3.350 6.764) 12.788 4.508 ( -10.075 3.599 -2.035) 10.891 4.548 ( -2.826 1.982 -1.311) 3.692 4.625 ( 6.675 1.072 0.162) 6.762 4.739 ( 3.560 -6.936 0.633) 7.822 4.824 ( 8.232 4.573 -3.532) 10.058 4.916 ( 9.373 -3.138 -4.201) 10.740 5.127 ( -6.902 7.599 8.419) 13.276 5.253 ( -0.860 -3.245 6.618) 7.421 5.448 ( 3.195 3.870 -0.737) 5.072 5.502 ( 2.927 -1.399 -5.121) 6.062 5.827 ( -3.173 0.853 2.903) 4.385 5.850 ( -2.177 -1.233 2.488) 3.529 6.223 ( 1.708 0.600 -3.305) 3.768 6.249 ( 1.276 -1.806 -5.083) 5.543 6.985 ( -3.194 4.073 -0.024) 5.176 7.045 ( -3.336 0.189 0.015) 3.342 7.095 ( 0.913 0.154 0.869) 1.270 7.124 ( -0.166 0.310 -1.717) 1.753 7.170 ( 4.530 2.817 -0.435) 5.352 7.207 ( 3.125 -0.424 -1.379) 3.442 7.256 ( 3.031 -2.772 -5.485) 6.852 7.290 ( 3.621 -4.858 -4.800) 7.730 7.532 ( 0.218 4.432 1.152) 4.584 7.625 ( 4.925 -0.028 -0.606) 4.962 7.672 ( 3.298 -3.887 -1.146) 5.225 7.716 ( 0.546 -3.241 -3.607) 4.880 8.177 ( -2.973 4.508 4.613) 7.102 8.228 ( 2.183 0.390 3.762) 4.367 8.262 ( -2.940 0.938 0.831) 3.195 8.305 ( -3.839 -3.168 -2.217) 5.449 8.450 ( -4.963 -0.054 -1.187) 5.103 8.491 ( -1.818 -3.710 -0.620) 4.178 8.572 ( 4.932 -0.405 4.323) 6.571 8.587 ( 4.458 -0.913 1.218) 4.710 8.936 ( 0.131 3.683 13.208) 13.713 9.018 ( -1.932 -2.781 13.257) 13.683 9.124 ( -1.104 6.457 4.076) 7.716 9.305 ( 2.032 -9.141 7.062) 11.729 9.513 ( -4.275 2.273 -6.730) 8.291 9.564 ( -5.959 -2.230 -3.511) 7.267 9.695 ( 7.908 2.233 -19.257) 20.937 9.793 ( 6.043 -4.661 -14.414) 16.310 10.771 ( -6.074 2.176 3.554) 7.366 10.809 ( -4.901 1.227 0.640) 5.093 10.839 ( 4.819 -0.618 8.090) 9.437 10.919 ( 3.951 -4.605 0.403) 6.081 11.460 ( -3.752 7.984 7.446) 11.544 11.604 ( -3.334 -2.873 7.675) 8.847 11.688 ( 1.559 9.791 -6.164) 11.674 11.882 ( -1.916 -5.525 -13.150) 14.392 12.024 ( -2.731 4.454 4.785) 7.085 12.096 ( -7.658 -2.897 7.057) 10.809 12.219 ( 4.695 6.100 -2.717) 8.163 12.406 ( 7.306 -9.994 -5.152) 13.409 13.277 ( -2.370 7.352 11.407) 13.776 13.422 ( -8.574 4.822 -6.007) 11.526 13.448 ( -3.224 -6.388 6.831) 9.892 13.527 ( -11.136 -2.759 -6.237) 13.058 13.892 ( 6.690 1.937 -1.256) 7.077 13.908 ( 10.077 -0.304 -2.140) 10.306 14.144 ( 5.826 -2.693 -3.654) 7.386 14.179 ( 11.067 -4.766 -1.616) 12.158 14.668 ( -10.818 1.231 1.787) 11.034 14.731 ( -5.707 -4.893 1.216) 7.615 15.020 ( 0.206 2.328 -3.171) 3.939 15.089 ( 3.671 -3.857 -4.987) 7.296 17.345 ( -1.280 1.367 10.694) 10.857 17.371 ( -0.599 -1.033 10.330) 10.399 17.648 ( 1.746 1.186 -6.521) 6.854 17.662 ( 1.784 -0.293 -6.535) 6.780 18.974 ( 1.924 1.692 6.188) 6.697 19.012 ( 1.592 -1.760 5.317) 5.823 19.103 ( 0.601 1.807 -4.601) 4.980 19.161 ( 1.820 -3.609 -5.647) 6.944 21.581 ( 0.660 1.048 0.274) 1.269 21.617 ( 3.923 -2.259 0.106) 4.528 22.035 ( 3.599 1.351 -0.006) 3.844 22.050 ( 4.759 0.023 -0.018) 4.759 23.226 ( -5.993 0.047 4.456) 7.468 23.238 ( -5.774 -1.140 3.875) 7.047 23.704 ( -3.428 2.234 -4.715) 6.243 23.734 ( -2.175 -0.598 -6.264) 6.657 ======================= Grid point 124 (71/72) ======================= q-point: (-0.29 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.995 ( 2.608 11.864 9.910) 15.677 2.114 ( 3.368 2.630 -1.776) 4.627 2.320 ( 5.320 -0.151 -2.211) 5.763 2.342 ( 4.524 0.492 -2.685) 5.284 2.364 ( -5.481 12.711 4.285) 14.490 2.535 ( -1.322 3.398 0.523) 3.683 2.629 ( -0.704 -2.925 0.952) 3.155 2.707 ( -2.651 -3.196 1.954) 4.589 2.806 ( -1.788 -0.825 -3.971) 4.432 2.863 ( 0.039 -2.587 5.939) 6.478 2.879 ( -2.487 -1.880 -3.125) 4.414 2.943 ( 0.851 -4.175 -5.596) 7.034 3.065 ( 0.841 5.731 -5.669) 8.104 3.132 ( -2.682 2.123 -3.918) 5.201 3.165 ( 1.240 -1.694 0.510) 2.161 3.261 ( -0.028 -2.870 2.148) 3.585 3.312 ( -1.605 -3.958 -3.823) 5.732 3.376 ( -1.630 -7.362 1.361) 7.662 3.542 ( 3.187 4.842 -0.118) 5.798 3.605 ( -1.867 -0.509 -3.452) 3.957 3.696 ( -10.882 6.701 3.337) 13.208 3.837 ( -11.707 -2.110 3.886) 12.514 3.899 ( -11.539 -2.110 0.416) 11.738 3.976 ( -6.552 -10.776 3.821) 13.178 4.231 ( -4.617 6.954 0.838) 8.390 4.293 ( -2.782 6.635 -1.824) 7.423 4.364 ( 6.112 -3.989 2.926) 7.863 4.453 ( -0.924 -3.429 -3.297) 4.846 4.701 ( -1.228 -0.795 -1.632) 2.192 4.745 ( -5.651 -3.653 5.683) 8.808 4.951 ( 4.094 4.367 -1.445) 6.158 5.052 ( 4.721 -3.968 -6.329) 8.837 5.093 ( 5.008 8.937 4.159) 11.056 5.281 ( 4.148 -7.651 5.865) 10.495 5.509 ( 2.022 3.636 2.078) 4.650 5.555 ( 1.766 -0.232 -1.766) 2.508 5.779 ( -0.927 0.793 0.296) 1.255 5.804 ( -1.819 -1.531 1.408) 2.763 6.237 ( -0.145 -0.138 -2.549) 2.557 6.259 ( -0.109 -2.318 -4.467) 5.034 6.946 ( -3.094 4.266 0.457) 5.290 7.009 ( 1.258 2.733 0.136) 3.011 7.046 ( -4.756 2.534 -0.992) 5.480 7.151 ( 2.741 -3.351 1.842) 4.705 7.255 ( 3.965 3.550 1.707) 5.589 7.298 ( 5.805 0.789 -2.309) 6.297 7.364 ( 5.771 -5.103 -4.456) 8.900 7.388 ( 6.675 -4.639 -5.151) 9.623 7.598 ( 6.136 5.053 0.016) 7.949 7.696 ( 2.215 -3.023 -1.720) 4.124 7.759 ( 6.142 -1.729 -2.231) 6.760 7.783 ( 5.473 -5.978 1.048) 8.172 8.076 ( -5.103 6.855 -0.160) 8.547 8.174 ( -5.230 0.167 1.446) 5.428 8.250 ( -2.328 0.966 1.125) 2.760 8.288 ( 3.564 3.729 2.154) 5.590 8.368 ( -4.368 -2.781 -2.070) 5.577 8.397 ( -5.347 -4.502 2.189) 7.325 8.653 ( 1.684 -1.784 2.582) 3.562 8.680 ( 3.224 -4.325 6.294) 8.290 9.003 ( 5.124 3.723 5.218) 8.207 9.032 ( 3.254 0.140 6.607) 7.366 9.126 ( 2.121 7.979 7.163) 10.931 9.338 ( 1.503 -9.982 4.558) 11.076 9.409 ( -7.153 1.491 -2.007) 7.577 9.431 ( -4.810 0.457 -4.726) 6.758 9.843 ( 5.906 0.483 -14.946) 16.078 9.887 ( 4.258 -2.690 -13.838) 14.726 10.625 ( -7.984 7.108 1.544) 10.801 10.702 ( -6.121 2.372 -4.103) 7.741 10.921 ( 4.022 -3.325 7.342) 9.008 10.978 ( 1.561 -7.753 3.693) 8.728 11.390 ( -3.643 9.269 7.064) 12.210 11.523 ( -4.879 -0.855 7.249) 8.780 11.685 ( -1.818 6.126 -4.842) 8.017 11.805 ( -5.281 -3.604 -11.252) 12.942 11.957 ( -5.315 3.519 1.069) 6.464 12.008 ( -2.444 -2.467 2.062) 4.039 12.331 ( 7.009 7.649 3.065) 10.818 12.537 ( 5.666 -10.671 -2.351) 12.309 13.199 ( -4.394 6.405 7.990) 11.143 13.249 ( -7.030 2.256 -3.073) 7.997 13.322 ( -8.066 -2.416 -4.602) 9.596 13.346 ( -4.378 -5.960 0.680) 7.427 14.073 ( 10.266 3.479 3.501) 11.391 14.160 ( 12.763 -3.650 -1.375) 13.346 14.272 ( 1.468 4.078 -2.837) 5.180 14.373 ( 0.366 -2.266 -2.840) 3.652 14.469 ( -1.385 2.166 2.638) 3.684 14.583 ( -4.842 -8.394 0.143) 9.692 15.007 ( -1.635 2.676 -3.035) 4.364 15.104 ( -1.873 -5.730 -3.986) 7.227 17.325 ( -0.368 1.271 7.847) 7.958 17.359 ( -0.389 -1.817 8.469) 8.671 17.702 ( 3.432 0.982 -4.234) 5.538 17.720 ( 3.614 -0.932 -3.854) 5.365 19.033 ( 3.944 1.040 6.028) 7.279 19.065 ( 3.513 -1.620 4.970) 6.299 19.138 ( 2.854 1.708 -4.350) 5.476 19.210 ( 2.962 -5.126 -5.651) 8.185 21.645 ( 5.922 3.504 0.412) 6.893 21.722 ( 6.753 -3.655 0.298) 7.684 22.178 ( 10.600 1.839 -0.142) 10.760 22.193 ( 9.490 0.398 -0.399) 9.507 23.021 ( -14.938 0.399 3.655) 15.384 23.042 ( -13.718 -1.760 2.870) 14.125 23.587 ( -8.070 3.519 -3.894) 9.627 23.635 ( -7.703 -0.896 -5.674) 9.610 ======================= Grid point 125 (72/72) ======================= q-point: (-0.14 0.43 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 0.00e+00 0.00e+00 0.00e+00 0.00e+00 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 6.24e-05 6.24e-05 6.24e-05 6.24e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 4.65e-08 Number of triplets: 123 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.086 ( 5.291 14.203 13.195) 20.095 2.179 ( -0.459 13.441 7.537) 15.417 2.271 ( 1.864 7.452 -0.008) 7.682 2.361 ( -0.347 7.532 -3.254) 8.212 2.454 ( 4.825 -3.521 -3.810) 7.085 2.534 ( -0.819 -7.468 2.932) 8.065 2.569 ( -4.298 -2.534 0.384) 5.004 2.647 ( -0.809 -2.909 1.517) 3.379 2.789 ( -0.510 -1.910 -3.536) 4.051 2.830 ( -2.019 -5.211 -3.653) 6.677 2.916 ( 4.427 3.205 -1.370) 5.635 2.995 ( 2.268 -2.542 -5.472) 6.445 3.044 ( -1.725 -0.393 -4.452) 4.790 3.111 ( 0.402 6.192 -4.377) 7.594 3.131 ( -3.473 -2.780 -4.437) 6.283 3.203 ( -9.419 6.731 3.642) 12.137 3.316 ( 3.252 -7.032 -2.348) 8.095 3.328 ( -2.475 -4.564 3.054) 6.023 3.445 ( -6.063 6.920 3.087) 9.705 3.551 ( -6.855 -4.020 -0.181) 7.949 3.615 ( -5.926 4.078 0.910) 7.251 3.689 ( 0.784 0.926 4.988) 5.134 3.763 ( 2.217 -1.505 -0.855) 2.812 3.852 ( -6.501 -5.507 -1.012) 8.580 4.140 ( -1.384 4.118 -0.712) 4.403 4.218 ( -5.290 1.468 2.419) 5.999 4.417 ( -2.607 -4.385 1.602) 5.348 4.461 ( -5.234 -7.995 1.379) 9.655 4.664 ( 3.303 -0.334 -0.348) 3.338 4.697 ( 2.598 -2.286 -2.969) 4.560 5.023 ( 3.125 4.946 -1.021) 5.939 5.097 ( -0.539 0.943 -2.473) 2.701 5.207 ( 5.795 1.709 2.213) 6.435 5.329 ( -0.393 -6.905 8.611) 11.045 5.518 ( -0.455 3.968 -0.124) 3.996 5.588 ( 1.720 -1.946 -4.699) 5.369 5.788 ( 1.243 0.639 0.582) 1.514 5.803 ( 1.432 -0.627 1.259) 2.007 6.224 ( -0.989 -0.624 -0.190) 1.184 6.252 ( -0.332 -3.149 -3.559) 4.763 6.872 ( -3.482 4.697 -0.462) 5.865 6.940 ( -5.014 0.479 -2.685) 5.708 7.083 ( 4.880 3.808 2.646) 6.732 7.214 ( 3.382 -6.484 3.781) 8.232 7.319 ( 2.289 4.217 1.729) 5.100 7.386 ( 2.299 -0.899 -1.185) 2.738 7.449 ( 3.058 -2.586 -3.322) 5.203 7.491 ( 3.098 -3.552 -6.262) 7.837 7.706 ( 3.322 1.749 0.426) 3.778 7.756 ( 4.675 -0.183 -1.169) 4.823 7.833 ( 2.325 -0.317 1.344) 2.704 7.915 ( 6.238 -5.110 0.796) 8.103 8.016 ( -2.090 6.564 3.194) 7.593 8.120 ( 0.963 -1.620 -1.285) 2.281 8.177 ( -3.360 4.022 0.627) 5.278 8.262 ( -2.654 -3.180 -1.009) 4.263 8.334 ( -2.280 1.833 0.858) 3.048 8.423 ( 6.817 -2.381 0.949) 7.283 8.602 ( -6.156 -0.303 0.244) 6.169 8.694 ( -2.067 -6.050 1.973) 6.691 9.059 ( 0.950 6.145 5.214) 8.115 9.152 ( 6.999 -1.476 5.332) 8.922 9.204 ( 4.421 7.549 1.166) 8.826 9.285 ( -1.841 3.924 -1.340) 4.537 9.352 ( -3.079 -0.796 3.548) 4.765 9.414 ( 3.436 -8.015 1.908) 8.927 9.892 ( 0.736 1.359 -9.653) 9.776 9.933 ( -0.368 -2.853 -11.915) 12.257 10.511 ( -3.461 7.307 -1.354) 8.198 10.578 ( -6.402 2.580 -6.633) 9.573 10.979 ( 0.625 -1.966 9.004) 9.237 11.022 ( 5.339 -6.670 8.961) 12.382 11.326 ( -3.205 8.258 2.974) 9.344 11.426 ( -5.486 -0.183 5.818) 7.999 11.628 ( -3.971 2.996 -7.741) 9.201 11.689 ( -5.336 -3.217 -11.639) 13.202 11.868 ( -3.505 5.870 2.141) 7.164 11.947 ( -3.184 -1.927 -0.545) 3.761 12.456 ( 4.962 5.317 2.487) 7.687 12.604 ( 1.202 -7.833 -2.616) 8.345 13.150 ( 0.177 4.083 5.855) 7.141 13.190 ( 0.188 -1.063 0.164) 1.091 13.256 ( 1.079 -0.494 -2.761) 3.005 13.321 ( 1.135 -4.684 -1.572) 5.069 14.087 ( -11.222 8.343 -1.453) 14.059 14.135 ( -10.420 3.277 -5.310) 12.145 14.299 ( 5.220 -0.817 5.633) 7.723 14.375 ( 6.040 -5.703 2.768) 8.756 14.570 ( 5.429 -0.089 4.775) 7.230 14.638 ( 4.078 -6.565 0.829) 7.773 14.982 ( -0.157 0.987 -5.382) 5.474 15.047 ( -2.967 -4.651 -5.102) 7.514 17.336 ( 0.923 0.823 7.007) 7.115 17.365 ( 0.566 -1.814 6.740) 7.003 17.761 ( 2.473 0.136 -2.502) 3.520 17.782 ( 2.692 -1.929 -3.326) 4.694 19.113 ( 3.608 -0.052 6.040) 7.036 19.129 ( 2.410 -0.934 5.509) 6.086 19.199 ( 3.366 0.085 -4.749) 5.822 19.259 ( 2.023 -5.964 -5.698) 8.493 21.793 ( 8.755 3.678 0.956) 9.544 21.861 ( 7.159 -2.762 0.533) 7.692 22.360 ( 7.204 3.905 -0.437) 8.206 22.413 ( 12.091 -0.861 -0.684) 12.141 22.698 ( -17.158 2.717 1.922) 17.477 22.772 ( -12.598 -4.439 1.061) 13.399 23.423 ( -8.046 4.245 -2.243) 9.369 23.464 ( -8.838 0.523 -4.668) 10.009 =================== 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 3/26460 10.0 3919.595 2536.187 3386.316 0.000 50.177 0.000 3/26460 20.0 510.401 400.573 416.856 0.000 12.879 0.000 3/26460 30.0 172.223 138.244 143.284 0.000 4.046 0.000 3/26460 40.0 87.542 70.617 73.023 0.000 1.791 0.000 3/26460 50.0 54.204 43.766 45.170 0.000 0.996 0.000 3/26460 60.0 37.499 30.304 31.234 0.000 0.645 0.000 3/26460 70.0 27.878 22.560 23.228 0.000 0.462 0.000 3/26460 80.0 21.815 17.686 18.192 0.000 0.353 0.000 3/26460 90.0 17.739 14.409 14.810 0.000 0.283 0.000 3/26460 100.0 14.859 12.092 12.421 0.000 0.234 0.000 3/26460 110.0 12.742 10.387 10.663 0.000 0.199 0.000 3/26460 120.0 11.133 9.090 9.327 0.000 0.172 0.000 3/26460 130.0 9.876 8.074 8.283 0.000 0.151 0.000 3/26460 140.0 8.871 7.261 7.448 0.000 0.134 0.000 3/26460 150.0 8.052 6.597 6.766 0.000 0.121 0.000 3/26460 160.0 7.373 6.045 6.200 0.000 0.110 0.000 3/26460 170.0 6.801 5.579 5.724 0.000 0.100 0.000 3/26460 180.0 6.314 5.182 5.317 0.000 0.093 0.000 3/26460 190.0 5.894 4.838 4.965 0.000 0.086 0.000 3/26460 200.0 5.528 4.538 4.659 0.000 0.080 0.000 3/26460 210.0 5.206 4.274 4.390 0.000 0.075 0.000 3/26460 220.0 4.922 4.040 4.151 0.000 0.070 0.000 3/26460 230.0 4.668 3.831 3.938 0.000 0.066 0.000 3/26460 240.0 4.440 3.644 3.746 0.000 0.062 0.000 3/26460 250.0 4.234 3.474 3.573 0.000 0.059 0.000 3/26460 260.0 4.048 3.320 3.416 0.000 0.056 0.000 3/26460 270.0 3.877 3.179 3.273 0.000 0.053 0.000 3/26460 280.0 3.722 3.051 3.141 0.000 0.051 0.000 3/26460 290.0 3.579 2.932 3.020 0.000 0.049 0.000 3/26460 300.0 3.446 2.823 2.909 0.000 0.047 0.000 3/26460 310.0 3.324 2.722 2.806 0.000 0.045 0.000 3/26460 320.0 3.211 2.628 2.710 0.000 0.043 0.000 3/26460 330.0 3.105 2.540 2.620 0.000 0.042 0.000 3/26460 340.0 3.006 2.458 2.537 0.000 0.040 0.000 3/26460 350.0 2.914 2.382 2.459 0.000 0.039 0.000 3/26460 360.0 2.827 2.310 2.385 0.000 0.038 0.000 3/26460 370.0 2.745 2.242 2.316 0.000 0.036 0.000 3/26460 380.0 2.669 2.179 2.251 0.000 0.035 0.000 3/26460 390.0 2.596 2.119 2.190 0.000 0.034 0.000 3/26460 400.0 2.528 2.062 2.132 0.000 0.033 0.000 3/26460 410.0 2.463 2.009 2.077 0.000 0.032 0.000 3/26460 420.0 2.401 1.958 2.025 0.000 0.031 0.000 3/26460 430.0 2.343 1.910 1.976 0.000 0.030 0.000 3/26460 440.0 2.287 1.864 1.929 0.000 0.030 0.000 3/26460 450.0 2.234 1.820 1.884 0.000 0.029 0.000 3/26460 460.0 2.184 1.778 1.841 0.000 0.028 0.000 3/26460 470.0 2.135 1.739 1.800 0.000 0.028 0.000 3/26460 480.0 2.089 1.701 1.761 0.000 0.027 0.000 3/26460 490.0 2.045 1.664 1.724 0.000 0.026 0.000 3/26460 500.0 2.003 1.629 1.688 0.000 0.026 0.000 3/26460 510.0 1.963 1.596 1.654 0.000 0.025 0.000 3/26460 520.0 1.924 1.564 1.621 0.000 0.025 0.000 3/26460 530.0 1.886 1.533 1.590 0.000 0.024 0.000 3/26460 540.0 1.850 1.504 1.559 0.000 0.024 0.000 3/26460 550.0 1.816 1.476 1.530 0.000 0.023 0.000 3/26460 560.0 1.783 1.448 1.502 0.000 0.023 0.000 3/26460 570.0 1.751 1.422 1.475 0.000 0.022 0.000 3/26460 580.0 1.720 1.397 1.449 0.000 0.022 0.000 3/26460 590.0 1.690 1.372 1.424 0.000 0.021 0.000 3/26460 600.0 1.661 1.349 1.399 0.000 0.021 0.000 3/26460 610.0 1.633 1.326 1.376 0.000 0.021 0.000 3/26460 620.0 1.607 1.304 1.353 0.000 0.020 0.000 3/26460 630.0 1.581 1.283 1.331 0.000 0.020 0.000 3/26460 640.0 1.556 1.262 1.310 0.000 0.020 0.000 3/26460 650.0 1.531 1.242 1.289 0.000 0.019 0.000 3/26460 660.0 1.508 1.223 1.269 0.000 0.019 0.000 3/26460 670.0 1.485 1.204 1.250 0.000 0.019 0.000 3/26460 680.0 1.463 1.186 1.231 0.000 0.018 0.000 3/26460 690.0 1.441 1.168 1.213 0.000 0.018 0.000 3/26460 700.0 1.420 1.151 1.196 0.000 0.018 0.000 3/26460 710.0 1.400 1.135 1.178 0.000 0.018 0.000 3/26460 720.0 1.380 1.118 1.162 0.000 0.017 0.000 3/26460 730.0 1.361 1.103 1.146 0.000 0.017 0.000 3/26460 740.0 1.342 1.088 1.130 0.000 0.017 0.000 3/26460 750.0 1.324 1.073 1.115 0.000 0.017 0.000 3/26460 760.0 1.307 1.058 1.100 0.000 0.016 0.000 3/26460 770.0 1.289 1.044 1.085 0.000 0.016 0.000 3/26460 780.0 1.273 1.031 1.071 0.000 0.016 0.000 3/26460 790.0 1.256 1.018 1.057 0.000 0.016 0.000 3/26460 800.0 1.241 1.005 1.044 0.000 0.015 0.000 3/26460 810.0 1.225 0.992 1.031 0.000 0.015 0.000 3/26460 820.0 1.210 0.980 1.018 0.000 0.015 0.000 3/26460 830.0 1.195 0.968 1.006 0.000 0.015 0.000 3/26460 840.0 1.181 0.956 0.994 0.000 0.015 0.000 3/26460 850.0 1.167 0.945 0.982 0.000 0.014 0.000 3/26460 860.0 1.153 0.933 0.970 0.000 0.014 0.000 3/26460 870.0 1.140 0.922 0.959 0.000 0.014 0.000 3/26460 880.0 1.127 0.912 0.948 0.000 0.014 0.000 3/26460 890.0 1.114 0.901 0.937 0.000 0.014 0.000 3/26460 900.0 1.102 0.891 0.927 0.000 0.014 0.000 3/26460 910.0 1.089 0.881 0.916 0.000 0.013 0.000 3/26460 920.0 1.077 0.872 0.906 0.000 0.013 0.000 3/26460 930.0 1.066 0.862 0.897 0.000 0.013 0.000 3/26460 940.0 1.054 0.853 0.887 0.000 0.013 0.000 3/26460 950.0 1.043 0.844 0.878 0.000 0.013 0.000 3/26460 960.0 1.032 0.835 0.868 0.000 0.013 0.000 3/26460 970.0 1.021 0.826 0.859 0.000 0.013 0.000 3/26460 980.0 1.011 0.818 0.850 0.000 0.012 0.000 3/26460 990.0 1.001 0.809 0.842 0.000 0.012 0.000 3/26460 1000.0 0.991 0.801 0.833 0.000 0.012 0.000 3/26460 Thermal conductivity related properties were written into "kappa-m775.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 04:45:14]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|